smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nnc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000173731258 231016967 /nfs/dbraw/zinc/01/69/67/231016967.db2.gz JJJVUBZTEYCPMU-UHFFFAOYSA-N 0 0 346.290 3.280 40 5 EGBBRN CCSc1nnc(NC(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)s1 ZINC000040549714 213347427 /nfs/dbraw/zinc/34/74/27/213347427.db2.gz KVMSDKFHTUYFDU-UHFFFAOYSA-N 0 0 342.377 3.258 40 5 EGBBRN CCOc1cccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000020455280 202043000 /nfs/dbraw/zinc/04/30/00/202043000.db2.gz FNIIXTDJUNVAQU-DHZHZOJOSA-N 0 0 326.352 3.323 40 5 EGBBRN CCOCCCNC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000036627475 202328026 /nfs/dbraw/zinc/32/80/26/202328026.db2.gz VEMJUIQQBCMLSQ-UHFFFAOYSA-N 0 0 325.364 3.103 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(SC)s1 ZINC000036630601 202328283 /nfs/dbraw/zinc/32/82/83/202328283.db2.gz QWPAXYOAQZQBMV-UHFFFAOYSA-N 0 0 329.428 3.469 40 5 EGBBRN CCSc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000078149458 202395139 /nfs/dbraw/zinc/39/51/39/202395139.db2.gz RSNTVKGXBDQYCD-UHFFFAOYSA-N 0 0 329.381 3.305 40 5 EGBBRN CC(C)(COCc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000252492690 243801532 /nfs/dbraw/zinc/80/15/32/243801532.db2.gz MSFDCKFPGGDTPM-UHFFFAOYSA-N 0 0 328.368 3.320 40 5 EGBBRN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000041095189 204001373 /nfs/dbraw/zinc/00/13/73/204001373.db2.gz YGRSAFARKSDZHD-SNVBAGLBSA-N 0 0 340.788 3.288 40 5 EGBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1 ZINC000151431344 205642215 /nfs/dbraw/zinc/64/22/15/205642215.db2.gz MJNMVQSRJMJHSB-UHFFFAOYSA-N 0 0 349.778 3.383 40 5 EGBBRN O=[N+]([O-])c1cnc(N2CCC(Nc3cccnc3)CC2)c(Cl)c1 ZINC000096412872 218769804 /nfs/dbraw/zinc/76/98/04/218769804.db2.gz KEQGWXGVFWYZME-UHFFFAOYSA-N 0 0 333.779 3.119 40 5 EGBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc2c(c1)OCO2 ZINC000072228663 257913854 /nfs/dbraw/zinc/91/38/54/257913854.db2.gz RUZLOIBDUIJSSO-UHFFFAOYSA-N 0 0 328.324 3.447 40 5 EGBBRN O=[N+]([O-])c1c(F)cccc1N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000153981921 304797668 /nfs/dbraw/zinc/79/76/68/304797668.db2.gz XJYLHKLBDOZGLN-RHSMWYFYSA-N 0 0 346.358 3.063 40 5 EGBBRN COc1ccc([C@H](C)N(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000242181 452545813 /nfs/dbraw/zinc/54/58/13/452545813.db2.gz WEELNCJXFZIVMY-LBPRGKRZSA-N 0 0 344.367 3.445 40 5 EGBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1 ZINC000001671146 452672809 /nfs/dbraw/zinc/67/28/09/452672809.db2.gz KERXJRVFGPTLCU-UHFFFAOYSA-N 0 0 331.271 3.446 40 5 EGBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 ZINC000003506650 452773829 /nfs/dbraw/zinc/77/38/29/452773829.db2.gz WMEAGTWRAVALBO-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN Cc1cc(C)c(NC(=S)NC(=O)C=Cc2ccco2)c([N+](=O)[O-])c1 ZINC000003878131 452786390 /nfs/dbraw/zinc/78/63/90/452786390.db2.gz DFSDTFAZEXPKBR-AATRIKPKSA-N 0 0 345.380 3.331 40 5 EGBBRN CSc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000007363475 453064969 /nfs/dbraw/zinc/06/49/69/453064969.db2.gz UDJZHFVNTAIUKH-UHFFFAOYSA-N 0 0 338.410 3.426 40 5 EGBBRN COc1ccc(C(=O)OCCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000007605059 453091571 /nfs/dbraw/zinc/09/15/71/453091571.db2.gz RYUNMIIRPQBTPC-UHFFFAOYSA-N 0 0 331.324 3.148 40 5 EGBBRN CC[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000007650904 453097243 /nfs/dbraw/zinc/09/72/43/453097243.db2.gz GGGFCMRUICFBDG-AWEZNQCLSA-N 0 0 342.351 3.270 40 5 EGBBRN COc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008389307 453199579 /nfs/dbraw/zinc/19/95/79/453199579.db2.gz UCSZYENUMZSATA-UHFFFAOYSA-N 0 0 335.747 3.307 40 5 EGBBRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CC1 ZINC000011201655 453314353 /nfs/dbraw/zinc/31/43/53/453314353.db2.gz RAQGDWGKQKQXGD-GOSISDBHSA-N 0 0 326.352 3.241 40 5 EGBBRN O=C(/C=C\c1ccccc1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000017023855 453626076 /nfs/dbraw/zinc/62/60/76/453626076.db2.gz IMGCIKFSFOKNJN-TWGQIWQCSA-N 0 0 345.355 3.260 40 5 EGBBRN O=[N+]([O-])c1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2SCCN21 ZINC000068561752 454036893 /nfs/dbraw/zinc/03/68/93/454036893.db2.gz JSVJXSLTIWCVSX-LSDHHAIUSA-N 0 0 326.381 3.191 40 5 EGBBRN O=C(c1cc2ccccc2o1)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642340 454463459 /nfs/dbraw/zinc/46/34/59/454463459.db2.gz WGJNHBHTXCGCGG-UHFFFAOYSA-N 0 0 335.319 3.420 40 5 EGBBRN Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000113139713 454915147 /nfs/dbraw/zinc/91/51/47/454915147.db2.gz IRUIXXKXGJMSNF-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(N(C)C)ccn1 ZINC000130044419 455139596 /nfs/dbraw/zinc/13/95/96/455139596.db2.gz BCSAUXGQHNCXBY-UHFFFAOYSA-N 0 0 342.399 3.107 40 5 EGBBRN CN(C[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160250894 455441861 /nfs/dbraw/zinc/44/18/61/455441861.db2.gz SPVZLCJRWFWSQJ-SECBINFHSA-N 0 0 347.293 3.114 40 5 EGBBRN CCN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224743683 456070053 /nfs/dbraw/zinc/07/00/53/456070053.db2.gz SIYYDPUKKCDJHJ-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCC1(CC1)CO2 ZINC000225366315 456078858 /nfs/dbraw/zinc/07/88/58/456078858.db2.gz HNNJJIWZQUSTKO-UHFFFAOYSA-N 0 0 340.335 3.399 40 5 EGBBRN O=[N+]([O-])c1ccc2c(c1N1CCC(Nc3nccs3)CC1)CCN2 ZINC000225516016 456088387 /nfs/dbraw/zinc/08/83/87/456088387.db2.gz ANTTWZBEAALQEB-UHFFFAOYSA-N 0 0 345.428 3.100 40 5 EGBBRN Cc1noc(COc2ccc(Oc3ncc([N+](=O)[O-])s3)cc2)n1 ZINC000390835286 457447923 /nfs/dbraw/zinc/44/79/23/457447923.db2.gz JIYMSOKMBMSGLO-UHFFFAOYSA-N 0 0 334.313 3.114 40 5 EGBBRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000408526738 457581168 /nfs/dbraw/zinc/58/11/68/457581168.db2.gz ASWCFTPRVGHVPR-UHFFFAOYSA-N 0 0 339.282 3.410 40 5 EGBBRN COc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000014257697 546516994 /nfs/dbraw/zinc/51/69/94/546516994.db2.gz VKMJUTDHZARHAQ-UHFFFAOYSA-N 0 0 345.380 3.039 40 5 EGBBRN CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1C(C)C ZINC000020033770 202029495 /nfs/dbraw/zinc/02/94/95/202029495.db2.gz AYIDHUZBPVUGJL-UHFFFAOYSA-N 0 0 334.401 3.305 40 5 EGBBRN COc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000020456442 202043154 /nfs/dbraw/zinc/04/31/54/202043154.db2.gz PTTJYRMSYHBNDT-LLVKDONJSA-N 0 0 346.339 3.018 40 5 EGBBRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccnc1)C1CC1 ZINC000032970117 202245162 /nfs/dbraw/zinc/24/51/62/202245162.db2.gz BDWSPSYKIPCIFR-UHFFFAOYSA-N 0 0 331.759 3.448 40 5 EGBBRN CCOc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1 ZINC000073642350 202370215 /nfs/dbraw/zinc/37/02/15/202370215.db2.gz DHNNNTZYJIBPPE-UHFFFAOYSA-N 0 0 339.351 3.073 40 5 EGBBRN COC(=O)c1c(C)n(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000216959678 241227039 /nfs/dbraw/zinc/22/70/39/241227039.db2.gz VHUUGLZYNCGSLC-UHFFFAOYSA-N 0 0 338.319 3.333 40 5 EGBBRN O=C(NCCCN1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000217868527 241281690 /nfs/dbraw/zinc/28/16/90/241281690.db2.gz CFEHELVUAHJZEP-UHFFFAOYSA-N 0 0 339.395 3.168 40 5 EGBBRN CC(C)N1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000060362916 202781504 /nfs/dbraw/zinc/78/15/04/202781504.db2.gz RDRGLNLNONLKJE-SNVBAGLBSA-N 0 0 331.294 3.035 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCCc3ccccc32)c1 ZINC000021614199 212234273 /nfs/dbraw/zinc/23/42/73/212234273.db2.gz XNTJIHMIMUTUGE-UHFFFAOYSA-N 0 0 326.352 3.261 40 5 EGBBRN COc1cc(OCC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000066014343 202876298 /nfs/dbraw/zinc/87/62/98/202876298.db2.gz YABJTXDCWVPTMU-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCOC2(CCCCC2)C1 ZINC000225737698 296176275 /nfs/dbraw/zinc/17/62/75/296176275.db2.gz ZWGDVTKIHBWNNR-UHFFFAOYSA-N 0 0 340.326 3.048 40 5 EGBBRN O=C(/C=C/c1cccs1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000362961 205439854 /nfs/dbraw/zinc/43/98/54/205439854.db2.gz XMFGYAUGORAURR-VOTSOKGWSA-N 0 0 333.394 3.183 40 5 EGBBRN CN(CCC1CCOCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000095416571 218356238 /nfs/dbraw/zinc/35/62/38/218356238.db2.gz VUWYALCPLPYWPT-UHFFFAOYSA-N 0 0 344.209 3.005 40 5 EGBBRN Cc1ccccc1[C@@H](O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000096475373 218852677 /nfs/dbraw/zinc/85/26/77/218852677.db2.gz GHTHSEAETSPBOL-HNNXBMFYSA-N 0 0 334.759 3.020 40 5 EGBBRN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000034925937 285159436 /nfs/dbraw/zinc/15/94/36/285159436.db2.gz VJQFGSTUCORIQX-UHFFFAOYSA-N 0 0 335.117 3.402 40 5 EGBBRN COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)cc3)oc21 ZINC000216729713 277424772 /nfs/dbraw/zinc/42/47/72/277424772.db2.gz LLRLDXZQVPDBTJ-UHFFFAOYSA-N 0 0 328.280 3.198 40 5 EGBBRN COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1C ZINC000001626726 278058298 /nfs/dbraw/zinc/05/82/98/278058298.db2.gz OWINEJIJYHTIPT-UHFFFAOYSA-N 0 0 338.323 3.107 40 5 EGBBRN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000253417077 280359269 /nfs/dbraw/zinc/35/92/69/280359269.db2.gz MEHYCQCXJWMNBP-QWHCGFSZSA-N 0 0 337.738 3.095 40 5 EGBBRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000195567527 323888128 /nfs/dbraw/zinc/88/81/28/323888128.db2.gz NOODSLZVKWXSKP-LLVKDONJSA-N 0 0 344.415 3.480 40 5 EGBBRN Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000003526371 452776847 /nfs/dbraw/zinc/77/68/47/452776847.db2.gz HQUDIERJTNJPIA-UHFFFAOYSA-N 0 0 339.307 3.310 40 5 EGBBRN Cc1ccc2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000004891919 452824417 /nfs/dbraw/zinc/82/44/17/452824417.db2.gz HOLPHRCZNSEIRQ-UHFFFAOYSA-N 0 0 344.348 3.219 40 5 EGBBRN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000008092203 453161593 /nfs/dbraw/zinc/16/15/93/453161593.db2.gz ZUFWKVGTJVGFRS-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000014219334 453521409 /nfs/dbraw/zinc/52/14/09/453521409.db2.gz ALBWNEASWPWTNF-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN C[C@@H]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000016740163 453621278 /nfs/dbraw/zinc/62/12/78/453621278.db2.gz MGBOXFICZNIXQB-SNVBAGLBSA-N 0 0 331.397 3.357 40 5 EGBBRN CCOc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000025324054 453765779 /nfs/dbraw/zinc/76/57/79/453765779.db2.gz VGZYXYUODYNFOB-UHFFFAOYSA-N 0 0 336.373 3.221 40 5 EGBBRN COc1ccccc1Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000033765157 453917499 /nfs/dbraw/zinc/91/74/99/453917499.db2.gz FWAOHOOKLXUMNX-UHFFFAOYSA-N 0 0 325.324 3.199 40 5 EGBBRN CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055679492 454005520 /nfs/dbraw/zinc/00/55/20/454005520.db2.gz YFONDDQFIHTSKX-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN Cc1c(C(=O)NCc2ccc(-n3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000069390485 454100527 /nfs/dbraw/zinc/10/05/27/454100527.db2.gz KBOQZOOQFLHCLT-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN COc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000044948194 454128697 /nfs/dbraw/zinc/12/86/97/454128697.db2.gz CCCCGVCQUZYYKH-UHFFFAOYSA-N 0 0 348.380 3.343 40 5 EGBBRN COc1ccc(C)cc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000160095097 455428527 /nfs/dbraw/zinc/42/85/27/455428527.db2.gz LEWLMFWXOFLNAP-UHFFFAOYSA-N 0 0 333.369 3.038 40 5 EGBBRN O=C(c1ccc2[nH]cnc2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000096481643 454365167 /nfs/dbraw/zinc/36/51/67/454365167.db2.gz PVHXWQCMKDLBOQ-UHFFFAOYSA-N 0 0 336.351 3.276 40 5 EGBBRN O=c1c(Br)cn(Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000132877962 454374018 /nfs/dbraw/zinc/37/40/18/454374018.db2.gz GBNGFSDIMSHTNF-UHFFFAOYSA-N 0 0 343.564 3.221 40 5 EGBBRN Cc1cccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000223897557 456061748 /nfs/dbraw/zinc/06/17/48/456061748.db2.gz OEITXMPQNSSCJM-DHZHZOJOSA-N 0 0 340.379 3.420 40 5 EGBBRN COc1cccc(/C=C\[N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409084732 457593405 /nfs/dbraw/zinc/59/34/05/457593405.db2.gz QEDODVMOKNPIPV-KTKRTIGZSA-N 0 0 330.296 3.430 40 5 EGBBRN C[C@H](O)CCc1ccc([N+](=O)[O-])c(NCCOc2ccccc2)c1 ZINC000005393997 546509848 /nfs/dbraw/zinc/50/98/48/546509848.db2.gz MYZHRUQEXGJTOE-AWEZNQCLSA-N 0 0 330.384 3.399 40 5 EGBBRN CCOc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013672943 201906747 /nfs/dbraw/zinc/90/67/47/201906747.db2.gz JGYYITKODBJMHI-UHFFFAOYSA-N 0 0 328.368 3.356 40 5 EGBBRN COc1cc(OCC(=O)Nc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000022259413 202082605 /nfs/dbraw/zinc/08/26/05/202082605.db2.gz NUZGJYZZVWHCKR-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN COc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000039772461 202414945 /nfs/dbraw/zinc/41/49/45/202414945.db2.gz QDZVXHKGWGSJGO-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN COc1ccc(C(=O)n2c(C)c(CO)c3ccccc32)cc1[N+](=O)[O-] ZINC000216959368 241228051 /nfs/dbraw/zinc/22/80/51/241228051.db2.gz KVUITHMYBFUJLK-UHFFFAOYSA-N 0 0 340.335 3.047 40 5 EGBBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000217941924 241285043 /nfs/dbraw/zinc/28/50/43/241285043.db2.gz YPKJKJQDUPMUAD-CQSZACIVSA-N 0 0 328.368 3.409 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991359 242084559 /nfs/dbraw/zinc/08/45/59/242084559.db2.gz QQVMTXWYPKNGMI-UHFFFAOYSA-N 0 0 327.296 3.173 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000006314245 201677929 /nfs/dbraw/zinc/67/79/29/201677929.db2.gz CAWHOFYQMMKEAE-NSHDSACASA-N 0 0 338.360 3.082 40 5 EGBBRN CCOc1cc(NC(=O)NCc2ccoc2)c([N+](=O)[O-])cc1OCC ZINC000047798279 204338823 /nfs/dbraw/zinc/33/88/23/204338823.db2.gz WDWNGLJTQYABKM-UHFFFAOYSA-N 0 0 349.343 3.307 40 5 EGBBRN Cc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)o1 ZINC000000027705 205397032 /nfs/dbraw/zinc/39/70/32/205397032.db2.gz UNOAGQMFADJBKG-KPKJPENVSA-N 0 0 332.699 3.494 40 5 EGBBRN COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000006061518 205792805 /nfs/dbraw/zinc/79/28/05/205792805.db2.gz ICDVVYDAGFMMGU-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN O=C(c1ccc([N+](=O)[O-])o1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000153470922 284669851 /nfs/dbraw/zinc/66/98/51/284669851.db2.gz VSVZXOFWFGBZPH-UHFFFAOYSA-N 0 0 342.229 3.246 40 5 EGBBRN CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000012927690 207264981 /nfs/dbraw/zinc/26/49/81/207264981.db2.gz HRAAMLXICLSOLO-UHFFFAOYSA-N 0 0 327.340 3.422 40 5 EGBBRN COCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408925815 257885999 /nfs/dbraw/zinc/88/59/99/257885999.db2.gz QOTVHKNIBJLJEB-NBVRZTHBSA-N 0 0 340.379 3.288 40 5 EGBBRN COC[C@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408563511 257896884 /nfs/dbraw/zinc/89/68/84/257896884.db2.gz NTXLTPSGJGVQSM-QCUKBLKESA-N 0 0 340.379 3.287 40 5 EGBBRN CCc1ccc(OCC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000009141580 257861886 /nfs/dbraw/zinc/86/18/86/257861886.db2.gz CZHYFOBQPMDUBM-UHFFFAOYSA-N 0 0 330.340 3.183 40 5 EGBBRN O=[N+]([O-])c1ccn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)n1 ZINC000000426666 275040515 /nfs/dbraw/zinc/04/05/15/275040515.db2.gz HWZAZDVZHRLDIV-UHFFFAOYSA-N 0 0 341.274 3.318 40 5 EGBBRN CN(C)C(=S)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C ZINC000001737239 276762512 /nfs/dbraw/zinc/76/25/12/276762512.db2.gz MFFNLZSKUZCVGN-UHFFFAOYSA-N 0 0 327.362 3.026 40 5 EGBBRN COc1c(Br)cc(/C=C/[N+](=O)[O-])cc1Br ZINC000001565093 277779533 /nfs/dbraw/zinc/77/95/33/277779533.db2.gz PTMVGKBMVAWDNY-NSCUHMNNSA-N 0 0 336.967 3.468 40 5 EGBBRN Cc1c(I)ccc(Br)c1[N+](=O)[O-] ZINC000036532856 280240070 /nfs/dbraw/zinc/24/00/70/280240070.db2.gz AYRXYXOSVYMUCN-UHFFFAOYSA-N 0 0 341.930 3.270 40 5 EGBBRN NC(=O)c1cccc(N2CCC[C@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000252481130 295188042 /nfs/dbraw/zinc/18/80/42/295188042.db2.gz CHYYISOWILDMQX-HNNXBMFYSA-N 0 0 339.395 3.468 40 5 EGBBRN Cc1cc(NC(=O)c2ccnn2C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000097378963 323215918 /nfs/dbraw/zinc/21/59/18/323215918.db2.gz ZSRJNKSVRFEICK-UHFFFAOYSA-N 0 0 339.355 3.481 40 5 EGBBRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1 ZINC000003280539 452756859 /nfs/dbraw/zinc/75/68/59/452756859.db2.gz UHNYITHFIWVEQD-MRVPVSSYSA-N 0 0 338.703 3.025 40 5 EGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000003383852 452762822 /nfs/dbraw/zinc/76/28/22/452762822.db2.gz RMNODGWKACLJRI-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1c(F)cccc1Cl ZINC000003463990 452769820 /nfs/dbraw/zinc/76/98/20/452769820.db2.gz PGGBJNJKPSTWKW-UHFFFAOYSA-N 0 0 334.690 3.184 40 5 EGBBRN O=C(Oc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000004866498 452823153 /nfs/dbraw/zinc/82/31/53/452823153.db2.gz CBGRBPQXTWXZFG-UHFFFAOYSA-N 0 0 339.263 3.270 40 5 EGBBRN CC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000009752883 453261307 /nfs/dbraw/zinc/26/13/07/453261307.db2.gz JUPOUWRKGPNFFG-UHFFFAOYSA-N 0 0 328.324 3.123 40 5 EGBBRN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013671421 453479525 /nfs/dbraw/zinc/47/95/25/453479525.db2.gz XLLHVUUWUYEYAH-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(-c2ccco2)o1 ZINC000016419798 453605050 /nfs/dbraw/zinc/60/50/50/453605050.db2.gz LMTMXMNECIAHAX-LLVKDONJSA-N 0 0 328.328 3.431 40 5 EGBBRN COc1ccc(-c2noc(-c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 ZINC000020897742 453669924 /nfs/dbraw/zinc/66/99/24/453669924.db2.gz HRTWCCLPWBMRRK-UHFFFAOYSA-N 0 0 340.339 3.386 40 5 EGBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OC[C@H]2CO2)c1 ZINC000024522777 453736160 /nfs/dbraw/zinc/73/61/60/453736160.db2.gz AAWRZTSDESQMMQ-XVJNWHFHSA-N 0 0 349.346 3.486 40 5 EGBBRN O=[N+]([O-])c1c(NCCc2cccc3cccnc32)nc2ccccn21 ZINC000029627262 453830280 /nfs/dbraw/zinc/83/02/80/453830280.db2.gz HRFQRUXJGXQXEZ-UHFFFAOYSA-N 0 0 333.351 3.445 40 5 EGBBRN COC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000029749772 453831211 /nfs/dbraw/zinc/83/12/11/453831211.db2.gz SVGQTLBBNJDPLJ-UXBLZVDNSA-N 0 0 343.335 3.369 40 5 EGBBRN CCc1nc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000036783883 453931809 /nfs/dbraw/zinc/93/18/09/453931809.db2.gz WZBJDTNYJGSSJC-UHFFFAOYSA-N 0 0 338.367 3.454 40 5 EGBBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000055693297 454006879 /nfs/dbraw/zinc/00/68/79/454006879.db2.gz AHJUTOOALUENKW-CYBMUJFWSA-N 0 0 328.368 3.409 40 5 EGBBRN COc1ccc(OCc2nnc(-c3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000078936406 454340278 /nfs/dbraw/zinc/34/02/78/454340278.db2.gz WOZVSQJJXSAPFT-UHFFFAOYSA-N 0 0 345.286 3.372 40 5 EGBBRN O=C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccc2N1 ZINC000096459476 454358351 /nfs/dbraw/zinc/35/83/51/454358351.db2.gz UTLULADVBRCCQQ-UHFFFAOYSA-N 0 0 338.323 3.085 40 5 EGBBRN Cc1ccc([C@@H]2COCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000097098737 454406486 /nfs/dbraw/zinc/40/64/86/454406486.db2.gz HXMLTMYYNDNNQX-HNNXBMFYSA-N 0 0 345.355 3.410 40 5 EGBBRN O=C(Cc1cccs1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000103931173 454570542 /nfs/dbraw/zinc/57/05/42/454570542.db2.gz VWCPZHPJNJZZQI-UHFFFAOYSA-N 0 0 328.353 3.023 40 5 EGBBRN Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000065855368 454632132 /nfs/dbraw/zinc/63/21/32/454632132.db2.gz KTIKJVFLDPXJLZ-VMPITWQZSA-N 0 0 340.379 3.420 40 5 EGBBRN CCOC[C@@H]1CCN(Cc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000093839492 454740164 /nfs/dbraw/zinc/74/01/64/454740164.db2.gz CBPHCHSUCYVSIZ-LLVKDONJSA-N 0 0 343.221 3.216 40 5 EGBBRN CC(C)(C)OC(=O)n1nc(Br)c2cccc([N+](=O)[O-])c21 ZINC000220359652 456040704 /nfs/dbraw/zinc/04/07/04/456040704.db2.gz XIQMAFOPXNESOX-UHFFFAOYSA-N 0 0 342.149 3.490 40 5 EGBBRN CCCC[C@H](CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000224154014 456064179 /nfs/dbraw/zinc/06/41/79/456064179.db2.gz SFPWTIGWSLRYRN-ZDUSSCGKSA-N 0 0 328.434 3.398 40 5 EGBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224713165 456068897 /nfs/dbraw/zinc/06/88/97/456068897.db2.gz BGAKXEVXABTJIO-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN Cc1ccccc1CNC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000408726883 457588129 /nfs/dbraw/zinc/58/81/29/457588129.db2.gz NOAZWCMVLFVJTQ-UHFFFAOYSA-N 0 0 330.409 3.453 40 5 EGBBRN O=C(NCCCO)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408977899 457590689 /nfs/dbraw/zinc/59/06/89/457590689.db2.gz YWSCQVYHNSWSEY-UHFFFAOYSA-N 0 0 337.404 3.110 40 5 EGBBRN CCCN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409237487 457597343 /nfs/dbraw/zinc/59/73/43/457597343.db2.gz WZPXQZNFEBEIFH-RAXLEYEMSA-N 0 0 341.323 3.158 40 5 EGBBRN O=[N+]([O-])c1c(F)c(Br)ccc1I ZINC000306285980 1297065861 /nfs/dbraw/zinc/06/58/61/1297065861.db2.gz WISOCNWTJCGLDK-UHFFFAOYSA-N 0 0 345.893 3.101 40 5 EGBBRN COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000019160913 202000037 /nfs/dbraw/zinc/00/00/37/202000037.db2.gz GVVWMIGCZAYHGP-UHFFFAOYSA-N 0 0 344.367 3.492 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCc4c3cccc4F)o2)cc1 ZINC000184041697 235291009 /nfs/dbraw/zinc/29/10/09/235291009.db2.gz VGCOVWIPFFWWFR-UHFFFAOYSA-N 0 0 340.314 3.347 40 5 EGBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1N1CCCC1 ZINC000020898063 202056796 /nfs/dbraw/zinc/05/67/96/202056796.db2.gz JONZTEJMFCKJNP-UHFFFAOYSA-N 0 0 337.339 3.307 40 5 EGBBRN CCc1nc2ccccc2n1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000024981053 202123586 /nfs/dbraw/zinc/12/35/86/202123586.db2.gz YELSMZYZBKLDFW-UHFFFAOYSA-N 0 0 339.351 3.250 40 5 EGBBRN Cc1nc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000040127504 202172668 /nfs/dbraw/zinc/17/26/68/202172668.db2.gz VTALSHPTTSEAGO-UHFFFAOYSA-N 0 0 341.776 3.339 40 5 EGBBRN Cc1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000031356988 202204576 /nfs/dbraw/zinc/20/45/76/202204576.db2.gz SFXXMNATMZQVKN-IZZDOVSWSA-N 0 0 326.352 3.112 40 5 EGBBRN C[C@H]1CC(=O)NN=C1c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000034646704 212979434 /nfs/dbraw/zinc/97/94/34/212979434.db2.gz YFJQPSKUCIGNDT-LBPRGKRZSA-N 0 0 338.367 3.067 40 5 EGBBRN CCn1cnnc1-c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000078499177 202396493 /nfs/dbraw/zinc/39/64/93/202396493.db2.gz LCAQXMAGVSVXMG-UHFFFAOYSA-N 0 0 337.339 3.126 40 5 EGBBRN CSCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000281214486 201325708 /nfs/dbraw/zinc/32/57/08/201325708.db2.gz JGKUTMZYWGTJPO-UHFFFAOYSA-N 0 0 347.234 3.182 40 5 EGBBRN O=[N+]([O-])c1ccccc1[C@H]1[C@H](c2ccccn2)N=C2SCCN21 ZINC000209940010 241073256 /nfs/dbraw/zinc/07/32/56/241073256.db2.gz JSVJXSLTIWCVSX-GJZGRUSLSA-N 0 0 326.381 3.191 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000224767919 241778846 /nfs/dbraw/zinc/77/88/46/241778846.db2.gz DOXIBSLWKLDPGO-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN COc1ccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000072228866 203184278 /nfs/dbraw/zinc/18/42/78/203184278.db2.gz LFDUMKJGQHHHAQ-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000003261740 205648574 /nfs/dbraw/zinc/64/85/74/205648574.db2.gz IXXITMHMNVKMOT-UHFFFAOYSA-N 0 0 334.353 3.069 40 5 EGBBRN Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000003559521 206469667 /nfs/dbraw/zinc/46/96/67/206469667.db2.gz MAUVKOSKPINHBC-UHFFFAOYSA-N 0 0 343.358 3.005 40 5 EGBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000012906314 207262058 /nfs/dbraw/zinc/26/20/58/207262058.db2.gz DETFWFZLTUWFQU-UHFFFAOYSA-N 0 0 339.351 3.048 40 5 EGBBRN CCN(CC)c1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)c2ccccc2O1 ZINC000059488784 257850083 /nfs/dbraw/zinc/85/00/83/257850083.db2.gz JWHARNPVAXHRDO-GOSISDBHSA-N 0 0 341.367 3.262 40 5 EGBBRN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036620374 292649218 /nfs/dbraw/zinc/64/92/18/292649218.db2.gz DYKJXIIJOLEYQL-KRWDZBQOSA-N 0 0 346.408 3.429 40 5 EGBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000005092070 277321664 /nfs/dbraw/zinc/32/16/64/277321664.db2.gz LMIFUFWMTSZROH-LZDSYCOUSA-N 0 0 338.363 3.161 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N1CCCc2c(C)ccc(F)c21 ZINC000096493639 281667727 /nfs/dbraw/zinc/66/77/27/281667727.db2.gz WXSFNZIDMXUQOW-UHFFFAOYSA-N 0 0 346.362 3.160 40 5 EGBBRN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000036620796 302150992 /nfs/dbraw/zinc/15/09/92/302150992.db2.gz QNISAGFMNLIOCA-HNNXBMFYSA-N 0 0 346.408 3.429 40 5 EGBBRN CCSc1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000001955490 452683939 /nfs/dbraw/zinc/68/39/39/452683939.db2.gz PUFZCIANMDBMEE-VOTSOKGWSA-N 0 0 336.398 3.210 40 5 EGBBRN CCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000005250093 452851279 /nfs/dbraw/zinc/85/12/79/452851279.db2.gz KSIULPFBGLMSNR-JTQLQIEISA-N 0 0 340.594 3.229 40 5 EGBBRN Cc1cccc(C(=O)OCC(=O)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000004580253 452808887 /nfs/dbraw/zinc/80/88/87/452808887.db2.gz YMMVQLRCWHTUIE-UHFFFAOYSA-N 0 0 335.262 3.221 40 5 EGBBRN Cc1[nH]nc(SCC(=O)Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000004872899 452823893 /nfs/dbraw/zinc/82/38/93/452823893.db2.gz GVAQLXOZMSNEHF-UHFFFAOYSA-N 0 0 340.792 3.319 40 5 EGBBRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000006413900 452942579 /nfs/dbraw/zinc/94/25/79/452942579.db2.gz WDWVERFBKPJDCH-UHFFFAOYSA-N 0 0 334.641 3.242 40 5 EGBBRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000007696750 453103879 /nfs/dbraw/zinc/10/38/79/453103879.db2.gz IBFYDBAKEDZAPN-UHFFFAOYSA-N 0 0 336.351 3.053 40 5 EGBBRN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccccc1 ZINC000015576915 453578120 /nfs/dbraw/zinc/57/81/20/453578120.db2.gz LIBOQCWDVHJRAT-VOTSOKGWSA-N 0 0 326.308 3.113 40 5 EGBBRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000018204160 453647615 /nfs/dbraw/zinc/64/76/15/453647615.db2.gz VOEHVBNGPNQRAJ-LBPRGKRZSA-N 0 0 344.367 3.411 40 5 EGBBRN CCOCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000029281509 453827962 /nfs/dbraw/zinc/82/79/62/453827962.db2.gz RWPDEQPDKHSZNN-UHFFFAOYSA-N 0 0 328.368 3.370 40 5 EGBBRN CCCc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[nH]1 ZINC000031850315 453856304 /nfs/dbraw/zinc/85/63/04/453856304.db2.gz YTRJLYKDLHKLDW-UHFFFAOYSA-N 0 0 346.372 3.008 40 5 EGBBRN N[C@H](c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000095533949 454231208 /nfs/dbraw/zinc/23/12/08/454231208.db2.gz JFLMZJKZYCEIBS-ZDUSSCGKSA-N 0 0 329.747 3.081 40 5 EGBBRN Cc1sc(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000096470746 454361015 /nfs/dbraw/zinc/36/10/15/454361015.db2.gz HRYLZXGFVDAWBT-QGZVFWFLSA-N 0 0 346.408 3.353 40 5 EGBBRN COc1ccncc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079843686 454489057 /nfs/dbraw/zinc/48/90/57/454489057.db2.gz PNNGDTICAXFLDF-UHFFFAOYSA-N 0 0 341.245 3.270 40 5 EGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000065518803 454582131 /nfs/dbraw/zinc/58/21/31/454582131.db2.gz VTCYMNSRXZRSTD-HXUWFJFHSA-N 0 0 347.374 3.438 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(Cl)s2)c1 ZINC000147100370 454862032 /nfs/dbraw/zinc/86/20/32/454862032.db2.gz LYDWUKJOIMRCSR-UHFFFAOYSA-N 0 0 340.788 3.291 40 5 EGBBRN CCc1ccccc1N(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997842 456071361 /nfs/dbraw/zinc/07/13/61/456071361.db2.gz YYPKTYACEAPQMD-UHFFFAOYSA-N 0 0 334.397 3.372 40 5 EGBBRN COc1ccccc1CNC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000408727958 457588143 /nfs/dbraw/zinc/58/81/43/457588143.db2.gz TZUAORZVWMGSOP-UHFFFAOYSA-N 0 0 346.408 3.153 40 5 EGBBRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000008355054 201746814 /nfs/dbraw/zinc/74/68/14/201746814.db2.gz DPJGYZFJPIKJQJ-LBPRGKRZSA-N 0 0 344.367 3.411 40 5 EGBBRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014219041 201932611 /nfs/dbraw/zinc/93/26/11/201932611.db2.gz XFGHNVFIBXXMDL-LBPRGKRZSA-N 0 0 334.397 3.197 40 5 EGBBRN C[C@@H](CCc1ccccc1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020046843 202030804 /nfs/dbraw/zinc/03/08/04/202030804.db2.gz XKMOQWRNTAXYJF-AWEZNQCLSA-N 0 0 348.424 3.036 40 5 EGBBRN COCCNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000020897596 202057427 /nfs/dbraw/zinc/05/74/27/202057427.db2.gz JHJJTSIEXOVHSM-UHFFFAOYSA-N 0 0 340.339 3.370 40 5 EGBBRN COC(=O)[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000024046962 202112750 /nfs/dbraw/zinc/11/27/50/202112750.db2.gz BQZPPQIVCALDRJ-CQSZACIVSA-N 0 0 349.726 3.319 40 5 EGBBRN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000024151646 202113581 /nfs/dbraw/zinc/11/35/81/202113581.db2.gz MLOUWHBJMJKUJG-GOSISDBHSA-N 0 0 336.347 3.211 40 5 EGBBRN CCOc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026048940 202137933 /nfs/dbraw/zinc/13/79/33/202137933.db2.gz GITLSWCTHAALTD-CYBMUJFWSA-N 0 0 328.368 3.413 40 5 EGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1ccc(F)cc1 ZINC000217893460 241281903 /nfs/dbraw/zinc/28/19/03/241281903.db2.gz FLAKCYJEWXBZJY-KPKJPENVSA-N 0 0 328.343 3.496 40 5 EGBBRN COc1ccnc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000242263294 243012937 /nfs/dbraw/zinc/01/29/37/243012937.db2.gz XXRMZUBASKOHFP-UHFFFAOYSA-N 0 0 343.383 3.042 40 5 EGBBRN Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000071977412 203156200 /nfs/dbraw/zinc/15/62/00/203156200.db2.gz RVLOKYPUQAOVLU-UHFFFAOYSA-N 0 0 337.295 3.209 40 5 EGBBRN CCc1nc2n(n1)[C@@H](c1ccco1)CC(c1cccc([N+](=O)[O-])c1)=N2 ZINC000100068409 203989229 /nfs/dbraw/zinc/98/92/29/203989229.db2.gz JTIPBNKAXBYNFH-CQSZACIVSA-N 0 0 337.339 3.398 40 5 EGBBRN NC(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000352064358 204013850 /nfs/dbraw/zinc/01/38/50/204013850.db2.gz TWCNKXDYQGRZMN-UTCJRWHESA-N 0 0 337.129 3.116 40 5 EGBBRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000036811221 296230074 /nfs/dbraw/zinc/23/00/74/296230074.db2.gz OZTGCLQUGDENRO-ZDUSSCGKSA-N 0 0 348.424 3.191 40 5 EGBBRN COC(=O)c1ccccc1N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000327897569 284586996 /nfs/dbraw/zinc/58/69/96/284586996.db2.gz RDSCPZBKZGAFQW-GFCCVEGCSA-N 0 0 342.351 3.148 40 5 EGBBRN O=C(Nc1cccnc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000007388689 206522505 /nfs/dbraw/zinc/52/25/05/206522505.db2.gz UCUWRXBTYWCNCW-UHFFFAOYSA-N 0 0 346.774 3.496 40 5 EGBBRN Cc1nn(C)c(C(=O)N2CCC[C@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC000097374584 219018468 /nfs/dbraw/zinc/01/84/68/219018468.db2.gz XRDOSTMHPGCQIA-NSHDSACASA-N 0 0 328.372 3.181 40 5 EGBBRN CCn1c2ccc([N+](=O)[O-])cc2c2c1ccc(NC=O)c2[N+](=O)[O-] ZINC000005463484 273779438 /nfs/dbraw/zinc/77/94/38/273779438.db2.gz RQOFAINMEVKIOA-UHFFFAOYSA-N 0 0 328.284 3.199 40 5 EGBBRN Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000097095987 323214712 /nfs/dbraw/zinc/21/47/12/323214712.db2.gz ITWIBLJVQDIBRV-UHFFFAOYSA-N 0 0 345.403 3.008 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000000313404 452562211 /nfs/dbraw/zinc/56/22/11/452562211.db2.gz ZIYWDHNFTQTFKV-CQSZACIVSA-N 0 0 349.387 3.241 40 5 EGBBRN CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000000410864 452581621 /nfs/dbraw/zinc/58/16/21/452581621.db2.gz FARNXZKMRAXXCB-CYBMUJFWSA-N 0 0 334.401 3.144 40 5 EGBBRN Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1cccc(Cl)c1 ZINC000000930673 452639312 /nfs/dbraw/zinc/63/93/12/452639312.db2.gz HNCYIEJWSQEJGE-UHFFFAOYSA-N 0 0 329.743 3.315 40 5 EGBBRN COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])c(C)c1)=NCC2 ZINC000001033115 452642851 /nfs/dbraw/zinc/64/28/51/452642851.db2.gz MMOCXBLGTXHKIC-UHFFFAOYSA-N 0 0 326.352 3.314 40 5 EGBBRN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000001934342 452681469 /nfs/dbraw/zinc/68/14/69/452681469.db2.gz VYHHDEINAGFIEX-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003845371 452784994 /nfs/dbraw/zinc/78/49/94/452784994.db2.gz AWDGCGQJABHEHG-LBTNJELSSA-N 0 0 331.368 3.393 40 5 EGBBRN Cc1cc(C)c(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c([N+](=O)[O-])c1 ZINC000003893541 452789057 /nfs/dbraw/zinc/78/90/57/452789057.db2.gz GTKJEGXFFCWQOZ-MSOLQXFVSA-N 0 0 346.383 3.272 40 5 EGBBRN O=C(Nc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005571736 452885025 /nfs/dbraw/zinc/88/50/25/452885025.db2.gz NCEWGERSRCIJFE-UHFFFAOYSA-N 0 0 344.346 3.088 40 5 EGBBRN Cc1cc(C(=O)NCCCN2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000010113731 453274569 /nfs/dbraw/zinc/27/45/69/453274569.db2.gz BBKPEWJUEJHZSF-UHFFFAOYSA-N 0 0 339.395 3.086 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000013619072 453473863 /nfs/dbraw/zinc/47/38/63/453473863.db2.gz RLDAUDUJWBSJQT-QGZVFWFLSA-N 0 0 342.351 3.405 40 5 EGBBRN CCOCc1ccccc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000030509571 453836181 /nfs/dbraw/zinc/83/61/81/453836181.db2.gz CEZBHNQXOIFPKQ-UHFFFAOYSA-N 0 0 328.368 3.370 40 5 EGBBRN Nc1nc(-c2cccc([N+](=O)[O-])c2)cc2c3ccccc3oc(=O)c12 ZINC000032287100 453867150 /nfs/dbraw/zinc/86/71/50/453867150.db2.gz YPQIXDXEHWDMBN-UHFFFAOYSA-N 0 0 333.303 3.499 40 5 EGBBRN N[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533953 454230032 /nfs/dbraw/zinc/23/00/32/454230032.db2.gz KJQWQZGXQFNYID-ZDUSSCGKSA-N 0 0 329.747 3.081 40 5 EGBBRN Cc1ccc([C@@H](C[N+](=O)[O-])c2c(=O)[nH][nH]c2-c2ccccc2O)cc1 ZINC000095867966 454232297 /nfs/dbraw/zinc/23/22/97/454232297.db2.gz OMJOHIRNKHTCMV-CQSZACIVSA-N 0 0 339.351 3.205 40 5 EGBBRN O=[N+]([O-])c1cnn(Cc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000096424859 454338657 /nfs/dbraw/zinc/33/86/57/454338657.db2.gz RRYOFJQWJHKRIM-UHFFFAOYSA-N 0 0 349.144 3.257 40 5 EGBBRN CN(Cc1cscn1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096430712 454341684 /nfs/dbraw/zinc/34/16/84/454341684.db2.gz BOKXKNUMIUADHX-UHFFFAOYSA-N 0 0 345.302 3.342 40 5 EGBBRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000080507745 454591924 /nfs/dbraw/zinc/59/19/24/454591924.db2.gz SCYZHVQMNDFMCD-UHFFFAOYSA-N 0 0 345.302 3.342 40 5 EGBBRN CN(C[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160250756 455441457 /nfs/dbraw/zinc/44/14/57/455441457.db2.gz SPVZLCJRWFWSQJ-VIFPVBQESA-N 0 0 347.293 3.114 40 5 EGBBRN COc1cccc(C(=O)NCCCc2cccc(F)c2)c1[N+](=O)[O-] ZINC000194330338 455828561 /nfs/dbraw/zinc/82/85/61/455828561.db2.gz JPUFPLPPMAGLNX-UHFFFAOYSA-N 0 0 332.331 3.105 40 5 EGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCOc1ccccc1Cl ZINC000223377186 456056640 /nfs/dbraw/zinc/05/66/40/456056640.db2.gz WYOSKRCWOPDUCI-JXMROGBWSA-N 0 0 346.770 3.457 40 5 EGBBRN CCCc1ccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000223445003 456057523 /nfs/dbraw/zinc/05/75/23/456057523.db2.gz RORGUBAEKBDDEF-UHFFFAOYSA-N 0 0 342.395 3.285 40 5 EGBBRN C[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225341932 456078766 /nfs/dbraw/zinc/07/87/66/456078766.db2.gz GRWNBDQXUSBVGT-HNNXBMFYSA-N 0 0 348.815 3.320 40 5 EGBBRN O=[N+]([O-])c1ccc(NCc2ccccn2)nc1NCc1ccccn1 ZINC000302796227 456403990 /nfs/dbraw/zinc/40/39/90/456403990.db2.gz PRXDVMHAVHESCD-UHFFFAOYSA-N 0 0 336.355 3.004 40 5 EGBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000409009753 457591087 /nfs/dbraw/zinc/59/10/87/457591087.db2.gz BTJNPMPYVWOANW-TVNQGELYSA-N 0 0 336.369 3.438 40 5 EGBBRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004039217 210106395 /nfs/dbraw/zinc/10/63/95/210106395.db2.gz ZZJINROTVCCQRB-NSHDSACASA-N 0 0 346.339 3.018 40 5 EGBBRN CC1(C)Cc2cccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2O1 ZINC000015881076 201967207 /nfs/dbraw/zinc/96/72/07/201967207.db2.gz YJCMGHPXWWHNHQ-UHFFFAOYSA-N 0 0 342.351 3.326 40 5 EGBBRN CC(C)Oc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000020451861 202043224 /nfs/dbraw/zinc/04/32/24/202043224.db2.gz JUHCDOOCOGSOCT-UHFFFAOYSA-N 0 0 328.368 3.241 40 5 EGBBRN COc1cc(OCC(=O)Nc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000022259302 202082123 /nfs/dbraw/zinc/08/21/23/202082123.db2.gz CAYGTWYBMVGPSZ-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN CCONC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000022874247 202093576 /nfs/dbraw/zinc/09/35/76/202093576.db2.gz WCMXGHQFLCPXMY-UHFFFAOYSA-N 0 0 339.398 3.192 40 5 EGBBRN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000040070001 202167100 /nfs/dbraw/zinc/16/71/00/202167100.db2.gz ACUNJSOLSCWHMF-SECBINFHSA-N 0 0 328.303 3.101 40 5 EGBBRN Cc1ccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000040095625 202167496 /nfs/dbraw/zinc/16/74/96/202167496.db2.gz YUXCUJLSIMZCMP-OAHLLOKOSA-N 0 0 349.774 3.412 40 5 EGBBRN Cc1cccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)c1 ZINC000188995186 236724628 /nfs/dbraw/zinc/72/46/28/236724628.db2.gz PYUOLQJXHHBNEK-UHFFFAOYSA-N 0 0 337.379 3.415 40 5 EGBBRN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000038330375 202401356 /nfs/dbraw/zinc/40/13/56/202401356.db2.gz VBRXABXYDNIKKL-TXEJJXNPSA-N 0 0 345.355 3.054 40 5 EGBBRN CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263857072 201208053 /nfs/dbraw/zinc/20/80/53/201208053.db2.gz SFFKRFBJACGGQY-UHFFFAOYSA-N 0 0 349.387 3.180 40 5 EGBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OC[C@@H]2CO2)c1 ZINC000024522774 212423881 /nfs/dbraw/zinc/42/38/81/212423881.db2.gz AAWRZTSDESQMMQ-HVHJFMEUSA-N 0 0 349.346 3.486 40 5 EGBBRN Cc1ccc2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2n1 ZINC000004891918 201624718 /nfs/dbraw/zinc/62/47/18/201624718.db2.gz YRBRBZOXJYGZKF-UHFFFAOYSA-N 0 0 344.348 3.219 40 5 EGBBRN COc1cc(OCC(=O)Nc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000068751948 202970837 /nfs/dbraw/zinc/97/08/37/202970837.db2.gz GWWHFQFKHLKHFT-UHFFFAOYSA-N 0 0 348.380 3.343 40 5 EGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1COc2ccccc2O1 ZINC000009578361 284283840 /nfs/dbraw/zinc/28/38/40/284283840.db2.gz QYJRZBDPLCVKQF-AWEZNQCLSA-N 0 0 334.715 3.027 40 5 EGBBRN CCOC(=O)C(CC)(CCc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000001666539 206309416 /nfs/dbraw/zinc/30/94/16/206309416.db2.gz OGGDIGKWJMPBAD-UHFFFAOYSA-N 0 0 337.372 3.050 40 5 EGBBRN COc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000006061815 206507991 /nfs/dbraw/zinc/50/79/91/206507991.db2.gz WVPSTOMAZBABDB-LLVKDONJSA-N 0 0 346.339 3.018 40 5 EGBBRN CC(C)c1noc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174243727 207002479 /nfs/dbraw/zinc/00/24/79/207002479.db2.gz XISUQTXRMAVNSX-UHFFFAOYSA-N 0 0 346.387 3.145 40 5 EGBBRN COc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000012755617 207244549 /nfs/dbraw/zinc/24/45/49/207244549.db2.gz CTPCCWULMVVORZ-UHFFFAOYSA-N 0 0 326.352 3.408 40 5 EGBBRN Cc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000012909696 207262229 /nfs/dbraw/zinc/26/22/29/207262229.db2.gz QVEQZXXCODRAEH-UHFFFAOYSA-N 0 0 339.351 3.048 40 5 EGBBRN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000013012357 207273505 /nfs/dbraw/zinc/27/35/05/207273505.db2.gz OTVGXOKLWQNOGO-UHFFFAOYSA-N 0 0 331.303 3.253 40 5 EGBBRN CCC(=O)Nc1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000012927691 207265044 /nfs/dbraw/zinc/26/50/44/207265044.db2.gz INBSNMHQEXIMCH-UHFFFAOYSA-N 0 0 343.339 3.204 40 5 EGBBRN C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005617300 210502775 /nfs/dbraw/zinc/50/27/75/210502775.db2.gz PBZDNZSLMPNMGL-GFCCVEGCSA-N 0 0 334.372 3.435 40 5 EGBBRN O=C(NCc1ccsc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000096456382 218841357 /nfs/dbraw/zinc/84/13/57/218841357.db2.gz RJJQUAMBKMGEGV-UHFFFAOYSA-N 0 0 341.186 3.349 40 5 EGBBRN O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728911 257865519 /nfs/dbraw/zinc/86/55/19/257865519.db2.gz PNIUGICIIHMAOP-ZROIWOOFSA-N 0 0 341.348 3.226 40 5 EGBBRN Cc1cccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000010447494 257860534 /nfs/dbraw/zinc/86/05/34/257860534.db2.gz GOBMDGRBUOJZAX-UHFFFAOYSA-N 0 0 330.409 3.453 40 5 EGBBRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(C)(C)Sc2ccccc21 ZINC000096461678 282003259 /nfs/dbraw/zinc/00/32/59/282003259.db2.gz MYZQKXVVQDHUAF-UHFFFAOYSA-N 0 0 346.412 3.017 40 5 EGBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000001236469 297942765 /nfs/dbraw/zinc/94/27/65/297942765.db2.gz JABJHRXQRZQLCF-MLGOLLRUSA-N 0 0 338.429 3.184 40 5 EGBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1Cl ZINC000001993703 452683664 /nfs/dbraw/zinc/68/36/64/452683664.db2.gz IUGZQAXUPOLWJM-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc(C)cc(C)c12 ZINC000003095088 452741314 /nfs/dbraw/zinc/74/13/14/452741314.db2.gz MZFBDARXFMKULB-UHFFFAOYSA-N 0 0 327.300 3.162 40 5 EGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003506590 452774269 /nfs/dbraw/zinc/77/42/69/452774269.db2.gz UOWGMQZHJSDAQY-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN O=[N+]([O-])c1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000004952861 452827844 /nfs/dbraw/zinc/82/78/44/452827844.db2.gz POGXWDLKVRQZFJ-UHFFFAOYSA-N 0 0 329.375 3.052 40 5 EGBBRN CC(=O)Nc1nc(Cl)c([N+](=O)[O-])c(SCc2ccccc2)n1 ZINC000005045658 452833230 /nfs/dbraw/zinc/83/32/30/452833230.db2.gz POZCILZGMBWJBG-UHFFFAOYSA-N 0 0 338.776 3.289 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005638108 452892404 /nfs/dbraw/zinc/89/24/04/452892404.db2.gz BDEKOLOTXGXXNQ-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN CC1(C)[C@H]2CC[C@]1(C)c1c2n(O)c(-c2cccc([N+](=O)[O-])c2)[n+]1[O-] ZINC000005727935 452899823 /nfs/dbraw/zinc/89/98/23/452899823.db2.gz WDRKDTPVOLJXOD-YVEFUNNKSA-N 0 0 329.356 3.109 40 5 EGBBRN CCN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000006318741 452935778 /nfs/dbraw/zinc/93/57/78/452935778.db2.gz OYCALLVKBARAIO-GXDHUFHOSA-N 0 0 343.364 3.442 40 5 EGBBRN CCN(CC)C(=O)[C@@H](Oc1ccc(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000006976088 453013868 /nfs/dbraw/zinc/01/38/68/453013868.db2.gz DEAFKYOHMNASLW-INIZCTEOSA-N 0 0 343.383 3.287 40 5 EGBBRN CSc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000007321808 453059460 /nfs/dbraw/zinc/05/94/60/453059460.db2.gz ILWVOSWEPYTKEH-UHFFFAOYSA-N 0 0 330.778 3.074 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCC2)cc1 ZINC000007383229 453068072 /nfs/dbraw/zinc/06/80/72/453068072.db2.gz PVJDOXHUGNYNBG-UHFFFAOYSA-N 0 0 341.367 3.456 40 5 EGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CCCCCC2)cc1 ZINC000010543514 453295367 /nfs/dbraw/zinc/29/53/67/453295367.db2.gz GAFGXMGJAUNNRF-UHFFFAOYSA-N 0 0 326.418 3.234 40 5 EGBBRN CCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000013671104 453480361 /nfs/dbraw/zinc/48/03/61/453480361.db2.gz QNYROCRAYJBQMR-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN Cc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000018182793 453647048 /nfs/dbraw/zinc/64/70/48/453647048.db2.gz ZNLOHTVPLYNHGU-UHFFFAOYSA-N 0 0 327.384 3.160 40 5 EGBBRN COc1ccc(OC)c(C(=O)COc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000029751020 453831205 /nfs/dbraw/zinc/83/12/05/453831205.db2.gz BUNBMWFILTUAJH-UHFFFAOYSA-N 0 0 345.351 3.491 40 5 EGBBRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000031546644 453848803 /nfs/dbraw/zinc/84/88/03/453848803.db2.gz COEYMPRWRIOEAZ-BZNIZROVSA-N 0 0 339.351 3.442 40 5 EGBBRN Cc1cccc(C(=O)NC[C@H](C)N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000033057166 453903035 /nfs/dbraw/zinc/90/30/35/453903035.db2.gz VHMBNHZWSFEFRK-AWEZNQCLSA-N 0 0 339.395 3.084 40 5 EGBBRN CC(=O)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000040169553 453949406 /nfs/dbraw/zinc/94/94/06/453949406.db2.gz IVGMKNSKZLPAAJ-UHFFFAOYSA-N 0 0 338.323 3.162 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000057008169 454096093 /nfs/dbraw/zinc/09/60/93/454096093.db2.gz XZGBBUVQCDSMFD-UHFFFAOYSA-N 0 0 342.323 3.007 40 5 EGBBRN O=C(NCCc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000096432837 454343418 /nfs/dbraw/zinc/34/34/18/454343418.db2.gz CKVLZLPJWMKYJW-UHFFFAOYSA-N 0 0 345.302 3.043 40 5 EGBBRN COc1cc(OC)cc([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)c1 ZINC000081029374 454674515 /nfs/dbraw/zinc/67/45/15/454674515.db2.gz RGHKGPRTAYUYGS-GFCCVEGCSA-N 0 0 329.356 3.001 40 5 EGBBRN COCc1ccc([C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000161786590 454723553 /nfs/dbraw/zinc/72/35/53/454723553.db2.gz FXFVWVPDAIUDSW-MRXNPFEDSA-N 0 0 344.367 3.240 40 5 EGBBRN O=C(NCCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1Cl ZINC000172149586 455128937 /nfs/dbraw/zinc/12/89/37/455128937.db2.gz DSOIZNFOERXZCX-UHFFFAOYSA-N 0 0 346.770 3.156 40 5 EGBBRN Cn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000408604487 457583972 /nfs/dbraw/zinc/58/39/72/457583972.db2.gz JUEPEEHQPPZEOS-UHFFFAOYSA-N 0 0 340.364 3.354 40 5 EGBBRN O=[N+]([O-])c1ccc(CSc2n[nH]c(-c3ccccc3O)n2)cc1 ZINC000005731329 527354199 /nfs/dbraw/zinc/35/41/99/527354199.db2.gz KMIIYKQCOKKASY-UHFFFAOYSA-N 0 0 328.353 3.378 40 5 EGBBRN O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000001614974 1424786958 /nfs/dbraw/zinc/78/69/58/1424786958.db2.gz AJSAARODUVUXAJ-UHFFFAOYSA-N 0 0 331.168 3.023 40 5 EGBBRN COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000010022880 201793101 /nfs/dbraw/zinc/79/31/01/201793101.db2.gz OPTKVBBSHKAWQF-UHFFFAOYSA-N 0 0 348.380 3.343 40 5 EGBBRN COCCOc1cccc(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000078551810 202395820 /nfs/dbraw/zinc/39/58/20/202395820.db2.gz JJRRVOKCGMNOSY-UHFFFAOYSA-N 0 0 334.303 3.011 40 5 EGBBRN COc1cc2nc(C)sc2cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000330032645 201363852 /nfs/dbraw/zinc/36/38/52/201363852.db2.gz QGOVEJDZHROVGL-UHFFFAOYSA-N 0 0 333.325 3.367 40 5 EGBBRN Cc1ccc(OCC(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000024733149 212435313 /nfs/dbraw/zinc/43/53/13/212435313.db2.gz OSOKGDCDTPHAPN-UHFFFAOYSA-N 0 0 332.331 3.080 40 5 EGBBRN Cc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000021769532 212247178 /nfs/dbraw/zinc/24/71/78/212247178.db2.gz SSLCRADRVUDCKN-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN COc1cccc(N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000225990139 242084252 /nfs/dbraw/zinc/08/42/52/242084252.db2.gz SMENFGGWCRCPER-UHFFFAOYSA-N 0 0 326.352 3.298 40 5 EGBBRN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1[N+](=O)[O-] ZINC000012941685 207266775 /nfs/dbraw/zinc/26/67/75/207266775.db2.gz IWCPHLUUCLBFKX-UHFFFAOYSA-N 0 0 326.356 3.151 40 5 EGBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1N1CCCC1 ZINC000020898026 285081279 /nfs/dbraw/zinc/08/12/79/285081279.db2.gz HGDGZXXSPKOSFX-UHFFFAOYSA-N 0 0 337.339 3.307 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N(Cc1ccc(C)o1)C(C)C ZINC000096492783 218869658 /nfs/dbraw/zinc/86/96/58/218869658.db2.gz CYEMGKRAYXXKHA-UHFFFAOYSA-N 0 0 334.376 3.072 40 5 EGBBRN O=[N+]([O-])c1cnn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000426653 285188514 /nfs/dbraw/zinc/18/85/14/285188514.db2.gz QJVOHAQTWRWSCL-UHFFFAOYSA-N 0 0 335.245 3.256 40 5 EGBBRN CCOc1cc(-c2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)ccc1OC ZINC000085385015 257701945 /nfs/dbraw/zinc/70/19/45/257701945.db2.gz AZWUOZUYOBOBOC-UHFFFAOYSA-N 0 0 340.339 3.454 40 5 EGBBRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C2CC2)C2CCCC2)c1C ZINC000024687238 291993942 /nfs/dbraw/zinc/99/39/42/291993942.db2.gz SZSSKWUUACGKEI-UHFFFAOYSA-N 0 0 338.429 3.307 40 5 EGBBRN O=S1c2ccccc2N(CC[N+]2([O-])CCCC2)c2ccccc21 ZINC000001648424 296495224 /nfs/dbraw/zinc/49/52/24/296495224.db2.gz LEXLTJIEIUSRCI-UHFFFAOYSA-N 0 0 328.437 3.413 40 5 EGBBRN Cc1cnc(-c2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2)o1 ZINC000097235066 323215271 /nfs/dbraw/zinc/21/52/71/323215271.db2.gz GQAODZGIHZVEEA-UHFFFAOYSA-N 0 0 338.323 3.393 40 5 EGBBRN C[C@]12C[C@H](CC(C)(C)C1)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000000137054 452517891 /nfs/dbraw/zinc/51/78/91/452517891.db2.gz JABJHRXQRZQLCF-LRDDRELGSA-N 0 0 338.429 3.184 40 5 EGBBRN CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001644318 452671510 /nfs/dbraw/zinc/67/15/10/452671510.db2.gz QLUUOLWQTPTAIE-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN CC(C)OC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000003547674 452778908 /nfs/dbraw/zinc/77/89/08/452778908.db2.gz OABPJJLSOFDAAN-UHFFFAOYSA-N 0 0 328.324 3.412 40 5 EGBBRN CCCCC(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000005181418 452842379 /nfs/dbraw/zinc/84/23/79/452842379.db2.gz JOSITMFGYASOFS-UHFFFAOYSA-N 0 0 348.428 3.043 40 5 EGBBRN CCOc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000005779347 452901409 /nfs/dbraw/zinc/90/14/09/452901409.db2.gz JWLOQIKQRVFOQB-UHFFFAOYSA-N 0 0 343.335 3.342 40 5 EGBBRN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007218255 453045960 /nfs/dbraw/zinc/04/59/60/453045960.db2.gz JOMYDCMOGORDLR-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000007309933 453057905 /nfs/dbraw/zinc/05/79/05/453057905.db2.gz DERVOFBKLWDICD-CYBMUJFWSA-N 0 0 338.410 3.182 40 5 EGBBRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000007308783 453058270 /nfs/dbraw/zinc/05/82/70/453058270.db2.gz JBJNSFUVERGVIR-MRXNPFEDSA-N 0 0 334.397 3.333 40 5 EGBBRN CC(=O)c1ccc(NCCc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000007984469 453144611 /nfs/dbraw/zinc/14/46/11/453144611.db2.gz GLAXYVFMYVTTQE-UHFFFAOYSA-N 0 0 342.351 3.223 40 5 EGBBRN O=C(c1ccccc1)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000008055831 453155952 /nfs/dbraw/zinc/15/59/52/453155952.db2.gz DMBPXEUJBGCXKO-HNNXBMFYSA-N 0 0 326.352 3.417 40 5 EGBBRN COc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1[N+](=O)[O-] ZINC000009064277 453241635 /nfs/dbraw/zinc/24/16/35/453241635.db2.gz IXELNISHHBHYDT-UHFFFAOYSA-N 0 0 345.380 3.039 40 5 EGBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccco1 ZINC000014257734 453527844 /nfs/dbraw/zinc/52/78/44/453527844.db2.gz IXKVVTLZLYAUET-UHFFFAOYSA-N 0 0 339.760 3.276 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(Cl)c1 ZINC000016092536 453593340 /nfs/dbraw/zinc/59/33/40/453593340.db2.gz AXCLHNUGJINAPW-UHFFFAOYSA-N 0 0 340.788 3.035 40 5 EGBBRN CCN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000016093048 453593579 /nfs/dbraw/zinc/59/35/79/453593579.db2.gz FRLQAAYWFSFQLM-UHFFFAOYSA-N 0 0 326.418 3.247 40 5 EGBBRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000020139758 453662097 /nfs/dbraw/zinc/66/20/97/453662097.db2.gz UFOJLYUWDBYAKP-UHFFFAOYSA-N 0 0 328.280 3.192 40 5 EGBBRN Cc1ccc([C@H]2CSCCN2C(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000081345763 453862972 /nfs/dbraw/zinc/86/29/72/453862972.db2.gz PDZIIERMFHTXTK-OAHLLOKOSA-N 0 0 346.408 3.355 40 5 EGBBRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032765598 453889219 /nfs/dbraw/zinc/88/92/19/453889219.db2.gz UZVMFJQQFUEZRI-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN Cc1ccc(C)c(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000055675093 454005125 /nfs/dbraw/zinc/00/51/25/454005125.db2.gz RLQLBFBEMBMUQN-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN COc1cc(OCC(=O)N[C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000068787782 454053366 /nfs/dbraw/zinc/05/33/66/454053366.db2.gz KGTWPMCCKCEBRI-CYBMUJFWSA-N 0 0 344.367 3.168 40 5 EGBBRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000044902017 454125587 /nfs/dbraw/zinc/12/55/87/454125587.db2.gz HRHBLIDSRLSGOM-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000096433165 454344301 /nfs/dbraw/zinc/34/43/01/454344301.db2.gz IRSRZHHAKCTHEP-IUODEOHRSA-N 0 0 346.387 3.083 40 5 EGBBRN CS[C@@H]1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000096462881 454360511 /nfs/dbraw/zinc/36/05/11/454360511.db2.gz QKDPYVAGPGBJNT-LSDHHAIUSA-N 0 0 337.445 3.063 40 5 EGBBRN CC(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)on1 ZINC000096487446 454367447 /nfs/dbraw/zinc/36/74/47/454367447.db2.gz LZANVTVVNROHBU-UHFFFAOYSA-N 0 0 340.339 3.184 40 5 EGBBRN Cc1nn(C)c(Sc2nnc3sc4ccccc4n23)c1[N+](=O)[O-] ZINC000079353684 454401212 /nfs/dbraw/zinc/40/12/12/454401212.db2.gz CXGGYCKAZORVNK-UHFFFAOYSA-N 0 0 346.397 3.045 40 5 EGBBRN Cc1csc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000125558098 454831778 /nfs/dbraw/zinc/83/17/78/454831778.db2.gz VUOFYUWOKVCUCM-UHFFFAOYSA-N 0 0 345.302 3.309 40 5 EGBBRN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1F ZINC000182019481 455418561 /nfs/dbraw/zinc/41/85/61/455418561.db2.gz BLNSSBDAFJCFGZ-UHFFFAOYSA-N 0 0 344.751 3.497 40 5 EGBBRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224743841 456069850 /nfs/dbraw/zinc/06/98/50/456069850.db2.gz XNPORRYECUXRSE-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN CCc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000225079205 456073320 /nfs/dbraw/zinc/07/33/20/456073320.db2.gz QHEOMLJDCMKRCZ-UHFFFAOYSA-N 0 0 334.397 3.291 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C/[N+](=O)[O-] ZINC000408528311 457580500 /nfs/dbraw/zinc/58/05/00/457580500.db2.gz VUIBOQFJSKUAAK-BNFZFUHLSA-N 0 0 340.291 3.461 40 5 EGBBRN O=C(NC1CC1)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000058161005 214486577 /nfs/dbraw/zinc/48/65/77/214486577.db2.gz ANBMNBHYCCCDHS-UHFFFAOYSA-N 0 0 329.331 3.238 40 5 EGBBRN CC(C)c1noc(-c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)n1 ZINC000015669963 201960128 /nfs/dbraw/zinc/96/01/28/201960128.db2.gz BUPJBFLXKWEKEY-GFCCVEGCSA-N 0 0 332.360 3.359 40 5 EGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000020456186 202042503 /nfs/dbraw/zinc/04/25/03/202042503.db2.gz IHPKDJKCZDMCKF-UHFFFAOYSA-N 0 0 326.761 3.190 40 5 EGBBRN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1 ZINC000020496134 202046344 /nfs/dbraw/zinc/04/63/44/202046344.db2.gz ADLIHASCKLVLHE-UHFFFAOYSA-N 0 0 328.259 3.036 40 5 EGBBRN O=C(/C=C/c1ccccc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020496165 202046893 /nfs/dbraw/zinc/04/68/93/202046893.db2.gz XMJXHUKSOQRBCD-MDZDMXLPSA-N 0 0 336.307 3.297 40 5 EGBBRN COCc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025303951 202128539 /nfs/dbraw/zinc/12/85/39/202128539.db2.gz MUBYGGXXKNKZFH-UHFFFAOYSA-N 0 0 334.759 3.325 40 5 EGBBRN Cc1c(C(=O)NC[C@H](C)N2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000040072803 202168049 /nfs/dbraw/zinc/16/80/49/202168049.db2.gz NUXKQVNAIJBPEO-ZDUSSCGKSA-N 0 0 339.395 3.084 40 5 EGBBRN O=C(/C=C/c1c(F)cccc1F)NCCNc1ccccc1[N+](=O)[O-] ZINC000040106480 202168713 /nfs/dbraw/zinc/16/87/13/202168713.db2.gz BJSNQCIPIOVDQT-CMDGGOBGSA-N 0 0 347.321 3.115 40 5 EGBBRN CCc1nc(SCc2ccc(Br)c([N+](=O)[O-])c2)n[nH]1 ZINC000193309892 201055088 /nfs/dbraw/zinc/05/50/88/201055088.db2.gz ZMIVQHJTKCFTME-UHFFFAOYSA-N 0 0 343.206 3.330 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2)C1 ZINC000025533591 212488013 /nfs/dbraw/zinc/48/80/13/212488013.db2.gz FMRVUKBFLAJEDA-INIZCTEOSA-N 0 0 327.340 3.200 40 5 EGBBRN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000045382841 202551394 /nfs/dbraw/zinc/55/13/94/202551394.db2.gz YZKXARIQVHCERQ-LBPRGKRZSA-N 0 0 344.367 3.411 40 5 EGBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000024697866 212433674 /nfs/dbraw/zinc/43/36/74/212433674.db2.gz YQURSEHHVCZQGL-QPEQYQDCSA-N 0 0 346.320 3.187 40 5 EGBBRN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)ccc1OC ZINC000024537756 212425304 /nfs/dbraw/zinc/42/53/04/212425304.db2.gz GZVKQSVBASARGX-UHFFFAOYSA-N 0 0 343.383 3.226 40 5 EGBBRN COC(=O)c1c(C)n(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000216960665 241226876 /nfs/dbraw/zinc/22/68/76/241226876.db2.gz KENDSBZOFSNNNJ-UHFFFAOYSA-N 0 0 338.319 3.333 40 5 EGBBRN COc1ccc(N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000225990112 242083945 /nfs/dbraw/zinc/08/39/45/242083945.db2.gz AUMLJSBPCBWKJB-UHFFFAOYSA-N 0 0 326.352 3.298 40 5 EGBBRN O=C(NCc1ccco1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004895878 284010479 /nfs/dbraw/zinc/01/04/79/284010479.db2.gz FGJIBAIBTSCNLH-UHFFFAOYSA-N 0 0 329.356 3.108 40 5 EGBBRN CCN(Cc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000016093137 211883630 /nfs/dbraw/zinc/88/36/30/211883630.db2.gz SVRYTVSISAUYDV-UHFFFAOYSA-N 0 0 334.397 3.114 40 5 EGBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000226862609 205160374 /nfs/dbraw/zinc/16/03/74/205160374.db2.gz PPLFEEVKVABWMX-UHFFFAOYSA-N 0 0 344.751 3.497 40 5 EGBBRN O=[N+]([O-])c1ccc(Br)cc1NCc1nnc2ccccn21 ZINC000095421279 218362984 /nfs/dbraw/zinc/36/29/84/218362984.db2.gz FFTSASQGXNPGCG-UHFFFAOYSA-N 0 0 348.160 3.012 40 5 EGBBRN CCN(Cc1ccoc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000095451718 218395575 /nfs/dbraw/zinc/39/55/75/218395575.db2.gz AOMDKUPKACZYQU-UHFFFAOYSA-N 0 0 325.324 3.398 40 5 EGBBRN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2cccnc2)o1 ZINC000053418899 207130418 /nfs/dbraw/zinc/13/04/18/207130418.db2.gz PTGKXUGVIWYMOJ-UHFFFAOYSA-N 0 0 344.352 3.211 40 5 EGBBRN COC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000006455940 257866427 /nfs/dbraw/zinc/86/64/27/257866427.db2.gz FQHLVZOUGFRCLG-DHZHZOJOSA-N 0 0 340.335 3.342 40 5 EGBBRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(F)cc1)C(C)(C)C ZINC000123749356 222328034 /nfs/dbraw/zinc/32/80/34/222328034.db2.gz OAYHNSFAHPYKGO-UHFFFAOYSA-N 0 0 348.378 3.066 40 5 EGBBRN O=c1c2ccccc2[nH]c2c(O)c3c(cc12)[nH]c1ccccc1c3=O ZINC000005647388 275043020 /nfs/dbraw/zinc/04/30/20/275043020.db2.gz GVSKEALMUDSJFY-UHFFFAOYSA-N 0 0 328.327 3.382 40 5 EGBBRN CCN1CCN(c2c(Cl)cc(Br)cc2[N+](=O)[O-])CC1 ZINC000045885932 276202580 /nfs/dbraw/zinc/20/25/80/276202580.db2.gz MCJZVDRDCSJSCO-UHFFFAOYSA-N 0 0 348.628 3.153 40 5 EGBBRN O=[N+]([O-])c1ccccc1[C@H]1[C@@H](c2ccccn2)N=C2SCCN21 ZINC000209940047 304810491 /nfs/dbraw/zinc/81/04/91/304810491.db2.gz JSVJXSLTIWCVSX-CABCVRRESA-N 0 0 326.381 3.191 40 5 EGBBRN Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)cc1 ZINC000003478181 452769945 /nfs/dbraw/zinc/76/99/45/452769945.db2.gz PBCJPMCZPBXASM-UHFFFAOYSA-N 0 0 341.396 3.168 40 5 EGBBRN O=C(COC(=O)c1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000003507420 452774166 /nfs/dbraw/zinc/77/41/66/452774166.db2.gz DQKHQGCOBHRKMK-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN O=[N+]([O-])c1ccc([C@H]2O[C@@H](c3ccc(Cl)cc3)OC[C@@H]2O)cc1 ZINC000004546694 452809236 /nfs/dbraw/zinc/80/92/36/452809236.db2.gz AJGWLCHMWYRDHW-XHSDSOJGSA-N 0 0 335.743 3.396 40 5 EGBBRN CC(C)(C)C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004840006 452821431 /nfs/dbraw/zinc/82/14/31/452821431.db2.gz GFFCJUYFYHOHSQ-UHFFFAOYSA-N 0 0 348.399 3.357 40 5 EGBBRN Cc1ccc(NC(=O)CCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000006479223 452946362 /nfs/dbraw/zinc/94/63/62/452946362.db2.gz CWRPBSXPJOYWJM-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN COc1ccccc1OCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006600670 452958874 /nfs/dbraw/zinc/95/88/74/452958874.db2.gz MHSIAAJVFXOLED-UHFFFAOYSA-N 0 0 334.303 3.150 40 5 EGBBRN Cc1nn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000006881826 453002621 /nfs/dbraw/zinc/00/26/21/453002621.db2.gz GVDSPCMLNDPVLX-UHFFFAOYSA-N 0 0 330.388 3.344 40 5 EGBBRN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCOc1ccc(Cl)cc1 ZINC000007005830 453017832 /nfs/dbraw/zinc/01/78/32/453017832.db2.gz PAKORYRBRWVMGY-UHFFFAOYSA-N 0 0 345.742 3.037 40 5 EGBBRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000010543926 453295543 /nfs/dbraw/zinc/29/55/43/453295543.db2.gz YYUDSZGFMHWKEH-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)C(C)C ZINC000014258421 453527532 /nfs/dbraw/zinc/52/75/32/453527532.db2.gz NPQBGESZHDYYCY-UHFFFAOYSA-N 0 0 347.327 3.043 40 5 EGBBRN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(-c2ccco2)on1 ZINC000016282794 453598940 /nfs/dbraw/zinc/59/89/40/453598940.db2.gz SEVATHHFCGGNRY-UHFFFAOYSA-N 0 0 343.295 3.242 40 5 EGBBRN CCOC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]21 ZINC000017212111 453630726 /nfs/dbraw/zinc/63/07/26/453630726.db2.gz CXZFJVXIIXNXKO-CGTJXYLNSA-N 0 0 338.363 3.256 40 5 EGBBRN C/C(=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000034696132 453920322 /nfs/dbraw/zinc/92/03/22/453920322.db2.gz VFBZVIWCYOLCNG-ZHACJKMWSA-N 0 0 328.280 3.452 40 5 EGBBRN Cc1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055954487 454028916 /nfs/dbraw/zinc/02/89/16/454028916.db2.gz YACQXCIQRDPTRX-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000058152025 454166058 /nfs/dbraw/zinc/16/60/58/454166058.db2.gz ZACYZKGHZJSUGI-UHFFFAOYSA-N 0 0 340.314 3.480 40 5 EGBBRN Cc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)C(C)(C)C)c1[N+](=O)[O-] ZINC000096407634 454325643 /nfs/dbraw/zinc/32/56/43/454325643.db2.gz YWIDKNVIUXBFCT-ZDUSSCGKSA-N 0 0 330.388 3.014 40 5 EGBBRN CNC(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1Cl ZINC000096427450 454340011 /nfs/dbraw/zinc/34/00/11/454340011.db2.gz ZKLYRNBEWXUOQK-UHFFFAOYSA-N 0 0 325.777 3.281 40 5 EGBBRN CCNC(=O)c1cccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000096466545 454360272 /nfs/dbraw/zinc/36/02/72/454360272.db2.gz ANLQSTXXTUOGDS-UHFFFAOYSA-N 0 0 347.346 3.104 40 5 EGBBRN COc1cc(OCC(=O)NC2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000066013901 454649344 /nfs/dbraw/zinc/64/93/44/454649344.db2.gz TYJRUIRQYBTSHU-UHFFFAOYSA-N 0 0 336.388 3.211 40 5 EGBBRN C[C@@]1(CCc2ccccc2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225348964 456078524 /nfs/dbraw/zinc/07/85/24/456078524.db2.gz IBQGXZXJRJPNGI-QGZVFWFLSA-N 0 0 342.424 3.143 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(NC2CCOCC2)cc1 ZINC000225455734 456084575 /nfs/dbraw/zinc/08/45/75/456084575.db2.gz NYAJKLMLFCODGE-UHFFFAOYSA-N 0 0 345.403 3.454 40 5 EGBBRN Cn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccccc1 ZINC000408605847 457583691 /nfs/dbraw/zinc/58/36/91/457583691.db2.gz NFURVVOTXRWPBB-UHFFFAOYSA-N 0 0 340.364 3.354 40 5 EGBBRN CCCN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409255607 457597167 /nfs/dbraw/zinc/59/71/67/457597167.db2.gz ZEXFBBLGBXEUKO-GXDHUFHOSA-N 0 0 341.323 3.158 40 5 EGBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000252485749 1296461238 /nfs/dbraw/zinc/46/12/38/1296461238.db2.gz HCUJNWLSDUYNPK-UHFFFAOYSA-N 0 0 330.256 3.105 40 5 EGBBRN CC(=O)C(C(C)=O)[C@@H](c1ccccc1)[C@@H](Cc1ccccc1)[N+](=O)[O-] ZINC000101403526 219125700 /nfs/dbraw/zinc/12/57/00/219125700.db2.gz IXJSAWCSDWQGLA-QUCCMNQESA-N 0 0 339.391 3.452 40 5 EGBBRN Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000040509248 213327206 /nfs/dbraw/zinc/32/72/06/213327206.db2.gz OCNKRKSSGPHZEH-UHFFFAOYSA-N 0 0 341.323 3.112 40 5 EGBBRN O=[N+]([O-])c1ccc(F)cc1OCc1nc(Cc2ccccc2)no1 ZINC000031647829 212740482 /nfs/dbraw/zinc/74/04/82/212740482.db2.gz YWEUWCQXUGPMGN-UHFFFAOYSA-N 0 0 329.287 3.287 40 5 EGBBRN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000036620417 213104840 /nfs/dbraw/zinc/10/48/40/213104840.db2.gz HESFCTNSWWMGIW-KRWDZBQOSA-N 0 0 346.408 3.429 40 5 EGBBRN CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000000410865 209573593 /nfs/dbraw/zinc/57/35/93/209573593.db2.gz FARNXZKMRAXXCB-ZDUSSCGKSA-N 0 0 334.401 3.144 40 5 EGBBRN O=C(c1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000072414109 216205481 /nfs/dbraw/zinc/20/54/81/216205481.db2.gz FWIZQWPIMRENQO-UHFFFAOYSA-N 0 0 338.279 3.124 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000025533586 212487741 /nfs/dbraw/zinc/48/77/41/212487741.db2.gz FMRVUKBFLAJEDA-MRXNPFEDSA-N 0 0 327.340 3.200 40 5 EGBBRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CCCO)c2)c1 ZINC000252489235 243794220 /nfs/dbraw/zinc/79/42/20/243794220.db2.gz JMBJPGFYRZMUOE-UHFFFAOYSA-N 0 0 344.367 3.171 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(-n2ccnc2)cc1 ZINC000020493098 212139601 /nfs/dbraw/zinc/13/96/01/212139601.db2.gz BDYVBVAEVDWBCH-RMKNXTFCSA-N 0 0 348.362 3.110 40 5 EGBBRN O=[N+]([O-])c1ccc(OCC2N=NC(=S)N2Cc2ccccc2)cc1 ZINC000012498938 211393377 /nfs/dbraw/zinc/39/33/77/211393377.db2.gz NSPBLZLFELVECJ-UHFFFAOYSA-N 0 0 342.380 3.102 40 5 EGBBRN Cc1cc(C)cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000009154499 211045549 /nfs/dbraw/zinc/04/55/49/211045549.db2.gz MJCALYFRMYSLTQ-UHFFFAOYSA-N 0 0 337.339 3.045 40 5 EGBBRN Cc1nn(C)c(N[C@@H](c2ccc(F)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000095397327 218330194 /nfs/dbraw/zinc/33/01/94/218330194.db2.gz ZTJHIJARIDLNLR-HNNXBMFYSA-N 0 0 341.346 3.372 40 5 EGBBRN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)c2cc(Cl)ccc21 ZINC000096425532 218794317 /nfs/dbraw/zinc/79/43/17/218794317.db2.gz DQNIIKHTLGSEDS-UHFFFAOYSA-N 0 0 335.747 3.328 40 5 EGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000005108051 210391543 /nfs/dbraw/zinc/39/15/43/210391543.db2.gz QSDIFMDZNQKZAO-UHFFFAOYSA-N 0 0 330.384 3.059 40 5 EGBBRN Cc1cc(NC(=O)COC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1C ZINC000005061991 210380335 /nfs/dbraw/zinc/38/03/35/210380335.db2.gz DTGFUCXIOKWVGU-UHFFFAOYSA-N 0 0 346.314 3.146 40 5 EGBBRN COc1cc2c(cc1OC)C(Cc1ccccc1[N+](=O)[O-])=NCC2 ZINC000005004084 210358625 /nfs/dbraw/zinc/35/86/25/210358625.db2.gz FKXCNRDYOFZHDG-UHFFFAOYSA-N 0 0 326.352 3.200 40 5 EGBBRN O=[N+]([O-])c1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 ZINC000003843121 285138701 /nfs/dbraw/zinc/13/87/01/285138701.db2.gz LWCPNBUWBVFJOI-CQSZACIVSA-N 0 0 325.353 3.201 40 5 EGBBRN O=c1oc2cc([N+](=O)[O-])ccc2n1SC(Cl)(Cl)Cl ZINC000001668482 285228584 /nfs/dbraw/zinc/22/85/84/285228584.db2.gz CNUFOIDYECYGLX-UHFFFAOYSA-N 0 0 329.548 3.327 40 5 EGBBRN Cc1c(Br)c([N+](=O)[O-])cc([N+](=O)[O-])c1Br ZINC000005536053 280199583 /nfs/dbraw/zinc/19/95/83/280199583.db2.gz CEKZLSQWJIMEHK-UHFFFAOYSA-N 0 0 339.927 3.336 40 5 EGBBRN Cc1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)n1 ZINC000195557992 323887093 /nfs/dbraw/zinc/88/70/93/323887093.db2.gz OEHPSGUQPCRSLY-UHFFFAOYSA-N 0 0 340.261 3.273 40 5 EGBBRN COC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000390833582 324283278 /nfs/dbraw/zinc/28/32/78/324283278.db2.gz JRPGKNLBXHKDCE-UHFFFAOYSA-N 0 0 332.287 3.081 40 5 EGBBRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccnn1-c1ccccc1 ZINC000241132910 455265393 /nfs/dbraw/zinc/26/53/93/455265393.db2.gz JNBUFFSEHMEOCB-UHFFFAOYSA-N 0 0 344.277 3.311 40 5 EGBBRN CCOc1ccc2ccccc2c1[C@H]1NC(=O)NC(C)=C1[N+](=O)[O-] ZINC000000358550 452570915 /nfs/dbraw/zinc/57/09/15/452570915.db2.gz KLNQSJLZUPUNNR-OAHLLOKOSA-N 0 0 327.340 3.101 40 5 EGBBRN O=[N+]([O-])c1cnc(Nc2ccccc2O)nc1Nc1ccccc1O ZINC000005390910 452867636 /nfs/dbraw/zinc/86/76/36/452867636.db2.gz ZZOPNOMJTCNSLW-UHFFFAOYSA-N 0 0 339.311 3.283 40 5 EGBBRN COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000006457997 452945560 /nfs/dbraw/zinc/94/55/60/452945560.db2.gz XHYUOHRQKUEMQH-UHFFFAOYSA-N 0 0 330.384 3.302 40 5 EGBBRN Cc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000006861510 452998764 /nfs/dbraw/zinc/99/87/64/452998764.db2.gz MDQVJOWOWGIPQX-UHFFFAOYSA-N 0 0 344.805 3.139 40 5 EGBBRN O=C(Nc1ccc(N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000008062294 453155228 /nfs/dbraw/zinc/15/52/28/453155228.db2.gz KJDIOTIILZLANV-UHFFFAOYSA-N 0 0 342.355 3.075 40 5 EGBBRN COc1c(F)c(F)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c(F)c1F ZINC000009141710 453244333 /nfs/dbraw/zinc/24/43/33/453244333.db2.gz IWKISZMZXLOJOH-UHFFFAOYSA-N 0 0 344.220 3.412 40 5 EGBBRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)nc2)c(Cl)c1 ZINC000014306766 453529213 /nfs/dbraw/zinc/52/92/13/453529213.db2.gz KVZRZPLZVICOSQ-UHFFFAOYSA-N 0 0 348.790 3.092 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000016129932 453595855 /nfs/dbraw/zinc/59/58/55/453595855.db2.gz HGIJLTVHXFMVEA-UHFFFAOYSA-N 0 0 344.751 3.497 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(C(F)(F)F)c1 ZINC000017064565 453627343 /nfs/dbraw/zinc/62/73/43/453627343.db2.gz HRYUANNHWNJJRW-UHFFFAOYSA-N 0 0 338.285 3.473 40 5 EGBBRN O=C(NCCSc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000018214459 453648747 /nfs/dbraw/zinc/64/87/47/453648747.db2.gz KXMCMOLAQDSMMU-UHFFFAOYSA-N 0 0 347.352 3.025 40 5 EGBBRN Cc1nn(C)c2nc(C)cc(C(=O)Oc3cc(C)ccc3[N+](=O)[O-])c12 ZINC000024505302 453736408 /nfs/dbraw/zinc/73/64/08/453736408.db2.gz AYMONQGVOSXMKD-UHFFFAOYSA-N 0 0 340.339 3.021 40 5 EGBBRN CS[C@@H]1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000096462878 454360476 /nfs/dbraw/zinc/36/04/76/454360476.db2.gz QKDPYVAGPGBJNT-HUUCEWRRSA-N 0 0 337.445 3.063 40 5 EGBBRN COC(=O)c1cn(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000222572267 456048723 /nfs/dbraw/zinc/04/87/23/456048723.db2.gz XJNDFPSURGWFFL-UHFFFAOYSA-N 0 0 338.319 3.219 40 5 EGBBRN Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1[N+](=O)[O-] ZINC000225020399 456072117 /nfs/dbraw/zinc/07/21/17/456072117.db2.gz RZFMFHCISUPDSD-UHFFFAOYSA-N 0 0 343.364 3.069 40 5 EGBBRN CCn1c(=O)sc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000225074317 456073248 /nfs/dbraw/zinc/07/32/48/456073248.db2.gz MPNWWSDQEHVQIG-UHFFFAOYSA-N 0 0 343.364 3.243 40 5 EGBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)S2)cc1 ZINC000408773121 457588106 /nfs/dbraw/zinc/58/81/06/457588106.db2.gz STHSQMLYBSNBRS-RCBBPTIPSA-N 0 0 345.380 3.350 40 5 EGBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000409012018 457590752 /nfs/dbraw/zinc/59/07/52/457590752.db2.gz ILCBAWNWNGVMEV-TVNQGELYSA-N 0 0 336.369 3.438 40 5 EGBBRN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000390834192 526224398 /nfs/dbraw/zinc/22/43/98/526224398.db2.gz UKKGFARIGUBIJA-CYBMUJFWSA-N 0 0 342.399 3.343 40 5 EGBBRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC)c2nccs2)c1 ZINC000225778597 535428551 /nfs/dbraw/zinc/42/85/51/535428551.db2.gz CRHUREDBYNZTBH-LBPRGKRZSA-N 0 0 335.385 3.331 40 5 EGBBRN NC(=O)/C=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409416225 1297768328 /nfs/dbraw/zinc/76/83/28/1297768328.db2.gz JKCYJDXKBDEIPH-YWEYNIOJSA-N 0 0 332.743 3.326 40 5 EGBBRN CCC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000055012693 214263187 /nfs/dbraw/zinc/26/31/87/214263187.db2.gz CMAUPVYKISNFAW-UHFFFAOYSA-N 0 0 343.339 3.204 40 5 EGBBRN Cc1ccccc1OCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000055954538 214350760 /nfs/dbraw/zinc/35/07/60/214350760.db2.gz XTRYLLCHBMEDHY-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN COc1cc(OCC(=O)Nc2ccc(C)c(C)c2)ccc1[N+](=O)[O-] ZINC000066012976 215002771 /nfs/dbraw/zinc/00/27/71/215002771.db2.gz KRFRVQJXXZYBBA-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000066025232 215002909 /nfs/dbraw/zinc/00/29/09/215002909.db2.gz ICKMZNKEJNGVMO-UHFFFAOYSA-N 0 0 346.339 3.020 40 5 EGBBRN Cc1ccccc1N1C(=O)C(=Cc2csc([N+](=O)[O-])c2)NC1=S ZINC000103582003 219314388 /nfs/dbraw/zinc/31/43/88/219314388.db2.gz BXPIUSUPQUQNCK-WDZFZDKYSA-N 0 0 345.405 3.227 40 5 EGBBRN CCOc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000038753152 213223493 /nfs/dbraw/zinc/22/34/93/213223493.db2.gz DJIZKGFAPSZKDP-FMIVXFBMSA-N 0 0 326.352 3.323 40 5 EGBBRN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3ccccc32)nc1NC1CC1 ZINC000037171486 213134546 /nfs/dbraw/zinc/13/45/46/213134546.db2.gz KDEBWVYZUDWWAJ-CQSZACIVSA-N 0 0 325.372 3.449 40 5 EGBBRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000036830093 213120983 /nfs/dbraw/zinc/12/09/83/213120983.db2.gz FHWWOSHULUAKIN-CYBMUJFWSA-N 0 0 348.424 3.191 40 5 EGBBRN CO[C@]1(C)C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000072511836 216265273 /nfs/dbraw/zinc/26/52/73/216265273.db2.gz CFZFRVBDDAMYQY-IAQYHMDHSA-N 0 0 326.780 3.182 40 5 EGBBRN CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000022259335 212285892 /nfs/dbraw/zinc/28/58/92/212285892.db2.gz ASBKZTKABCORIG-UHFFFAOYSA-N 0 0 330.340 3.183 40 5 EGBBRN CC(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223737182 241684577 /nfs/dbraw/zinc/68/45/77/241684577.db2.gz SHUQSELSIKQNAB-UHFFFAOYSA-N 0 0 334.397 3.197 40 5 EGBBRN NC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000226334748 242098868 /nfs/dbraw/zinc/09/88/68/242098868.db2.gz JKCYJDXKBDEIPH-XBXARRHUSA-N 0 0 332.743 3.326 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCCCn1ccc2ccccc21 ZINC000021359990 212221722 /nfs/dbraw/zinc/22/17/22/212221722.db2.gz VCEKNSAZNSHPFR-UHFFFAOYSA-N 0 0 337.379 3.299 40 5 EGBBRN CNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] ZINC000020897726 212183213 /nfs/dbraw/zinc/18/32/13/212183213.db2.gz XAOSXIAXILUFMI-UHFFFAOYSA-N 0 0 326.312 3.362 40 5 EGBBRN CC(C)(C)OC(=O)COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012044409 211283458 /nfs/dbraw/zinc/28/34/58/211283458.db2.gz MONGGAHYKRSTIP-FNORWQNLSA-N 0 0 341.747 3.146 40 5 EGBBRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000009500506 211094204 /nfs/dbraw/zinc/09/42/04/211094204.db2.gz AFBIPSIUUQXAFC-UHFFFAOYSA-N 0 0 339.351 3.048 40 5 EGBBRN Cc1cccc(N(C)C(=O)c2cc(OC(C)C)ccc2[N+](=O)[O-])n1 ZINC000095401654 218336660 /nfs/dbraw/zinc/33/66/60/218336660.db2.gz CYJKYOAZEZUPMK-UHFFFAOYSA-N 0 0 329.356 3.362 40 5 EGBBRN O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c2sc3c(c21)CCCC3 ZINC000008701887 210983089 /nfs/dbraw/zinc/98/30/89/210983089.db2.gz PGKKSSRLXTZLGF-UHFFFAOYSA-N 0 0 327.365 3.439 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000006029344 210579807 /nfs/dbraw/zinc/57/98/07/210579807.db2.gz WVKJABCPGMXISL-UHFFFAOYSA-N 0 0 345.311 3.137 40 5 EGBBRN O=c1/c(=C/C=C/c2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12 ZINC000005615398 257867168 /nfs/dbraw/zinc/86/71/68/257867168.db2.gz QFBXXLSYFXNNEL-DORXXBADSA-N 0 0 349.371 3.030 40 5 EGBBRN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1cccc([N+](=O)[O-])c1)c3=O ZINC000223095916 274412297 /nfs/dbraw/zinc/41/22/97/274412297.db2.gz WPDFKJDCJSBAKQ-LLVKDONJSA-N 0 0 349.346 3.279 40 5 EGBBRN O=C(OCC(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001666064 452672106 /nfs/dbraw/zinc/67/21/06/452672106.db2.gz BFXMGIIKWMJVFQ-UHFFFAOYSA-N 0 0 343.506 3.030 40 5 EGBBRN Cc1cc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000003521040 452777681 /nfs/dbraw/zinc/77/76/81/452777681.db2.gz MWBWWIXEWUNFQG-ZDUSSCGKSA-N 0 0 342.351 3.112 40 5 EGBBRN CCOc1ccc(Nc2nc(-n3ccnc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000005386259 452864414 /nfs/dbraw/zinc/86/44/14/452864414.db2.gz UZAKPMFCBYXBMP-UHFFFAOYSA-N 0 0 340.343 3.021 40 5 EGBBRN C[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000006860219 452997566 /nfs/dbraw/zinc/99/75/66/452997566.db2.gz XYKCRPWCZWKBME-KBPBESRZSA-N 0 0 340.379 3.439 40 5 EGBBRN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000014256183 453526393 /nfs/dbraw/zinc/52/63/93/453526393.db2.gz SELIJGXPRDCQPL-UHFFFAOYSA-N 0 0 336.369 3.103 40 5 EGBBRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC000014258175 453528171 /nfs/dbraw/zinc/52/81/71/453528171.db2.gz YEGIHOKXJPIDLD-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014401897 453533931 /nfs/dbraw/zinc/53/39/31/453533931.db2.gz VLIIZIDBZGBALP-MRXNPFEDSA-N 0 0 330.340 3.400 40 5 EGBBRN CSc1ccccc1NC(=O)CSc1n[nH]c(C)c1[N+](=O)[O-] ZINC000015962206 453590321 /nfs/dbraw/zinc/59/03/21/453590321.db2.gz YQLYEWATQLZHKI-UHFFFAOYSA-N 0 0 338.414 3.079 40 5 EGBBRN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000024151643 453727031 /nfs/dbraw/zinc/72/70/31/453727031.db2.gz MLOUWHBJMJKUJG-SFHVURJKSA-N 0 0 336.347 3.211 40 5 EGBBRN CCOc1cc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)ccc1OC ZINC000085385026 454025027 /nfs/dbraw/zinc/02/50/27/454025027.db2.gz BAVDJIOYNSQXIP-UHFFFAOYSA-N 0 0 340.339 3.454 40 5 EGBBRN CCN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Br)CC1 ZINC000045885914 454193002 /nfs/dbraw/zinc/19/30/02/454193002.db2.gz FOGAPMVZVPDZIA-UHFFFAOYSA-N 0 0 348.628 3.153 40 5 EGBBRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H]1C2 ZINC000096484544 454366539 /nfs/dbraw/zinc/36/65/39/454366539.db2.gz OVGOIGDAFZOGBD-WCBMZHEXSA-N 0 0 340.177 3.374 40 5 EGBBRN COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000073640235 454462401 /nfs/dbraw/zinc/46/24/01/454462401.db2.gz KHCSWOMEXASPKW-UHFFFAOYSA-N 0 0 326.102 3.404 40 5 EGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000065518800 454581383 /nfs/dbraw/zinc/58/13/83/454581383.db2.gz VTCYMNSRXZRSTD-FQEVSTJZSA-N 0 0 347.374 3.438 40 5 EGBBRN CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000182844525 455176312 /nfs/dbraw/zinc/17/63/12/455176312.db2.gz OTHXIERXPHNYBA-UHFFFAOYSA-N 0 0 344.751 3.212 40 5 EGBBRN CCOc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000159688911 455396453 /nfs/dbraw/zinc/39/64/53/455396453.db2.gz ZLTNVERYCYVZOD-UHFFFAOYSA-N 0 0 333.369 3.119 40 5 EGBBRN CCOc1cc(Cn2cnc3c(C)csc3c2=O)ccc1[N+](=O)[O-] ZINC000278683145 455844730 /nfs/dbraw/zinc/84/47/30/455844730.db2.gz HXCXEALRFAYVNA-UHFFFAOYSA-N 0 0 345.380 3.122 40 5 EGBBRN Cc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000194632059 455866776 /nfs/dbraw/zinc/86/67/76/455866776.db2.gz FQCUOEKLHCMASC-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CCCSc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000222723164 456049606 /nfs/dbraw/zinc/04/96/06/456049606.db2.gz DPMOIFAMVHRQCZ-UHFFFAOYSA-N 0 0 338.414 3.130 40 5 EGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1 ZINC000222773077 456051137 /nfs/dbraw/zinc/05/11/37/456051137.db2.gz CCXWUSIJVVKSFE-UHFFFAOYSA-N 0 0 342.376 3.227 40 5 EGBBRN Cc1cccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000223897257 456062311 /nfs/dbraw/zinc/06/23/11/456062311.db2.gz GCUBKIODABPJCP-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000223977416 456063431 /nfs/dbraw/zinc/06/34/31/456063431.db2.gz FCJYSPALFXQRBO-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN COc1ccccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000408723807 457587883 /nfs/dbraw/zinc/58/78/83/457587883.db2.gz PYJGQVVUTVKSCR-UHFFFAOYSA-N 0 0 332.381 3.475 40 5 EGBBRN COc1ccc(C(=O)Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(O)c1 ZINC000409393710 457598243 /nfs/dbraw/zinc/59/82/43/457598243.db2.gz ZDXDNCKINSIZMW-UHFFFAOYSA-N 0 0 345.336 3.118 40 5 EGBBRN CCCCN(C)c1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000199827330 564124829 /nfs/dbraw/zinc/12/48/29/564124829.db2.gz SKDCRYCHZYUOLP-UHFFFAOYSA-N 0 0 336.783 3.413 40 5 EGBBRN CCOC(=O)C1C(=O)c2c(ccc3cc4ccccc4cc23)N1C(C)=O ZINC000096169040 1424787845 /nfs/dbraw/zinc/78/78/45/1424787845.db2.gz KJJIJAASDWFDIC-LJQANCHMSA-N 0 0 347.370 3.474 40 5 EGBBRN CCCCCCNC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000002805371 209919193 /nfs/dbraw/zinc/91/91/93/209919193.db2.gz HCZQZYCEDZBDRG-UHFFFAOYSA-N 0 0 346.387 3.138 40 5 EGBBRN O=[N+]([O-])c1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2SCCN21 ZINC000068561749 215318284 /nfs/dbraw/zinc/31/82/84/215318284.db2.gz JSVJXSLTIWCVSX-HUUCEWRRSA-N 0 0 326.381 3.191 40 5 EGBBRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001465182 209752283 /nfs/dbraw/zinc/75/22/83/209752283.db2.gz LBIJLXUCOCXIOP-LFYBBSHMSA-N 0 0 340.335 3.423 40 5 EGBBRN O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000036392637 213095559 /nfs/dbraw/zinc/09/55/59/213095559.db2.gz WHEYNPAIHFIBAE-UHFFFAOYSA-N 0 0 336.307 3.429 40 5 EGBBRN CC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000024520917 212424220 /nfs/dbraw/zinc/42/42/20/212424220.db2.gz CQCRWKLRDNLMNF-UHFFFAOYSA-N 0 0 328.324 3.123 40 5 EGBBRN O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3O2)c2ccncc21 ZINC000023381073 212373241 /nfs/dbraw/zinc/37/32/41/212373241.db2.gz LTWUULFKTKHLLR-GFCCVEGCSA-N 0 0 337.335 3.395 40 5 EGBBRN CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c1 ZINC000225817515 242050372 /nfs/dbraw/zinc/05/03/72/242050372.db2.gz AQTJJYGBKJMYPA-UHFFFAOYSA-N 0 0 341.367 3.159 40 5 EGBBRN CCc1cccc(C)c1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020111279 212101798 /nfs/dbraw/zinc/10/17/98/212101798.db2.gz MRKGGBDYNNYVLM-UHFFFAOYSA-N 0 0 334.397 3.408 40 5 EGBBRN CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000018131775 211983029 /nfs/dbraw/zinc/98/30/29/211983029.db2.gz DICYWXHZXGOMKO-INIZCTEOSA-N 0 0 328.368 3.413 40 5 EGBBRN C[C@@H]1CCc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000011429034 211216176 /nfs/dbraw/zinc/21/61/76/211216176.db2.gz RIZYVBFZTOFJLO-SNVBAGLBSA-N 0 0 331.397 3.357 40 5 EGBBRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000010542671 211180451 /nfs/dbraw/zinc/18/04/51/211180451.db2.gz LZAYAMWACOLQOK-UHFFFAOYSA-N 0 0 344.367 3.321 40 5 EGBBRN COC(=O)c1ccc(Cn2cc(/C=C/[N+](=O)[O-])c3ccccc32)o1 ZINC000009265629 211059246 /nfs/dbraw/zinc/05/92/46/211059246.db2.gz MFXOUOVUVYSRJD-CMDGGOBGSA-N 0 0 326.308 3.317 40 5 EGBBRN Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)NCc2ccco2)CC1 ZINC000095406084 218342119 /nfs/dbraw/zinc/34/21/19/218342119.db2.gz IUWSETXRXVNPOX-UHFFFAOYSA-N 0 0 343.383 3.029 40 5 EGBBRN CC1=NN(c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000095436576 218379289 /nfs/dbraw/zinc/37/92/89/218379289.db2.gz SWIYYOWIXRYURM-UHFFFAOYSA-N 0 0 338.367 3.457 40 5 EGBBRN COc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000006061813 210582362 /nfs/dbraw/zinc/58/23/62/210582362.db2.gz WVPSTOMAZBABDB-NSHDSACASA-N 0 0 346.339 3.018 40 5 EGBBRN O=[N+]([O-])c1ccc(N2CCCN(c3nccs3)CC2)c(Cl)c1 ZINC000058158422 285122841 /nfs/dbraw/zinc/12/28/41/285122841.db2.gz FJWWCEUEOZQDKI-UHFFFAOYSA-N 0 0 338.820 3.421 40 5 EGBBRN O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)c1cccs1 ZINC000004893618 210314666 /nfs/dbraw/zinc/31/46/66/210314666.db2.gz DIPWUHJEQBISSC-UHFFFAOYSA-N 0 0 346.393 3.351 40 5 EGBBRN COc1ccc(OC[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000010542523 257860545 /nfs/dbraw/zinc/86/05/45/257860545.db2.gz MGAQJMAMTKALQD-GFCCVEGCSA-N 0 0 344.367 3.109 40 5 EGBBRN Cc1cc2cc3c4c(nn5nnnc5c4c2o1)-c1ccccc1CC3 ZINC000001580055 292020240 /nfs/dbraw/zinc/02/02/40/292020240.db2.gz UXRGPBBEYHLJPP-UHFFFAOYSA-N 0 0 327.347 3.493 40 5 EGBBRN Cc1c(C)c([N+](=O)[O-])c(I)c(C)c1[N+](=O)[O-] ZINC000005046282 280223001 /nfs/dbraw/zinc/22/30/01/280223001.db2.gz OHROOJAISQTRRV-UHFFFAOYSA-N 0 0 336.085 3.033 40 5 EGBBRN Cc1ccc(C2=NN[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1 ZINC000000048428 280801602 /nfs/dbraw/zinc/80/16/02/280801602.db2.gz IZQJDPVFEQJKHZ-MRXNPFEDSA-N 0 0 343.364 3.329 40 5 EGBBRN Cc1c([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2C(C)C)nn1C ZINC000225586406 301012673 /nfs/dbraw/zinc/01/26/73/301012673.db2.gz ODAXWJOCINDZPJ-AWEZNQCLSA-N 0 0 342.399 3.254 40 5 EGBBRN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CN(C)O[C@@]32[N+](=O)[O-])cc1 ZINC000001068982 301774266 /nfs/dbraw/zinc/77/42/66/301774266.db2.gz AQLJSGVNGNMVKT-SZMVWBNQSA-N 0 0 326.352 3.062 40 5 EGBBRN CCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000070751 452498587 /nfs/dbraw/zinc/49/85/87/452498587.db2.gz GSYGLLMVINPLGH-WJDWOHSUSA-N 0 0 338.319 3.338 40 5 EGBBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000000505922 452610428 /nfs/dbraw/zinc/61/04/28/452610428.db2.gz QAIOITXZNPZEAO-UHFFFAOYSA-N 0 0 347.371 3.478 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000003619014 452783029 /nfs/dbraw/zinc/78/30/29/452783029.db2.gz KYYHOZMBIXBKGI-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000006597545 452959238 /nfs/dbraw/zinc/95/92/38/452959238.db2.gz VSLDAYCMXWAJJB-UHFFFAOYSA-N 0 0 328.324 3.057 40 5 EGBBRN C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007307977 453057730 /nfs/dbraw/zinc/05/77/30/453057730.db2.gz ZFSWUVFJSVEQIY-SNVBAGLBSA-N 0 0 340.788 3.288 40 5 EGBBRN Cc1cccc(CCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000010110831 453274492 /nfs/dbraw/zinc/27/44/92/453274492.db2.gz LOGAAMAECIWOQC-UHFFFAOYSA-N 0 0 348.424 3.123 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])n1cccc/c1=N\C1CCCCC1 ZINC000014119479 453507442 /nfs/dbraw/zinc/50/74/42/453507442.db2.gz HVGSDNIKADCKOL-HTXNQAPBSA-N 0 0 325.368 3.318 40 5 EGBBRN CC(=O)c1ccc(OCCC(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000024201756 453728230 /nfs/dbraw/zinc/72/82/30/453728230.db2.gz PLNYPSPYOGBPAD-UHFFFAOYSA-N 0 0 343.335 3.310 40 5 EGBBRN CC(=O)N1CCCN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000081526134 453883071 /nfs/dbraw/zinc/88/30/71/453883071.db2.gz VVSHJNQPWPEEFH-UHFFFAOYSA-N 0 0 331.397 3.420 40 5 EGBBRN CC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000032743520 453888209 /nfs/dbraw/zinc/88/82/09/453888209.db2.gz SNGBQPMUMCFRIL-UHFFFAOYSA-N 0 0 331.294 3.036 40 5 EGBBRN Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000044846815 454122094 /nfs/dbraw/zinc/12/20/94/454122094.db2.gz XYLKDEXAJOSRQD-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN COCCN(Cc1ccc(C)o1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000096470726 454361176 /nfs/dbraw/zinc/36/11/76/454361176.db2.gz QHMQSGBTERZBCF-UHFFFAOYSA-N 0 0 347.371 3.485 40 5 EGBBRN Cc1nc(NC(=O)c2nc(C(C)C)ncc2Cl)ccc1[N+](=O)[O-] ZINC000096475314 454362718 /nfs/dbraw/zinc/36/27/18/454362718.db2.gz SWYVDSUNXBWVIC-UHFFFAOYSA-N 0 0 335.751 3.117 40 5 EGBBRN CCc1nc(SCc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000073639583 454462155 /nfs/dbraw/zinc/46/21/55/454462155.db2.gz CFECAYJYZMEARY-UHFFFAOYSA-N 0 0 343.206 3.330 40 5 EGBBRN O=[N+]([O-])c1c(F)cccc1N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000153982228 454853872 /nfs/dbraw/zinc/85/38/72/454853872.db2.gz XJYLHKLBDOZGLN-YOEHRIQHSA-N 0 0 346.358 3.063 40 5 EGBBRN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000223184475 456053629 /nfs/dbraw/zinc/05/36/29/456053629.db2.gz ZSWJBBIOUOWFDO-GFCCVEGCSA-N 0 0 346.408 3.123 40 5 EGBBRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000223871468 456061649 /nfs/dbraw/zinc/06/16/49/456061649.db2.gz XZXHKCHJNYOHRH-UHFFFAOYSA-N 0 0 348.424 3.198 40 5 EGBBRN Cc1ccc(C)c(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000223976689 456062971 /nfs/dbraw/zinc/06/29/71/456062971.db2.gz GBZRVSQIGGMHOD-JXMROGBWSA-N 0 0 340.379 3.420 40 5 EGBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408729553 457588029 /nfs/dbraw/zinc/58/80/29/457588029.db2.gz CIYDDXMEOXUPSZ-AWEZNQCLSA-N 0 0 349.412 3.137 40 5 EGBBRN O=C1NC(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000409020914 457592305 /nfs/dbraw/zinc/59/23/05/457592305.db2.gz VQOKWNSXNMZYAE-MDWZMJQESA-N 0 0 343.726 3.346 40 5 EGBBRN O=C(NCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000177045410 534379419 /nfs/dbraw/zinc/37/94/19/534379419.db2.gz XDLSFXLSZUYQOK-UHFFFAOYSA-N 0 0 334.759 3.195 40 5 EGBBRN O=C1C[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000129399427 534779187 /nfs/dbraw/zinc/77/91/87/534779187.db2.gz PJJQMJZFAJYPPE-MRVPVSSYSA-N 0 0 344.198 3.324 40 5 EGBBRN CCCCCc1nnc2n1N=C(c1cccc([N+](=O)[O-])c1)CS2 ZINC000027525977 1291288908 /nfs/dbraw/zinc/28/89/08/1291288908.db2.gz DHLKGEIPTIJWBU-UHFFFAOYSA-N 0 0 331.401 3.277 40 5 EGBBRN O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1)N1CCCCCC1 ZINC001504308197 1396271586 /nfs/dbraw/zinc/27/15/86/1396271586.db2.gz GPCNFSIZLOQAFH-HNNXBMFYSA-N 0 0 331.416 3.214 40 5 EGBBRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004039220 210105647 /nfs/dbraw/zinc/10/56/47/210105647.db2.gz ZZJINROTVCCQRB-LLVKDONJSA-N 0 0 346.339 3.018 40 5 EGBBRN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(Cl)c1 ZINC000040113629 213267835 /nfs/dbraw/zinc/26/78/35/213267835.db2.gz VTPURNCYCNMLBH-UHFFFAOYSA-N 0 0 349.774 3.099 40 5 EGBBRN Cc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000000115476 209430857 /nfs/dbraw/zinc/43/08/57/209430857.db2.gz OTWCGMBEQYZZAP-UHFFFAOYSA-N 0 0 330.340 3.311 40 5 EGBBRN Cc1nc(C(C)(C)NCC(=O)Nc2ccccc2[N+](=O)[O-])sc1C ZINC000072866431 216322937 /nfs/dbraw/zinc/32/29/37/216322937.db2.gz MRFPEDGYIATIFH-UHFFFAOYSA-N 0 0 348.428 3.132 40 5 EGBBRN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cccs1 ZINC000195576735 241023352 /nfs/dbraw/zinc/02/33/52/241023352.db2.gz MALSBNGTZHTDQR-SNVBAGLBSA-N 0 0 340.426 3.275 40 5 EGBBRN Nc1nnc(/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000216906268 241218848 /nfs/dbraw/zinc/21/88/48/241218848.db2.gz RKRSPZSOVVJLNW-RMKNXTFCSA-N 0 0 338.323 3.309 40 5 EGBBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000218131162 241299433 /nfs/dbraw/zinc/29/94/33/241299433.db2.gz PJOFFEQYKPSCCQ-CQSZACIVSA-N 0 0 328.368 3.409 40 5 EGBBRN Cc1ccc(NC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000075499116 216626092 /nfs/dbraw/zinc/62/60/92/216626092.db2.gz QVOWTJHKDZSYTQ-CQSZACIVSA-N 0 0 341.371 3.017 40 5 EGBBRN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000223185880 241611780 /nfs/dbraw/zinc/61/17/80/241611780.db2.gz MALJTRGNABYYMS-GFCCVEGCSA-N 0 0 346.408 3.123 40 5 EGBBRN O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000020496207 212140722 /nfs/dbraw/zinc/14/07/22/212140722.db2.gz ATQUGWSYYNOGGI-UHFFFAOYSA-N 0 0 328.259 3.036 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000020491839 212139198 /nfs/dbraw/zinc/13/91/98/212139198.db2.gz CZOPETZCOIZKEV-MRXNPFEDSA-N 0 0 346.408 3.259 40 5 EGBBRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020489648 212138783 /nfs/dbraw/zinc/13/87/83/212138783.db2.gz YOXWXBJLPSIFRZ-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000020460665 212133836 /nfs/dbraw/zinc/13/38/36/212133836.db2.gz GPBUKVMUVZEVPP-CQSZACIVSA-N 0 0 348.424 3.392 40 5 EGBBRN CCOc1cccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000020104173 212101562 /nfs/dbraw/zinc/10/15/62/212101562.db2.gz IAKQPEBWJSHFRF-MDZDMXLPSA-N 0 0 326.352 3.323 40 5 EGBBRN NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000085346867 217660700 /nfs/dbraw/zinc/66/07/00/217660700.db2.gz MOKLDMMDWWQYRS-ZZXKWVIFSA-N 0 0 337.129 3.116 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCC2)cc1 ZINC000010429677 211170836 /nfs/dbraw/zinc/17/08/36/211170836.db2.gz HYTMQQWUBWKQGW-UHFFFAOYSA-N 0 0 325.368 3.376 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NCc1csc(-c2cnn(C)c2)n1 ZINC000095410024 218346397 /nfs/dbraw/zinc/34/63/97/218346397.db2.gz YMNANLSCYZFJQU-UHFFFAOYSA-N 0 0 345.384 3.073 40 5 EGBBRN Cc1cc(F)cc(C(=O)NC[C@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000095411913 218348902 /nfs/dbraw/zinc/34/89/02/218348902.db2.gz QPIMFQYWLZDOFG-LBPRGKRZSA-N 0 0 344.342 3.023 40 5 EGBBRN C[C@@H](CCc1ccccc1)NC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000008193551 210910897 /nfs/dbraw/zinc/91/08/97/210910897.db2.gz GFZYCAOPEPDYAT-AWEZNQCLSA-N 0 0 327.384 3.144 40 5 EGBBRN O=C(NCCSCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000007637760 210822813 /nfs/dbraw/zinc/82/28/13/210822813.db2.gz DNIAFUVOTPAYQE-UHFFFAOYSA-N 0 0 334.372 3.397 40 5 EGBBRN Cc1ccc([C@@H]2CCCCCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000096414211 218771378 /nfs/dbraw/zinc/77/13/78/218771378.db2.gz DHNDURVLGRPGGE-AWEZNQCLSA-N 0 0 346.387 3.145 40 5 EGBBRN C[C@@H](c1ccccn1)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000330033185 258001838 /nfs/dbraw/zinc/00/18/38/258001838.db2.gz XEFDQLYBAFGTCG-AWEZNQCLSA-N 0 0 344.390 3.008 40 5 EGBBRN Cc1c(Cl)cccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224751148 300959229 /nfs/dbraw/zinc/95/92/29/300959229.db2.gz IRSLQRLGSCFVRY-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN O=C(NCCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCCC1 ZINC000088500254 323214818 /nfs/dbraw/zinc/21/48/18/323214818.db2.gz BYZGTEZSFQXLLW-UHFFFAOYSA-N 0 0 342.399 3.155 40 5 EGBBRN CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1cccs1 ZINC000000035106 452494452 /nfs/dbraw/zinc/49/44/52/452494452.db2.gz RGBRYXSSNGSIMJ-UHFFFAOYSA-N 0 0 341.348 3.276 40 5 EGBBRN CC(C)(C)C(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004745116 452817105 /nfs/dbraw/zinc/81/71/05/452817105.db2.gz LDGRZXBFYXZTNQ-UHFFFAOYSA-N 0 0 332.356 3.256 40 5 EGBBRN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005415949 452868714 /nfs/dbraw/zinc/86/87/14/452868714.db2.gz PCQZDTRKWNZEFC-UHFFFAOYSA-N 0 0 326.761 3.357 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005547426 452882702 /nfs/dbraw/zinc/88/27/02/452882702.db2.gz JDHHKSVUSFWQKU-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000005921593 452909710 /nfs/dbraw/zinc/90/97/10/452909710.db2.gz UKNKEBBQBQAGBO-UHFFFAOYSA-N 0 0 346.339 3.181 40 5 EGBBRN COc1ccc2[nH]cc(CCNC(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000005918451 452911002 /nfs/dbraw/zinc/91/10/02/452911002.db2.gz VANLHLVMKRJRIB-UHFFFAOYSA-N 0 0 339.351 3.057 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 ZINC000006314247 452933185 /nfs/dbraw/zinc/93/31/85/452933185.db2.gz CAWHOFYQMMKEAE-LLVKDONJSA-N 0 0 338.360 3.082 40 5 EGBBRN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000007308781 453057478 /nfs/dbraw/zinc/05/74/78/453057478.db2.gz JBJNSFUVERGVIR-INIZCTEOSA-N 0 0 334.397 3.333 40 5 EGBBRN O=C(CSc1ncnc2ccsc21)Nc1cccc([N+](=O)[O-])c1 ZINC000014017975 453499657 /nfs/dbraw/zinc/49/96/57/453499657.db2.gz WQDJPWDMNWHXAV-UHFFFAOYSA-N 0 0 346.393 3.330 40 5 EGBBRN O=[N+]([O-])c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000014291475 453529014 /nfs/dbraw/zinc/52/90/14/453529014.db2.gz SYKMEJBKPUXXEL-UHFFFAOYSA-N 0 0 326.761 3.190 40 5 EGBBRN COc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000029046201 453825981 /nfs/dbraw/zinc/82/59/81/453825981.db2.gz HPUDJDALXSOFDD-UHFFFAOYSA-N 0 0 336.369 3.021 40 5 EGBBRN CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000042006585 453988498 /nfs/dbraw/zinc/98/84/98/453988498.db2.gz SQRGUQAXUQMJIJ-UHFFFAOYSA-N 0 0 342.323 3.088 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)[C@H]1CCCOC1 ZINC000087390006 454081900 /nfs/dbraw/zinc/08/19/00/454081900.db2.gz OLLUSGPCZAEIRJ-LBPRGKRZSA-N 0 0 346.305 3.087 40 5 EGBBRN O=c1ccn(Cc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000130795379 454219137 /nfs/dbraw/zinc/21/91/37/454219137.db2.gz JRWDKWAUMISOLZ-UHFFFAOYSA-N 0 0 343.564 3.221 40 5 EGBBRN COc1ccc(-c2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000062718903 454385679 /nfs/dbraw/zinc/38/56/79/454385679.db2.gz FGMBWCFFAXJEGP-UHFFFAOYSA-N 0 0 326.312 3.064 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000224765543 456069913 /nfs/dbraw/zinc/06/99/13/456069913.db2.gz NRMAJRZOXYYADR-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000224767492 456070035 /nfs/dbraw/zinc/07/00/35/456070035.db2.gz PZCFGXLPUXNFAY-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225028479 456072279 /nfs/dbraw/zinc/07/22/79/456072279.db2.gz GHTAVAMHIZMJNE-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN O=C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000409392063 457598801 /nfs/dbraw/zinc/59/88/01/457598801.db2.gz NQYVMETWQCEGST-UHFFFAOYSA-N 0 0 344.308 3.312 40 5 EGBBRN COc1cc(OCC(=O)Nc2cccc(SC)c2)ccc1[N+](=O)[O-] ZINC000066013043 215003233 /nfs/dbraw/zinc/00/32/33/215003233.db2.gz GDIOJZJOURSZQL-UHFFFAOYSA-N 0 0 348.380 3.343 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccccc2)S3)cc1 ZINC000003843207 210078243 /nfs/dbraw/zinc/07/82/43/210078243.db2.gz MXEGKNOWKNXKRT-CQSZACIVSA-N 0 0 325.353 3.201 40 5 EGBBRN COC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003145577 209970599 /nfs/dbraw/zinc/97/05/99/209970599.db2.gz IBOVMWJWMACFGT-NYYWCZLTSA-N 0 0 326.308 3.033 40 5 EGBBRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000036830090 213120815 /nfs/dbraw/zinc/12/08/15/213120815.db2.gz FHWWOSHULUAKIN-ZDUSSCGKSA-N 0 0 348.424 3.191 40 5 EGBBRN COc1ccc(OC)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000225991249 242084094 /nfs/dbraw/zinc/08/40/94/242084094.db2.gz VZLNRYZVGGWAOM-UHFFFAOYSA-N 0 0 342.351 3.282 40 5 EGBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1 ZINC000225859728 242064490 /nfs/dbraw/zinc/06/44/90/242064490.db2.gz COTKJQUUSZDBHW-UHFFFAOYSA-N 0 0 341.367 3.449 40 5 EGBBRN Cc1cc(C)c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000020489887 212138153 /nfs/dbraw/zinc/13/81/53/212138153.db2.gz CZERFUXUKMAGMA-UHFFFAOYSA-N 0 0 334.397 3.462 40 5 EGBBRN CC(C)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000079936467 217265982 /nfs/dbraw/zinc/26/59/82/217265982.db2.gz PEKFYARZZBEMGS-UHFFFAOYSA-N 0 0 343.265 3.107 40 5 EGBBRN O=C(Nc1ccccc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000080001039 217270117 /nfs/dbraw/zinc/27/01/17/217270117.db2.gz BEJVMGFVTYLWBZ-UHFFFAOYSA-N 0 0 337.129 3.315 40 5 EGBBRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000081367515 217390303 /nfs/dbraw/zinc/39/03/03/217390303.db2.gz INEZJZTYPGPZLT-UHFFFAOYSA-N 0 0 344.342 3.170 40 5 EGBBRN O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccncc1 ZINC000012560388 211410126 /nfs/dbraw/zinc/41/01/26/211410126.db2.gz VTXFBZPVEMGAHK-DAFODLJHSA-N 0 0 335.266 3.243 40 5 EGBBRN O=[N+]([O-])c1cccc([C@@H](O)CSc2ncn(-c3ccccc3)n2)c1 ZINC000095432528 218374420 /nfs/dbraw/zinc/37/44/20/218374420.db2.gz IQIJABCZDXPSOD-HNNXBMFYSA-N 0 0 342.380 3.001 40 5 EGBBRN Cc1cc(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000003521041 208565873 /nfs/dbraw/zinc/56/58/73/208565873.db2.gz MWBWWIXEWUNFQG-CYBMUJFWSA-N 0 0 342.351 3.112 40 5 EGBBRN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000006315836 257866862 /nfs/dbraw/zinc/86/68/62/257866862.db2.gz LYDXOAGEADAEFX-UHFFFAOYSA-N 0 0 336.369 3.103 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000040119498 257854041 /nfs/dbraw/zinc/85/40/41/257854041.db2.gz QVXRRNFXBKFXLT-UHFFFAOYSA-N 0 0 338.323 3.041 40 5 EGBBRN COc1ccc([C@H]2SCC(=O)N2Nc2ccccc2)cc1[N+](=O)[O-] ZINC000039377173 257854918 /nfs/dbraw/zinc/85/49/18/257854918.db2.gz QCVMAMUQUIPXBM-MRXNPFEDSA-N 0 0 345.380 3.205 40 5 EGBBRN O=C(Nc1ccnn1CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000123352178 222262184 /nfs/dbraw/zinc/26/21/84/222262184.db2.gz AVEMFUHGFSLJBB-UHFFFAOYSA-N 0 0 336.351 3.286 40 5 EGBBRN C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000096486756 278435899 /nfs/dbraw/zinc/43/58/99/278435899.db2.gz HIZDQNKIPFFYBS-SECBINFHSA-N 0 0 345.742 3.236 40 5 EGBBRN O=[N+]([O-])c1cnn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 ZINC000000426665 452589386 /nfs/dbraw/zinc/58/93/86/452589386.db2.gz HSFSDYJZVNJRCR-UHFFFAOYSA-N 0 0 341.274 3.318 40 5 EGBBRN Cc1cccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000001993432 452682433 /nfs/dbraw/zinc/68/24/33/452682433.db2.gz MPMYKWBEHXKBBV-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN CCCCn1c(=O)nc2n(-c3ccccc3)c3ccccc3cc-2c1=O ZINC000005200678 452845610 /nfs/dbraw/zinc/84/56/10/452845610.db2.gz KQDKCMGRJYFVSD-UHFFFAOYSA-N 0 0 345.402 3.452 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000012774316 453402863 /nfs/dbraw/zinc/40/28/63/453402863.db2.gz ZRWUTCLOYKIRSI-UHFFFAOYSA-N 0 0 332.381 3.045 40 5 EGBBRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000014219419 453520764 /nfs/dbraw/zinc/52/07/64/453520764.db2.gz SWOFZVWWVPZGGS-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN O=C1NC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1Cl ZINC000016448993 453607920 /nfs/dbraw/zinc/60/79/20/453607920.db2.gz ROWSOMPCNLDTLC-ZROIWOOFSA-N 0 0 327.727 3.166 40 5 EGBBRN O=C(Cn1cnc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016545628 453610457 /nfs/dbraw/zinc/61/04/57/453610457.db2.gz KYOHIJZAPAVQCF-UHFFFAOYSA-N 0 0 330.731 3.237 40 5 EGBBRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H](C)C2)cc1OC ZINC000033183941 453909738 /nfs/dbraw/zinc/90/97/38/453909738.db2.gz LNFSQKVCCJKVNW-RYUDHWBXSA-N 0 0 336.388 3.311 40 5 EGBBRN CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000042006560 453988327 /nfs/dbraw/zinc/98/83/27/453988327.db2.gz UWOMJKCQFVPTPP-UHFFFAOYSA-N 0 0 342.323 3.088 40 5 EGBBRN CC(C)(C)OC(=O)N1CC[C@@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000085333725 454023104 /nfs/dbraw/zinc/02/31/04/454023104.db2.gz LCJCMDUCTDSZFL-LLVKDONJSA-N 0 0 339.417 3.339 40 5 EGBBRN O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000096423312 454338004 /nfs/dbraw/zinc/33/80/04/454338004.db2.gz MUTRBBFDCCHJKD-DLBZAZTESA-N 0 0 326.352 3.007 40 5 EGBBRN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000096487259 454367472 /nfs/dbraw/zinc/36/74/72/454367472.db2.gz VHHVKRGKMLFJDP-VIFPVBQESA-N 0 0 336.344 3.187 40 5 EGBBRN C[C@H](CCc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000048308966 454471992 /nfs/dbraw/zinc/47/19/92/454471992.db2.gz LCKOOASACWNZAP-CQSZACIVSA-N 0 0 327.384 3.144 40 5 EGBBRN Cc1noc(/C=C/c2ccc(I)o2)c1[N+](=O)[O-] ZINC000408544527 457580707 /nfs/dbraw/zinc/58/07/07/457580707.db2.gz UOIDAZBQCHKSFI-DUXPYHPUSA-N 0 0 346.080 3.259 40 5 EGBBRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409174369 457594501 /nfs/dbraw/zinc/59/45/01/457594501.db2.gz TYSADRJSDAWPRM-UHFFFAOYSA-N 0 0 345.380 3.284 40 5 EGBBRN COc1ccccc1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000217941409 537031062 /nfs/dbraw/zinc/03/10/62/537031062.db2.gz JQCKLHJFUQHDCN-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN COc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000218130756 537031348 /nfs/dbraw/zinc/03/13/48/537031348.db2.gz SJQWHLPCHDRFEY-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1Cl ZINC000055547394 214328835 /nfs/dbraw/zinc/32/88/35/214328835.db2.gz BPXONJWSYKKUBR-UHFFFAOYSA-N 0 0 342.760 3.058 40 5 EGBBRN Cc1cccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000055675891 214338125 /nfs/dbraw/zinc/33/81/25/214338125.db2.gz RFDHLEJFPXEBCO-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN CCc1cccc(C)c1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066013037 215002891 /nfs/dbraw/zinc/00/28/91/215002891.db2.gz JFGDAJMSUGHAJL-UHFFFAOYSA-N 0 0 344.367 3.492 40 5 EGBBRN CC(=O)c1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000003430491 210037345 /nfs/dbraw/zinc/03/73/45/210037345.db2.gz KNAQRAQVYOHBGF-UHFFFAOYSA-N 0 0 328.324 3.123 40 5 EGBBRN COC(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)cc([N+](=O)[O-])c1 ZINC000000515919 209643282 /nfs/dbraw/zinc/64/32/82/209643282.db2.gz ASNFXERKHGRSTF-UHFFFAOYSA-N 0 0 328.324 3.251 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000037170482 213134695 /nfs/dbraw/zinc/13/46/95/213134695.db2.gz RXQGGKSXRCOZHW-CQSZACIVSA-N 0 0 340.379 3.453 40 5 EGBBRN CCN(CC(=O)N(C)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000036395387 213097431 /nfs/dbraw/zinc/09/74/31/213097431.db2.gz NVBVTBQGBFPBGN-UHFFFAOYSA-N 0 0 327.384 3.080 40 5 EGBBRN CCOc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000217865114 241278967 /nfs/dbraw/zinc/27/89/67/241278967.db2.gz AJWDNRIZZFWKNP-UHFFFAOYSA-N 0 0 328.368 3.356 40 5 EGBBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000217942006 241286217 /nfs/dbraw/zinc/28/62/17/241286217.db2.gz YPKJKJQDUPMUAD-AWEZNQCLSA-N 0 0 328.368 3.409 40 5 EGBBRN COc1ccc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000218111513 241297590 /nfs/dbraw/zinc/29/75/90/241297590.db2.gz GXSBDJLLMCVYMA-UHFFFAOYSA-N 0 0 332.381 3.475 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000223375524 241640188 /nfs/dbraw/zinc/64/01/88/241640188.db2.gz GEZZICLPCSVWLA-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1ccnc1 ZINC000020108566 212102247 /nfs/dbraw/zinc/10/22/47/212102247.db2.gz RFSUGULSDSBZSU-JXMROGBWSA-N 0 0 348.362 3.110 40 5 EGBBRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020041323 212097378 /nfs/dbraw/zinc/09/73/78/212097378.db2.gz DCISKZIGOGGRAT-CYBMUJFWSA-N 0 0 334.397 3.084 40 5 EGBBRN CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020001488 212093621 /nfs/dbraw/zinc/09/36/21/212093621.db2.gz LVTUSYLWXMLQNE-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN O=[N+]([O-])c1ccc(N[C@H](Cn2cncn2)c2ccccc2)c(F)c1 ZINC000078334116 217041758 /nfs/dbraw/zinc/04/17/58/217041758.db2.gz YUCMEYALCIPQIL-MRXNPFEDSA-N 0 0 327.319 3.179 40 5 EGBBRN C[S@@](=O)Cc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000079360857 217214690 /nfs/dbraw/zinc/21/46/90/217214690.db2.gz FCSSZGPQNKVILB-KDLSMAQYSA-N 0 0 344.392 3.125 40 5 EGBBRN O=C(C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000085482011 217675283 /nfs/dbraw/zinc/67/52/83/217675283.db2.gz NIOIYRRZIQMNED-MRXNPFEDSA-N 0 0 338.363 3.472 40 5 EGBBRN CCOC[C@H]1CCN(Cc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000093839493 218252191 /nfs/dbraw/zinc/25/21/91/218252191.db2.gz CBPHCHSUCYVSIZ-NSHDSACASA-N 0 0 343.221 3.216 40 5 EGBBRN COc1ccc(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2OC)cc1OC ZINC000005181021 210408276 /nfs/dbraw/zinc/40/82/76/210408276.db2.gz ILJJTGNDXXOAFJ-UHFFFAOYSA-N 0 0 346.339 3.181 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCCCC1 ZINC000005120621 210392507 /nfs/dbraw/zinc/39/25/07/210392507.db2.gz YWGWUMMZRUAHFZ-UHFFFAOYSA-N 0 0 326.418 3.294 40 5 EGBBRN COc1cc2c(cc1OC)C(Cc1ccc([N+](=O)[O-])cc1)=NCC2 ZINC000004995188 210353878 /nfs/dbraw/zinc/35/38/78/210353878.db2.gz YGNQHHPZQXFBEB-UHFFFAOYSA-N 0 0 326.352 3.200 40 5 EGBBRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000113942498 220613969 /nfs/dbraw/zinc/61/39/69/220613969.db2.gz SYDGWTBERVWXLN-HNNXBMFYSA-N 0 0 334.397 3.333 40 5 EGBBRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006323166 257866700 /nfs/dbraw/zinc/86/67/00/257866700.db2.gz DJXOANXNNYXOGF-UHFFFAOYSA-N 0 0 341.367 3.377 40 5 EGBBRN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224998605 257915638 /nfs/dbraw/zinc/91/56/38/257915638.db2.gz SUXWLJHKYYENCR-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN COC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000009324465 274003630 /nfs/dbraw/zinc/00/36/30/274003630.db2.gz PYUJOKXXPIHNRP-UHFFFAOYSA-N 0 0 340.291 3.380 40 5 EGBBRN Cc1ccc(C2=NN[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1 ZINC000000048429 280801560 /nfs/dbraw/zinc/80/15/60/280801560.db2.gz IZQJDPVFEQJKHZ-INIZCTEOSA-N 0 0 343.364 3.329 40 5 EGBBRN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000044839279 289756530 /nfs/dbraw/zinc/75/65/30/289756530.db2.gz XIKXSRFITLLNIW-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN COc1cc2c(cc1OC)C(c1cc(C)ccc1[N+](=O)[O-])=NCC2 ZINC000005542420 295038094 /nfs/dbraw/zinc/03/80/94/295038094.db2.gz UYDHZBLYNXSTCR-UHFFFAOYSA-N 0 0 326.352 3.314 40 5 EGBBRN CC(=O)Oc1ccc2c(c1)occ(Oc1ccc([N+](=O)[O-])cc1)c2=O ZINC000000517679 452612268 /nfs/dbraw/zinc/61/22/68/452612268.db2.gz BOUPYHPGHHGJFP-UHFFFAOYSA-N 0 0 341.275 3.419 40 5 biogenic EGBBRN Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000003217253 452749079 /nfs/dbraw/zinc/74/90/79/452749079.db2.gz AGTNWAKREJAUIG-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000003443165 452767511 /nfs/dbraw/zinc/76/75/11/452767511.db2.gz WESQCEMLGRSVBW-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005514084 452880496 /nfs/dbraw/zinc/88/04/96/452880496.db2.gz LWCVHSOSJBKKQZ-RUDMXATFSA-N 0 0 343.295 3.164 40 5 EGBBRN Cc1ccc(OCC(=O)Nc2ccc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000005970440 452914150 /nfs/dbraw/zinc/91/41/50/452914150.db2.gz KRECCDGBGNVMIE-UHFFFAOYSA-N 0 0 339.710 3.108 40 5 EGBBRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006265974 452929149 /nfs/dbraw/zinc/92/91/49/452929149.db2.gz OZPJRHMXALRVSG-UHFFFAOYSA-N 0 0 337.335 3.309 40 5 EGBBRN CCC(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000006309279 452933867 /nfs/dbraw/zinc/93/38/67/452933867.db2.gz BDCJRKKRHKIVEJ-UHFFFAOYSA-N 0 0 328.324 3.300 40 5 EGBBRN CCCCC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000006593783 452959041 /nfs/dbraw/zinc/95/90/41/452959041.db2.gz PPVJQZDINCVJPM-UHFFFAOYSA-N 0 0 325.796 3.087 40 5 EGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000007093590 453032100 /nfs/dbraw/zinc/03/21/00/453032100.db2.gz WHLWNYOBZYCGAH-UHFFFAOYSA-N 0 0 347.352 3.375 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCCC2)c1 ZINC000007382575 453068558 /nfs/dbraw/zinc/06/85/58/453068558.db2.gz RPWDDEKVAUZBAG-UHFFFAOYSA-N 0 0 325.368 3.376 40 5 EGBBRN Cc1c(NC(=O)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000008267970 453183554 /nfs/dbraw/zinc/18/35/54/453183554.db2.gz ZPGRLRXOAZOYSN-UHFFFAOYSA-N 0 0 339.351 3.282 40 5 EGBBRN CCOC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000010446372 453290638 /nfs/dbraw/zinc/29/06/38/453290638.db2.gz YXXFMNAGQIHMMS-UHFFFAOYSA-N 0 0 342.351 3.261 40 5 EGBBRN O=C(Cn1nc(-c2ccncc2)oc1=S)c1ccc([N+](=O)[O-])cc1 ZINC000016769593 453621379 /nfs/dbraw/zinc/62/13/79/453621379.db2.gz KNAPTJDZWGNINF-UHFFFAOYSA-N 0 0 342.336 3.059 40 5 EGBBRN O=[N+]([O-])c1ccc(NCc2cccnc2-n2cccn2)c(Cl)c1 ZINC000024660699 453741460 /nfs/dbraw/zinc/74/14/60/453741460.db2.gz ALRFMPPWTBUNHY-UHFFFAOYSA-N 0 0 329.747 3.441 40 5 EGBBRN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000025254659 453762863 /nfs/dbraw/zinc/76/28/63/453762863.db2.gz KDUGGDOYPDYRHN-UHFFFAOYSA-N 0 0 338.367 3.062 40 5 EGBBRN CC(=O)c1ccc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000028936629 453825681 /nfs/dbraw/zinc/82/56/81/453825681.db2.gz MIDBJZUUDSZCTC-BETUJISGSA-N 0 0 349.431 3.097 40 5 EGBBRN C[C@@H](CNC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000031489651 453848046 /nfs/dbraw/zinc/84/80/46/453848046.db2.gz KWOBGFKBPQHYPW-AWEZNQCLSA-N 0 0 328.368 3.284 40 5 EGBBRN O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2cncc(Br)c2)n1 ZINC000034925932 453921977 /nfs/dbraw/zinc/92/19/77/453921977.db2.gz SEMSMVUEADEUEW-UHFFFAOYSA-N 0 0 346.144 3.204 40 5 EGBBRN Cn1ccnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000054748086 453945108 /nfs/dbraw/zinc/94/51/08/453945108.db2.gz SQMXCBKQOUBAJY-UHFFFAOYSA-N 0 0 344.352 3.325 40 5 EGBBRN COc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000040946183 453955032 /nfs/dbraw/zinc/95/50/32/453955032.db2.gz UKQRDIKVSDVHCV-LBPRGKRZSA-N 0 0 330.340 3.318 40 5 EGBBRN Cc1ccc(Cl)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000044899981 454125994 /nfs/dbraw/zinc/12/59/94/454125994.db2.gz IIXDILLHFPKLGR-UHFFFAOYSA-N 0 0 340.788 3.499 40 5 EGBBRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000096409550 454327575 /nfs/dbraw/zinc/32/75/75/454327575.db2.gz GKBQSGQRLIGWTH-CYBMUJFWSA-N 0 0 339.298 3.045 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000096426055 454339481 /nfs/dbraw/zinc/33/94/81/454339481.db2.gz ZMPVHEFLWBTEHU-MRXNPFEDSA-N 0 0 340.379 3.274 40 5 EGBBRN Cn1nccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097095545 454404841 /nfs/dbraw/zinc/40/48/41/454404841.db2.gz KDLAOOHSTUNROK-UHFFFAOYSA-N 0 0 348.790 3.002 40 5 EGBBRN O=[N+]([O-])c1cc(Cl)c(NC[C@]2(CCO)CCOC2)c(Cl)c1 ZINC000097096845 454405433 /nfs/dbraw/zinc/40/54/33/454405433.db2.gz HWJRSCPVGJNBGC-ZDUSSCGKSA-N 0 0 335.187 3.103 40 5 EGBBRN CCN(Cc1ccoc1)C(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000097373376 454434806 /nfs/dbraw/zinc/43/48/06/454434806.db2.gz DBFDPZBTNOLSNK-UHFFFAOYSA-N 0 0 340.339 3.240 40 5 EGBBRN Cc1nn(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000105208989 454629967 /nfs/dbraw/zinc/62/99/67/454629967.db2.gz WWSZHTKOUXPLPJ-BYCMXARLSA-N 0 0 337.420 3.412 40 5 EGBBRN CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000052410872 454671693 /nfs/dbraw/zinc/67/16/93/454671693.db2.gz BEWSLZXPBFSMSV-UHFFFAOYSA-N 0 0 336.369 3.183 40 5 EGBBRN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000224714865 456068788 /nfs/dbraw/zinc/06/87/88/456068788.db2.gz KLRDKMBWEOIVJU-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN COCCc1nsc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000225544170 456092338 /nfs/dbraw/zinc/09/23/38/456092338.db2.gz RFOGNZDQPZACKW-UHFFFAOYSA-N 0 0 329.765 3.389 40 5 EGBBRN CC(C)(C)Cc1nc2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc2o1 ZINC000390835582 457447191 /nfs/dbraw/zinc/44/71/91/457447191.db2.gz RJJFARPLZNJNTQ-UHFFFAOYSA-N 0 0 343.343 3.300 40 5 EGBBRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CCc1cnccn1 ZINC000585141254 459830014 /nfs/dbraw/zinc/83/00/14/459830014.db2.gz RVIHWNIWUUXCBB-UHFFFAOYSA-N 0 0 349.778 3.053 40 5 EGBBRN O=C(NCCSC(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047387662 213846665 /nfs/dbraw/zinc/84/66/65/213846665.db2.gz NAEBFCLGNPXSMQ-UHFFFAOYSA-N 0 0 328.699 3.231 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000040070900 213257809 /nfs/dbraw/zinc/25/78/09/213257809.db2.gz RQDCRYQAFMPXHV-GFCCVEGCSA-N 0 0 344.367 3.445 40 5 EGBBRN COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)o2)cc1 ZINC000022474456 212300690 /nfs/dbraw/zinc/30/06/90/212300690.db2.gz HYKDXIGOXYZCNX-UHFFFAOYSA-N 0 0 330.325 3.200 40 5 EGBBRN Cc1cc(Cl)ccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020109028 212102349 /nfs/dbraw/zinc/10/23/49/212102349.db2.gz TVXCUKXJTAIAKF-UHFFFAOYSA-N 0 0 340.788 3.499 40 5 EGBBRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020107278 212101525 /nfs/dbraw/zinc/10/15/25/212101525.db2.gz ULMHDAYEGOOXJM-INIZCTEOSA-N 0 0 330.340 3.400 40 5 EGBBRN CC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000078518473 217067606 /nfs/dbraw/zinc/06/76/06/217067606.db2.gz NZPSZWAOSPTUDR-CQSZACIVSA-N 0 0 348.428 3.353 40 5 EGBBRN Cc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000011752682 211243830 /nfs/dbraw/zinc/24/38/30/211243830.db2.gz FPAOGKUBESVHAZ-UHFFFAOYSA-N 0 0 338.367 3.142 40 5 EGBBRN O=[N+]([O-])c1cccc([C@@H](O)CSc2n[nH]c(-c3cccs3)n2)c1 ZINC000095432525 218374279 /nfs/dbraw/zinc/37/42/79/218374279.db2.gz CDKXNRXNOBIEML-NSHDSACASA-N 0 0 348.409 3.267 40 5 EGBBRN CS[C@H]1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000096462876 218845458 /nfs/dbraw/zinc/84/54/58/218845458.db2.gz QKDPYVAGPGBJNT-CABCVRRESA-N 0 0 337.445 3.063 40 5 EGBBRN Cc1ccc(C[C@@H](Nc2c([N+](=O)[O-])ncn2C)c2ccccn2)cc1 ZINC000096406548 301592348 /nfs/dbraw/zinc/59/23/48/301592348.db2.gz JERTYQTWMAFZEU-MRXNPFEDSA-N 0 0 337.383 3.428 40 5 EGBBRN Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224750742 301599472 /nfs/dbraw/zinc/59/94/72/301599472.db2.gz YNXLXPUTHLQZNQ-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CCOc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000000070756 452497593 /nfs/dbraw/zinc/49/75/93/452497593.db2.gz ZRUQVWJKBRQIQF-RVDMUPIBSA-N 0 0 338.319 3.338 40 5 EGBBRN Cc1oc2ccccc2c(=O)c1Cn1cnc2ccc([N+](=O)[O-])cc21 ZINC000001614276 452670423 /nfs/dbraw/zinc/67/04/23/452670423.db2.gz RYNZZJAZWTXHSB-UHFFFAOYSA-N 0 0 335.319 3.408 40 5 EGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001934414 452681802 /nfs/dbraw/zinc/68/18/02/452681802.db2.gz OXXDTBSXOXTHOL-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000001993339 452683631 /nfs/dbraw/zinc/68/36/31/452683631.db2.gz OMYKCOZPKDOLRJ-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN O=c1oc2ccccc2cc1C1=NN[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000005904435 452909374 /nfs/dbraw/zinc/90/93/74/452909374.db2.gz ATAQMHYWDIQPAL-OAHLLOKOSA-N 0 0 335.319 3.140 40 5 EGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2C)cc1[N+](=O)[O-] ZINC000008560916 453215891 /nfs/dbraw/zinc/21/58/91/453215891.db2.gz VBPHMVCRJLVJSV-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)c1c[nH]c2ccccc21 ZINC000012906025 453422990 /nfs/dbraw/zinc/42/29/90/453422990.db2.gz POGXTOBDTZVUSR-UHFFFAOYSA-N 0 0 338.319 3.045 40 5 EGBBRN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc1 ZINC000014899232 453547287 /nfs/dbraw/zinc/54/72/87/453547287.db2.gz SRIPZRWGMNZRCB-UHFFFAOYSA-N 0 0 343.386 3.497 40 5 EGBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]1c1cccs1 ZINC000015836254 453586837 /nfs/dbraw/zinc/58/68/37/453586837.db2.gz CUSSTBBHSAMFDH-NSHDSACASA-N 0 0 338.410 3.182 40 5 EGBBRN COc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000031206262 453841656 /nfs/dbraw/zinc/84/16/56/453841656.db2.gz ZQXKMMQPFXXQGJ-UHFFFAOYSA-N 0 0 338.323 3.041 40 5 EGBBRN O=C(NCc1ccc(-c2cc[nH]n2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032937713 453898430 /nfs/dbraw/zinc/89/84/30/453898430.db2.gz PWGARWUCVFHESY-UHFFFAOYSA-N 0 0 337.339 3.307 40 5 EGBBRN COc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000058159247 454166154 /nfs/dbraw/zinc/16/61/54/454166154.db2.gz RBUQAKAEFXWNPW-UHFFFAOYSA-N 0 0 338.161 3.373 40 5 EGBBRN CSc1nc2ccccc2n1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000059459354 454259737 /nfs/dbraw/zinc/25/97/37/454259737.db2.gz NYPMYLKTIXEHDX-UHFFFAOYSA-N 0 0 342.380 3.305 40 5 EGBBRN O=c1oc2ccccc2c(NCCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000059484690 454260523 /nfs/dbraw/zinc/26/05/23/454260523.db2.gz FKEYCQJYRJWNPW-UHFFFAOYSA-N 0 0 328.299 3.495 40 5 EGBBRN CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000096415255 454331091 /nfs/dbraw/zinc/33/10/91/454331091.db2.gz FSMIUULNNOXLCO-INIZCTEOSA-N 0 0 328.372 3.283 40 5 EGBBRN Cc1ccc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(CO)n1 ZINC000096485492 454367695 /nfs/dbraw/zinc/36/76/95/454367695.db2.gz AKWKQTMRDQOLRO-UHFFFAOYSA-N 0 0 341.323 3.025 40 5 EGBBRN CC(=O)c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1C ZINC000096495219 454370557 /nfs/dbraw/zinc/37/05/57/454370557.db2.gz PKRSJHHBAABDSC-UHFFFAOYSA-N 0 0 347.758 3.084 40 5 EGBBRN COc1ccc(NCCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000062719281 454386358 /nfs/dbraw/zinc/38/63/58/454386358.db2.gz HYFSQDNGNNHOTH-UHFFFAOYSA-N 0 0 339.355 3.043 40 5 EGBBRN O=C1C(=Cc2csc([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1 ZINC000104236522 454579026 /nfs/dbraw/zinc/57/90/26/454579026.db2.gz HIJKDOQCRLDFFI-IZZDOVSWSA-N 0 0 337.426 3.047 40 5 EGBBRN Cc1nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2c1CCC2 ZINC000107704176 454769090 /nfs/dbraw/zinc/76/90/90/454769090.db2.gz ZUCXFAWJLQABDV-UHFFFAOYSA-N 0 0 332.341 3.241 40 5 EGBBRN COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000148759575 454872655 /nfs/dbraw/zinc/87/26/55/454872655.db2.gz VSRCVRKSVZYQNF-HJWRWDBZSA-N 0 0 344.279 3.070 40 5 EGBBRN O=C(CCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000113368833 454925037 /nfs/dbraw/zinc/92/50/37/454925037.db2.gz ZTOYTFFEUUYRNR-UHFFFAOYSA-N 0 0 328.280 3.349 40 5 EGBBRN COc1cccc(C(=O)Nc2ccc3scnc3c2)c1[N+](=O)[O-] ZINC000194191527 455813777 /nfs/dbraw/zinc/81/37/77/455813777.db2.gz KICJBUKACDCFDD-UHFFFAOYSA-N 0 0 329.337 3.465 40 5 EGBBRN O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215249043 456025474 /nfs/dbraw/zinc/02/54/74/456025474.db2.gz NCDBWQUKFLIFCT-RIYZIHGNSA-N 0 0 341.348 3.226 40 5 EGBBRN Cc1cccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C ZINC000223897485 456061634 /nfs/dbraw/zinc/06/16/34/456061634.db2.gz CFABBQDIWBCDGX-MDZDMXLPSA-N 0 0 340.379 3.420 40 5 EGBBRN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997315 456070931 /nfs/dbraw/zinc/07/09/31/456070931.db2.gz DJFJDBADOZVJIA-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN O=[N+]([O-])c1ccc2nc(Cc3nc4ccc([N+](=O)[O-])cc4o3)oc2c1 ZINC000226249576 456107779 /nfs/dbraw/zinc/10/77/79/456107779.db2.gz ZPZBVQYIUKWKBT-UHFFFAOYSA-N 0 0 340.251 3.376 40 5 EGBBRN CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003547636 210051858 /nfs/dbraw/zinc/05/18/58/210051858.db2.gz ILANRXXBYJWCQF-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN Cc1cccc(C)c1OCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038773099 213225954 /nfs/dbraw/zinc/22/59/54/213225954.db2.gz WYSIUUBVZJMLGA-UHFFFAOYSA-N 0 0 343.335 3.017 40 5 EGBBRN CCC(C)(C)C1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000026531295 212524483 /nfs/dbraw/zinc/52/44/83/212524483.db2.gz MEGJKEIZNDVMCI-UHFFFAOYSA-N 0 0 336.436 3.293 40 5 EGBBRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000018108969 211982315 /nfs/dbraw/zinc/98/23/15/211982315.db2.gz QEARJQKYVGHLHI-GFCCVEGCSA-N 0 0 342.351 3.165 40 5 EGBBRN O=C(CCSc1ncccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000079098068 217193366 /nfs/dbraw/zinc/19/33/66/217193366.db2.gz IWXDHNYBTKDAQZ-UHFFFAOYSA-N 0 0 349.437 3.118 40 5 EGBBRN O=C(OCc1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079381193 217217163 /nfs/dbraw/zinc/21/71/63/217217163.db2.gz LYOFFKPXYNUATR-UHFFFAOYSA-N 0 0 337.129 3.109 40 5 EGBBRN Cc1ocnc1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000095463470 218402630 /nfs/dbraw/zinc/40/26/30/218402630.db2.gz FSVGUVMZSYCOCN-MRXNPFEDSA-N 0 0 339.307 3.233 40 5 EGBBRN C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000096487260 218864273 /nfs/dbraw/zinc/86/42/73/218864273.db2.gz VHHVKRGKMLFJDP-SECBINFHSA-N 0 0 336.344 3.187 40 5 EGBBRN CCCCOC(=O)c1cc([N+](=O)[O-])c(N(CC)CC)c([N+](=O)[O-])c1 ZINC000004798048 210279850 /nfs/dbraw/zinc/27/98/50/210279850.db2.gz IQJZIIJTZGXYTI-UHFFFAOYSA-N 0 0 339.348 3.306 40 5 EGBBRN CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409189284 257875396 /nfs/dbraw/zinc/87/53/96/257875396.db2.gz ORIRCXKUPQMPIW-YRNVUSSQSA-N 0 0 347.714 3.031 40 5 EGBBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000409009751 257882880 /nfs/dbraw/zinc/88/28/80/257882880.db2.gz BTJNPMPYVWOANW-ITTMYVLYSA-N 0 0 336.369 3.438 40 5 EGBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000000570424 452626280 /nfs/dbraw/zinc/62/62/80/452626280.db2.gz XQKTWNGSCLNVJM-UHFFFAOYSA-N 0 0 347.371 3.478 40 5 EGBBRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000000999375 452641308 /nfs/dbraw/zinc/64/13/08/452641308.db2.gz VGIXHTSJRMUIJE-UHFFFAOYSA-N 0 0 328.250 3.082 40 5 EGBBRN COc1ccc(C)cc1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000001628062 452672828 /nfs/dbraw/zinc/67/28/28/452672828.db2.gz LSRRFVJCZDGJSL-UHFFFAOYSA-N 0 0 341.772 3.398 40 5 EGBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000001934082 452680362 /nfs/dbraw/zinc/68/03/62/452680362.db2.gz BEDXLUGGYOVZSO-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 ZINC000005776577 452901661 /nfs/dbraw/zinc/90/16/61/452901661.db2.gz HZSFVHFKLLROGP-AWEZNQCLSA-N 0 0 334.715 3.027 40 5 EGBBRN Cc1ccccc1NC(=O)CCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000006207976 452924765 /nfs/dbraw/zinc/92/47/65/452924765.db2.gz ZXMAPHKKNQWYDV-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCc1ccccc1 ZINC000006314862 452933490 /nfs/dbraw/zinc/93/34/90/452933490.db2.gz RWODUSCDHDEDOR-AWEZNQCLSA-N 0 0 348.424 3.203 40 5 EGBBRN COc1ccc(OC[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000010542521 453295028 /nfs/dbraw/zinc/29/50/28/453295028.db2.gz MGAQJMAMTKALQD-LBPRGKRZSA-N 0 0 344.367 3.109 40 5 EGBBRN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000014219710 453521716 /nfs/dbraw/zinc/52/17/16/453521716.db2.gz VREMFOJDOHWWKB-INIZCTEOSA-N 0 0 334.397 3.333 40 5 EGBBRN Cc1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000015139437 453559438 /nfs/dbraw/zinc/55/94/38/453559438.db2.gz BDEGZPCJJVFMDI-UXBLZVDNSA-N 0 0 340.379 3.420 40 5 EGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000020528792 453665811 /nfs/dbraw/zinc/66/58/11/453665811.db2.gz PUJSZYFIZTUNDK-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN Cc1c(NC(=S)NC(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000021596237 453679177 /nfs/dbraw/zinc/67/91/77/453679177.db2.gz NWZYQXSBZYKDIN-UHFFFAOYSA-N 0 0 333.344 3.169 40 5 EGBBRN O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000024691069 453742766 /nfs/dbraw/zinc/74/27/66/453742766.db2.gz NCPQSHVHRAMSKJ-AWEZNQCLSA-N 0 0 340.383 3.243 40 5 EGBBRN O=C(OCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000025265514 453764099 /nfs/dbraw/zinc/76/40/99/453764099.db2.gz DMHWPFRAWDPCRO-UHFFFAOYSA-N 0 0 332.243 3.339 40 5 EGBBRN C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053126806 453860075 /nfs/dbraw/zinc/86/00/75/453860075.db2.gz VFFDAAXCACTSQB-JTQLQIEISA-N 0 0 349.337 3.165 40 5 EGBBRN COc1ccc(CSCC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032816243 453891878 /nfs/dbraw/zinc/89/18/78/453891878.db2.gz RODCCUWVHMYCDS-UHFFFAOYSA-N 0 0 346.408 3.500 40 5 EGBBRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000033183939 453909528 /nfs/dbraw/zinc/90/95/28/453909528.db2.gz LNFSQKVCCJKVNW-NEPJUHHUSA-N 0 0 336.388 3.311 40 5 EGBBRN CCc1ncc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083171250 453941584 /nfs/dbraw/zinc/94/15/84/453941584.db2.gz DJYRYCMRAIUSJK-UHFFFAOYSA-N 0 0 332.385 3.387 40 5 EGBBRN CN(c1ccccc1F)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058162929 454166842 /nfs/dbraw/zinc/16/68/42/454166842.db2.gz DKJGGHDWJFXBEG-UHFFFAOYSA-N 0 0 344.751 3.212 40 5 EGBBRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000096402861 454322493 /nfs/dbraw/zinc/32/24/93/454322493.db2.gz PWRJXTWCILNJEJ-NSHDSACASA-N 0 0 346.412 3.060 40 5 EGBBRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000096433632 454344487 /nfs/dbraw/zinc/34/44/87/454344487.db2.gz XVEWNJVRHWMXCP-LLVKDONJSA-N 0 0 345.403 3.006 40 5 EGBBRN Cc1cc([C@](C)(O)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000096433734 454344627 /nfs/dbraw/zinc/34/46/27/454344627.db2.gz UKWPSRVRPPHVCM-QGZVFWFLSA-N 0 0 347.371 3.142 40 5 EGBBRN O=C(Cc1ccc(Cl)cc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642301 454463777 /nfs/dbraw/zinc/46/37/77/454463777.db2.gz JAXVMJNJVCRWTJ-UHFFFAOYSA-N 0 0 343.770 3.256 40 5 EGBBRN C[C@@H](CCc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000048308963 454471947 /nfs/dbraw/zinc/47/19/47/454471947.db2.gz LCKOOASACWNZAP-AWEZNQCLSA-N 0 0 327.384 3.144 40 5 EGBBRN Cc1nccn1CCCOc1c(Br)cccc1[N+](=O)[O-] ZINC000195548395 455981962 /nfs/dbraw/zinc/98/19/62/455981962.db2.gz RRJGEVCKVLNSNI-UHFFFAOYSA-N 0 0 340.177 3.331 40 5 EGBBRN Cc1cccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000223739121 456060324 /nfs/dbraw/zinc/06/03/24/456060324.db2.gz SCOKIIUFEFMWPZ-UHFFFAOYSA-N 0 0 334.397 3.032 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)c2nccs2)c1 ZINC000280869344 456069617 /nfs/dbraw/zinc/06/96/17/456069617.db2.gz AKCBWSYGIVUNSA-UHFFFAOYSA-N 0 0 349.412 3.180 40 5 EGBBRN CCN(c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007378 456071877 /nfs/dbraw/zinc/07/18/77/456071877.db2.gz NJKPLMNMCMAXTF-UHFFFAOYSA-N 0 0 342.323 3.088 40 5 EGBBRN O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCOCC1 ZINC000408974530 457589949 /nfs/dbraw/zinc/58/99/49/457589949.db2.gz BBRGVRZJDYAJGX-UHFFFAOYSA-N 0 0 349.415 3.470 40 5 EGBBRN O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCOCC1 ZINC000408996588 457590947 /nfs/dbraw/zinc/59/09/47/457590947.db2.gz QEZRPIPIKQNXSO-UHFFFAOYSA-N 0 0 347.378 3.128 40 5 EGBBRN COCCNC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408976538 457591570 /nfs/dbraw/zinc/59/15/70/457591570.db2.gz RZPASVOQPMOUOO-UHFFFAOYSA-N 0 0 337.404 3.374 40 5 EGBBRN CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055679535 214337264 /nfs/dbraw/zinc/33/72/64/214337264.db2.gz LTPLTWUPUZSRPN-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000004426434 210191182 /nfs/dbraw/zinc/19/11/82/210191182.db2.gz IQMILMPHXPAQFX-UHFFFAOYSA-N 0 0 344.348 3.219 40 5 EGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(F)(F)F ZINC000004256821 210153889 /nfs/dbraw/zinc/15/38/89/210153889.db2.gz WNQZSRLLAVNFKQ-UHFFFAOYSA-N 0 0 338.241 3.327 40 5 EGBBRN CCOC(=O)COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001736507 209788363 /nfs/dbraw/zinc/78/83/63/209788363.db2.gz OETKOPJNRVQAKN-UHFFFAOYSA-N 0 0 340.332 3.051 40 5 EGBBRN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036620801 213105175 /nfs/dbraw/zinc/10/51/75/213105175.db2.gz GKQCARSQSSLMNX-QGZVFWFLSA-N 0 0 346.408 3.429 40 5 EGBBRN O=c1ccc([N+](=O)[O-])cn1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000024716419 212434160 /nfs/dbraw/zinc/43/41/60/212434160.db2.gz RZJSPQMDLQPEFZ-UHFFFAOYSA-N 0 0 331.715 3.113 40 5 EGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccc2)o1 ZINC000020495940 212140743 /nfs/dbraw/zinc/14/07/43/212140743.db2.gz KHTLANVYRMZUDY-DHZHZOJOSA-N 0 0 336.307 3.297 40 5 EGBBRN COc1cccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000020456807 212132372 /nfs/dbraw/zinc/13/23/72/212132372.db2.gz VKMJZCWQXZQOHE-GFCCVEGCSA-N 0 0 330.340 3.318 40 5 EGBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC000079097210 217191742 /nfs/dbraw/zinc/19/17/42/217191742.db2.gz VOVPCEYMSKVXIV-MRVPVSSYSA-N 0 0 328.250 3.010 40 5 EGBBRN Cc1nn(C)c(Sc2nnc(-c3cc(C)cc(C)c3)o2)c1[N+](=O)[O-] ZINC000079353671 217213525 /nfs/dbraw/zinc/21/35/25/217213525.db2.gz LVZKKUGHMWGZHO-UHFFFAOYSA-N 0 0 345.384 3.455 40 5 EGBBRN Cc1nc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])oc1C ZINC000079696635 217249423 /nfs/dbraw/zinc/24/94/23/217249423.db2.gz HOCCLMZGSKAWRH-UHFFFAOYSA-N 0 0 343.261 3.148 40 5 EGBBRN O=[N+]([O-])c1cn(C[C@H](O)c2ccccc2Cl)nc1-c1ccncc1 ZINC000080624656 217321088 /nfs/dbraw/zinc/32/10/88/217321088.db2.gz WODWGIXHIALKGT-HNNXBMFYSA-N 0 0 344.758 3.240 40 5 EGBBRN O=[N+]([O-])c1c(N2CCC(c3ccc(O)cc3)CC2)nc2ccccn21 ZINC000029530993 285077831 /nfs/dbraw/zinc/07/78/31/285077831.db2.gz CMZMCUMLCYMTEJ-UHFFFAOYSA-N 0 0 338.367 3.332 40 5 EGBBRN COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000009141585 257861904 /nfs/dbraw/zinc/86/19/04/257861904.db2.gz IZESLZMDKLVKFY-VMPITWQZSA-N 0 0 343.295 3.164 40 5 EGBBRN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000055681791 132196460 /nfs/dbraw/zinc/19/64/60/132196460.db2.gz VBRXABXYDNIKKL-VXGBXAGGSA-N 0 0 345.355 3.054 40 5 EGBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC000003666281 274106611 /nfs/dbraw/zinc/10/66/11/274106611.db2.gz CHWOWGLCVJRUNY-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC000004959378 280767502 /nfs/dbraw/zinc/76/75/02/280767502.db2.gz CQONKUDEQNSBFH-UHFFFAOYSA-N 0 0 349.774 3.112 40 5 EGBBRN Cc1nn(-c2ccccc2)cc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149307 323214355 /nfs/dbraw/zinc/21/43/55/323214355.db2.gz JCWRBHLSIFZAIU-UHFFFAOYSA-N 0 0 348.362 3.292 40 5 EGBBRN Cc1c(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O ZINC000003074222 452741978 /nfs/dbraw/zinc/74/19/78/452741978.db2.gz BHOLLSGWTDINOV-UHFFFAOYSA-N 0 0 331.284 3.078 40 5 EGBBRN O=[N+]([O-])c1c(Nc2ccc(O)cc2)ncnc1Nc1ccc(O)cc1 ZINC000005335704 452861413 /nfs/dbraw/zinc/86/14/13/452861413.db2.gz FIWCKAGBTPRWTP-UHFFFAOYSA-N 0 0 339.311 3.283 40 5 EGBBRN CCOc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1C ZINC000005689650 452896319 /nfs/dbraw/zinc/89/63/19/452896319.db2.gz ILODYIHFNGMSKG-UHFFFAOYSA-N 0 0 329.356 3.353 40 5 EGBBRN CCC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006309259 452933328 /nfs/dbraw/zinc/93/33/28/452933328.db2.gz AQRCKSVLNQNZGK-UHFFFAOYSA-N 0 0 328.324 3.300 40 5 EGBBRN O=C(CCC(=O)OCc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000006597552 452958808 /nfs/dbraw/zinc/95/88/08/452958808.db2.gz GCTQESYFGVFKIH-UHFFFAOYSA-N 0 0 328.324 3.057 40 5 EGBBRN COc1ccc(C(=O)OCC(=O)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000007269444 453053426 /nfs/dbraw/zinc/05/34/26/453053426.db2.gz QBTUYHNCXIKPBR-UHFFFAOYSA-N 0 0 335.337 3.013 40 5 EGBBRN COc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000008266274 453184180 /nfs/dbraw/zinc/18/41/80/453184180.db2.gz SSSLVNIDOPKVJB-UHFFFAOYSA-N 0 0 344.367 3.492 40 5 EGBBRN CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000010444230 453291939 /nfs/dbraw/zinc/29/19/39/453291939.db2.gz FAIAMJVHNUSDEQ-UHFFFAOYSA-N 0 0 342.351 3.261 40 5 EGBBRN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000014219118 453521703 /nfs/dbraw/zinc/52/17/03/453521703.db2.gz RXCCABJMKLSWGW-GFCCVEGCSA-N 0 0 334.397 3.197 40 5 EGBBRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000014900694 453546845 /nfs/dbraw/zinc/54/68/45/453546845.db2.gz ZTVNYTJDNSBQPY-AWEZNQCLSA-N 0 0 341.367 3.037 40 5 EGBBRN O=C1NC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1 ZINC000016399820 453605148 /nfs/dbraw/zinc/60/51/48/453605148.db2.gz QFWZDLMADRHMPA-ZSOIEALJSA-N 0 0 327.727 3.166 40 5 EGBBRN O=c1c(C(F)(F)F)cccn1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000059017267 454252301 /nfs/dbraw/zinc/25/23/01/454252301.db2.gz HRNNCQRRFDVMAA-UHFFFAOYSA-N 0 0 342.273 3.244 40 5 EGBBRN O=C(Cc1cccc(Cl)c1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059475109 454260870 /nfs/dbraw/zinc/26/08/70/454260870.db2.gz BMJFAFDCHZRSJJ-UHFFFAOYSA-N 0 0 333.727 3.217 40 5 EGBBRN CC(C)N1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000060362917 454281915 /nfs/dbraw/zinc/28/19/15/454281915.db2.gz RDRGLNLNONLKJE-JTQLQIEISA-N 0 0 331.294 3.035 40 5 EGBBRN Cc1[nH]c(CN(C)c2cc(C)ncn2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000096490094 454368368 /nfs/dbraw/zinc/36/83/68/454368368.db2.gz IHAFBVMVGTVUIV-UHFFFAOYSA-N 0 0 338.371 3.028 40 5 EGBBRN Cc1[nH]c(CN(C)c2nccc(C)n2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000096490092 454368862 /nfs/dbraw/zinc/36/88/62/454368862.db2.gz MBWBIKQLBLMETF-UHFFFAOYSA-N 0 0 338.371 3.028 40 5 EGBBRN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@H]4CC[C@@H]5[C@@H]2[C@@H]3[C@@H]45)c([N+](=O)[O-])c1 ZINC000104284838 454580270 /nfs/dbraw/zinc/58/02/70/454580270.db2.gz HNWWOXVKOZVYOS-SBKHLRLZSA-N 0 0 330.340 3.310 40 5 EGBBRN COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000224861791 456069452 /nfs/dbraw/zinc/06/94/52/456069452.db2.gz ITMWKLYYKSAXTJ-UHFFFAOYSA-N 0 0 344.367 3.492 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000327431301 456706948 /nfs/dbraw/zinc/70/69/48/456706948.db2.gz RKOIEUOFJMYPDU-UHFFFAOYSA-N 0 0 343.358 3.263 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccco2)n1 ZINC000408581619 457582395 /nfs/dbraw/zinc/58/23/95/457582395.db2.gz JRDWMWCQGBMSMS-UHFFFAOYSA-N 0 0 330.325 3.327 40 5 EGBBRN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000226863082 535417813 /nfs/dbraw/zinc/41/78/13/535417813.db2.gz DFCBWGHKWOKSIB-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN COc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000004342086 210176191 /nfs/dbraw/zinc/17/61/91/210176191.db2.gz SFDHSHVXIQNHKY-CSKARUKUSA-N 0 0 328.324 3.264 40 5 EGBBRN CC(=O)C(C(C)=O)[C@@H](c1ccccc1)[C@H](Cc1ccccc1)[N+](=O)[O-] ZINC000101403532 219125685 /nfs/dbraw/zinc/12/56/85/219125685.db2.gz IXJSAWCSDWQGLA-ICSRJNTNSA-N 0 0 339.391 3.452 40 5 EGBBRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002760163 282804045 /nfs/dbraw/zinc/80/40/45/282804045.db2.gz OKCBCWVORXAZES-UHFFFAOYSA-N 0 0 348.668 3.253 40 5 EGBBRN COc1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000040174567 213279453 /nfs/dbraw/zinc/27/94/53/213279453.db2.gz FMKNHQHVWPJQKU-UHFFFAOYSA-N 0 0 325.328 3.001 40 5 EGBBRN COc1ccc(CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000040095673 213263443 /nfs/dbraw/zinc/26/34/43/213263443.db2.gz HSEOBEDAYKAJDK-UHFFFAOYSA-N 0 0 329.356 3.276 40 5 EGBBRN CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000193093854 240017979 /nfs/dbraw/zinc/01/79/79/240017979.db2.gz JGXUBVSWIWJMGY-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN CCCN1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000022699040 212318781 /nfs/dbraw/zinc/31/87/81/212318781.db2.gz QYGWLDCFPKFOMC-UHFFFAOYSA-N 0 0 346.412 3.072 40 5 EGBBRN COc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000020457434 212132910 /nfs/dbraw/zinc/13/29/10/212132910.db2.gz IBGAPTQNKZRVQU-GFCCVEGCSA-N 0 0 344.367 3.032 40 5 EGBBRN C[C@H](CCc1ccccc1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020046846 212097787 /nfs/dbraw/zinc/09/77/87/212097787.db2.gz XKMOQWRNTAXYJF-CQSZACIVSA-N 0 0 348.424 3.036 40 5 EGBBRN O=C(Cn1c(=O)c2ccccc2c2ccccc21)NCc1ccco1 ZINC000012360285 211355432 /nfs/dbraw/zinc/35/54/32/211355432.db2.gz DEHUUFUTJWBXJS-UHFFFAOYSA-N 0 0 332.359 3.064 40 5 EGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 ZINC000007093572 210759425 /nfs/dbraw/zinc/75/94/25/210759425.db2.gz LAQUROCGBFVSMF-UHFFFAOYSA-N 0 0 330.409 3.187 40 5 EGBBRN Cc1nc2ccccc2nc1COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006796312 210713998 /nfs/dbraw/zinc/71/39/98/210713998.db2.gz DVNPGNLPIJCEPR-UHFFFAOYSA-N 0 0 340.295 3.334 40 5 EGBBRN Cc1nc(N[C@H](CN2CCCC2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000268533600 252001621 /nfs/dbraw/zinc/00/16/21/252001621.db2.gz XVCVHJHHFBUVHK-OAHLLOKOSA-N 0 0 340.383 3.074 40 5 EGBBRN COc1ccc(NC(C)=O)c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000096427459 218798626 /nfs/dbraw/zinc/79/86/26/218798626.db2.gz KRZSTIBZARIZSE-UHFFFAOYSA-N 0 0 329.356 3.482 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2nsc3c2ncnc3N2CCCC2)cc1 ZINC000001370892 275034825 /nfs/dbraw/zinc/03/48/25/275034825.db2.gz CVVPRUGERJQIAS-UHFFFAOYSA-N 0 0 327.369 3.262 40 5 EGBBRN COC(=O)Nc1c([N+](=O)[O-])cc(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000256027775 455878077 /nfs/dbraw/zinc/87/80/77/455878077.db2.gz AZBBWLHGHWYXBO-UHFFFAOYSA-N 0 0 341.223 3.293 40 5 EGBBRN C[C@@H]1C[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCO1 ZINC000390833952 324284144 /nfs/dbraw/zinc/28/41/44/324284144.db2.gz PIQRQQYJKWIOPL-GHMZBOCLSA-N 0 0 342.355 3.332 40 5 EGBBRN CC(=O)Nc1ccc(Oc2cc(NC(C)=O)cc([N+](=O)[O-])c2)cc1 ZINC000000357252 452569531 /nfs/dbraw/zinc/56/95/31/452569531.db2.gz AHHBFPAPMJEROL-UHFFFAOYSA-N 0 0 329.312 3.304 40 5 EGBBRN CC(=O)Nc1cccc(OCCCOc2cccc([N+](=O)[O-])c2)c1 ZINC000001699668 452675538 /nfs/dbraw/zinc/67/55/38/452675538.db2.gz IJVJAFJGXBATBA-UHFFFAOYSA-N 0 0 330.340 3.401 40 5 EGBBRN Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc(C)c1C ZINC000002623904 452709274 /nfs/dbraw/zinc/70/92/74/452709274.db2.gz JXTCMMKNQKBXDP-UHFFFAOYSA-N 0 0 332.385 3.041 40 5 EGBBRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000003103668 452741666 /nfs/dbraw/zinc/74/16/66/452741666.db2.gz FOXSHIYCRCSYAP-UHFFFAOYSA-N 0 0 326.761 3.357 40 5 EGBBRN Cc1c(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O ZINC000003076022 452742300 /nfs/dbraw/zinc/74/23/00/452742300.db2.gz YZQNLZKLDXBVKC-UHFFFAOYSA-N 0 0 331.284 3.078 40 5 EGBBRN COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])cc(N)c1[N+](=O)[O-] ZINC000005334943 452861399 /nfs/dbraw/zinc/86/13/99/452861399.db2.gz YWXWFOYADCTDPY-UHFFFAOYSA-N 0 0 349.324 3.023 40 5 EGBBRN Cn1c2ccc3c(=O)c4c([nH]c3c2c(=O)c2c1CCCC2)CCCC4 ZINC000005386766 452864549 /nfs/dbraw/zinc/86/45/49/452864549.db2.gz AFPZHTLQJAININ-UHFFFAOYSA-N 0 0 334.419 3.138 40 5 EGBBRN CCCNC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005785058 452901516 /nfs/dbraw/zinc/90/15/16/452901516.db2.gz ZWXDFKKLKCNOOG-UHFFFAOYSA-N 0 0 336.226 3.053 40 5 EGBBRN CCOC(=O)N1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000005856138 452905001 /nfs/dbraw/zinc/90/50/01/452905001.db2.gz GMDPPHXPURQLKC-UHFFFAOYSA-N 0 0 327.768 3.281 40 5 EGBBRN Cc1ccc(C[C@]2(CO)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000006211992 452925596 /nfs/dbraw/zinc/92/55/96/452925596.db2.gz QQWZDCLFGJAWNK-IBGZPJMESA-N 0 0 341.363 3.008 40 5 EGBBRN CC(=O)Nc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1C ZINC000006519741 452949764 /nfs/dbraw/zinc/94/97/64/452949764.db2.gz TXESGKGCZJEGQZ-UHFFFAOYSA-N 0 0 328.324 3.219 40 5 EGBBRN O=[N+]([O-])c1ccc(NNc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000006535767 452950704 /nfs/dbraw/zinc/95/07/04/452950704.db2.gz QXWIQNRBOGPRQA-UHFFFAOYSA-N 0 0 347.338 3.163 40 5 EGBBRN C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007307974 453057271 /nfs/dbraw/zinc/05/72/71/453057271.db2.gz ZFSWUVFJSVEQIY-JTQLQIEISA-N 0 0 340.788 3.288 40 5 EGBBRN Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000008336212 453194474 /nfs/dbraw/zinc/19/44/74/453194474.db2.gz YIFIGSWRIQKIPU-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN CCOC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000010442038 453291046 /nfs/dbraw/zinc/29/10/46/453291046.db2.gz OUFJPIDDMJCRGC-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000013972050 453495146 /nfs/dbraw/zinc/49/51/46/453495146.db2.gz KLDPIUGLVSFEAR-UHFFFAOYSA-N 0 0 330.340 3.102 40 5 EGBBRN COc1ccc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000076477474 454004957 /nfs/dbraw/zinc/00/49/57/454004957.db2.gz NQGANGCSWLHWEW-UHFFFAOYSA-N 0 0 349.412 3.342 40 5 EGBBRN C[C@H](CNc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000096475452 454362853 /nfs/dbraw/zinc/36/28/53/454362853.db2.gz OJDWLUHYOMIAGV-CQSZACIVSA-N 0 0 327.384 3.144 40 5 EGBBRN O=c1ccc([N+](=O)[O-])cn1CCSc1ncc(-c2ccccc2)o1 ZINC000096485731 454367786 /nfs/dbraw/zinc/36/77/86/454367786.db2.gz XCVQYQPIDGWWPZ-UHFFFAOYSA-N 0 0 343.364 3.204 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N1CCCc2cc(C)cc(F)c21 ZINC000096493606 454369965 /nfs/dbraw/zinc/36/99/65/454369965.db2.gz NDFBGLXKEDGYOT-UHFFFAOYSA-N 0 0 346.362 3.160 40 5 EGBBRN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@H]4CC[C@@H]5[C@@H]2[C@@H]3[C@@H]45)c([N+](=O)[O-])c1 ZINC000104284834 454580065 /nfs/dbraw/zinc/58/00/65/454580065.db2.gz HNWWOXVKOZVYOS-VKBLOTRZSA-N 0 0 330.340 3.310 40 5 EGBBRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)cc(F)c1N ZINC000252481525 455807929 /nfs/dbraw/zinc/80/79/29/455807929.db2.gz CNLYMOGWHREURG-UHFFFAOYSA-N 0 0 337.738 3.242 40 5 EGBBRN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000223241188 456055345 /nfs/dbraw/zinc/05/53/45/456055345.db2.gz BEOZOCWUWNVKII-UHFFFAOYSA-N 0 0 342.760 3.058 40 5 EGBBRN Cc1cccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000223726469 456059341 /nfs/dbraw/zinc/05/93/41/456059341.db2.gz JTFNIMQUCYELDY-UHFFFAOYSA-N 0 0 334.397 3.032 40 5 EGBBRN CCN(c1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224998251 456070735 /nfs/dbraw/zinc/07/07/35/456070735.db2.gz ZDLSPPSPRDGYRG-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000224926042 456071090 /nfs/dbraw/zinc/07/10/90/456071090.db2.gz JRPIUJYEVOWURN-UHFFFAOYSA-N 0 0 344.751 3.212 40 5 EGBBRN O=C(CSc1nc(=O)c2ccsc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000408597823 457584409 /nfs/dbraw/zinc/58/44/09/457584409.db2.gz AHFJLANHJCHGDS-UHFFFAOYSA-N 0 0 347.377 3.280 40 5 EGBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1n[nH]c(Cc2ccccc2)n1 ZINC000409384423 457598041 /nfs/dbraw/zinc/59/80/41/457598041.db2.gz BHQJRPQCBKFKQI-UHFFFAOYSA-N 0 0 340.364 3.267 40 5 EGBBRN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000217867030 535800842 /nfs/dbraw/zinc/80/08/42/535800842.db2.gz SAMUPBJVIPGXDA-OAHLLOKOSA-N 0 0 344.367 3.493 40 5 EGBBRN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000055676378 214337697 /nfs/dbraw/zinc/33/76/97/214337697.db2.gz CQMZLCVTDWHANQ-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000056459946 214375567 /nfs/dbraw/zinc/37/55/67/214375567.db2.gz SGQFTSKDYJMJJG-LLVKDONJSA-N 0 0 331.294 3.079 40 5 EGBBRN CCc1ccc(C(=O)COC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1 ZINC000004509106 210209385 /nfs/dbraw/zinc/20/93/85/210209385.db2.gz OAQPPRNWBCCNLK-UHFFFAOYSA-N 0 0 342.351 3.239 40 5 EGBBRN COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000004342087 210175354 /nfs/dbraw/zinc/17/53/54/210175354.db2.gz KVOJUPJZMMUUDL-ONNFQVAWSA-N 0 0 328.324 3.264 40 5 EGBBRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000067086279 215112217 /nfs/dbraw/zinc/11/22/17/215112217.db2.gz XNBYAGDIKLURSZ-CYBMUJFWSA-N 0 0 328.368 3.409 40 5 EGBBRN O=C(Nc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003223814 209981344 /nfs/dbraw/zinc/98/13/44/209981344.db2.gz JHDGGAXOZRAARE-UHFFFAOYSA-N 0 0 348.340 3.091 40 5 EGBBRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036621162 213105061 /nfs/dbraw/zinc/10/50/61/213105061.db2.gz CTHPHGPMCVKAFA-KRWDZBQOSA-N 0 0 346.408 3.429 40 5 EGBBRN CO[C@]1(C)C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000072511837 216265299 /nfs/dbraw/zinc/26/52/99/216265299.db2.gz CFZFRVBDDAMYQY-XHDPSFHLSA-N 0 0 326.780 3.182 40 5 EGBBRN COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C(N)=O)c3o2)cc1Cl ZINC000216729451 241206531 /nfs/dbraw/zinc/20/65/31/241206531.db2.gz ZZUHJAJUDLVDDI-UHFFFAOYSA-N 0 0 347.714 3.164 40 5 EGBBRN C[C@H]1CCc2ccccc2N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000022060942 212274323 /nfs/dbraw/zinc/27/43/23/212274323.db2.gz XXTXMDUHXNXJFA-AWEZNQCLSA-N 0 0 339.395 3.399 40 5 EGBBRN COc1cccc(OC)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000225995482 242085602 /nfs/dbraw/zinc/08/56/02/242085602.db2.gz LTHYVEYPJRKHJQ-UHFFFAOYSA-N 0 0 330.340 3.183 40 5 EGBBRN Cc1c(Cl)cccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020106633 212101559 /nfs/dbraw/zinc/10/15/59/212101559.db2.gz KNNKEFYAFCNOAC-UHFFFAOYSA-N 0 0 340.788 3.499 40 5 EGBBRN COc1ccc([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000020048773 212098047 /nfs/dbraw/zinc/09/80/47/212098047.db2.gz FSENDBUHCDKZOL-VKUYVZBCSA-N 0 0 326.352 3.494 40 5 EGBBRN CCOC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1Br ZINC000085386510 217661803 /nfs/dbraw/zinc/66/18/03/217661803.db2.gz OQJHPJIFXDNCHI-UHFFFAOYSA-N 0 0 325.118 3.082 40 5 EGBBRN Cc1c(NC(=O)CNc2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000011041326 211201829 /nfs/dbraw/zinc/20/18/29/211201829.db2.gz HLKYZLFZEPOIMR-UHFFFAOYSA-N 0 0 339.273 3.371 40 5 EGBBRN COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000009049082 211034928 /nfs/dbraw/zinc/03/49/28/211034928.db2.gz WQYCXRVTGWMWIP-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN O=C(OCc1csc(Br)c1)c1ccc([N+](=O)[O-])cn1 ZINC000095416731 218356082 /nfs/dbraw/zinc/35/60/82/218356082.db2.gz RQJSLJQLSZGGCL-UHFFFAOYSA-N 0 0 343.158 3.171 40 5 EGBBRN Cc1nn(CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000007391442 210793803 /nfs/dbraw/zinc/79/38/03/210793803.db2.gz WWSZHTKOUXPLPJ-NILFDRSVSA-N 0 0 337.420 3.412 40 5 EGBBRN CSc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000132337274 532995020 /nfs/dbraw/zinc/99/50/20/532995020.db2.gz WYRHPLJHNWOCBQ-UHFFFAOYSA-N 0 0 338.410 3.142 40 5 EGBBRN O=Cc1ccc(Sc2nnc(-c3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000408583911 257895633 /nfs/dbraw/zinc/89/56/33/257895633.db2.gz YQUMBTLWUNCOEH-UHFFFAOYSA-N 0 0 328.309 3.004 40 5 EGBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Br)cc1 ZINC000000362495 275031109 /nfs/dbraw/zinc/03/11/09/275031109.db2.gz BUDQOYPYRWXHOA-UHFFFAOYSA-N 0 0 347.124 3.158 40 5 EGBBRN CO[C@@]1(C)C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000072511838 294150522 /nfs/dbraw/zinc/15/05/22/294150522.db2.gz CFZFRVBDDAMYQY-ABAIWWIYSA-N 0 0 326.780 3.182 40 5 EGBBRN NC(=O)c1cccc(N2CCC[C@@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000252481132 295188053 /nfs/dbraw/zinc/18/80/53/295188053.db2.gz CHYYISOWILDMQX-OAHLLOKOSA-N 0 0 339.395 3.468 40 5 EGBBRN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000253417080 304800149 /nfs/dbraw/zinc/80/01/49/304800149.db2.gz MEHYCQCXJWMNBP-STQMWFEESA-N 0 0 337.738 3.095 40 5 EGBBRN C[C@H]1C[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCO1 ZINC000390833954 324284027 /nfs/dbraw/zinc/28/40/27/324284027.db2.gz PIQRQQYJKWIOPL-QWRGUYRKSA-N 0 0 342.355 3.332 40 5 EGBBRN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(C)cc1 ZINC000000215059 452539249 /nfs/dbraw/zinc/53/92/49/452539249.db2.gz ZQVPPBYXLZRWAS-UHFFFAOYSA-N 0 0 336.779 3.480 40 5 EGBBRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000003388466 452762195 /nfs/dbraw/zinc/76/21/95/452762195.db2.gz UZTWGDRRTZIXCD-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN CCN(CC)c1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1 ZINC000005247192 452851524 /nfs/dbraw/zinc/85/15/24/452851524.db2.gz HDFUKJGHXXRPSO-UHFFFAOYSA-N 0 0 331.376 3.292 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005547268 452882903 /nfs/dbraw/zinc/88/29/03/452882903.db2.gz RCLJMFZBTINBEJ-WEVVVXLNSA-N 0 0 327.296 3.463 40 5 EGBBRN CCC(=O)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000006309262 452933364 /nfs/dbraw/zinc/93/33/64/452933364.db2.gz MNUXYJUCMMVUSN-UHFFFAOYSA-N 0 0 328.324 3.300 40 5 EGBBRN CCCc1nnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1CC ZINC000007605273 453091409 /nfs/dbraw/zinc/09/14/09/453091409.db2.gz DQZHBHCMZPTZKV-UHFFFAOYSA-N 0 0 337.361 3.218 40 5 EGBBRN Cc1ccc(SCCNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008427903 453203444 /nfs/dbraw/zinc/20/34/44/453203444.db2.gz CIQFZEJFUIBCGD-UHFFFAOYSA-N 0 0 346.408 3.191 40 5 EGBBRN CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1C(C)C ZINC000013995594 453496362 /nfs/dbraw/zinc/49/63/62/453496362.db2.gz IXOLJDFZBQZOKF-UHFFFAOYSA-N 0 0 349.416 3.060 40 5 EGBBRN CCCc1noc(-c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)n1 ZINC000015669955 453582145 /nfs/dbraw/zinc/58/21/45/453582145.db2.gz HCVNLMSDSMKALD-GFCCVEGCSA-N 0 0 332.360 3.188 40 5 EGBBRN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000026508856 453801714 /nfs/dbraw/zinc/80/17/14/453801714.db2.gz VVBGSOXIRJHLPX-UHFFFAOYSA-N 0 0 337.332 3.424 40 5 EGBBRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1coc(Br)c1 ZINC000031931010 453858336 /nfs/dbraw/zinc/85/83/36/453858336.db2.gz ZHBGTAHUIUXVIE-UHFFFAOYSA-N 0 0 339.145 3.223 40 5 EGBBRN Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000071977555 454263914 /nfs/dbraw/zinc/26/39/14/454263914.db2.gz WPPGGXARLCRNIO-UHFFFAOYSA-N 0 0 336.307 3.030 40 5 EGBBRN Cn1c(SCc2c(F)cccc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000096404036 454322740 /nfs/dbraw/zinc/32/27/40/454322740.db2.gz ZDVOJSZCWUEGIV-UHFFFAOYSA-N 0 0 345.359 3.217 40 5 EGBBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000065721601 454613813 /nfs/dbraw/zinc/61/38/13/454613813.db2.gz PJOFFEQYKPSCCQ-AWEZNQCLSA-N 0 0 328.368 3.409 40 5 EGBBRN Cc1c(NC(=O)[C@@H](C)Nc2cnn(C(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000186261237 455728178 /nfs/dbraw/zinc/72/81/78/455728178.db2.gz NSKQJLJUJFTVMJ-GFCCVEGCSA-N 0 0 345.403 3.294 40 5 EGBBRN Cc1ccc(NC(=O)CCNc2ncc([N+](=O)[O-])s2)c(Cl)c1 ZINC000253433314 455848895 /nfs/dbraw/zinc/84/88/95/455848895.db2.gz VNIITACHVJEFCS-UHFFFAOYSA-N 0 0 340.792 3.454 40 5 EGBBRN O=Cc1cn(CC(=O)OCc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000408603303 457584223 /nfs/dbraw/zinc/58/42/23/457584223.db2.gz FOUCATDTCLWNAG-UHFFFAOYSA-N 0 0 338.319 3.105 40 5 EGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)cc1 ZINC000408678383 457585256 /nfs/dbraw/zinc/58/52/56/457585256.db2.gz XZIJRYZDKZTBGW-UHFFFAOYSA-N 0 0 341.367 3.456 40 5 EGBBRN CCOc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409178832 457594604 /nfs/dbraw/zinc/59/46/04/457594604.db2.gz NPTSLMANIDCJGE-UHFFFAOYSA-N 0 0 333.369 3.119 40 5 EGBBRN CC(C)(C)N(Cc1ccccn1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000191703866 526281317 /nfs/dbraw/zinc/28/13/17/526281317.db2.gz ILPBMMUCZWXEEA-UHFFFAOYSA-N 0 0 327.384 3.360 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(Cl)c1 ZINC000003603985 210063690 /nfs/dbraw/zinc/06/36/90/210063690.db2.gz PHGRWWCGCVCWOC-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000044902020 213666525 /nfs/dbraw/zinc/66/65/25/213666525.db2.gz HRHBLIDSRLSGOM-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003197150 209977046 /nfs/dbraw/zinc/97/70/46/209977046.db2.gz YFIBOGQDHASPLK-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN O=C1C[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000129399216 223051958 /nfs/dbraw/zinc/05/19/58/223051958.db2.gz PJJQMJZFAJYPPE-QMMMGPOBSA-N 0 0 344.198 3.324 40 5 EGBBRN O=[N+]([O-])c1ccc(SC[C@@H]2CSc3c4ncnc-4ncn32)cc1 ZINC000072414674 216204798 /nfs/dbraw/zinc/20/47/98/216204798.db2.gz NTIDIKSILLCIFF-SNVBAGLBSA-N 0 0 345.409 3.125 40 5 EGBBRN O=C(/C=C/c1ccsc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009338617 283723765 /nfs/dbraw/zinc/72/37/65/283723765.db2.gz HCCFCGNDEVKMBM-AATRIKPKSA-N 0 0 343.408 3.018 40 5 EGBBRN COc1cc(OCC(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000022259405 212286356 /nfs/dbraw/zinc/28/63/56/212286356.db2.gz PDRZQCYNERUSSA-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN COc1cc(OCC(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000022259409 212286701 /nfs/dbraw/zinc/28/67/01/212286701.db2.gz PODTWPCGXZEYSM-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(C)o1 ZINC000195576712 241022454 /nfs/dbraw/zinc/02/24/54/241022454.db2.gz IMHYVOVLZPEMCU-JTQLQIEISA-N 0 0 338.385 3.381 40 5 EGBBRN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(C)o1 ZINC000195576710 241022952 /nfs/dbraw/zinc/02/29/52/241022952.db2.gz IMHYVOVLZPEMCU-SNVBAGLBSA-N 0 0 338.385 3.381 40 5 EGBBRN COc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000020494618 212140718 /nfs/dbraw/zinc/14/07/18/212140718.db2.gz UWJKMOJDUDJTQW-GFCCVEGCSA-N 0 0 344.367 3.411 40 5 EGBBRN CCn1c(C)nnc1SCC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000020033719 212095695 /nfs/dbraw/zinc/09/56/95/212095695.db2.gz BXKJPZZZWUDVLD-UHFFFAOYSA-N 0 0 340.792 3.143 40 5 EGBBRN CCCC(=O)[C@@H](CC)C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000019863852 212077911 /nfs/dbraw/zinc/07/79/11/212077911.db2.gz OJNRAHDZFITYIB-CQSZACIVSA-N 0 0 334.372 3.278 40 5 EGBBRN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000009314175 211065456 /nfs/dbraw/zinc/06/54/56/211065456.db2.gz MFQKIKKYPOWZQW-UHFFFAOYSA-N 0 0 341.367 3.329 40 5 EGBBRN Cc1c2ccccc2oc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000007256820 210775917 /nfs/dbraw/zinc/77/59/17/210775917.db2.gz GWPPNGRPQUQPAK-UHFFFAOYSA-N 0 0 339.351 3.491 40 5 EGBBRN CC(C)c1nnc(COc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000096424969 218793618 /nfs/dbraw/zinc/79/36/18/218793618.db2.gz DVNOCNIOTZTFRV-UHFFFAOYSA-N 0 0 342.149 3.443 40 5 EGBBRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCc1cccs1 ZINC000096427290 218798560 /nfs/dbraw/zinc/79/85/60/218798560.db2.gz XHCSXPYBTKDYBZ-UHFFFAOYSA-N 0 0 333.369 3.268 40 5 EGBBRN Cc1cnc(OCc2noc(-c3ccccc3C)n2)c([N+](=O)[O-])c1 ZINC000096472010 218850139 /nfs/dbraw/zinc/85/01/39/218850139.db2.gz TUICJOXFOBLKAK-UHFFFAOYSA-N 0 0 326.312 3.236 40 5 EGBBRN O=C(NCCO)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408992170 257884041 /nfs/dbraw/zinc/88/40/41/257884041.db2.gz QSOSLVBWMIIPSO-UHFFFAOYSA-N 0 0 338.392 3.112 40 5 EGBBRN Nc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1Br ZINC000216925778 274964128 /nfs/dbraw/zinc/96/41/28/274964128.db2.gz IEDYUCDNKIEGEF-UHFFFAOYSA-N 0 0 333.145 3.483 40 5 EGBBRN COc1ccc(C)cc1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001628063 295107894 /nfs/dbraw/zinc/10/78/94/295107894.db2.gz HWCOZDKCYXNEAI-UHFFFAOYSA-N 0 0 341.772 3.398 40 5 EGBBRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1cncc(F)c1 ZINC000097102303 323214881 /nfs/dbraw/zinc/21/48/81/323214881.db2.gz HFZCVASDDINGIM-NSHDSACASA-N 0 0 329.331 3.039 40 5 EGBBRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCc2cccnc21 ZINC000241435185 455267819 /nfs/dbraw/zinc/26/78/19/455267819.db2.gz NLKLFUDXLSGEOR-QGZVFWFLSA-N 0 0 339.395 3.111 40 5 EGBBRN CC(=O)C(Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000001592620 452670540 /nfs/dbraw/zinc/67/05/40/452670540.db2.gz VHPPSAAEDZTCTE-UHFFFAOYSA-N 0 0 328.324 3.493 40 5 EGBBRN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001993504 452683432 /nfs/dbraw/zinc/68/34/32/452683432.db2.gz ONSNYAYNZGMVIE-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)cc1O ZINC000003076994 452742545 /nfs/dbraw/zinc/74/25/45/452742545.db2.gz MFZICIHGDUGFKR-UHFFFAOYSA-N 0 0 331.284 3.078 40 5 EGBBRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1 ZINC000003280538 452755705 /nfs/dbraw/zinc/75/57/05/452755705.db2.gz UHNYITHFIWVEQD-QMMMGPOBSA-N 0 0 338.703 3.025 40 5 EGBBRN Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000003578100 452781649 /nfs/dbraw/zinc/78/16/49/452781649.db2.gz NBLKUQHIRRCXNZ-UHFFFAOYSA-N 0 0 327.369 3.078 40 5 EGBBRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)no1 ZINC000003904224 452787383 /nfs/dbraw/zinc/78/73/83/452787383.db2.gz FCEYEPAFHWXAFM-UHFFFAOYSA-N 0 0 333.347 3.090 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccccc2)o1 ZINC000004330281 452799969 /nfs/dbraw/zinc/79/99/69/452799969.db2.gz XXOWDUNVJZCGKI-MDZDMXLPSA-N 0 0 336.307 3.297 40 5 EGBBRN O=C(OCC1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005708696 452897285 /nfs/dbraw/zinc/89/72/85/452897285.db2.gz GUSVSDQCMYJFOQ-UHFFFAOYSA-N 0 0 348.399 3.169 40 5 EGBBRN CC(=O)c1ccccc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000015125059 453558847 /nfs/dbraw/zinc/55/88/47/453558847.db2.gz BUEIOJIHBKYUHY-UHFFFAOYSA-N 0 0 327.340 3.156 40 5 EGBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cccs1 ZINC000015836252 453586377 /nfs/dbraw/zinc/58/63/77/453586377.db2.gz CUSSTBBHSAMFDH-LLVKDONJSA-N 0 0 338.410 3.182 40 5 EGBBRN Cc1c(C(=O)NCCCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000017826881 453638360 /nfs/dbraw/zinc/63/83/60/453638360.db2.gz LXWYOBUZAZFEIO-UHFFFAOYSA-N 0 0 327.384 3.160 40 5 EGBBRN O=[N+]([O-])c1cc(Cn2cnc3cc(F)c(F)cc32)c2c(c1)COCO2 ZINC000024425707 453733271 /nfs/dbraw/zinc/73/32/71/453733271.db2.gz QPHLQCDOYCFONX-UHFFFAOYSA-N 0 0 347.277 3.138 40 5 EGBBRN Cc1ccccc1NCCC(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000025256184 453763196 /nfs/dbraw/zinc/76/31/96/453763196.db2.gz MIVXDWSLHRKNDI-UHFFFAOYSA-N 0 0 327.384 3.364 40 5 EGBBRN CN1C(=O)[C@@H]2C=CC=C[C@H]2N=C1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000096310118 454317861 /nfs/dbraw/zinc/31/78/61/454317861.db2.gz LIHXCSZPUAXTNN-ZYHUDNBSSA-N 0 0 349.799 3.279 40 5 EGBBRN Cc1cccc([C@@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000096423795 454337757 /nfs/dbraw/zinc/33/77/57/454337757.db2.gz LIVNRAIJSWXXAJ-KRWDZBQOSA-N 0 0 342.399 3.162 40 5 EGBBRN CCOc1ncc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000112231544 454883148 /nfs/dbraw/zinc/88/31/48/454883148.db2.gz IZOSHJHVERTCBR-UHFFFAOYSA-N 0 0 335.747 3.319 40 5 EGBBRN COc1ncc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc1Cl ZINC000252489442 455812227 /nfs/dbraw/zinc/81/22/27/455812227.db2.gz JRDMKZLYZUUJIP-UHFFFAOYSA-N 0 0 347.758 3.163 40 5 EGBBRN CCN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224748556 456069946 /nfs/dbraw/zinc/06/99/46/456069946.db2.gz AWSZIXOXUUQEJY-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225018023 456071756 /nfs/dbraw/zinc/07/17/56/456071756.db2.gz DHGXKQRNWKJQOU-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C/[N+](=O)[O-] ZINC000408527543 457580724 /nfs/dbraw/zinc/58/07/24/457580724.db2.gz OUINALRKPIAZOR-OFJXCKHESA-N 0 0 340.291 3.461 40 5 EGBBRN COc1cc(NC(=O)Cn2ccc3ccccc32)ccc1[N+](=O)[O-] ZINC000408554532 457580807 /nfs/dbraw/zinc/58/08/07/457580807.db2.gz TUEHYTBXERQHOP-UHFFFAOYSA-N 0 0 325.324 3.197 40 5 EGBBRN CCn1c(=O)c2c(nc1SCc1cccc([N+](=O)[O-])c1)CCS2 ZINC000004339369 210175007 /nfs/dbraw/zinc/17/50/07/210175007.db2.gz WCHBLSLSZDWMAQ-UHFFFAOYSA-N 0 0 349.437 3.112 40 5 EGBBRN COc1cc(OCC(=O)Nc2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000066012966 215003308 /nfs/dbraw/zinc/00/33/08/215003308.db2.gz BYGQJMAFZQITGO-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000037170481 213134385 /nfs/dbraw/zinc/13/43/85/213134385.db2.gz RXQGGKSXRCOZHW-AWEZNQCLSA-N 0 0 340.379 3.453 40 5 EGBBRN CCc1noc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)n1 ZINC000020897991 212183787 /nfs/dbraw/zinc/18/37/87/212183787.db2.gz PZAAXGJPWAITQA-UHFFFAOYSA-N 0 0 325.328 3.214 40 5 EGBBRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000020460666 212133407 /nfs/dbraw/zinc/13/34/07/212133407.db2.gz GPBUKVMUVZEVPP-AWEZNQCLSA-N 0 0 348.424 3.392 40 5 EGBBRN C[S@](=O)Cc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000079360861 217215063 /nfs/dbraw/zinc/21/50/63/217215063.db2.gz FCSSZGPQNKVILB-HCXLOTKHSA-N 0 0 344.392 3.125 40 5 EGBBRN COc1ccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000079849267 217257196 /nfs/dbraw/zinc/25/71/96/217257196.db2.gz LYJZAIZNKOZPAP-FMIVXFBMSA-N 0 0 340.379 3.366 40 5 EGBBRN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCOc1ccccc1C ZINC000012781063 211455427 /nfs/dbraw/zinc/45/54/27/211455427.db2.gz KYBNWKAQMSEABN-UHFFFAOYSA-N 0 0 344.367 3.205 40 5 EGBBRN COc1ccc2cc(CNc3ccc([N+](=O)[O-])cc3C)c(=O)[nH]c2c1 ZINC000012493327 211393958 /nfs/dbraw/zinc/39/39/58/211393958.db2.gz XNAPEOJTVKLRMO-UHFFFAOYSA-N 0 0 339.351 3.365 40 5 EGBBRN O=C1c2ccccc2C(=O)N1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004159878 285022047 /nfs/dbraw/zinc/02/20/47/285022047.db2.gz IUNOOJMZOXFDJK-UHFFFAOYSA-N 0 0 336.225 3.414 40 5 EGBBRN Cc1cc(NC(=O)N2CCC(c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000097095996 218949691 /nfs/dbraw/zinc/94/96/91/218949691.db2.gz VIQSYMHPECPOQB-UHFFFAOYSA-N 0 0 343.387 3.048 40 5 EGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc(Cl)cc1 ZINC000003496584 208560924 /nfs/dbraw/zinc/56/09/24/208560924.db2.gz LUNIJIKXYREDGU-UHFFFAOYSA-N 0 0 340.744 3.105 40 5 EGBBRN O=[N+]([O-])c1ccc(OC2CCN(c3ncc(Cl)cn3)CC2)cc1 ZINC000175048224 285137201 /nfs/dbraw/zinc/13/72/01/285137201.db2.gz WRTUHHNTGALJNE-UHFFFAOYSA-N 0 0 334.763 3.086 40 5 EGBBRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000195567526 323888057 /nfs/dbraw/zinc/88/80/57/323888057.db2.gz NOODSLZVKWXSKP-NSHDSACASA-N 0 0 344.415 3.480 40 5 EGBBRN C[C@@H]1C[C@]2(c3cccc([N+](=O)[O-])c3)O[C@@H]2CN1C(=O)OC(C)(C)C ZINC000242554617 455271326 /nfs/dbraw/zinc/27/13/26/455271326.db2.gz MOULGJYDBLVRDF-JDSLSITLSA-N 0 0 334.372 3.218 40 5 EGBBRN O=C1NC(=S)NC1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000434415 452591127 /nfs/dbraw/zinc/59/11/27/452591127.db2.gz NETGCFHOKLDASQ-UXBLZVDNSA-N 0 0 349.755 3.265 40 5 EGBBRN COc1ccc(/C(=C/c2cc(OC)c(OC)c(OC)c2)[N+](=O)[O-])cc1 ZINC000001669556 452671726 /nfs/dbraw/zinc/67/17/26/452671726.db2.gz YNJBCHRXOOPVIA-DHDCSXOGSA-N 0 0 345.351 3.496 40 5 EGBBRN O=C(NCCCOc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000001619322 452672403 /nfs/dbraw/zinc/67/24/03/452672403.db2.gz VUSUUIHSSCQCKF-UHFFFAOYSA-N 0 0 330.340 3.290 40 5 EGBBRN CCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001801463 452679197 /nfs/dbraw/zinc/67/91/97/452679197.db2.gz DUIMGYARKOZIJC-UHFFFAOYSA-N 0 0 328.324 3.414 40 5 EGBBRN CCOP(=O)(OCC)C(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003180313 452746135 /nfs/dbraw/zinc/74/61/35/452746135.db2.gz OGGXLQHOCHQJIQ-UHFFFAOYSA-N 0 0 344.304 3.327 40 5 EGBBRN Cc1cccc(NC(=O)CCC(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC000006523032 452949860 /nfs/dbraw/zinc/94/98/60/452949860.db2.gz OVZOCLPJTUUQJL-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN Cc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000007217006 453046833 /nfs/dbraw/zinc/04/68/33/453046833.db2.gz MWYCGPVSBIUDLI-UHFFFAOYSA-N 0 0 334.397 3.032 40 5 EGBBRN O=[N+]([O-])c1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1 ZINC000007601528 453091514 /nfs/dbraw/zinc/09/15/14/453091514.db2.gz FMHPTLKZZNUFPT-UHFFFAOYSA-N 0 0 327.369 3.260 40 5 EGBBRN COc1ccc(CC(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000008258202 453182818 /nfs/dbraw/zinc/18/28/18/453182818.db2.gz QRTZGMJOQRODDB-LBPRGKRZSA-N 0 0 345.351 3.459 40 5 EGBBRN COc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000011611247 453326035 /nfs/dbraw/zinc/32/60/35/453326035.db2.gz ZNBQIFVAMNDBMS-GFCCVEGCSA-N 0 0 330.340 3.318 40 5 EGBBRN CC(C)c1noc(-c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)n1 ZINC000015669962 453582168 /nfs/dbraw/zinc/58/21/68/453582168.db2.gz BUPJBFLXKWEKEY-LBPRGKRZSA-N 0 0 332.360 3.359 40 5 EGBBRN Cc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)oc2c1C(=O)CC(C)(C)C2 ZINC000016806023 453622277 /nfs/dbraw/zinc/62/22/77/453622277.db2.gz OMKXVSLIJHEHPI-UHFFFAOYSA-N 0 0 349.368 3.360 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000020666896 453667437 /nfs/dbraw/zinc/66/74/37/453667437.db2.gz AXWJMJKRFFJLNY-UHFFFAOYSA-N 0 0 345.296 3.099 40 5 EGBBRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000120028859 454249110 /nfs/dbraw/zinc/24/91/10/454249110.db2.gz OACZQRVCCVWQOF-IUODEOHRSA-N 0 0 347.371 3.438 40 5 EGBBRN CCN(c1ccccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000047214255 454341331 /nfs/dbraw/zinc/34/13/31/454341331.db2.gz KPIOBFJRIDTDOW-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN O=c1c([N+](=O)[O-])cc(Br)cn1CCCCC(F)(F)F ZINC000096488997 454369061 /nfs/dbraw/zinc/36/90/61/454369061.db2.gz NLNONWLTJXRZIQ-UHFFFAOYSA-N 0 0 343.099 3.252 40 5 EGBBRN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000107487591 454759103 /nfs/dbraw/zinc/75/91/03/454759103.db2.gz ZWOUAHBUIGPPCJ-WPGHFRTFSA-N 0 0 338.429 3.088 40 5 EGBBRN COc1ccc(NC(C)=O)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000172856972 455196999 /nfs/dbraw/zinc/19/69/99/455196999.db2.gz GTPRUGJLISWIQS-UHFFFAOYSA-N 0 0 333.319 3.313 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000182594522 455548988 /nfs/dbraw/zinc/54/89/88/455548988.db2.gz JYRZGBAREBFRQN-AWEZNQCLSA-N 0 0 343.383 3.015 40 5 EGBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCO2 ZINC000408725157 457587814 /nfs/dbraw/zinc/58/78/14/457587814.db2.gz DANFNSRPPTVESQ-UHFFFAOYSA-N 0 0 346.364 3.195 40 5 EGBBRN Cc1cc(C)cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000055676387 214337179 /nfs/dbraw/zinc/33/71/79/214337179.db2.gz QZTBXMDGXBWXHO-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)O2)cc1[N+](=O)[O-] ZINC000000062160 209395247 /nfs/dbraw/zinc/39/52/47/209395247.db2.gz WVYRZPPBNMQCNM-RIYZIHGNSA-N 0 0 326.283 3.387 40 5 EGBBRN Cc1c(C=O)c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000216939691 241225840 /nfs/dbraw/zinc/22/58/40/241225840.db2.gz PUZJAFLGYADLBK-UHFFFAOYSA-N 0 0 338.319 3.390 40 5 EGBBRN O=C(c1ccc([N+](=O)[O-])cc1Cl)n1cc(CO)c2ccccc21 ZINC000216961028 241227184 /nfs/dbraw/zinc/22/71/84/241227184.db2.gz YWZCISWBHYNNOQ-UHFFFAOYSA-N 0 0 330.727 3.384 40 5 EGBBRN C[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225341893 241826216 /nfs/dbraw/zinc/82/62/16/241826216.db2.gz GRWNBDQXUSBVGT-OAHLLOKOSA-N 0 0 348.815 3.320 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1snnc1-c1cccs1 ZINC000225789393 242035559 /nfs/dbraw/zinc/03/55/59/242035559.db2.gz IGBZCPPFGOLING-UHFFFAOYSA-N 0 0 332.366 3.427 40 5 EGBBRN O=[N+]([O-])c1ccc(N2CCO[C@H](c3nccs3)C2)c2ccncc21 ZINC000253424819 243963324 /nfs/dbraw/zinc/96/33/24/243963324.db2.gz ISWPUGDRAPVWJZ-HNNXBMFYSA-N 0 0 342.380 3.177 40 5 EGBBRN C[C@H]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000016740164 211932291 /nfs/dbraw/zinc/93/22/91/211932291.db2.gz MGBOXFICZNIXQB-JTQLQIEISA-N 0 0 331.397 3.357 40 5 EGBBRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1occc1Br ZINC000081011504 217349969 /nfs/dbraw/zinc/34/99/69/217349969.db2.gz JGLNXCKBCKCCCI-UHFFFAOYSA-N 0 0 339.145 3.223 40 5 EGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1COc2ccccc2O1 ZINC000009578359 211104115 /nfs/dbraw/zinc/10/41/15/211104115.db2.gz QYJRZBDPLCVKQF-CQSZACIVSA-N 0 0 334.715 3.027 40 5 EGBBRN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005441660 210464200 /nfs/dbraw/zinc/46/42/00/210464200.db2.gz HLTWDJDBFOSBLY-UHFFFAOYSA-N 0 0 339.351 3.364 40 5 EGBBRN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000036620797 302218386 /nfs/dbraw/zinc/21/83/86/302218386.db2.gz QNISAGFMNLIOCA-OAHLLOKOSA-N 0 0 346.408 3.429 40 5 EGBBRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1sc(C)nc1C ZINC000390834114 324284336 /nfs/dbraw/zinc/28/43/36/324284336.db2.gz SENQWLPIHMVGRT-UHFFFAOYSA-N 0 0 349.412 3.039 40 5 EGBBRN C[C@@H]1C[C@@]2(c3cccc([N+](=O)[O-])c3)O[C@H]2CN1C(=O)OC(C)(C)C ZINC000242554618 455271542 /nfs/dbraw/zinc/27/15/42/455271542.db2.gz MOULGJYDBLVRDF-WHCBVINPSA-N 0 0 334.372 3.218 40 5 EGBBRN COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1OC ZINC000000497007 452608705 /nfs/dbraw/zinc/60/87/05/452608705.db2.gz LWOREKYVLBREEV-UHFFFAOYSA-N 0 0 326.312 3.064 40 5 EGBBRN Cn1ccc(C(=O)Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)n1 ZINC000001001091 452641368 /nfs/dbraw/zinc/64/13/68/452641368.db2.gz NICVSNAINDHUGU-UHFFFAOYSA-N 0 0 338.323 3.373 40 5 EGBBRN C[C@@H](CC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)[N+](C)(C)[O-] ZINC000001655425 452671664 /nfs/dbraw/zinc/67/16/64/452671664.db2.gz FMXNOEMSCSFPHT-KRWDZBQOSA-N 0 0 340.467 3.414 40 5 EGBBRN CC(=O)Nc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000001699669 452675156 /nfs/dbraw/zinc/67/51/56/452675156.db2.gz YAQVVKHKBVKKTI-UHFFFAOYSA-N 0 0 330.340 3.401 40 5 EGBBRN Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000003185738 452747362 /nfs/dbraw/zinc/74/73/62/452747362.db2.gz RYYHIEXFQAWGRX-QPJJXVBHSA-N 0 0 326.308 3.284 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000003385960 452762298 /nfs/dbraw/zinc/76/22/98/452762298.db2.gz XXCDVGLGOOTCJP-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN O=C(CCc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000005582091 452886432 /nfs/dbraw/zinc/88/64/32/452886432.db2.gz XIBHWQMDGGYHMK-UHFFFAOYSA-N 0 0 329.381 3.041 40 5 EGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)n1nnc2cc(Cl)ccc21 ZINC000005648322 452891777 /nfs/dbraw/zinc/89/17/77/452891777.db2.gz JRBQSEUMUJSQOG-UHFFFAOYSA-N 0 0 331.719 3.382 40 5 EGBBRN COC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C ZINC000006455942 452945478 /nfs/dbraw/zinc/94/54/78/452945478.db2.gz CTRXJQGJQPSQKN-MDZDMXLPSA-N 0 0 340.335 3.342 40 5 EGBBRN O=[N+]([O-])c1ccc(OCC2N=NC(=S)N2c2ccccc2)cc1 ZINC000006534210 452950465 /nfs/dbraw/zinc/95/04/65/452950465.db2.gz VKRAKPDEFYBBPE-UHFFFAOYSA-N 0 0 328.353 3.043 40 5 EGBBRN Cc1ccc2[nH]c(Sc3ccc(C(N)=O)cc3[N+](=O)[O-])nc2c1 ZINC000007327843 453059906 /nfs/dbraw/zinc/05/99/06/453059906.db2.gz JZCVDNOOGABGDA-UHFFFAOYSA-N 0 0 328.353 3.030 40 5 EGBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1C(C)C ZINC000013995597 453496254 /nfs/dbraw/zinc/49/62/54/453496254.db2.gz PVLHOIVUUAUOAY-UHFFFAOYSA-N 0 0 349.416 3.060 40 5 EGBBRN O=C(Cc1csc(-c2ccco2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000024371235 453731768 /nfs/dbraw/zinc/73/17/68/453731768.db2.gz SDKCDBXWYUHPNU-UHFFFAOYSA-N 0 0 329.337 3.493 40 5 EGBBRN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000025284063 453763973 /nfs/dbraw/zinc/76/39/73/453763973.db2.gz OTYIXIXTUFOHAR-UHFFFAOYSA-N 0 0 348.362 3.391 40 5 EGBBRN CN(CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000030014727 453833367 /nfs/dbraw/zinc/83/33/67/453833367.db2.gz XFCDVEBSXVAXKW-VAWYXSNFSA-N 0 0 339.395 3.251 40 5 EGBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1O ZINC000039755033 453945817 /nfs/dbraw/zinc/94/58/17/453945817.db2.gz ZOLUPNFPACSTOJ-UHFFFAOYSA-N 0 0 342.336 3.071 40 5 EGBBRN CCCCS[C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000057441081 454128733 /nfs/dbraw/zinc/12/87/33/454128733.db2.gz ZJPNILWSHWZLLG-GFCCVEGCSA-N 0 0 325.434 3.045 40 5 EGBBRN Cc1ocnc1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000095463469 454217312 /nfs/dbraw/zinc/21/73/12/454217312.db2.gz FSVGUVMZSYCOCN-INIZCTEOSA-N 0 0 339.307 3.233 40 5 EGBBRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC000120028514 454249706 /nfs/dbraw/zinc/24/97/06/454249706.db2.gz OACZQRVCCVWQOF-WFASDCNBSA-N 0 0 347.371 3.438 40 5 EGBBRN CCN(CC)c1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)c2ccccc2O1 ZINC000059488785 454260695 /nfs/dbraw/zinc/26/06/95/454260695.db2.gz JWHARNPVAXHRDO-SFHVURJKSA-N 0 0 341.367 3.262 40 5 EGBBRN Cc1[nH]nc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1[N+](=O)[O-] ZINC000096412570 454330336 /nfs/dbraw/zinc/33/03/36/454330336.db2.gz BWVAPQZWNPLXKC-UHFFFAOYSA-N 0 0 332.364 3.040 40 5 EGBBRN O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000096423309 454337568 /nfs/dbraw/zinc/33/75/68/454337568.db2.gz MUTRBBFDCCHJKD-SJORKVTESA-N 0 0 326.352 3.007 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2n[nH]c(CCNc3ccc(F)cc3)n2)cc1 ZINC000062719005 454386378 /nfs/dbraw/zinc/38/63/78/454386378.db2.gz ISHNZTULVLCTNO-UHFFFAOYSA-N 0 0 327.319 3.174 40 5 EGBBRN COc1cc(OC)cc([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)c1 ZINC000081029381 454674683 /nfs/dbraw/zinc/67/46/83/454674683.db2.gz RGHKGPRTAYUYGS-LBPRGKRZSA-N 0 0 329.356 3.001 40 5 EGBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)n1cc(CO)c2ccccc21 ZINC000140916126 454824967 /nfs/dbraw/zinc/82/49/67/454824967.db2.gz LJHIXKITUMKPSG-UHFFFAOYSA-N 0 0 330.727 3.384 40 5 EGBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1ncn(-c2ccccc2)n1 ZINC000408605504 457583401 /nfs/dbraw/zinc/58/34/01/457583401.db2.gz LOOKRMKHUUCWER-UHFFFAOYSA-N 0 0 326.337 3.139 40 5 EGBBRN CCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O ZINC000409231388 457596079 /nfs/dbraw/zinc/59/60/79/457596079.db2.gz CTILJMJOCACXPA-NTEUORMPSA-N 0 0 341.323 3.076 40 5 EGBBRN CCN(c1cccc(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000055663175 214336809 /nfs/dbraw/zinc/33/68/09/214336809.db2.gz ZHUKMMUAGSRROZ-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN CC(C)COc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000055849221 214344045 /nfs/dbraw/zinc/34/40/45/214344045.db2.gz ZQRQLKBRMZCFSE-UHFFFAOYSA-N 0 0 342.395 3.489 40 5 EGBBRN COc1cccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000066436227 215042136 /nfs/dbraw/zinc/04/21/36/215042136.db2.gz OXIRYOLSVADNCM-ZHACJKMWSA-N 0 0 340.379 3.366 40 5 EGBBRN CC(C)NC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003466484 210048020 /nfs/dbraw/zinc/04/80/20/210048020.db2.gz XWJQYPMQQITPPJ-UHFFFAOYSA-N 0 0 345.311 3.434 40 5 EGBBRN Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ccc1[N+](=O)[O-] ZINC000031968829 212775675 /nfs/dbraw/zinc/77/56/75/212775675.db2.gz KETRRPFQQPJZFI-UHFFFAOYSA-N 0 0 336.351 3.400 40 5 EGBBRN CN(C)c1cc(NC(=O)COc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229612 216071029 /nfs/dbraw/zinc/07/10/29/216071029.db2.gz XONFRMSZTBXFND-UHFFFAOYSA-N 0 0 349.774 3.332 40 5 EGBBRN Cc1cc(C)cc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000022480044 212300904 /nfs/dbraw/zinc/30/09/04/212300904.db2.gz JNKMHPCCJMYHCN-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN CN(Cc1ccccc1F)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225989568 242082976 /nfs/dbraw/zinc/08/29/76/242082976.db2.gz JHUOJQHTEDYYDM-UHFFFAOYSA-N 0 0 328.343 3.424 40 5 EGBBRN CCOC(=O)[C@H]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226755506 242115857 /nfs/dbraw/zinc/11/58/57/242115857.db2.gz BAPCLFQECSNSQY-NSHDSACASA-N 0 0 326.780 3.336 40 5 EGBBRN O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc3cccnc32)ccc1F ZINC000226862778 242117987 /nfs/dbraw/zinc/11/79/87/242117987.db2.gz UOGVYPHOBKZAFT-UHFFFAOYSA-N 0 0 348.311 3.050 40 5 EGBBRN O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020496234 212140728 /nfs/dbraw/zinc/14/07/28/212140728.db2.gz QDYNHLUWHAHNRV-ZHACJKMWSA-N 0 0 336.307 3.297 40 5 EGBBRN Cc1cccnc1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000079358082 217214880 /nfs/dbraw/zinc/21/48/80/217214880.db2.gz ZDOVPKNETWQFJK-QGZVFWFLSA-N 0 0 327.384 3.354 40 5 EGBBRN COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)n3ncnc3n2)cc1 ZINC000013637416 211595117 /nfs/dbraw/zinc/59/51/17/211595117.db2.gz UHIYRLNMPCXRHW-UHFFFAOYSA-N 0 0 347.334 3.375 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235369 274998974 /nfs/dbraw/zinc/99/89/74/274998974.db2.gz OEGFEABZFGFWLR-UHFFFAOYSA-N 0 0 349.346 3.108 40 5 EGBBRN Cc1cc([C@@](C)(O)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000096433735 280648580 /nfs/dbraw/zinc/64/85/80/280648580.db2.gz UKWPSRVRPPHVCM-KRWDZBQOSA-N 0 0 347.371 3.142 40 5 EGBBRN Cc1sc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000024443894 294070158 /nfs/dbraw/zinc/07/01/58/294070158.db2.gz IHCMMVGHYPCZAO-OAHLLOKOSA-N 0 0 345.424 3.094 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000003502533 452773804 /nfs/dbraw/zinc/77/38/04/452773804.db2.gz IVBKCSAJOGVBQU-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN CCC(=O)Nc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000006309294 452933519 /nfs/dbraw/zinc/93/35/19/452933519.db2.gz ZXVBCBAMUHTUBF-UHFFFAOYSA-N 0 0 328.324 3.300 40 5 EGBBRN CCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000006880028 453002406 /nfs/dbraw/zinc/00/24/06/453002406.db2.gz XRSIMAREWXOQGF-UHFFFAOYSA-N 0 0 341.367 3.295 40 5 EGBBRN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000007306069 453057243 /nfs/dbraw/zinc/05/72/43/453057243.db2.gz NMIPITMFRPHMEZ-GFCCVEGCSA-N 0 0 332.381 3.043 40 5 EGBBRN CC(C)c1cccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000007735870 453107701 /nfs/dbraw/zinc/10/77/01/453107701.db2.gz WMCIVLWMKPNEKK-UHFFFAOYSA-N 0 0 335.385 3.109 40 5 EGBBRN O=C(CCc1nc(-c2cccs2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000007943110 453136968 /nfs/dbraw/zinc/13/69/68/453136968.db2.gz DWGCDUBCJUYVNI-UHFFFAOYSA-N 0 0 344.352 3.278 40 5 EGBBRN COc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000013790241 453487976 /nfs/dbraw/zinc/48/79/76/453487976.db2.gz LWGGIDRISFZNBF-UHFFFAOYSA-N 0 0 333.369 3.421 40 5 EGBBRN O=C(c1ccc(Br)cc1)n1ncc2cc([N+](=O)[O-])ccc21 ZINC000016401148 453604625 /nfs/dbraw/zinc/60/46/25/453604625.db2.gz CLMBRIVNVORRRR-UHFFFAOYSA-N 0 0 346.140 3.396 40 5 EGBBRN O=C(Nc1ccccc1[N+](=O)[O-])N1C(=O)CSc2ccccc21 ZINC000028527536 453823785 /nfs/dbraw/zinc/82/37/85/453823785.db2.gz NPZJOEXBYHMLBC-UHFFFAOYSA-N 0 0 329.337 3.266 40 5 EGBBRN C/C(=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000033624632 453916614 /nfs/dbraw/zinc/91/66/14/453916614.db2.gz ICEUIZLXQXKRRR-DHZHZOJOSA-N 0 0 327.292 3.272 40 5 EGBBRN CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000039005546 453942443 /nfs/dbraw/zinc/94/24/43/453942443.db2.gz KZLXPJOXFDQDMO-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccn1 ZINC000041005266 453955516 /nfs/dbraw/zinc/95/55/16/453955516.db2.gz JHYZJJARXVPELX-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN CC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000067949455 453983098 /nfs/dbraw/zinc/98/30/98/453983098.db2.gz FMMKZMHIOAAISP-UHFFFAOYSA-N 0 0 339.395 3.120 40 5 EGBBRN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000045382844 454156136 /nfs/dbraw/zinc/15/61/36/454156136.db2.gz YZKXARIQVHCERQ-GFCCVEGCSA-N 0 0 344.367 3.411 40 5 EGBBRN CCc1ccc([C@@H](COC)NC(=O)c2cc(F)ccc2[N+](=O)[O-])o1 ZINC000096423275 454337583 /nfs/dbraw/zinc/33/75/83/454337583.db2.gz DEEBAZQGZVPNIR-CYBMUJFWSA-N 0 0 336.319 3.007 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000096432875 454343137 /nfs/dbraw/zinc/34/31/37/454343137.db2.gz FGKXYMSWHKHTLX-CRAIPNDOSA-N 0 0 340.379 3.323 40 5 EGBBRN O=C1CCCN1c1ccc(NCc2ccccc2[N+](=O)[O-])cc1F ZINC000096446941 454353975 /nfs/dbraw/zinc/35/39/75/454353975.db2.gz OJFDZEMAYQSZBW-UHFFFAOYSA-N 0 0 329.331 3.473 40 5 EGBBRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000253392655 455838040 /nfs/dbraw/zinc/83/80/40/455838040.db2.gz IJRMMGFEZVHXGX-UHFFFAOYSA-N 0 0 338.285 3.327 40 5 EGBBRN Cc1c(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cccc1[N+](=O)[O-] ZINC000225019708 456071791 /nfs/dbraw/zinc/07/17/91/456071791.db2.gz OLFLTEXUFCCPRO-UHFFFAOYSA-N 0 0 343.364 3.069 40 5 EGBBRN O=C(c1ccc2nc3ccccc3nc2c1)N(CCO)c1ccccc1 ZINC000408975247 457590063 /nfs/dbraw/zinc/59/00/63/457590063.db2.gz LDWVRKPFAIXVLB-UHFFFAOYSA-N 0 0 343.386 3.422 40 5 EGBBRN C[C@@H](O)CN(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000360925968 525779373 /nfs/dbraw/zinc/77/93/73/525779373.db2.gz RSDKAFQFAKIBSN-GFCCVEGCSA-N 0 0 346.408 3.199 40 5 EGBBRN CS(=O)(=O)c1ccc(Oc2ccc3ncccc3c2)c([N+](=O)[O-])c1 ZINC000072043838 546570275 /nfs/dbraw/zinc/57/02/75/546570275.db2.gz KFXKPSMNLODKAW-UHFFFAOYSA-N 0 0 344.348 3.339 40 5 EGBBRN CC1(C)C[C@H](Nc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)N1O ZINC000167107576 1294365611 /nfs/dbraw/zinc/36/56/11/1294365611.db2.gz WYXCUKFSEWVLKA-LBPRGKRZSA-N 0 0 341.319 3.031 40 5 EGBBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1F ZINC000226863035 1424787714 /nfs/dbraw/zinc/78/77/14/1424787714.db2.gz FJVUITPYZGDKMO-UHFFFAOYSA-N 0 0 330.724 3.188 40 5 EGBBRN COc1ccc(C(=O)OCCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000003441965 210040971 /nfs/dbraw/zinc/04/09/71/210040971.db2.gz LLJPORGFCJIGGG-UHFFFAOYSA-N 0 0 331.324 3.148 40 5 EGBBRN Nc1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000025454624 212482588 /nfs/dbraw/zinc/48/25/88/212482588.db2.gz FNYGKZMCJWNAIG-UHFFFAOYSA-N 0 0 345.336 3.251 40 5 EGBBRN Nc1nnc(/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000216894340 241218405 /nfs/dbraw/zinc/21/84/05/241218405.db2.gz PAJZHFHVTXUZBJ-BJMVGYQFSA-N 0 0 338.323 3.309 40 5 EGBBRN CCOc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000217861528 241278563 /nfs/dbraw/zinc/27/85/63/241278563.db2.gz SSMKLLJCULENCY-UHFFFAOYSA-N 0 0 328.368 3.356 40 5 EGBBRN Cc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000225071062 241792574 /nfs/dbraw/zinc/79/25/74/241792574.db2.gz XROOOWMQHDAOJS-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN CC(=O)Nc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000225991774 242083882 /nfs/dbraw/zinc/08/38/82/242083882.db2.gz QPFQNMORAKDKCZ-UHFFFAOYSA-N 0 0 339.351 3.224 40 5 EGBBRN O=C(NCC1(Sc2ccccc2)CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000225775898 242031280 /nfs/dbraw/zinc/03/12/80/242031280.db2.gz JMLUKRNYIWFSEO-UHFFFAOYSA-N 0 0 346.412 3.153 40 5 EGBBRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000018204158 211990239 /nfs/dbraw/zinc/99/02/39/211990239.db2.gz VOEHVBNGPNQRAJ-GFCCVEGCSA-N 0 0 344.367 3.411 40 5 EGBBRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccn1 ZINC000095449099 218393252 /nfs/dbraw/zinc/39/32/52/218393252.db2.gz MXWTWSYGAFGONM-UHFFFAOYSA-N 0 0 331.397 3.374 40 5 EGBBRN Cc1sc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000096470749 218849304 /nfs/dbraw/zinc/84/93/04/218849304.db2.gz HRYLZXGFVDAWBT-KRWDZBQOSA-N 0 0 346.408 3.353 40 5 EGBBRN CN(C(=O)Cc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000118197372 221131088 /nfs/dbraw/zinc/13/10/88/221131088.db2.gz ZNHJGVLFGXUKAD-UHFFFAOYSA-N 0 0 336.294 3.402 40 5 EGBBRN Cn1c2ccccc2nc1SC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000408664330 257893536 /nfs/dbraw/zinc/89/35/36/257893536.db2.gz SQOYRVWNDVUIFV-UHFFFAOYSA-N 0 0 327.365 3.343 40 5 EGBBRN CC1(C)CN1P(=O)(Oc1ccc([N+](=O)[O-])cc1)N1CC1(C)C ZINC000001735188 278347773 /nfs/dbraw/zinc/34/77/73/278347773.db2.gz UBZWEUKYFOFHMM-UHFFFAOYSA-N 0 0 325.305 3.270 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(N2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000240471652 278863878 /nfs/dbraw/zinc/86/38/78/278863878.db2.gz GDMFATKWOGYUAM-UHFFFAOYSA-N 0 0 345.424 3.364 40 5 EGBBRN CCOP(=O)(OCC)C(F)(F)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000306145518 456568969 /nfs/dbraw/zinc/56/89/69/456568969.db2.gz HKNAHVOOPBWKSF-LLVKDONJSA-N 0 0 339.231 3.487 40 5 EGBBRN COc1ccc([C@@H](C)N(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000242182 452545310 /nfs/dbraw/zinc/54/53/10/452545310.db2.gz WEELNCJXFZIVMY-GFCCVEGCSA-N 0 0 344.367 3.445 40 5 EGBBRN O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000524269 452613100 /nfs/dbraw/zinc/61/31/00/452613100.db2.gz MDKPNBHMHYMUMP-UHFFFAOYSA-N 0 0 330.724 3.188 40 5 EGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1 ZINC000001473155 452666833 /nfs/dbraw/zinc/66/68/33/452666833.db2.gz UCGWOJFWMOEGTK-UHFFFAOYSA-N 0 0 338.266 3.214 40 5 EGBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl ZINC000001993698 452683386 /nfs/dbraw/zinc/68/33/86/452683386.db2.gz RKTRDUOPKYBXFV-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN COC(=O)c1cccc(C)c1Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000003200702 452747784 /nfs/dbraw/zinc/74/77/84/452747784.db2.gz TXBPEUXTHJGNRQ-UHFFFAOYSA-N 0 0 332.268 3.390 40 5 EGBBRN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000005112233 452837761 /nfs/dbraw/zinc/83/77/61/452837761.db2.gz VVVILKKEJKTGTE-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN CC(=O)Nc1cc([N+](=O)[O-])ccc1C[C@H](O)c1ccccc1Cl ZINC000005431564 452871636 /nfs/dbraw/zinc/87/16/36/452871636.db2.gz SWUJHTDRUKTWFU-INIZCTEOSA-N 0 0 334.759 3.483 40 5 EGBBRN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005981093 452913897 /nfs/dbraw/zinc/91/38/97/452913897.db2.gz HBCGPJBCNFYVQX-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006235725 452927303 /nfs/dbraw/zinc/92/73/03/452927303.db2.gz DMKYTQTZVNZXQZ-UHFFFAOYSA-N 0 0 337.335 3.309 40 5 EGBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000006361988 452939590 /nfs/dbraw/zinc/93/95/90/452939590.db2.gz PMPVFDCXPLZNDR-UHFFFAOYSA-N 0 0 336.369 3.103 40 5 EGBBRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)cc1 ZINC000013670392 453479569 /nfs/dbraw/zinc/47/95/69/453479569.db2.gz SHWFXYSNNXRQQH-UHFFFAOYSA-N 0 0 325.368 3.472 40 5 EGBBRN CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000014219712 453521309 /nfs/dbraw/zinc/52/13/09/453521309.db2.gz TVCYKXMDTBSGJA-CQSZACIVSA-N 0 0 334.397 3.333 40 5 EGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2ccccc21 ZINC000016442683 453607243 /nfs/dbraw/zinc/60/72/43/453607243.db2.gz PMYFILLWCXPUFU-UHFFFAOYSA-N 0 0 325.368 3.295 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000018611038 453651436 /nfs/dbraw/zinc/65/14/36/453651436.db2.gz YYHBLAUBPOSZJF-UHFFFAOYSA-N 0 0 346.314 3.146 40 5 EGBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000020496185 453665991 /nfs/dbraw/zinc/66/59/91/453665991.db2.gz XTBVGBBYPAXPRH-UHFFFAOYSA-N 0 0 328.259 3.036 40 5 EGBBRN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000026508773 453801876 /nfs/dbraw/zinc/80/18/76/453801876.db2.gz KHGLRXMHMFKTNQ-JTQLQIEISA-N 0 0 337.332 3.059 40 5 EGBBRN Cc1c(CNc2ccccc2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000096427476 454340206 /nfs/dbraw/zinc/34/02/06/454340206.db2.gz WTYNYHWZHZITEJ-UHFFFAOYSA-N 0 0 334.397 3.060 40 5 EGBBRN CC(C)c1nnc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000096461593 454359499 /nfs/dbraw/zinc/35/94/99/454359499.db2.gz XNJYUZJHHNGZAR-UHFFFAOYSA-N 0 0 340.792 3.153 40 5 EGBBRN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000096496778 454370944 /nfs/dbraw/zinc/37/09/44/454370944.db2.gz GJMNSJZNACZMKK-MRVPVSSYSA-N 0 0 328.250 3.010 40 5 EGBBRN O=C(CCCOc1cccnc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000080391321 454574670 /nfs/dbraw/zinc/57/46/70/454574670.db2.gz YZODBIQCBOIILI-UHFFFAOYSA-N 0 0 341.367 3.128 40 5 EGBBRN Cc1ccc(C[C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000191728768 455514831 /nfs/dbraw/zinc/51/48/31/455514831.db2.gz PMUHUQJELKTWJD-ZDUSSCGKSA-N 0 0 327.384 3.189 40 5 EGBBRN Cc1csc(NC2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)n1 ZINC000253423770 455844408 /nfs/dbraw/zinc/84/44/08/455844408.db2.gz BKOBPVNYFBYOIU-UHFFFAOYSA-N 0 0 333.417 3.144 40 5 EGBBRN COc1cccc(C(=O)Nc2ccn(CCC(C)C)n2)c1[N+](=O)[O-] ZINC000194713431 455875395 /nfs/dbraw/zinc/87/53/95/455875395.db2.gz DHOXEXGGLSXRFA-UHFFFAOYSA-N 0 0 332.360 3.098 40 5 EGBBRN C[C@]1(CCc2ccccc2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225349003 456077893 /nfs/dbraw/zinc/07/78/93/456077893.db2.gz IBQGXZXJRJPNGI-KRWDZBQOSA-N 0 0 342.424 3.143 40 5 EGBBRN O=Cc1cn(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc12 ZINC000408600194 457583448 /nfs/dbraw/zinc/58/34/48/457583448.db2.gz WRRHMGVNGCNEIP-UHFFFAOYSA-N 0 0 341.298 3.140 40 5 EGBBRN COC(=O)CCCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058131831 214480846 /nfs/dbraw/zinc/48/08/46/214480846.db2.gz UBECEJDHHULACA-UHFFFAOYSA-N 0 0 343.767 3.103 40 5 EGBBRN Cc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N ZINC000000523151 209645901 /nfs/dbraw/zinc/64/59/01/209645901.db2.gz VVCCKVGMYVSEAS-UHFFFAOYSA-N 0 0 341.396 3.168 40 5 EGBBRN COc1ccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000217893689 241281360 /nfs/dbraw/zinc/28/13/60/241281360.db2.gz QMCCZNKWCIFVBE-MDWZMJQESA-N 0 0 340.379 3.366 40 5 EGBBRN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000075536279 216633053 /nfs/dbraw/zinc/63/30/53/216633053.db2.gz PYKXZXIJFNHUKY-CQSZACIVSA-N 0 0 331.376 3.218 40 5 EGBBRN CC(=O)Nc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000225991374 242084179 /nfs/dbraw/zinc/08/41/79/242084179.db2.gz ZSJRZRNRIJFPCN-UHFFFAOYSA-N 0 0 339.351 3.224 40 5 EGBBRN Cc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000020458116 212133233 /nfs/dbraw/zinc/13/32/33/212133233.db2.gz UOUDKIDQVDZURT-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000008980963 211025895 /nfs/dbraw/zinc/02/58/95/211025895.db2.gz KNVCGBYDLKGDMQ-UHFFFAOYSA-N 0 0 339.351 3.083 40 5 EGBBRN O=C([C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCCC1 ZINC000008291127 210926887 /nfs/dbraw/zinc/92/68/87/210926887.db2.gz JDIFFTQRKIIPMX-KRWDZBQOSA-N 0 0 326.352 3.337 40 5 EGBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ncccn1 ZINC000005949434 285085346 /nfs/dbraw/zinc/08/53/46/285085346.db2.gz GJQNSYQXPASPDY-UHFFFAOYSA-N 0 0 346.246 3.463 40 5 EGBBRN COc1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408723803 257890629 /nfs/dbraw/zinc/89/06/29/257890629.db2.gz OTAYHPRZJKUIDJ-UHFFFAOYSA-N 0 0 332.381 3.475 40 5 EGBBRN C[C@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000055681788 132196573 /nfs/dbraw/zinc/19/65/73/132196573.db2.gz VBRXABXYDNIKKL-RYUDHWBXSA-N 0 0 345.355 3.054 40 5 EGBBRN O=[N+]([O-])c1ccccc1CNCc1ccc(N2CCCCC2)nc1 ZINC000078394107 132816668 /nfs/dbraw/zinc/81/66/68/132816668.db2.gz LMIKCAKBWZQDCO-UHFFFAOYSA-N 0 0 326.400 3.270 40 5 EGBBRN COc1cc2ccn3cc4cc(OC)c(=O)cc-4cc3c2cc1OC ZINC000001871667 286261631 /nfs/dbraw/zinc/26/16/31/286261631.db2.gz PZDNJXFQCDKSOL-UHFFFAOYSA-O 0 0 336.367 3.463 40 5 EGBBRN Cn1c2ccccc2c2nn3c(nnc3-c3ccccc3Cl)nc21 ZINC000261363302 274889303 /nfs/dbraw/zinc/88/93/03/274889303.db2.gz GQNAHEDZOBZYQL-UHFFFAOYSA-N 0 0 334.770 3.485 40 5 EGBBRN CCOC(=O)c1cnc2c(C)cc([N+](=O)[O-])cc2c1Br ZINC000085386549 276301820 /nfs/dbraw/zinc/30/18/20/276301820.db2.gz MWVRVFZYSOSYAP-UHFFFAOYSA-N 0 0 339.145 3.391 40 5 EGBBRN COc1ccccc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000000149709 452523591 /nfs/dbraw/zinc/52/35/91/452523591.db2.gz IPYQRGSDTAPLEW-JXMROGBWSA-N 0 0 328.324 3.264 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000000313405 452562613 /nfs/dbraw/zinc/56/26/13/452562613.db2.gz ZIYWDHNFTQTFKV-AWEZNQCLSA-N 0 0 349.387 3.241 40 5 EGBBRN Cc1ccccc1CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001705406 452673892 /nfs/dbraw/zinc/67/38/92/452673892.db2.gz ODXFOSVXDPORLQ-UHFFFAOYSA-N 0 0 330.296 3.211 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1Cl ZINC000006314889 452933004 /nfs/dbraw/zinc/93/30/04/452933004.db2.gz ILRXZUHUYGNSPY-UHFFFAOYSA-N 0 0 340.788 3.035 40 5 EGBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006922035 453008789 /nfs/dbraw/zinc/00/87/89/453008789.db2.gz YKIGDWSWXFBWOT-UHFFFAOYSA-N 0 0 344.751 3.497 40 5 EGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1 ZINC000007093597 453032224 /nfs/dbraw/zinc/03/22/24/453032224.db2.gz ZRZVBUPLUYUKCK-UHFFFAOYSA-N 0 0 348.399 3.326 40 5 EGBBRN COc1ccc(NC(=O)COc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000009141575 453243867 /nfs/dbraw/zinc/24/38/67/453243867.db2.gz MIIGVISAWQLEKC-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN COc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000010542245 453295222 /nfs/dbraw/zinc/29/52/22/453295222.db2.gz YVHDTRRGCACKHS-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013670880 453480249 /nfs/dbraw/zinc/48/02/49/453480249.db2.gz IQUNBRJDNALALZ-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000013674685 453480461 /nfs/dbraw/zinc/48/04/61/453480461.db2.gz RCZIYUNTEDFBMD-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000020529049 453666534 /nfs/dbraw/zinc/66/65/34/453666534.db2.gz XOMCXORCHPULIF-BQYQJAHWSA-N 0 0 343.295 3.164 40 5 EGBBRN Cc1nn(C)c(NCc2coc(-c3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000075065477 453857624 /nfs/dbraw/zinc/85/76/24/453857624.db2.gz XBABPFWQHABMAQ-UHFFFAOYSA-N 0 0 327.344 3.212 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000088252425 454096381 /nfs/dbraw/zinc/09/63/81/454096381.db2.gz XDTLDEIQTCNTFJ-UHFFFAOYSA-N 0 0 340.314 3.480 40 5 EGBBRN Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000071977546 454263934 /nfs/dbraw/zinc/26/39/34/454263934.db2.gz MSQOAKNVWNQUOW-UHFFFAOYSA-N 0 0 337.295 3.209 40 5 EGBBRN CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000096415256 454331477 /nfs/dbraw/zinc/33/14/77/454331477.db2.gz FSMIUULNNOXLCO-MRXNPFEDSA-N 0 0 328.372 3.283 40 5 EGBBRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000078889583 454333310 /nfs/dbraw/zinc/33/33/10/454333310.db2.gz BPWGYRKQICRZEL-UHFFFAOYSA-N 0 0 348.668 3.102 40 5 EGBBRN CCc1ccc([C@H](COC)NC(=O)c2cc(F)ccc2[N+](=O)[O-])o1 ZINC000096423276 454337565 /nfs/dbraw/zinc/33/75/65/454337565.db2.gz DEEBAZQGZVPNIR-ZDUSSCGKSA-N 0 0 336.319 3.007 40 5 EGBBRN O=c1c2ccccc2n(Cc2nc([C@H]3CCOC3)no2)c2ccccc12 ZINC000096462696 454359511 /nfs/dbraw/zinc/35/95/11/454359511.db2.gz FIJZXLWHWCMPMJ-ZDUSSCGKSA-N 0 0 347.374 3.090 40 5 EGBBRN Cc1nc(SCc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000073639581 454462521 /nfs/dbraw/zinc/46/25/21/454462521.db2.gz ZFRPWHIPUUXESZ-UHFFFAOYSA-N 0 0 329.179 3.076 40 5 EGBBRN CCn1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000079719580 454469028 /nfs/dbraw/zinc/46/90/28/454469028.db2.gz IDDBECRYYSUQMC-UHFFFAOYSA-N 0 0 341.274 3.057 40 5 EGBBRN CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194657882 455870198 /nfs/dbraw/zinc/87/01/98/455870198.db2.gz SLFZAOTVDKZEPU-UHFFFAOYSA-N 0 0 344.751 3.212 40 5 EGBBRN CCc1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000223376772 456056418 /nfs/dbraw/zinc/05/64/18/456056418.db2.gz KZFJCBLYDLLTOQ-DHZHZOJOSA-N 0 0 340.379 3.366 40 5 EGBBRN CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccs1 ZINC000225137147 456073761 /nfs/dbraw/zinc/07/37/61/456073761.db2.gz LRIPFVZOSVAWHP-UHFFFAOYSA-N 0 0 326.399 3.180 40 5 EGBBRN O=[N+]([O-])c1c(F)cccc1N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000153982129 534878884 /nfs/dbraw/zinc/87/88/84/534878884.db2.gz XJYLHKLBDOZGLN-WMLDXEAASA-N 0 0 346.358 3.063 40 5 EGBBRN O=[N+]([O-])c1cc(I)c2nc(Cl)ccc2c1 ZINC000685937241 550456366 /nfs/dbraw/zinc/45/63/66/550456366.db2.gz CZSRPUYFQKFQKR-UHFFFAOYSA-N 0 0 334.500 3.401 40 5 EGBBRN C[C@@H](NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000199421892 1296088836 /nfs/dbraw/zinc/08/88/36/1296088836.db2.gz GFTHEMHJUQJXFR-CYBMUJFWSA-N 0 0 341.367 3.191 40 5 EGBBRN Cc1cc(C)c(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000226862801 1424787926 /nfs/dbraw/zinc/78/79/26/1424787926.db2.gz VEQILJYZXAFHND-UHFFFAOYSA-N 0 0 338.360 3.460 40 5 EGBBRN CN(C)c1ccc(CCCNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000052609310 214136692 /nfs/dbraw/zinc/13/66/92/214136692.db2.gz KLTMMAWXZHYZMU-UHFFFAOYSA-N 0 0 333.413 3.085 40 5 EGBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@H](c1ccccc1O)C3O ZINC000104240512 219363946 /nfs/dbraw/zinc/36/39/46/219363946.db2.gz RICVAEYERHHTIB-OAHLLOKOSA-N 0 0 325.280 3.297 40 5 EGBBRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000253392836 282859961 /nfs/dbraw/zinc/85/99/61/282859961.db2.gz HXPUNOPMXNYKEJ-OLZOCXBDSA-N 0 0 345.790 3.201 40 5 EGBBRN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040117589 213267890 /nfs/dbraw/zinc/26/78/90/213267890.db2.gz QYZDOQQZOSXXLO-UHFFFAOYSA-N 0 0 342.355 3.377 40 5 EGBBRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036620800 213104927 /nfs/dbraw/zinc/10/49/27/213104927.db2.gz GKQCARSQSSLMNX-KRWDZBQOSA-N 0 0 346.408 3.429 40 5 EGBBRN CC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000072527420 216269493 /nfs/dbraw/zinc/26/94/93/216269493.db2.gz DXVRWKFITRAZBU-AWEZNQCLSA-N 0 0 330.388 3.135 40 5 EGBBRN Cc1csc(C(C)(C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000072663196 216289567 /nfs/dbraw/zinc/28/95/67/216289567.db2.gz XTSSGNDRZXUZHE-UHFFFAOYSA-N 0 0 348.428 3.132 40 5 EGBBRN CC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000073363463 216381439 /nfs/dbraw/zinc/38/14/39/216381439.db2.gz DCXBTWIQGXVQKG-UHFFFAOYSA-N 0 0 327.340 3.138 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C)c2ccccc2c1=O ZINC000022234236 212283674 /nfs/dbraw/zinc/28/36/74/212283674.db2.gz DVLIQKDZVYBROF-UHFFFAOYSA-N 0 0 337.335 3.007 40 5 EGBBRN Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000021904450 212262134 /nfs/dbraw/zinc/26/21/34/212262134.db2.gz YWHQZCQFZUGDQE-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1Cl ZINC000225072140 241792762 /nfs/dbraw/zinc/79/27/62/241792762.db2.gz NRZIVYWYFFRYOE-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CCCO[C@H]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000078671054 217099123 /nfs/dbraw/zinc/09/91/23/217099123.db2.gz PJAYWIZFMZVMSM-ZDUSSCGKSA-N 0 0 336.388 3.025 40 5 EGBBRN O=[N+]([O-])c1cnccc1NCc1cccc(COC2CCOCC2)c1 ZINC000078882814 217139559 /nfs/dbraw/zinc/13/95/59/217139559.db2.gz BVNSXWFFWATNJL-UHFFFAOYSA-N 0 0 343.383 3.298 40 5 EGBBRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000014900693 211772116 /nfs/dbraw/zinc/77/21/16/211772116.db2.gz ZTVNYTJDNSBQPY-CQSZACIVSA-N 0 0 341.367 3.037 40 5 EGBBRN Nc1ccc(NC(=S)NCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000007368173 210788616 /nfs/dbraw/zinc/78/86/16/210788616.db2.gz VHHZKZOMWZSPJI-UHFFFAOYSA-N 0 0 348.453 3.256 40 5 EGBBRN CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000007168336 210764765 /nfs/dbraw/zinc/76/47/65/210764765.db2.gz OHURKHPSTWLKGR-VXGBXAGGSA-N 0 0 332.360 3.168 40 5 EGBBRN O=C(NCc1ccccc1OCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000096416749 218777220 /nfs/dbraw/zinc/77/72/20/218777220.db2.gz AKKRNGQWBUUQAB-UHFFFAOYSA-N 0 0 326.352 3.314 40 5 EGBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc21 ZINC000018044500 285011946 /nfs/dbraw/zinc/01/19/46/285011946.db2.gz HEIBYCPYZHPPQW-YNHQPCIGSA-N 0 0 334.331 3.060 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005547271 210486852 /nfs/dbraw/zinc/48/68/52/210486852.db2.gz FSDSCWNPTNDKNU-SOFGYWHQSA-N 0 0 327.296 3.463 40 5 EGBBRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000408526866 257898525 /nfs/dbraw/zinc/89/85/25/257898525.db2.gz BWPDAMLGAFIFNY-UHFFFAOYSA-N 0 0 339.282 3.410 40 5 EGBBRN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000005092067 278657000 /nfs/dbraw/zinc/65/70/00/278657000.db2.gz LMIFUFWMTSZROH-PRRDBKRISA-N 0 0 338.363 3.161 40 5 EGBBRN Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=S)N(C)C)c1[N+](=O)[O-] ZINC000001737237 280259178 /nfs/dbraw/zinc/25/91/78/280259178.db2.gz CYRJLYRPEUQCJT-UHFFFAOYSA-N 0 0 341.389 3.334 40 5 EGBBRN CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2ncon2)cc1[N+](=O)[O-] ZINC000187752151 280592503 /nfs/dbraw/zinc/59/25/03/280592503.db2.gz KMIMSBLWYHIXDR-CQSZACIVSA-N 0 0 344.371 3.469 40 5 EGBBRN CCc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3nncn3C)C2)cc1Cl ZINC000252509140 288526330 /nfs/dbraw/zinc/52/63/30/288526330.db2.gz YCZPARGUWNBUHI-GFCCVEGCSA-N 0 0 349.822 3.323 40 5 EGBBRN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036620375 292693036 /nfs/dbraw/zinc/69/30/36/292693036.db2.gz DYKJXIIJOLEYQL-QGZVFWFLSA-N 0 0 346.408 3.429 40 5 EGBBRN COc1cccc(=O)c2c(C)n(-c3cccc([N+](=O)[O-])c3)c(C)c21 ZINC000001772173 452676664 /nfs/dbraw/zinc/67/66/64/452676664.db2.gz QSTBYOVTDDNRQS-UHFFFAOYSA-O 0 0 325.344 3.307 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000003507439 452773478 /nfs/dbraw/zinc/77/34/78/452773478.db2.gz SQULFTTYDXRWMW-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN Cc1cc(C)cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000003502600 452774289 /nfs/dbraw/zinc/77/42/89/452774289.db2.gz LDMFTSLSBJFNPB-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN CCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000005250096 452851756 /nfs/dbraw/zinc/85/17/56/452851756.db2.gz KSIULPFBGLMSNR-SNVBAGLBSA-N 0 0 340.594 3.229 40 5 EGBBRN O=C(Nc1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005395000 452866624 /nfs/dbraw/zinc/86/66/24/452866624.db2.gz PMZQKPSTRWTTAN-UHFFFAOYSA-N 0 0 344.346 3.088 40 5 EGBBRN Cc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000005579613 452886964 /nfs/dbraw/zinc/88/69/64/452886964.db2.gz LMDDYZYQAPUIKO-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN COc1ccccc1CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005638170 452891091 /nfs/dbraw/zinc/89/10/91/452891091.db2.gz KYUMYNAKICGEFO-ZHACJKMWSA-N 0 0 326.352 3.275 40 5 EGBBRN COc1ccccc1[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000006309479 452932379 /nfs/dbraw/zinc/93/23/79/452932379.db2.gz IYUVRMCSEGYHMI-NHAQELONSA-N 0 0 326.352 3.494 40 5 EGBBRN COc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000011611248 453327153 /nfs/dbraw/zinc/32/71/53/453327153.db2.gz ZNBQIFVAMNDBMS-LBPRGKRZSA-N 0 0 330.340 3.318 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1OC ZINC000014006498 453497412 /nfs/dbraw/zinc/49/74/12/453497412.db2.gz VSDYVESVCYWPSJ-NSHDSACASA-N 0 0 346.339 3.018 40 5 EGBBRN COc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1[N+](=O)[O-] ZINC000015217136 453562344 /nfs/dbraw/zinc/56/23/44/453562344.db2.gz ZRVOMKJCBMTACI-JYRVWZFOSA-N 0 0 342.282 3.087 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000019159849 453654470 /nfs/dbraw/zinc/65/44/70/453654470.db2.gz UNGSBWZDJLBZHS-SNVBAGLBSA-N 0 0 334.303 3.149 40 5 EGBBRN Cc1cccc(C(=O)Nc2cccc(Cn3ccnc3)c2)c1[N+](=O)[O-] ZINC000025177540 453760831 /nfs/dbraw/zinc/76/08/31/453760831.db2.gz CLRUQOTWNHKCGF-UHFFFAOYSA-N 0 0 336.351 3.400 40 5 EGBBRN CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026346183 453797727 /nfs/dbraw/zinc/79/77/27/453797727.db2.gz MRRXXFADMFMPSM-UHFFFAOYSA-N 0 0 333.775 3.319 40 5 EGBBRN CCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1OC ZINC000085384514 454024996 /nfs/dbraw/zinc/02/49/96/454024996.db2.gz UWEHUMXMATXSMO-UHFFFAOYSA-N 0 0 340.339 3.454 40 5 EGBBRN CC(C)OC(=O)c1cc(Cl)c(Sc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000070462498 454169521 /nfs/dbraw/zinc/16/95/21/454169521.db2.gz GUODQXGQBYCZGW-UHFFFAOYSA-N 0 0 342.764 3.083 40 5 EGBBRN N[C@@H](c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000095533948 454230852 /nfs/dbraw/zinc/23/08/52/454230852.db2.gz JFLMZJKZYCEIBS-CYBMUJFWSA-N 0 0 329.747 3.081 40 5 EGBBRN CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000078340593 454235161 /nfs/dbraw/zinc/23/51/61/454235161.db2.gz VKSIDBXQLIREMN-UHFFFAOYSA-N 0 0 331.347 3.090 40 5 EGBBRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000096402862 454322057 /nfs/dbraw/zinc/32/20/57/454322057.db2.gz PWRJXTWCILNJEJ-LLVKDONJSA-N 0 0 346.412 3.060 40 5 EGBBRN O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000096423311 454337492 /nfs/dbraw/zinc/33/74/92/454337492.db2.gz MUTRBBFDCCHJKD-IAGOWNOFSA-N 0 0 326.352 3.007 40 5 EGBBRN O=[N+]([O-])c1cccc(-c2n[nH]c(CCNc3cccc(F)c3)n2)c1 ZINC000062719131 454385754 /nfs/dbraw/zinc/38/57/54/454385754.db2.gz UGJRSQSPVVCJBR-UHFFFAOYSA-N 0 0 327.319 3.174 40 5 EGBBRN CC(C)n1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000179909104 455097240 /nfs/dbraw/zinc/09/72/40/455097240.db2.gz FUTBRQBOABICHG-UHFFFAOYSA-N 0 0 344.415 3.416 40 5 EGBBRN CCc1ccccc1N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224766651 456069465 /nfs/dbraw/zinc/06/94/65/456069465.db2.gz PEPCULONBIBBSK-UHFFFAOYSA-N 0 0 334.397 3.291 40 5 EGBBRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224996993 456070603 /nfs/dbraw/zinc/07/06/03/456070603.db2.gz IMQPVLRRRSZZMY-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CCc1ccccc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225071423 456072841 /nfs/dbraw/zinc/07/28/41/456072841.db2.gz GOPPHICZVQHWDV-UHFFFAOYSA-N 0 0 334.397 3.291 40 5 EGBBRN O=[N+]([O-])c1ccc2c(c1NCc1cccc(Cn3ccnc3)c1)CCN2 ZINC000225511099 456089152 /nfs/dbraw/zinc/08/91/52/456089152.db2.gz FJFMJWGBHMHSAB-UHFFFAOYSA-N 0 0 349.394 3.420 40 5 EGBBRN COCCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408921060 457590469 /nfs/dbraw/zinc/59/04/69/457590469.db2.gz CCABFMHQPGMOLI-NBVRZTHBSA-N 0 0 340.379 3.288 40 5 EGBBRN Cn1cccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000409095223 457593981 /nfs/dbraw/zinc/59/39/81/457593981.db2.gz GZLLQIGXEOFJFW-ZROIWOOFSA-N 0 0 343.364 3.170 40 5 EGBBRN COc1ccc(C(=O)Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000409390202 457598645 /nfs/dbraw/zinc/59/86/45/457598645.db2.gz BYKQDKZPQCQFBF-UHFFFAOYSA-N 0 0 329.337 3.412 40 5 EGBBRN O=C(CCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000199734137 575317592 /nfs/dbraw/zinc/31/75/92/575317592.db2.gz PAPQRXWSYZRNOB-UHFFFAOYSA-N 0 0 340.379 3.247 40 5 EGBBRN Cc1ccccc1OC[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055693346 214338430 /nfs/dbraw/zinc/33/84/30/214338430.db2.gz RYHSZAHPAIPCPS-AWEZNQCLSA-N 0 0 328.368 3.029 40 5 EGBBRN CCc1nc2n(n1)[C@H](c1ccco1)CC(c1cccc([N+](=O)[O-])c1)=N2 ZINC000100068404 219089738 /nfs/dbraw/zinc/08/97/38/219089738.db2.gz JTIPBNKAXBYNFH-AWEZNQCLSA-N 0 0 337.339 3.398 40 5 EGBBRN CCOc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066014147 215002884 /nfs/dbraw/zinc/00/28/84/215002884.db2.gz UMSAQZUYWKVELR-UHFFFAOYSA-N 0 0 346.339 3.020 40 5 EGBBRN CC(=O)Nc1cc([N+](=O)[O-])ccc1C[C@@H](O)c1ccccc1Cl ZINC000001729115 209788083 /nfs/dbraw/zinc/78/80/83/209788083.db2.gz SWUJHTDRUKTWFU-MRXNPFEDSA-N 0 0 334.759 3.483 40 5 EGBBRN Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000000444445 209604601 /nfs/dbraw/zinc/60/46/01/209604601.db2.gz ZUJXMRIRZGCERR-UHFFFAOYSA-N 0 0 336.145 3.313 40 5 EGBBRN Cc1nccn1-c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022518292 212303600 /nfs/dbraw/zinc/30/36/00/212303600.db2.gz HHMHBVQPPKVMPT-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000194671459 240674765 /nfs/dbraw/zinc/67/47/65/240674765.db2.gz MGQHRVSSVNBGTP-VIFPVBQESA-N 0 0 335.747 3.143 40 5 EGBBRN COc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000216959443 241227244 /nfs/dbraw/zinc/22/72/44/241227244.db2.gz IYNYNFULBVUDQJ-UHFFFAOYSA-N 0 0 338.319 3.368 40 5 EGBBRN C[C@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000021638787 212235661 /nfs/dbraw/zinc/23/56/61/212235661.db2.gz QUQYOTRPURTZPZ-NSHDSACASA-N 0 0 332.381 3.181 40 5 EGBBRN CC(=O)NCc1ccc([C@@H]2CCCN2c2cccc(F)c2[N+](=O)[O-])o1 ZINC000253429286 243974777 /nfs/dbraw/zinc/97/47/77/243974777.db2.gz RGSHXSISRQSKQP-AWEZNQCLSA-N 0 0 347.346 3.305 40 5 EGBBRN CCOC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000009337727 211070767 /nfs/dbraw/zinc/07/07/67/211070767.db2.gz CCPLUJKZOHBXKW-UHFFFAOYSA-N 0 0 344.323 3.032 40 5 EGBBRN COc1ccccc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000006832156 210724941 /nfs/dbraw/zinc/72/49/41/210724941.db2.gz CKTLSKVWNYJVJO-LLVKDONJSA-N 0 0 345.355 3.051 40 5 EGBBRN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000096487403 218864707 /nfs/dbraw/zinc/86/47/07/218864707.db2.gz GHVVKRIIRBFATL-JOYOIKCWSA-N 0 0 338.747 3.083 40 5 EGBBRN COc1ccc(CCNc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000005011258 210360455 /nfs/dbraw/zinc/36/04/55/210360455.db2.gz ULAXHIHELRVYBO-UHFFFAOYSA-N 0 0 332.356 3.275 40 5 EGBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000001934075 452681591 /nfs/dbraw/zinc/68/15/91/452681591.db2.gz DWVNZASEDLYMMO-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)cc1O ZINC000003075707 452742991 /nfs/dbraw/zinc/74/29/91/452742991.db2.gz GCYFENVBSFJJAP-UHFFFAOYSA-N 0 0 331.284 3.078 40 5 EGBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1Br ZINC000003204655 452747596 /nfs/dbraw/zinc/74/75/96/452747596.db2.gz FCYKRHGUKQFORB-UHFFFAOYSA-N 0 0 347.124 3.158 40 5 EGBBRN C[C@@H](O)CCc1ccc([N+](=O)[O-])c(NCCOc2ccccc2)c1 ZINC000005394054 452866556 /nfs/dbraw/zinc/86/65/56/452866556.db2.gz MYZHRUQEXGJTOE-CQSZACIVSA-N 0 0 330.384 3.399 40 5 EGBBRN CCc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005585326 452887032 /nfs/dbraw/zinc/88/70/32/452887032.db2.gz QIFDMUSANMBUIC-UHFFFAOYSA-N 0 0 329.381 3.284 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C)c1C ZINC000005815598 452903771 /nfs/dbraw/zinc/90/37/71/452903771.db2.gz KITKTRZBKLISHP-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000006348433 452937040 /nfs/dbraw/zinc/93/70/40/452937040.db2.gz CIFZMWWBJUONQK-UHFFFAOYSA-N 0 0 336.369 3.021 40 5 EGBBRN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000007306068 453057928 /nfs/dbraw/zinc/05/79/28/453057928.db2.gz NMIPITMFRPHMEZ-LBPRGKRZSA-N 0 0 332.381 3.043 40 5 EGBBRN CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1 ZINC000007951755 453138777 /nfs/dbraw/zinc/13/87/77/453138777.db2.gz KTUGGEYWFCWESH-UHFFFAOYSA-N 0 0 327.340 3.116 40 5 EGBBRN CSC1=C([N+](=O)[O-])[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000008346055 453195637 /nfs/dbraw/zinc/19/56/37/453195637.db2.gz WLHNJPGTSKTXAX-SECBINFHSA-N 0 0 348.211 3.498 40 5 EGBBRN Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CN(C)O[C@@]32[N+](=O)[O-])cc1 ZINC000017703918 453637231 /nfs/dbraw/zinc/63/72/31/453637231.db2.gz AQLJSGVNGNMVKT-NJAFHUGGSA-N 0 0 326.352 3.062 40 5 EGBBRN COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000031546800 453848827 /nfs/dbraw/zinc/84/88/27/453848827.db2.gz VPERDQQAQBIAAA-UHFFFAOYSA-N 0 0 330.340 3.319 40 5 EGBBRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000031546646 453848828 /nfs/dbraw/zinc/84/88/28/453848828.db2.gz COEYMPRWRIOEAZ-ZBEGNZNMSA-N 0 0 339.351 3.442 40 5 EGBBRN CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000095464277 454217317 /nfs/dbraw/zinc/21/73/17/454217317.db2.gz VQAJFIAGTPTQAV-UHFFFAOYSA-N 0 0 334.397 3.309 40 5 EGBBRN O=[N+]([O-])c1cnc(N[C@H](Cn2cncn2)c2ccccc2)c(Cl)c1 ZINC000096429581 454341104 /nfs/dbraw/zinc/34/11/04/454341104.db2.gz YDAARYBNVPXYHN-CQSZACIVSA-N 0 0 344.762 3.088 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(c2ccccc2)CC1 ZINC000048314745 454471483 /nfs/dbraw/zinc/47/14/83/454471483.db2.gz IBVLRARCWGMWJH-UHFFFAOYSA-N 0 0 341.367 3.457 40 5 EGBBRN Cc1ccc(-c2[nH]nc(NC(=O)c3ccccc3[N+](=O)[O-])c2C)o1 ZINC000192479997 455627423 /nfs/dbraw/zinc/62/74/23/455627423.db2.gz RPGIVZRJTGBMPJ-UHFFFAOYSA-N 0 0 326.312 3.447 40 5 EGBBRN O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCc1ncnn1CCF ZINC000252487598 455810937 /nfs/dbraw/zinc/81/09/37/455810937.db2.gz HYAZDCWTISETJI-UHFFFAOYSA-N 0 0 342.330 3.402 40 5 EGBBRN O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214995021 456025957 /nfs/dbraw/zinc/02/59/57/456025957.db2.gz UIPLGFSGXIGRIR-MDWZMJQESA-N 0 0 330.321 3.424 40 5 EGBBRN CCc1ccccc1N(CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224743191 456070077 /nfs/dbraw/zinc/07/00/77/456070077.db2.gz YZYJITUUFSMDNX-UHFFFAOYSA-N 0 0 334.397 3.372 40 5 EGBBRN Cc1c(Cl)cccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004927 456071759 /nfs/dbraw/zinc/07/17/59/456071759.db2.gz KIGSNZYSTSPSJL-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004220 456072143 /nfs/dbraw/zinc/07/21/43/456072143.db2.gz LSCCBMAAXSZMPM-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN O=C1S/C(=C/c2ccc[nH]2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205702902 1296091835 /nfs/dbraw/zinc/09/18/35/1296091835.db2.gz GCWHGSYUIHMIDH-MDWZMJQESA-N 0 0 329.337 3.159 40 5 EGBBRN CN(c1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000102320250 219194713 /nfs/dbraw/zinc/19/47/13/219194713.db2.gz XWXCRHOIZCWKBO-UHFFFAOYSA-N 0 0 344.751 3.212 40 5 EGBBRN O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000003572544 210057510 /nfs/dbraw/zinc/05/75/10/210057510.db2.gz PPIHDIBTRMKKJM-UHFFFAOYSA-N 0 0 330.315 3.092 40 5 EGBBRN O=C1C(=Cc2csc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1F ZINC000103530300 219312756 /nfs/dbraw/zinc/31/27/56/219312756.db2.gz AYLRELZNCZASNR-YHYXMXQVSA-N 0 0 349.368 3.058 40 5 EGBBRN COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000002638723 209879365 /nfs/dbraw/zinc/87/93/65/209879365.db2.gz XXKWWSBGSDATES-UHFFFAOYSA-N 0 0 348.380 3.343 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cccc(F)c1 ZINC000040095095 213263962 /nfs/dbraw/zinc/26/39/62/213263962.db2.gz WKNPTCFOPZXLFO-UHFFFAOYSA-N 0 0 333.319 3.406 40 5 EGBBRN Cc1cccc(C(=O)NCCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000036391490 213094738 /nfs/dbraw/zinc/09/47/38/213094738.db2.gz RLRQWQGKXTUOCF-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cccn2)c1 ZINC000032925835 212874081 /nfs/dbraw/zinc/87/40/81/212874081.db2.gz CRNGTNFHYKQSQI-CMDGGOBGSA-N 0 0 334.335 3.432 40 5 EGBBRN O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc3O2)c2ccncc21 ZINC000023381074 212373112 /nfs/dbraw/zinc/37/31/12/212373112.db2.gz LTWUULFKTKHLLR-LBPRGKRZSA-N 0 0 337.335 3.395 40 5 EGBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)n1cc(CO)c2ccccc21 ZINC000216960041 241228231 /nfs/dbraw/zinc/22/82/31/241228231.db2.gz RYROHKIPGMXOFH-UHFFFAOYSA-N 0 0 330.727 3.384 40 5 EGBBRN Cc1cccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000021769558 212247767 /nfs/dbraw/zinc/24/77/67/212247767.db2.gz KZRNCNBLHZHQHU-CMDGGOBGSA-N 0 0 326.352 3.112 40 5 EGBBRN O=C(N[C@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004072582 284186866 /nfs/dbraw/zinc/18/68/66/284186866.db2.gz BLRZAUBSJKUPIF-INIZCTEOSA-N 0 0 341.323 3.310 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000079310472 217207238 /nfs/dbraw/zinc/20/72/38/217207238.db2.gz XBPUMODRQDDUEG-INIZCTEOSA-N 0 0 341.367 3.124 40 5 EGBBRN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009375894 211077473 /nfs/dbraw/zinc/07/74/73/211077473.db2.gz ABISQDWKJBBTMJ-LBPRGKRZSA-N 0 0 329.356 3.067 40 5 EGBBRN O=[N+]([O-])c1cccc([C@H](O)CSc2n[nH]c(-c3cccs3)n2)c1 ZINC000095432524 218374257 /nfs/dbraw/zinc/37/42/57/218374257.db2.gz CDKXNRXNOBIEML-LLVKDONJSA-N 0 0 348.409 3.267 40 5 EGBBRN O=[N+]([O-])c1ccc(OCc2nc3ccc(Cl)cc3n2CCO)cc1 ZINC000007191796 210767387 /nfs/dbraw/zinc/76/73/87/210767387.db2.gz IPPCQVACTUIQNO-UHFFFAOYSA-N 0 0 347.758 3.169 40 5 EGBBRN CCOc1cc(CO)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409109514 257879041 /nfs/dbraw/zinc/87/90/41/257879041.db2.gz GMNSQKAPUXPFIG-UHFFFAOYSA-N 0 0 334.284 3.186 40 5 EGBBRN O=Cc1ccc(Sc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000408606144 257894196 /nfs/dbraw/zinc/89/41/96/257894196.db2.gz ORSAJRICLWXUCD-UHFFFAOYSA-N 0 0 326.337 3.139 40 5 EGBBRN Cc1ccc(N2CCC(c3nncn3C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000095436085 280864985 /nfs/dbraw/zinc/86/49/85/280864985.db2.gz RVOONYMEFBVVMH-UHFFFAOYSA-N 0 0 327.388 3.214 40 5 EGBBRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1cncc(F)c1 ZINC000097102302 323214808 /nfs/dbraw/zinc/21/48/08/323214808.db2.gz HFZCVASDDINGIM-LLVKDONJSA-N 0 0 329.331 3.039 40 5 EGBBRN CCOc1ccc2ccccc2c1[C@@H]1NC(=O)NC(C)=C1[N+](=O)[O-] ZINC000000358547 452569684 /nfs/dbraw/zinc/56/96/84/452569684.db2.gz KLNQSJLZUPUNNR-HNNXBMFYSA-N 0 0 327.340 3.101 40 5 EGBBRN CCOC(=O)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]21 ZINC000005499743 452878448 /nfs/dbraw/zinc/87/84/48/452878448.db2.gz CXZFJVXIIXNXKO-JQHSSLGASA-N 0 0 338.363 3.256 40 5 EGBBRN Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000005553479 452883313 /nfs/dbraw/zinc/88/33/13/452883313.db2.gz WNFYHUXNCWCTFZ-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(Br)c1 ZINC000005671018 452893099 /nfs/dbraw/zinc/89/30/99/452893099.db2.gz ARWCOKMEHQAINU-UHFFFAOYSA-N 0 0 347.124 3.158 40 5 EGBBRN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000012774234 453402603 /nfs/dbraw/zinc/40/26/03/453402603.db2.gz BQADJMSXYXNZPU-UHFFFAOYSA-N 0 0 332.381 3.045 40 5 EGBBRN COC(=O)c1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1C ZINC000012872280 453418357 /nfs/dbraw/zinc/41/83/57/453418357.db2.gz XKTFSKIKHMPCTL-UHFFFAOYSA-N 0 0 328.324 3.251 40 5 EGBBRN CC(C)CC(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017071000 453628122 /nfs/dbraw/zinc/62/81/22/453628122.db2.gz JMCXEDICDIHTTA-UHFFFAOYSA-N 0 0 338.414 3.064 40 5 EGBBRN O=C(NCCN1CCCc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000020154089 453662755 /nfs/dbraw/zinc/66/27/55/453662755.db2.gz UIAFLDLKFCCOSN-UHFFFAOYSA-N 0 0 340.383 3.169 40 5 EGBBRN CCOC(=O)c1cc(Cl)c(Sc2nnc(C)[nH]2)c([N+](=O)[O-])c1 ZINC000070462494 454169268 /nfs/dbraw/zinc/16/92/68/454169268.db2.gz SVESILWNMKBUNM-UHFFFAOYSA-N 0 0 342.764 3.003 40 5 EGBBRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000096433166 454344734 /nfs/dbraw/zinc/34/47/34/454344734.db2.gz IRSRZHHAKCTHEP-WFASDCNBSA-N 0 0 346.387 3.083 40 5 EGBBRN O=[N+]([O-])c1ccc(COc2ccc(CO)cc2Br)cc1 ZINC000062703286 454384773 /nfs/dbraw/zinc/38/47/73/454384773.db2.gz CIEZFIPEWTXECA-UHFFFAOYSA-N 0 0 338.157 3.429 40 5 EGBBRN COc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])c1 ZINC000133635275 454449174 /nfs/dbraw/zinc/44/91/74/454449174.db2.gz IEINVTGCYGXPDS-UHFFFAOYSA-N 0 0 343.314 3.405 40 5 EGBBRN Cc1c(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)cnn1C(C)C ZINC000191403647 455483370 /nfs/dbraw/zinc/48/33/70/455483370.db2.gz OYKXLBFVVOPUBY-UHFFFAOYSA-N 0 0 332.360 3.049 40 5 EGBBRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000113942499 454940392 /nfs/dbraw/zinc/94/03/92/454940392.db2.gz SYDGWTBERVWXLN-OAHLLOKOSA-N 0 0 334.397 3.333 40 5 EGBBRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CNc2ccccc2)c1 ZINC000252509620 455817159 /nfs/dbraw/zinc/81/71/59/455817159.db2.gz YSFSTJHTWUIPBW-ZDUSSCGKSA-N 0 0 343.383 3.224 40 5 EGBBRN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000195551090 455984045 /nfs/dbraw/zinc/98/40/45/455984045.db2.gz ZWOUAHBUIGPPCJ-HZUKXOBISA-N 0 0 338.429 3.088 40 5 EGBBRN CCn1c(=O)sc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000225074260 456072868 /nfs/dbraw/zinc/07/28/68/456072868.db2.gz NIMPAZAEJYQYPX-UHFFFAOYSA-N 0 0 343.364 3.243 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000298129614 456371840 /nfs/dbraw/zinc/37/18/40/456371840.db2.gz XJWARIHMTZTEDS-UHFFFAOYSA-N 0 0 325.368 3.124 40 5 EGBBRN CC(C)COc1ccccc1C=Cc1nc(O)c([N+](=O)[O-])c(O)n1 ZINC000408600151 457583737 /nfs/dbraw/zinc/58/37/37/457583737.db2.gz VXFAAFCZITZFMQ-BQYQJAHWSA-N 0 0 331.328 3.001 40 5 EGBBRN O=C(NCCSc1ccccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408877621 457588695 /nfs/dbraw/zinc/58/86/95/457588695.db2.gz WIEHXLFHSSNXRJ-UHFFFAOYSA-N 0 0 337.788 3.165 40 5 EGBBRN O=[N+]([O-])C1=CCC(=NS(=O)(=O)c2ccccc2C(F)(F)F)C=C1 ZINC000016756629 1424787629 /nfs/dbraw/zinc/78/76/29/1424787629.db2.gz UJFYSELBHRSTGI-UHFFFAOYSA-N 0 0 346.286 3.414 40 5 EGBBRN CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000186738795 529859007 /nfs/dbraw/zinc/85/90/07/529859007.db2.gz RFODWSZYESBTNZ-UHFFFAOYSA-N 0 0 326.356 3.185 40 5 EGBBRN CCCCCN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000040105088 213264719 /nfs/dbraw/zinc/26/47/19/213264719.db2.gz UXSDMOBYFDRUSC-UHFFFAOYSA-N 0 0 328.434 3.493 40 5 EGBBRN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000040073827 213259233 /nfs/dbraw/zinc/25/92/33/213259233.db2.gz MUOASJBLXNULRP-UHFFFAOYSA-N 0 0 344.342 3.304 40 5 EGBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(N)=O ZINC000035313389 213021253 /nfs/dbraw/zinc/02/12/53/213021253.db2.gz RTGXAMYPRXJXPM-UHFFFAOYSA-N 0 0 340.433 3.279 40 5 EGBBRN NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000226256940 242092486 /nfs/dbraw/zinc/09/24/86/242092486.db2.gz TWCNKXDYQGRZMN-ZZXKWVIFSA-N 0 0 337.129 3.116 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016733889 211932188 /nfs/dbraw/zinc/93/21/88/211932188.db2.gz BNEABTMGBAOLPK-CYBMUJFWSA-N 0 0 334.397 3.285 40 5 EGBBRN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000011714947 211239894 /nfs/dbraw/zinc/23/98/94/211239894.db2.gz OXBGWCVKGVVDTC-UHFFFAOYSA-N 0 0 327.340 3.442 40 5 EGBBRN CC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000009834521 211126757 /nfs/dbraw/zinc/12/67/57/211126757.db2.gz CICNYGXVLAZEIC-UHFFFAOYSA-N 0 0 328.324 3.123 40 5 EGBBRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000008704791 210983029 /nfs/dbraw/zinc/98/30/29/210983029.db2.gz BIYOYNXREOGUGC-UHFFFAOYSA-N 0 0 339.351 3.083 40 5 EGBBRN COc1ccc(Cl)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000006061681 210583042 /nfs/dbraw/zinc/58/30/42/210583042.db2.gz GBSWWRMFGHYQFJ-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000006004224 210574677 /nfs/dbraw/zinc/57/46/77/210574677.db2.gz VQKQXAHMOWZESR-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN Cc1ccc([C@@H]2COCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000153166832 224068050 /nfs/dbraw/zinc/06/80/50/224068050.db2.gz RXNNTJQIVMKPII-HNNXBMFYSA-N 0 0 345.355 3.410 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1C(=O)N1CCCc2cccc(C)c21 ZINC000096493581 218870601 /nfs/dbraw/zinc/87/06/01/218870601.db2.gz KDSNQPHXZHKQAM-UHFFFAOYSA-N 0 0 328.372 3.021 40 5 EGBBRN Cc1nn(-c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000004839512 210295035 /nfs/dbraw/zinc/29/50/35/210295035.db2.gz RMLRGFNKGOXASQ-UHFFFAOYSA-N 0 0 341.121 3.068 40 5 EGBBRN O=c1/c(=C/C=C/c2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000059418377 257850656 /nfs/dbraw/zinc/85/06/56/257850656.db2.gz MZYHBFUQOSSOLE-FEHKTJPBSA-N 0 0 349.371 3.030 40 5 EGBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000001998530 275002291 /nfs/dbraw/zinc/00/22/91/275002291.db2.gz YBBSIEMORQCPPR-UHFFFAOYSA-N 0 0 344.308 3.365 40 5 EGBBRN Cc1cc(I)c(Br)c([N+](=O)[O-])c1 ZINC000216843335 278702808 /nfs/dbraw/zinc/70/28/08/278702808.db2.gz MHQOHLGFCBFSHM-UHFFFAOYSA-N 0 0 341.930 3.270 40 5 EGBBRN Cc1cc(C)c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000224754748 301183277 /nfs/dbraw/zinc/18/32/77/301183277.db2.gz CFPJKMPJWSKLFX-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN COc1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1OC ZINC000001458729 452666275 /nfs/dbraw/zinc/66/62/75/452666275.db2.gz UGRNNUDWFRRYAT-UHFFFAOYSA-N 0 0 349.346 3.003 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000003383722 452762638 /nfs/dbraw/zinc/76/26/38/452762638.db2.gz UGORLRRMHHGSOP-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccc(Cl)cc1 ZINC000013633112 453476450 /nfs/dbraw/zinc/47/64/50/453476450.db2.gz XYKUCZXJEKJPJM-UHFFFAOYSA-N 0 0 333.775 3.399 40 5 EGBBRN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014219039 453521758 /nfs/dbraw/zinc/52/17/58/453521758.db2.gz XFGHNVFIBXXMDL-GFCCVEGCSA-N 0 0 334.397 3.197 40 5 EGBBRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000014258457 453528312 /nfs/dbraw/zinc/52/83/12/453528312.db2.gz YXGCILUIGXGOMA-UHFFFAOYSA-N 0 0 337.719 3.442 40 5 EGBBRN CCOCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000030179471 453834196 /nfs/dbraw/zinc/83/41/96/453834196.db2.gz RJXNTGGPUHMWBV-UHFFFAOYSA-N 0 0 328.368 3.370 40 5 EGBBRN O=C(CCOc1cccc([N+](=O)[O-])c1)NCCc1ccc(Cl)cc1 ZINC000031483797 453848086 /nfs/dbraw/zinc/84/80/86/453848086.db2.gz WOKUCPSUBYEQNY-UHFFFAOYSA-N 0 0 348.786 3.376 40 5 EGBBRN COc1ccc(NC(=O)CN(C)c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000054289153 453921109 /nfs/dbraw/zinc/92/11/09/453921109.db2.gz CDBLZZWLXVFXQE-UHFFFAOYSA-N 0 0 343.383 3.295 40 5 EGBBRN Cc1cccc(N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000059373906 454258465 /nfs/dbraw/zinc/25/84/65/454258465.db2.gz RKJZNUFGLFENMD-UHFFFAOYSA-N 0 0 341.411 3.104 40 5 EGBBRN CN1C(=O)[C@@H]2C=CC=C[C@@H]2N=C1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000096310116 454318629 /nfs/dbraw/zinc/31/86/29/454318629.db2.gz LIHXCSZPUAXTNN-PWSUYJOCSA-N 0 0 349.799 3.279 40 5 EGBBRN Cc1cccc([C@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000096423796 454337979 /nfs/dbraw/zinc/33/79/79/454337979.db2.gz LIVNRAIJSWXXAJ-QGZVFWFLSA-N 0 0 342.399 3.162 40 5 EGBBRN COc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1OC ZINC000062718905 454386232 /nfs/dbraw/zinc/38/62/32/454386232.db2.gz ODBZAPCBVWOXEW-UHFFFAOYSA-N 0 0 326.312 3.064 40 5 EGBBRN CSCC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000092622746 454596792 /nfs/dbraw/zinc/59/67/92/454596792.db2.gz FOFMUHYIIMBBEC-UHFFFAOYSA-N 0 0 333.369 3.392 40 5 EGBBRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCCC2)nc1C ZINC000194914785 455898865 /nfs/dbraw/zinc/89/88/65/455898865.db2.gz PFBCPYFIBIPMBE-UHFFFAOYSA-N 0 0 340.383 3.459 40 5 EGBBRN O=C(NCc1nccs1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000195567003 455986415 /nfs/dbraw/zinc/98/64/15/455986415.db2.gz LMODNNLNYFLZAP-UHFFFAOYSA-N 0 0 346.290 3.392 40 5 EGBBRN Cc1cccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000223898291 456061557 /nfs/dbraw/zinc/06/15/57/456061557.db2.gz XIOVHSZQELKQQJ-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000225506864 456089225 /nfs/dbraw/zinc/08/92/25/456089225.db2.gz SULHOLRXAIAPNO-UHFFFAOYSA-N 0 0 345.208 3.039 40 5 EGBBRN CCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000409238039 457597630 /nfs/dbraw/zinc/59/76/30/457597630.db2.gz KAKYKIFSULTTSM-ZROIWOOFSA-N 0 0 341.323 3.076 40 5 EGBBRN CCCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409241698 457597677 /nfs/dbraw/zinc/59/76/77/457597677.db2.gz LPOWQGKLEXHEFZ-UVTDQMKNSA-N 0 0 341.323 3.158 40 5 EGBBRN CC(=O)c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052875802 214151599 /nfs/dbraw/zinc/15/15/99/214151599.db2.gz YUPOQVLRNFNKJA-UHFFFAOYSA-N 0 0 327.340 3.162 40 5 EGBBRN COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000032826176 212851525 /nfs/dbraw/zinc/85/15/25/212851525.db2.gz MUHJDBSFBBBVCM-UHFFFAOYSA-N 0 0 344.327 3.206 40 5 EGBBRN COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000021912894 212262766 /nfs/dbraw/zinc/26/27/66/212262766.db2.gz KAIWOMFFCDMVFB-UHFFFAOYSA-N 0 0 344.367 3.193 40 5 EGBBRN COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000020494620 212140287 /nfs/dbraw/zinc/14/02/87/212140287.db2.gz UWJKMOJDUDJTQW-LBPRGKRZSA-N 0 0 344.367 3.411 40 5 EGBBRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013667563 211601195 /nfs/dbraw/zinc/60/11/95/211601195.db2.gz PTRCGURIGKLWMS-ZDUSSCGKSA-N 0 0 344.367 3.109 40 5 EGBBRN Cc1cc(NC(=O)N2CCC(c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000153721861 224147338 /nfs/dbraw/zinc/14/73/38/224147338.db2.gz QYGRNWLVZGECAW-UHFFFAOYSA-N 0 0 343.387 3.048 40 5 EGBBRN Cc1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000153806646 224159882 /nfs/dbraw/zinc/15/98/82/224159882.db2.gz QCVADELPLDYCCD-OAHLLOKOSA-N 0 0 329.360 3.385 40 5 EGBBRN O=[N+]([O-])c1cccc(-c2n[nH]c(CCNc3ccc(F)cc3)n2)c1 ZINC000062719001 257690895 /nfs/dbraw/zinc/69/08/95/257690895.db2.gz IZVBJXOQOJYHSL-UHFFFAOYSA-N 0 0 327.319 3.174 40 5 EGBBRN CSc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000059459355 257850026 /nfs/dbraw/zinc/85/00/26/257850026.db2.gz LWLQHPADTFFMDS-UHFFFAOYSA-N 0 0 342.380 3.305 40 5 EGBBRN Cc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000013670028 257912203 /nfs/dbraw/zinc/91/22/03/257912203.db2.gz RIINCDOCFZAURH-UHFFFAOYSA-N 0 0 339.395 3.086 40 5 EGBBRN O=[N+]([O-])c1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000573521 135653035 /nfs/dbraw/zinc/65/30/35/135653035.db2.gz KNTGYBUBTLOCOH-UHFFFAOYSA-N 0 0 345.399 3.232 40 5 EGBBRN O=C(Nc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000032117905 274999835 /nfs/dbraw/zinc/99/98/35/274999835.db2.gz YSPFJRJXBSBXEB-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1Br ZINC000085386526 276302357 /nfs/dbraw/zinc/30/23/57/276302357.db2.gz POGCJNPTUXPWOV-UHFFFAOYSA-N 0 0 325.118 3.082 40 5 EGBBRN O=[N+]([O-])c1cn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)cn1 ZINC000000426655 452588683 /nfs/dbraw/zinc/58/86/83/452588683.db2.gz CGNSFSWOEPNOAX-UHFFFAOYSA-N 0 0 335.245 3.256 40 5 EGBBRN Cc1c(C(=O)Nc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000005439748 452873791 /nfs/dbraw/zinc/87/37/91/452873791.db2.gz RXFYSJOQHJNJAG-UHFFFAOYSA-N 0 0 339.351 3.282 40 5 EGBBRN O=C(COC(=O)c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000005692493 452895603 /nfs/dbraw/zinc/89/56/03/452895603.db2.gz DMKMMSSZSFARFI-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN CN(C)c1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000006396207 452940213 /nfs/dbraw/zinc/94/02/13/452940213.db2.gz UTAKVKLXGHQGRV-WJDWOHSUSA-N 0 0 337.335 3.005 40 5 EGBBRN Cc1nn(Cc2ccc(F)cc2Br)c(C)c1[N+](=O)[O-] ZINC000008726627 453228305 /nfs/dbraw/zinc/22/83/05/453228305.db2.gz NENOTTZKVNEGRC-UHFFFAOYSA-N 0 0 328.141 3.358 40 5 EGBBRN COc1ccc(OC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000013670991 453480889 /nfs/dbraw/zinc/48/08/89/453480889.db2.gz WSDHORGCCDKNSA-ZDUSSCGKSA-N 0 0 344.367 3.109 40 5 EGBBRN O=C(Cn1cnc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014737576 453542055 /nfs/dbraw/zinc/54/20/55/453542055.db2.gz KHXWDPGYACYVMY-UHFFFAOYSA-N 0 0 330.731 3.237 40 5 EGBBRN CCCCC(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017071001 453628363 /nfs/dbraw/zinc/62/83/63/453628363.db2.gz LYRWTBPKGDSIOB-UHFFFAOYSA-N 0 0 338.414 3.208 40 5 EGBBRN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000025253715 453763405 /nfs/dbraw/zinc/76/34/05/453763405.db2.gz FEVPRMORRVBIDW-UHFFFAOYSA-N 0 0 348.742 3.249 40 5 EGBBRN O=C(CCOc1cccc([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 ZINC000031550651 453849152 /nfs/dbraw/zinc/84/91/52/453849152.db2.gz FUUYTIYVILWCGT-UHFFFAOYSA-N 0 0 334.759 3.334 40 5 EGBBRN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NCc1cccs1 ZINC000032777322 453890245 /nfs/dbraw/zinc/89/02/45/453890245.db2.gz GPVJTVAAOIMPPW-UHFFFAOYSA-N 0 0 349.393 3.206 40 5 EGBBRN O=C(Nc1ccc(F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000032925990 453897043 /nfs/dbraw/zinc/89/70/43/453897043.db2.gz OKCOWMRGSBWJDH-UHFFFAOYSA-N 0 0 326.287 3.172 40 5 EGBBRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000120028632 454249204 /nfs/dbraw/zinc/24/92/04/454249204.db2.gz OACZQRVCCVWQOF-DOMZBBRYSA-N 0 0 347.371 3.438 40 5 EGBBRN COc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059351896 454258436 /nfs/dbraw/zinc/25/84/36/454258436.db2.gz LQNGNMRYCBFWSK-YFTXEMMHSA-N 0 0 326.352 3.494 40 5 EGBBRN Cc1cc([C@](C)(O)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)o1 ZINC000096433637 454344531 /nfs/dbraw/zinc/34/45/31/454344531.db2.gz ZUMYDBANSULJLP-QGZVFWFLSA-N 0 0 347.371 3.142 40 5 EGBBRN O=C1COc2cc(NCc3ccccc3[N+](=O)[O-])c(Cl)cc2N1 ZINC000078973793 454347177 /nfs/dbraw/zinc/34/71/77/454347177.db2.gz MOAUDCRBFUFEKQ-UHFFFAOYSA-N 0 0 333.731 3.191 40 5 EGBBRN COc1cc(NC[C@H]2CC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000096453769 454357452 /nfs/dbraw/zinc/35/74/52/454357452.db2.gz SMOLBMNRURNTSS-LLVKDONJSA-N 0 0 327.340 3.141 40 5 EGBBRN C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247672113 455636398 /nfs/dbraw/zinc/63/63/98/455636398.db2.gz QZAOTQWUPORFMH-LALPHHSUSA-N 0 0 347.371 3.060 40 5 EGBBRN CC(C)Sc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000222817008 456050438 /nfs/dbraw/zinc/05/04/38/456050438.db2.gz RLFXHXKNHMIOAB-UHFFFAOYSA-N 0 0 338.414 3.128 40 5 EGBBRN CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223737233 456059591 /nfs/dbraw/zinc/05/95/91/456059591.db2.gz OSZINLXWFBATIF-UHFFFAOYSA-N 0 0 348.424 3.371 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000182594503 534346723 /nfs/dbraw/zinc/34/67/23/534346723.db2.gz JYRZGBAREBFRQN-CQSZACIVSA-N 0 0 343.383 3.015 40 5 EGBBRN CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000055663166 214337006 /nfs/dbraw/zinc/33/70/06/214337006.db2.gz VLKMLFXGRXYWPN-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000065720461 214991965 /nfs/dbraw/zinc/99/19/65/214991965.db2.gz SCFMHRJIZUXRGL-AWEZNQCLSA-N 0 0 328.368 3.409 40 5 EGBBRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000067086281 215111626 /nfs/dbraw/zinc/11/16/26/215111626.db2.gz XNBYAGDIKLURSZ-ZDUSSCGKSA-N 0 0 328.368 3.409 40 5 EGBBRN CC(=O)c1ccc(NCC[C@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000102898734 219238204 /nfs/dbraw/zinc/23/82/04/219238204.db2.gz AXWOMGZEPBVGBT-CQSZACIVSA-N 0 0 339.351 3.335 40 5 EGBBRN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036779264 213118835 /nfs/dbraw/zinc/11/88/35/213118835.db2.gz NIYDZIHGXWFTAQ-UHFFFAOYSA-N 0 0 338.367 3.454 40 5 EGBBRN CC(C)(C)C[C@H](NC(=O)CCn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000031800027 212748480 /nfs/dbraw/zinc/74/84/80/212748480.db2.gz VYXBIAIZDGUCMW-HNNXBMFYSA-N 0 0 344.415 3.475 40 5 EGBBRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Cl)cc1Cl ZINC000000136119 209443434 /nfs/dbraw/zinc/44/34/34/209443434.db2.gz UPOGOBRIGAKYDA-UHFFFAOYSA-N 0 0 344.154 3.264 40 5 EGBBRN CCOC[C@H]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000073042950 216343465 /nfs/dbraw/zinc/34/34/65/216343465.db2.gz DHVLNKCCUFGDSF-KGLIPLIRSA-N 0 0 335.404 3.114 40 5 EGBBRN Cc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000020458543 212132750 /nfs/dbraw/zinc/13/27/50/212132750.db2.gz IQIFGIDKZBMOHE-UHFFFAOYSA-N 0 0 340.788 3.499 40 5 EGBBRN O=[N+]([O-])c1ccc(NCc2nccn2CCCc2ccccc2)nc1 ZINC000081033238 217354028 /nfs/dbraw/zinc/35/40/28/217354028.db2.gz WFBVWGPOFHXRBI-UHFFFAOYSA-N 0 0 337.383 3.431 40 5 EGBBRN O=C(CC1CCOCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000091963531 218094390 /nfs/dbraw/zinc/09/43/90/218094390.db2.gz WPLQQTNWJZBEMO-UHFFFAOYSA-N 0 0 343.177 3.113 40 5 EGBBRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CC1 ZINC000011201626 211206799 /nfs/dbraw/zinc/20/67/99/211206799.db2.gz RAQGDWGKQKQXGD-SFHVURJKSA-N 0 0 326.352 3.241 40 5 EGBBRN O=[N+]([O-])c1cccc(C2=NNC(=NCCc3cccs3)SC2)c1 ZINC000011127308 211205730 /nfs/dbraw/zinc/20/57/30/211205730.db2.gz UWWXPRQLDIOKRE-UHFFFAOYSA-N 0 0 346.437 3.296 40 5 EGBBRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H]1C2 ZINC000096484545 218860355 /nfs/dbraw/zinc/86/03/55/218860355.db2.gz OVGOIGDAFZOGBD-SCZZXKLOSA-N 0 0 340.177 3.374 40 5 EGBBRN COCCCN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409238536 257873401 /nfs/dbraw/zinc/87/34/01/257873401.db2.gz DUYNCUGWCFPUJU-CEOICYJGSA-N 0 0 348.380 3.224 40 5 EGBBRN O=C1Nc2ccccc2S/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000409101418 257879593 /nfs/dbraw/zinc/87/95/93/257879593.db2.gz BSIPQNMPZLRDML-UUASQNMZSA-N 0 0 342.332 3.409 40 5 EGBBRN O=C1CCCCN1c1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000057141917 132198669 /nfs/dbraw/zinc/19/86/69/132198669.db2.gz PYZVUTLYAVJIOP-UHFFFAOYSA-N 0 0 326.356 3.119 40 5 EGBBRN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000245463 452546534 /nfs/dbraw/zinc/54/65/34/452546534.db2.gz PRZJAGSJLBKGJG-MRXNPFEDSA-N 0 0 345.742 3.487 40 5 EGBBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000505876 452610368 /nfs/dbraw/zinc/61/03/68/452610368.db2.gz UPPZASQSZJPBCQ-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN COc1ccc(N2C(=S)N=NC2c2cccc([N+](=O)[O-])c2)cc1 ZINC000005447917 452873451 /nfs/dbraw/zinc/87/34/51/452873451.db2.gz XFFPZIQZAGNMLF-UHFFFAOYSA-N 0 0 328.353 3.140 40 5 EGBBRN C=CS(=O)(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc21 ZINC000005582591 452886861 /nfs/dbraw/zinc/88/68/61/452886861.db2.gz FETZQIOHMSCAJT-UHFFFAOYSA-N 0 0 329.377 3.322 40 5 EGBBRN O=C(COC(=O)c1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005636341 452889998 /nfs/dbraw/zinc/88/99/98/452889998.db2.gz UYKSAMFYENFMMT-UHFFFAOYSA-N 0 0 340.744 3.105 40 5 EGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1 ZINC000006916975 453007667 /nfs/dbraw/zinc/00/76/67/453007667.db2.gz YFXOHIGDLNCFFT-UHFFFAOYSA-N 0 0 337.129 3.109 40 5 EGBBRN Cc1nn(CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000007391440 453069374 /nfs/dbraw/zinc/06/93/74/453069374.db2.gz WWSZHTKOUXPLPJ-DFBGVHRSSA-N 0 0 337.420 3.412 40 5 EGBBRN CCc1nc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000014798618 453545161 /nfs/dbraw/zinc/54/51/61/453545161.db2.gz OGRWFMRSNNZHDY-UHFFFAOYSA-N 0 0 338.367 3.454 40 5 EGBBRN O=C(NCC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000016857373 453623636 /nfs/dbraw/zinc/62/36/36/453623636.db2.gz WWOXLUHUDGNAHC-UHFFFAOYSA-N 0 0 340.379 3.073 40 5 EGBBRN Cc1ccsc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000024695936 453742929 /nfs/dbraw/zinc/74/29/29/453742929.db2.gz KPEOWJLVPSOINK-UHFFFAOYSA-N 0 0 342.380 3.080 40 5 EGBBRN CCOC(=O)c1sc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1C ZINC000026441967 453799595 /nfs/dbraw/zinc/79/95/95/453799595.db2.gz TZVIRVFEXUSAJA-UHFFFAOYSA-N 0 0 331.353 3.456 40 5 EGBBRN O=C(NC[C@H](O)c1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000031097553 453838446 /nfs/dbraw/zinc/83/84/46/453838446.db2.gz YFRRIZQLBFSXDA-AWEZNQCLSA-N 0 0 335.747 3.103 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc2c(c1)CCC2 ZINC000032826254 453892940 /nfs/dbraw/zinc/89/29/40/453892940.db2.gz SFVCECUUXBVQBL-UHFFFAOYSA-N 0 0 327.336 3.449 40 5 EGBBRN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@H]4[C@@H]5C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]45)c([N+](=O)[O-])c1 ZINC000043761788 454077263 /nfs/dbraw/zinc/07/72/63/454077263.db2.gz NEBJMRBTFOQIIY-XVJNSDEZSA-N 0 0 342.351 3.166 40 5 EGBBRN CCN(Cc1ccoc1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000130935839 454227095 /nfs/dbraw/zinc/22/70/95/454227095.db2.gz UPJPCDHZHYOMIC-UHFFFAOYSA-N 0 0 340.339 3.036 40 5 EGBBRN O=C1CCCCCN1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000046229266 454231879 /nfs/dbraw/zinc/23/18/79/454231879.db2.gz VMCUTIUSUJOGKA-UHFFFAOYSA-N 0 0 342.399 3.348 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(C)s2)c1 ZINC000096413906 454330595 /nfs/dbraw/zinc/33/05/95/454330595.db2.gz LMBVAXVOZFJBOL-SNVBAGLBSA-N 0 0 334.397 3.334 40 5 EGBBRN O=[N+]([O-])c1cc(CNc2ccccc2N2CCC(O)CC2)cs1 ZINC000096427442 454340647 /nfs/dbraw/zinc/34/06/47/454340647.db2.gz GCKKLQMTIAOVLJ-UHFFFAOYSA-N 0 0 333.413 3.230 40 5 EGBBRN CC(C)c1nccn1CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000062130042 454367791 /nfs/dbraw/zinc/36/77/91/454367791.db2.gz XXGHMOJZWCVDTP-UHFFFAOYSA-N 0 0 346.387 3.060 40 5 EGBBRN O=[N+]([O-])c1cnn(CCO)c1-c1cccc(Oc2ccccc2)c1 ZINC000096527512 454373563 /nfs/dbraw/zinc/37/35/63/454373563.db2.gz JFQIDRQZIPZULT-UHFFFAOYSA-N 0 0 325.324 3.243 40 5 EGBBRN COc1cccc(NCCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000062719254 454386101 /nfs/dbraw/zinc/38/61/01/454386101.db2.gz VQLOCIUBMRLLFQ-UHFFFAOYSA-N 0 0 339.355 3.043 40 5 EGBBRN CNc1ccc(CNc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000097375679 454434562 /nfs/dbraw/zinc/43/45/62/454434562.db2.gz XUVSXLKTEUYMLP-UHFFFAOYSA-N 0 0 333.295 3.119 40 5 EGBBRN Cc1cc([N+](=O)[O-])cnc1Sc1nnc(-c2cccs2)n1C ZINC000092584046 454589756 /nfs/dbraw/zinc/58/97/56/454589756.db2.gz OPSGHRZTQFAPMK-UHFFFAOYSA-N 0 0 333.398 3.306 40 5 EGBBRN C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152530782 455132872 /nfs/dbraw/zinc/13/28/72/455132872.db2.gz QZAOTQWUPORFMH-TYNCELHUSA-N 0 0 347.371 3.060 40 5 EGBBRN Cc1cc(F)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000192804149 455697268 /nfs/dbraw/zinc/69/72/68/455697268.db2.gz BPXZTKVOGPCEMY-UHFFFAOYSA-N 0 0 344.751 3.497 40 5 EGBBRN CCOC(=O)N1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000196644955 455997504 /nfs/dbraw/zinc/99/75/04/455997504.db2.gz MYFWXFIVWURCIV-UHFFFAOYSA-N 0 0 327.768 3.281 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccncc2)o1 ZINC000408583847 457582907 /nfs/dbraw/zinc/58/29/07/457582907.db2.gz XPCJSLFDDBCCIE-UHFFFAOYSA-N 0 0 342.336 3.394 40 5 EGBBRN Cc1sc2[nH]c(-c3cc4c(cc3[N+](=O)[O-])OCO4)nc(=O)c2c1C ZINC000408734907 457588004 /nfs/dbraw/zinc/58/80/04/457588004.db2.gz LIROVVVBOHUPIU-UHFFFAOYSA-N 0 0 345.336 3.318 40 5 EGBBRN COc1ccccc1CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000217875499 537030957 /nfs/dbraw/zinc/03/09/57/537030957.db2.gz UGHFSQKCFONLJD-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN Cc1ccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000224121573 547246434 /nfs/dbraw/zinc/24/64/34/547246434.db2.gz OJQDVFPYGAQPMI-UHFFFAOYSA-N 0 0 348.786 3.294 40 5 EGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)c1cc(C)ccc1C ZINC000054273049 214228198 /nfs/dbraw/zinc/22/81/98/214228198.db2.gz JEIDYNMCTBBZRQ-UHFFFAOYSA-N 0 0 343.383 3.295 40 5 EGBBRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055675474 214337407 /nfs/dbraw/zinc/33/74/07/214337407.db2.gz LJGHQLZMXRWBPQ-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cccn2)cc1 ZINC000047176723 213834800 /nfs/dbraw/zinc/83/48/00/213834800.db2.gz SPCKSTCAEKVWKP-DHZHZOJOSA-N 0 0 348.362 3.492 40 5 EGBBRN O=C1C(=Cc2csc([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1 ZINC000103582140 219314003 /nfs/dbraw/zinc/31/40/03/219314003.db2.gz HIJKDOQCRLDFFI-WDZFZDKYSA-N 0 0 337.426 3.047 40 5 EGBBRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000038754641 213223990 /nfs/dbraw/zinc/22/39/90/213223990.db2.gz RNUGDLLATVUOAX-CQSZACIVSA-N 0 0 348.424 3.392 40 5 EGBBRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000476161 209625428 /nfs/dbraw/zinc/62/54/28/209625428.db2.gz RKGOSGCINMTJCR-RVDMUPIBSA-N 0 0 339.376 3.199 40 5 EGBBRN CCNc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000025323147 212474452 /nfs/dbraw/zinc/47/44/52/212474452.db2.gz BGVOYLBABCTPCQ-UHFFFAOYSA-N 0 0 335.389 3.254 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1snnc1-c1ccccc1 ZINC000225759833 242022849 /nfs/dbraw/zinc/02/28/49/242022849.db2.gz VBUJFVARWLORPD-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(Cl)cc2)ccc1F ZINC000226862761 242117153 /nfs/dbraw/zinc/11/71/53/242117153.db2.gz ZHMDLGCEXXHDRK-UHFFFAOYSA-N 0 0 331.708 3.155 40 5 EGBBRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000020048549 212098230 /nfs/dbraw/zinc/09/82/30/212098230.db2.gz CNYKUOQBDBKTLU-LBPRGKRZSA-N 0 0 344.367 3.411 40 5 EGBBRN Cc1cc(NC(=O)COC(=O)CC2CCCC2)c([N+](=O)[O-])cc1C ZINC000007108366 210758400 /nfs/dbraw/zinc/75/84/00/210758400.db2.gz VURZYMSZERODOM-UHFFFAOYSA-N 0 0 334.372 3.274 40 5 EGBBRN CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000007168340 210764998 /nfs/dbraw/zinc/76/49/98/210764998.db2.gz OHURKHPSTWLKGR-NWDGAFQWSA-N 0 0 332.360 3.168 40 5 EGBBRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006763492 210705405 /nfs/dbraw/zinc/70/54/05/210705405.db2.gz GROXKUHPMGEVHM-NSHDSACASA-N 0 0 330.340 3.103 40 5 EGBBRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006265973 210609167 /nfs/dbraw/zinc/60/91/67/210609167.db2.gz AOZXMPHRGFBTJV-UHFFFAOYSA-N 0 0 337.335 3.309 40 5 EGBBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000505875 257870224 /nfs/dbraw/zinc/87/02/24/257870224.db2.gz NGMYLLITBMPNFA-UHFFFAOYSA-N 0 0 347.371 3.478 40 5 EGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000020528861 257856566 /nfs/dbraw/zinc/85/65/66/257856566.db2.gz XHTUMVRURHCQFD-UHFFFAOYSA-N 0 0 345.311 3.381 40 5 EGBBRN COc1ccc(C)cc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001628064 286294170 /nfs/dbraw/zinc/29/41/70/286294170.db2.gz RJQRLKSVAGJKAI-UHFFFAOYSA-N 0 0 341.772 3.398 40 5 EGBBRN Cc1c(C(=O)NCCOc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000159531490 225234332 /nfs/dbraw/zinc/23/43/32/225234332.db2.gz ADNCEHYKSZVVOO-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN O=C(Nc1nccs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006335280 280066453 /nfs/dbraw/zinc/06/64/53/280066453.db2.gz QVKUWXJLILYOHD-UHFFFAOYSA-N 0 0 332.385 3.294 40 5 EGBBRN Cc1nc(N[C@@H](CN2CCCC2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000268533593 302610738 /nfs/dbraw/zinc/61/07/38/302610738.db2.gz XVCVHJHHFBUVHK-HNNXBMFYSA-N 0 0 340.383 3.074 40 5 EGBBRN COc1cc(C(=O)N(Cc2ccncc2)C2CC2)cc([N+](=O)[O-])c1C ZINC000189918172 455253577 /nfs/dbraw/zinc/25/35/77/455253577.db2.gz FGHBTMVPQXUMLH-UHFFFAOYSA-N 0 0 341.367 3.112 40 5 EGBBRN COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000000557790 452621908 /nfs/dbraw/zinc/62/19/08/452621908.db2.gz BVXOXSKWZHIQRD-UHFFFAOYSA-N 0 0 338.266 3.457 40 5 EGBBRN Cc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001961942 452683916 /nfs/dbraw/zinc/68/39/16/452683916.db2.gz LFLPDMTUOZIZHZ-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000003506577 452773814 /nfs/dbraw/zinc/77/38/14/452773814.db2.gz HNMZFQYUTFGZFV-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000009141564 453244774 /nfs/dbraw/zinc/24/47/74/453244774.db2.gz CMKPFFXWYZPKKK-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN CCOc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000012592056 453377915 /nfs/dbraw/zinc/37/79/15/453377915.db2.gz QZAPNTSNANNRID-UHFFFAOYSA-N 0 0 329.356 3.434 40 5 EGBBRN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012774297 453403267 /nfs/dbraw/zinc/40/32/67/453403267.db2.gz BZTQHEIVVGMZHB-UHFFFAOYSA-N 0 0 332.381 3.045 40 5 EGBBRN Cc1ccc(CCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013670432 453480154 /nfs/dbraw/zinc/48/01/54/453480154.db2.gz SGISZYQHFAPUDQ-UHFFFAOYSA-N 0 0 348.424 3.123 40 5 EGBBRN Cc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000014037578 453499503 /nfs/dbraw/zinc/49/95/03/453499503.db2.gz NUDPIBMKDCQWAG-UHFFFAOYSA-N 0 0 333.344 3.169 40 5 EGBBRN COc1ccc(NC(=O)COc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000014258211 453528607 /nfs/dbraw/zinc/52/86/07/453528607.db2.gz PFIPPMSLUVFDDD-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000014898712 453547294 /nfs/dbraw/zinc/54/72/94/453547294.db2.gz ZYDQPSHCZWMQKW-HNNXBMFYSA-N 0 0 334.419 3.413 40 5 EGBBRN COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000018204451 453647536 /nfs/dbraw/zinc/64/75/36/453647536.db2.gz WDYJHTPTUYGCJY-LBPRGKRZSA-N 0 0 344.367 3.032 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccs2)c1C ZINC000021596286 453678763 /nfs/dbraw/zinc/67/87/63/453678763.db2.gz PEOVWRVEDTWVHR-UHFFFAOYSA-N 0 0 335.410 3.400 40 5 EGBBRN CCc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000021596432 453679168 /nfs/dbraw/zinc/67/91/68/453679168.db2.gz GFKGCUSCNUOXIW-UHFFFAOYSA-N 0 0 347.371 3.423 40 5 EGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CCCCCCC2)c1 ZINC000030758244 453837883 /nfs/dbraw/zinc/83/78/83/453837883.db2.gz BKMGSDCNZKMKFG-UHFFFAOYSA-N 0 0 326.418 3.127 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(OCc2nc(Cc3ccccc3)no2)c1 ZINC000031652581 453851004 /nfs/dbraw/zinc/85/10/04/453851004.db2.gz XWSBNGJGYYSJGA-UHFFFAOYSA-N 0 0 325.324 3.456 40 5 EGBBRN O=C(NC[C@H](O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032779477 453890560 /nfs/dbraw/zinc/89/05/60/453890560.db2.gz PSBFQLKBPISYHS-AWEZNQCLSA-N 0 0 335.747 3.103 40 5 EGBBRN CCc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059371669 454258497 /nfs/dbraw/zinc/25/84/97/454258497.db2.gz SVMYAQZHGZFTKA-UHFFFAOYSA-N 0 0 334.397 3.291 40 5 EGBBRN CN1C(=O)[C@H]2C=CC=C[C@@H]2N=C1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000096310117 454318480 /nfs/dbraw/zinc/31/84/80/454318480.db2.gz LIHXCSZPUAXTNN-JQWIXIFHSA-N 0 0 349.799 3.279 40 5 EGBBRN Cc1csc(C(C)(C)NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000096407431 454325646 /nfs/dbraw/zinc/32/56/46/454325646.db2.gz YYUVUWFJJWDNMX-CMDGGOBGSA-N 0 0 331.397 3.424 40 5 EGBBRN Cc1csc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000096430536 454341563 /nfs/dbraw/zinc/34/15/63/454341563.db2.gz LSLJZVXDBGOBOL-UHFFFAOYSA-N 0 0 345.302 3.309 40 5 EGBBRN CCc1nnc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000136354488 454736687 /nfs/dbraw/zinc/73/66/87/454736687.db2.gz PGJQWYXBHSCGKV-UHFFFAOYSA-N 0 0 347.400 3.205 40 5 EGBBRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(OC2CCC2)c1 ZINC000252492481 455813447 /nfs/dbraw/zinc/81/34/47/455813447.db2.gz MNLZDBYFYHPIAF-UHFFFAOYSA-N 0 0 341.367 3.160 40 5 EGBBRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000223186091 456053920 /nfs/dbraw/zinc/05/39/20/456053920.db2.gz WYWFOPKQPBPSKN-LBPRGKRZSA-N 0 0 346.408 3.123 40 5 EGBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(F)cc1 ZINC000224918413 456070922 /nfs/dbraw/zinc/07/09/22/456070922.db2.gz IQLSNIKWNBSWBN-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225026034 456072383 /nfs/dbraw/zinc/07/23/83/456072383.db2.gz SFDNURQKOIMDHH-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN Cc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000225309553 456077414 /nfs/dbraw/zinc/07/74/14/456077414.db2.gz YFHFKXKOOGBGOC-UHFFFAOYSA-N 0 0 348.424 3.203 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)o2)nc1 ZINC000409386369 457598106 /nfs/dbraw/zinc/59/81/06/457598106.db2.gz SRWFBPBIMZOKOF-UHFFFAOYSA-N 0 0 330.325 3.103 40 5 EGBBRN Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)ccc1[N+](=O)[O-] ZINC000052245959 525279424 /nfs/dbraw/zinc/27/94/24/525279424.db2.gz VIFJHSFBCPHCLS-AWEZNQCLSA-N 0 0 342.399 3.135 40 5 EGBBRN CCOC(=O)C1C(=O)c2c(ccc3cc4ccccc4cc23)N1C(C)=O ZINC000003844871 1424787611 /nfs/dbraw/zinc/78/76/11/1424787611.db2.gz KJJIJAASDWFDIC-IBGZPJMESA-N 0 0 347.370 3.474 40 5 EGBBRN COc1cc(OCC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000022259298 202082126 /nfs/dbraw/zinc/08/21/26/202082126.db2.gz XQVOYNHOAWJOAH-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN CC(C)Cc1noc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000025247167 202129022 /nfs/dbraw/zinc/12/90/22/202129022.db2.gz GHWGLEAGWVYXOZ-UHFFFAOYSA-N 0 0 339.735 3.187 40 5 EGBBRN CCOc1cccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1 ZINC000073642362 202369556 /nfs/dbraw/zinc/36/95/56/202369556.db2.gz XSYKZMNRQMNZHD-UHFFFAOYSA-N 0 0 339.351 3.073 40 5 EGBBRN COC(=O)c1cn(C(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc12 ZINC000216960436 241227749 /nfs/dbraw/zinc/22/77/49/241227749.db2.gz BHCDMGXEQSOUID-UHFFFAOYSA-N 0 0 338.319 3.333 40 5 EGBBRN Cc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000021784993 212250485 /nfs/dbraw/zinc/25/04/85/212250485.db2.gz PXLBGHRSOXRAOH-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN CCn1c(C)nnc1Sc1ccc([N+](=O)[O-])cc1Br ZINC000225573504 241932274 /nfs/dbraw/zinc/93/22/74/241932274.db2.gz ARQAEUPSJXJNKM-UHFFFAOYSA-N 0 0 343.206 3.428 40 5 EGBBRN O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091627902 203075194 /nfs/dbraw/zinc/07/51/94/203075194.db2.gz RUMOBEYYJBRCTM-NSHDSACASA-N 0 0 331.351 3.044 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2)ns1 ZINC000048354268 204347710 /nfs/dbraw/zinc/34/77/10/204347710.db2.gz IVNOSPFKWIMRKV-UHFFFAOYSA-N 0 0 340.364 3.295 40 5 EGBBRN CCc1cc([N+](=O)[O-])cc(Br)c1N1CCN(CC)CC1 ZINC000226316035 205125543 /nfs/dbraw/zinc/12/55/43/205125543.db2.gz PQDGTRUZMKKIJX-UHFFFAOYSA-N 0 0 342.237 3.062 40 5 EGBBRN COc1ccc(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1F ZINC000005841760 205783444 /nfs/dbraw/zinc/78/34/44/205783444.db2.gz VYPJCOOPSWILRP-SOFGYWHQSA-N 0 0 331.299 3.499 40 5 EGBBRN Cc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C(C)(C)C)c1[N+](=O)[O-] ZINC000096407635 218758815 /nfs/dbraw/zinc/75/88/15/218758815.db2.gz YWIDKNVIUXBFCT-CYBMUJFWSA-N 0 0 330.388 3.014 40 5 EGBBRN O=[N+]([O-])c1cc(Br)c([N+](=O)[O-])cc1Br ZINC000034616435 285081976 /nfs/dbraw/zinc/08/19/76/285081976.db2.gz QHTZEKUEAHGFIS-UHFFFAOYSA-N 0 0 325.900 3.028 40 5 EGBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000006044217 135673704 /nfs/dbraw/zinc/67/37/04/135673704.db2.gz OORQHQIEULSDNE-UHFFFAOYSA-N 0 0 339.395 3.174 40 5 EGBBRN O=C1CN(c2ccccc2)C(=O)N1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000097102231 323214873 /nfs/dbraw/zinc/21/48/73/323214873.db2.gz JFPALUBFXHZRMN-UHFFFAOYSA-N 0 0 345.742 3.217 40 5 EGBBRN CCc1onc(C)c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000162842564 323223768 /nfs/dbraw/zinc/22/37/68/323223768.db2.gz HALSPRPIMJKMPU-UHFFFAOYSA-N 0 0 341.327 3.096 40 5 EGBBRN Cc1noc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000158004602 455258568 /nfs/dbraw/zinc/25/85/68/455258568.db2.gz HLKBXQWBZHSABO-UHFFFAOYSA-N 0 0 345.359 3.006 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1Cl ZINC000000486855 452605573 /nfs/dbraw/zinc/60/55/73/452605573.db2.gz FZZZTUXGZWESMD-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003383740 452762252 /nfs/dbraw/zinc/76/22/52/452762252.db2.gz ACJUDHRYCHJUOH-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NC1CC1 ZINC000003375930 452763452 /nfs/dbraw/zinc/76/34/52/452763452.db2.gz JGIYOOKNQCCIGO-UHFFFAOYSA-N 0 0 348.431 3.406 40 5 EGBBRN Cc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003514266 452775334 /nfs/dbraw/zinc/77/53/34/452775334.db2.gz KQRFSZHYBZAQRP-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004429046 452805281 /nfs/dbraw/zinc/80/52/81/452805281.db2.gz LZQPFRQJBCMKTR-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN CC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000008055906 453155352 /nfs/dbraw/zinc/15/53/52/453155352.db2.gz PQKIQZSZMDMEOP-UHFFFAOYSA-N 0 0 325.368 3.124 40 5 EGBBRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000008355057 453195515 /nfs/dbraw/zinc/19/55/15/453195515.db2.gz DPJGYZFJPIKJQJ-GFCCVEGCSA-N 0 0 344.367 3.411 40 5 EGBBRN CCc1cccc2c(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c[nH]c21 ZINC000008394537 453200417 /nfs/dbraw/zinc/20/04/17/453200417.db2.gz GNCJKQFKMOSLMY-UHFFFAOYSA-N 0 0 326.356 3.335 40 5 EGBBRN CC(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1 ZINC000009471157 453254062 /nfs/dbraw/zinc/25/40/62/453254062.db2.gz MYTPUPBFBOWWOR-UHFFFAOYSA-N 0 0 335.385 3.109 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCc3sccc3C2)c1C ZINC000010341715 453287247 /nfs/dbraw/zinc/28/72/47/453287247.db2.gz NGPYYOXLPRYNKF-UHFFFAOYSA-N 0 0 345.424 3.270 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1OC ZINC000014006499 453497174 /nfs/dbraw/zinc/49/71/74/453497174.db2.gz VSDYVESVCYWPSJ-LLVKDONJSA-N 0 0 346.339 3.018 40 5 EGBBRN Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)c1ccc(OC(F)F)cc1 ZINC000096409549 454327276 /nfs/dbraw/zinc/32/72/76/454327276.db2.gz GKBQSGQRLIGWTH-ZDUSSCGKSA-N 0 0 339.298 3.045 40 5 EGBBRN COc1ccsc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000096483240 454364898 /nfs/dbraw/zinc/36/48/98/454364898.db2.gz VKAVTIOETNQHKF-UHFFFAOYSA-N 0 0 332.381 3.470 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000106693453 454713031 /nfs/dbraw/zinc/71/30/31/454713031.db2.gz VPLKXDDKJPPIOU-QPEQYQDCSA-N 0 0 346.320 3.187 40 5 EGBBRN CSc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1 ZINC000159665512 455395123 /nfs/dbraw/zinc/39/51/23/455395123.db2.gz HWULDTIQVRPYDR-UHFFFAOYSA-N 0 0 335.410 3.443 40 5 EGBBRN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000223185936 456053811 /nfs/dbraw/zinc/05/38/11/456053811.db2.gz MALJTRGNABYYMS-LBPRGKRZSA-N 0 0 346.408 3.123 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000223382022 456056041 /nfs/dbraw/zinc/05/60/41/456056041.db2.gz FJANDASXVTVOAQ-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN CCN(c1cccc(C)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225002697 456071211 /nfs/dbraw/zinc/07/12/11/456071211.db2.gz LGVBRBZPGQZRFG-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Cl)cc1 ZINC000225072803 456072779 /nfs/dbraw/zinc/07/27/79/456072779.db2.gz UHWBKVCDXVQWGM-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN O=C(Nc1ccccc1F)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000408527905 457580082 /nfs/dbraw/zinc/58/00/82/457580082.db2.gz DCYAJMDCINLVEG-UHFFFAOYSA-N 0 0 338.298 3.443 40 5 EGBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408732481 457588172 /nfs/dbraw/zinc/58/81/72/457588172.db2.gz VORDXGJVZSTZTI-CQSZACIVSA-N 0 0 349.412 3.137 40 5 EGBBRN COCCNc1ccc(C(=O)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000017842597 523963293 /nfs/dbraw/zinc/96/32/93/523963293.db2.gz AEGVWYUDCPGKCF-LLVKDONJSA-N 0 0 349.412 3.206 40 5 EGBBRN CCN(CC)C(=O)[C@H](Oc1ccc(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000006976084 201708574 /nfs/dbraw/zinc/70/85/74/201708574.db2.gz DEAFKYOHMNASLW-MRXNPFEDSA-N 0 0 343.383 3.287 40 5 EGBBRN CCOc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1OC ZINC000008374803 201747041 /nfs/dbraw/zinc/74/70/41/201747041.db2.gz HGDSUUFFGVYXQJ-UHFFFAOYSA-N 0 0 334.357 3.455 40 5 EGBBRN COc1ccccc1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000022525566 202086666 /nfs/dbraw/zinc/08/66/66/202086666.db2.gz HLDSLEMMPFMFLY-FMIVXFBMSA-N 0 0 326.352 3.275 40 5 EGBBRN Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000030857687 202200799 /nfs/dbraw/zinc/20/07/99/202200799.db2.gz HRIPKZBBLIIOFU-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN Cc1nccc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000076721345 202388953 /nfs/dbraw/zinc/38/89/53/202388953.db2.gz BGNPGCPRYBLUOB-UHFFFAOYSA-N 0 0 346.774 3.403 40 5 EGBBRN Cc1nc(C2(NCc3ccc(Cl)c([N+](=O)[O-])c3)CCCC2)no1 ZINC000078394216 202390647 /nfs/dbraw/zinc/39/06/47/202390647.db2.gz DYKGUTFRCFJOJG-UHFFFAOYSA-N 0 0 336.779 3.499 40 5 EGBBRN O=[N+]([O-])c1ccc(N[C@@H](Cn2cncn2)c2ccccc2)c(F)c1 ZINC000078334118 202390659 /nfs/dbraw/zinc/39/06/59/202390659.db2.gz YUCMEYALCIPQIL-INIZCTEOSA-N 0 0 327.319 3.179 40 5 EGBBRN C[C@H](c1ccccn1)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000330033187 201362751 /nfs/dbraw/zinc/36/27/51/201362751.db2.gz XEFDQLYBAFGTCG-CQSZACIVSA-N 0 0 344.390 3.008 40 5 EGBBRN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccsc1 ZINC000195576745 241023114 /nfs/dbraw/zinc/02/31/14/241023114.db2.gz RHOAQUAUTAEUAV-SNVBAGLBSA-N 0 0 340.426 3.275 40 5 EGBBRN CSc1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216328508 241182532 /nfs/dbraw/zinc/18/25/32/241182532.db2.gz ZPTCFCVUSFXONE-UHFFFAOYSA-N 0 0 338.410 3.259 40 5 EGBBRN O=C(NCCCN1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000217864693 241278697 /nfs/dbraw/zinc/27/86/97/241278697.db2.gz YQLJVHWWMODFTN-UHFFFAOYSA-N 0 0 339.395 3.168 40 5 EGBBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000218131338 241299687 /nfs/dbraw/zinc/29/96/87/241299687.db2.gz UZGSLWLXHHRSEO-AWEZNQCLSA-N 0 0 328.368 3.409 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(F)c(C)c1 ZINC000048332601 204345960 /nfs/dbraw/zinc/34/59/60/204345960.db2.gz YSNWNMLIXWVVRG-UHFFFAOYSA-N 0 0 333.319 3.373 40 5 EGBBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1F ZINC000226862915 205160513 /nfs/dbraw/zinc/16/05/13/205160513.db2.gz SRWSCGRGGRTODG-UHFFFAOYSA-N 0 0 330.724 3.188 40 5 EGBBRN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 ZINC000003536539 205666127 /nfs/dbraw/zinc/66/61/27/205666127.db2.gz LBYLOTNVDAQMGJ-UHFFFAOYSA-N 0 0 330.315 3.240 40 5 EGBBRN CS(=O)(=O)c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000005702579 205776560 /nfs/dbraw/zinc/77/65/60/205776560.db2.gz OWEFOVYNISSEMU-UHFFFAOYSA-N 0 0 326.761 3.395 40 5 EGBBRN COC(=O)c1ccc(C)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000003556097 206469299 /nfs/dbraw/zinc/46/92/99/206469299.db2.gz TWXTWSVMOAVJDZ-VQHVLOKHSA-N 0 0 340.335 3.342 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cc3ccccc3o2)c1 ZINC000096417084 218778379 /nfs/dbraw/zinc/77/83/79/218778379.db2.gz CUXDIOBASFRVSV-UHFFFAOYSA-N 0 0 340.335 3.322 40 5 EGBBRN O=C1N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000009641051 296394918 /nfs/dbraw/zinc/39/49/18/296394918.db2.gz VYUPPHPGZZUIOS-CYBMUJFWSA-N 0 0 348.156 3.211 40 5 EGBBRN O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106740444 257865740 /nfs/dbraw/zinc/86/57/40/257865740.db2.gz JKZDRZJDYBAFDW-ZROIWOOFSA-N 0 0 341.348 3.226 40 5 EGBBRN COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)Oc2ccccc2N1C ZINC000005487450 286248781 /nfs/dbraw/zinc/24/87/81/286248781.db2.gz UIMUWQDVRLHOEW-KRWDZBQOSA-N 0 0 326.308 3.192 40 5 EGBBRN CC(C)c1nc2c(n1C)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000276335918 275762247 /nfs/dbraw/zinc/76/22/47/275762247.db2.gz SENUVLLNDLCJQO-UHFFFAOYSA-N 0 0 332.379 3.149 40 5 EGBBRN CCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000070747 452498891 /nfs/dbraw/zinc/49/88/91/452498891.db2.gz GSYGLLMVINPLGH-LFIBNONCSA-N 0 0 338.319 3.338 40 5 EGBBRN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000001943783 452684042 /nfs/dbraw/zinc/68/40/42/452684042.db2.gz JYMOFLKCTYCNSO-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN COC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000003559152 452781156 /nfs/dbraw/zinc/78/11/56/452781156.db2.gz TYUKBJSGWHSVBS-JXMROGBWSA-N 0 0 326.308 3.033 40 5 EGBBRN CCc1cccc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003590826 452783529 /nfs/dbraw/zinc/78/35/29/452783529.db2.gz YSWYOCLOUYULEI-UHFFFAOYSA-N 0 0 342.351 3.261 40 5 EGBBRN Cc1onc(-c2ccccc2)c1C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004704365 452815292 /nfs/dbraw/zinc/81/52/92/452815292.db2.gz UYYQKLFHMYQRSN-UHFFFAOYSA-N 0 0 330.325 3.267 40 5 EGBBRN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000005671969 452893719 /nfs/dbraw/zinc/89/37/19/452893719.db2.gz OXMKRROKJYZERU-UHFFFAOYSA-N 0 0 325.729 3.349 40 5 EGBBRN Cc1c(NC(=O)CCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000012609040 453384398 /nfs/dbraw/zinc/38/43/98/453384398.db2.gz YERSHFFWBMYUHQ-UHFFFAOYSA-N 0 0 328.324 3.203 40 5 EGBBRN CCc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000014219116 453521848 /nfs/dbraw/zinc/52/18/48/453521848.db2.gz JMJLCWOGALZCGU-LBPRGKRZSA-N 0 0 334.397 3.197 40 5 EGBBRN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000018838654 453652427 /nfs/dbraw/zinc/65/24/27/453652427.db2.gz QLQGBEQAFDUDSO-GFCCVEGCSA-N 0 0 342.351 3.165 40 5 EGBBRN Cc1ccccc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000024366799 453732296 /nfs/dbraw/zinc/73/22/96/453732296.db2.gz JRPGJAMKEBOATR-UHFFFAOYSA-N 0 0 340.383 3.257 40 5 EGBBRN O=C(CCOc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1 ZINC000031550653 453849239 /nfs/dbraw/zinc/84/92/39/453849239.db2.gz FXVCPJIXTOGQSU-UHFFFAOYSA-N 0 0 334.759 3.334 40 5 EGBBRN Cc1c(C(=O)NCc2cn3cc(Cl)ccc3n2)cccc1[N+](=O)[O-] ZINC000032902293 453895931 /nfs/dbraw/zinc/89/59/31/453895931.db2.gz KWOWZFNOAHCGNR-UHFFFAOYSA-N 0 0 344.758 3.134 40 5 EGBBRN Cc1nccn1Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000038853965 453942539 /nfs/dbraw/zinc/94/25/39/453942539.db2.gz DIHUCTLEOFGDBQ-UHFFFAOYSA-N 0 0 336.351 3.400 40 5 EGBBRN Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000058008428 454160842 /nfs/dbraw/zinc/16/08/42/454160842.db2.gz VSDBYJZRSDAVGX-INIZCTEOSA-N 0 0 325.368 3.463 40 5 EGBBRN O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)Oc2ccccc21 ZINC000059488787 454260877 /nfs/dbraw/zinc/26/08/77/454260877.db2.gz IHQQYRYOBFELTF-GOSISDBHSA-N 0 0 339.351 3.016 40 5 EGBBRN CCS(=O)(=O)c1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000096427549 454340181 /nfs/dbraw/zinc/34/01/81/454340181.db2.gz KUVDVWSOBDWJKJ-UHFFFAOYSA-N 0 0 326.399 3.062 40 5 EGBBRN Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sc1C ZINC000097095564 454404982 /nfs/dbraw/zinc/40/49/82/454404982.db2.gz UDAYHRNCALGJCY-UHFFFAOYSA-N 0 0 325.777 3.252 40 5 EGBBRN Cc1ccccc1N1C(=O)C(=Cc2csc([N+](=O)[O-])c2)NC1=S ZINC000104236559 454578966 /nfs/dbraw/zinc/57/89/66/454578966.db2.gz BXPIUSUPQUQNCK-IZZDOVSWSA-N 0 0 345.405 3.227 40 5 EGBBRN O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)N1CCCCC1 ZINC000107883250 454775155 /nfs/dbraw/zinc/77/51/55/454775155.db2.gz GKALHHRQKZLYSN-BQYQJAHWSA-N 0 0 338.367 3.078 40 5 EGBBRN COC(=O)c1cc(Oc2ncnc3c(F)cccc23)ccc1[N+](=O)[O-] ZINC000192311408 455589848 /nfs/dbraw/zinc/58/98/48/455589848.db2.gz UBYCKELOHBFRHV-UHFFFAOYSA-N 0 0 343.270 3.256 40 5 EGBBRN O=[N+]([O-])C[C@@H](c1c(Cl)cccc1Cl)n1nc2c(n1)CCCC2 ZINC000255189000 455862639 /nfs/dbraw/zinc/86/26/39/455862639.db2.gz NAHZSWAFYSXJCM-ZDUSSCGKSA-N 0 0 341.198 3.330 40 5 EGBBRN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224764635 456069489 /nfs/dbraw/zinc/06/94/89/456069489.db2.gz RDVUIEWUANDEBP-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CCc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)s1 ZINC000225534457 456090453 /nfs/dbraw/zinc/09/04/53/456090453.db2.gz KVYHFTIRSDDHLU-UHFFFAOYSA-N 0 0 340.426 3.234 40 5 EGBBRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000390833179 457446242 /nfs/dbraw/zinc/44/62/42/457446242.db2.gz DDUDRXSSZWVJEI-UHFFFAOYSA-N 0 0 346.314 3.471 40 5 EGBBRN O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCSCC1 ZINC000408975449 457590896 /nfs/dbraw/zinc/59/08/96/457590896.db2.gz KLAQVZXQBXAOHN-UHFFFAOYSA-N 0 0 348.431 3.453 40 5 EGBBRN COc1ccc(CC(=O)Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000409392520 457598115 /nfs/dbraw/zinc/59/81/15/457598115.db2.gz PZVKNJWRDLQINT-UHFFFAOYSA-N 0 0 343.364 3.341 40 5 EGBBRN COc1ccccc1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000217887522 537030435 /nfs/dbraw/zinc/03/04/35/537030435.db2.gz QVGKWXSBEDGDMD-VAWYXSNFSA-N 0 0 340.379 3.366 40 5 EGBBRN COc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004071314 210112848 /nfs/dbraw/zinc/11/28/48/210112848.db2.gz QAZCRZZZEVWDRH-JXMROGBWSA-N 0 0 328.324 3.264 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000015139584 201951148 /nfs/dbraw/zinc/95/11/48/201951148.db2.gz LBDRXKZYTOIPEA-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1C(C)C ZINC000020033774 202028777 /nfs/dbraw/zinc/02/87/77/202028777.db2.gz XFHIFEVQNRKEJP-UHFFFAOYSA-N 0 0 334.401 3.305 40 5 EGBBRN O=C(NCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000022479958 202085597 /nfs/dbraw/zinc/08/55/97/202085597.db2.gz VHGNBLOPXANOIM-UHFFFAOYSA-N 0 0 338.722 3.196 40 5 EGBBRN COc1ccc(CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000021912766 202074369 /nfs/dbraw/zinc/07/43/69/202074369.db2.gz UYXMQVPECFBXSK-UHFFFAOYSA-N 0 0 344.367 3.193 40 5 EGBBRN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000024892203 202123292 /nfs/dbraw/zinc/12/32/92/202123292.db2.gz JLGLSMQNVXMGDZ-UHFFFAOYSA-N 0 0 348.322 3.114 40 5 EGBBRN CN(CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000030014716 212689155 /nfs/dbraw/zinc/68/91/55/212689155.db2.gz SVDWFVYVERTTQZ-JLHYYAGUSA-N 0 0 339.395 3.251 40 5 EGBBRN C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020854175 201370979 /nfs/dbraw/zinc/37/09/79/201370979.db2.gz AAQYOWGCNQFTSC-MGCXLJFFSA-N 0 0 338.747 3.251 40 5 EGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccccc2Cl)c1 ZINC000216398145 241189426 /nfs/dbraw/zinc/18/94/26/241189426.db2.gz ACCRGSWEMCZQTQ-UHFFFAOYSA-N 0 0 326.761 3.190 40 5 EGBBRN Cc1c(C=O)c2ccccc2n1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000216934764 241225333 /nfs/dbraw/zinc/22/53/33/241225333.db2.gz IYUKOYLNMOEYFQ-UHFFFAOYSA-N 0 0 338.319 3.390 40 5 EGBBRN CC(C)(C)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000223735839 241684524 /nfs/dbraw/zinc/68/45/24/241684524.db2.gz QFZAYNMDWMRXQO-UHFFFAOYSA-N 0 0 348.424 3.371 40 5 EGBBRN COC(=O)c1ccccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991307 242083351 /nfs/dbraw/zinc/08/33/51/242083351.db2.gz JTESOOOZKGWIQI-UHFFFAOYSA-N 0 0 340.335 3.052 40 5 EGBBRN Cc1cccc2c1[nH]c(=O)c1cc(NC(=O)c3ccccc3)c(=O)oc12 ZINC000003844354 201582432 /nfs/dbraw/zinc/58/24/32/201582432.db2.gz INNFEOPXQISNMR-UHFFFAOYSA-N 0 0 346.342 3.195 40 5 EGBBRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccncc1F ZINC000091964020 203077854 /nfs/dbraw/zinc/07/78/54/203077854.db2.gz FXAOTITUNHINKO-UHFFFAOYSA-N 0 0 340.108 3.144 40 5 EGBBRN O=C(c1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000072414107 203218963 /nfs/dbraw/zinc/21/89/63/203218963.db2.gz CORGAACJQKGLPE-UHFFFAOYSA-N 0 0 338.279 3.124 40 5 EGBBRN C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005617299 205779571 /nfs/dbraw/zinc/77/95/71/205779571.db2.gz PBZDNZSLMPNMGL-LBPRGKRZSA-N 0 0 334.372 3.435 40 5 EGBBRN Cc1cc(CNc2c(F)cc([N+](=O)[O-])cc2Br)no1 ZINC000096429243 218802159 /nfs/dbraw/zinc/80/21/59/218802159.db2.gz YISDDCZRZTWOAF-UHFFFAOYSA-N 0 0 330.113 3.405 40 5 EGBBRN COC[C@@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408563509 257896798 /nfs/dbraw/zinc/89/67/98/257896798.db2.gz NTXLTPSGJGVQSM-CRRKTRLDSA-N 0 0 340.379 3.287 40 5 EGBBRN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000253417071 280359218 /nfs/dbraw/zinc/35/92/18/280359218.db2.gz MEHYCQCXJWMNBP-CHWSQXEVSA-N 0 0 337.738 3.095 40 5 EGBBRN Cc1cnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000009747357 281617184 /nfs/dbraw/zinc/61/71/84/281617184.db2.gz MNFKCZWTZHGAIC-UHFFFAOYSA-N 0 0 346.412 3.215 40 5 EGBBRN Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000000930635 282071522 /nfs/dbraw/zinc/07/15/22/282071522.db2.gz WYQKJNYZIHBLLC-UHFFFAOYSA-N 0 0 329.743 3.315 40 5 EGBBRN Cc1cc(C)cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003383824 452762266 /nfs/dbraw/zinc/76/22/66/452762266.db2.gz SKCGBJMNBGIIDS-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccccc2)S3)cc1 ZINC000003843208 452785267 /nfs/dbraw/zinc/78/52/67/452785267.db2.gz MXEGKNOWKNXKRT-AWEZNQCLSA-N 0 0 325.353 3.201 40 5 EGBBRN O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccccc1[N+](=O)[O-] ZINC000004742294 452816976 /nfs/dbraw/zinc/81/69/76/452816976.db2.gz OZAFAASCQFELKO-HXUWFJFHSA-N 0 0 346.342 3.449 40 5 EGBBRN Cc1c2ccccc2c(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])c2ccccc12 ZINC000005063093 452833250 /nfs/dbraw/zinc/83/32/50/452833250.db2.gz HASDZSSCHARPTG-JLTOFOAXSA-N 0 0 335.403 3.321 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1Cl ZINC000005059341 452833445 /nfs/dbraw/zinc/83/34/45/452833445.db2.gz NPDOLQLOWIVUCR-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(N3CCCCC3)n2)cc1 ZINC000005338127 452860097 /nfs/dbraw/zinc/86/00/97/452860097.db2.gz NQVHIZVPBFAYQS-UHFFFAOYSA-N 0 0 334.767 3.167 40 5 EGBBRN COc1ccc(C(=O)Oc2ccc(/C=C\[N+](=O)[O-])cc2OC)cc1 ZINC000006090576 452920169 /nfs/dbraw/zinc/92/01/69/452920169.db2.gz HWZIIEHAKJWHCE-KTKRTIGZSA-N 0 0 329.308 3.170 40 5 EGBBRN CCCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006323168 452934608 /nfs/dbraw/zinc/93/46/08/452934608.db2.gz JUYZRKWCDMAIQA-UHFFFAOYSA-N 0 0 341.367 3.377 40 5 EGBBRN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000006914348 453005732 /nfs/dbraw/zinc/00/57/32/453005732.db2.gz NQLIRFYJVANNTJ-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000007375314 453065856 /nfs/dbraw/zinc/06/58/56/453065856.db2.gz LZUUNQDDLZILLS-UHFFFAOYSA-N 0 0 340.788 3.035 40 5 EGBBRN O=C1NC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)S1 ZINC000008672964 453222667 /nfs/dbraw/zinc/22/26/67/453222667.db2.gz BIJGFMMTEHNIPL-GHXNOFRVSA-N 0 0 343.320 3.106 40 5 EGBBRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000012777062 453402010 /nfs/dbraw/zinc/40/20/10/453402010.db2.gz QHBQAOYSMZXKLJ-YYUOZPCZSA-N 0 0 346.408 3.165 40 5 EGBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000016431396 453605895 /nfs/dbraw/zinc/60/58/95/453605895.db2.gz HDHPJVSKCTZYAE-UHFFFAOYSA-N 0 0 344.308 3.343 40 5 EGBBRN CC(C)NC(=O)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000024546843 453737383 /nfs/dbraw/zinc/73/73/83/453737383.db2.gz FVRXNFLYFCVQIK-UHFFFAOYSA-N 0 0 342.355 3.377 40 5 EGBBRN Cc1ccc([C@@H]2CSCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000081347693 453863616 /nfs/dbraw/zinc/86/36/16/453863616.db2.gz NSGGXVRYZQLKAA-HNNXBMFYSA-N 0 0 346.408 3.355 40 5 EGBBRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000033183938 453909845 /nfs/dbraw/zinc/90/98/45/453909845.db2.gz LNFSQKVCCJKVNW-VXGBXAGGSA-N 0 0 336.388 3.311 40 5 EGBBRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055675431 454005339 /nfs/dbraw/zinc/00/53/39/454005339.db2.gz BKHCWMKXICTREN-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CC(C)(NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000058440577 454204760 /nfs/dbraw/zinc/20/47/60/454204760.db2.gz ZICJPKUVSPFRBC-UHFFFAOYSA-N 0 0 343.339 3.380 40 5 EGBBRN O=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059475108 454259840 /nfs/dbraw/zinc/25/98/40/454259840.db2.gz ABDDWHXVGIAAQG-UHFFFAOYSA-N 0 0 333.727 3.217 40 5 EGBBRN Cc1cnc(CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000096484635 454366788 /nfs/dbraw/zinc/36/67/88/454366788.db2.gz MPFDQHLEYKNMKW-UHFFFAOYSA-N 0 0 339.804 3.328 40 5 EGBBRN O=[N+]([O-])c1ccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nc1 ZINC000253419164 455843583 /nfs/dbraw/zinc/84/35/83/455843583.db2.gz BDZDAIQRUKNYPA-LLVKDONJSA-N 0 0 341.293 3.047 40 5 EGBBRN O=[N+]([O-])c1ccc(NC(=S)NCCCc2ccc(F)cc2)nc1 ZINC000223965370 456063077 /nfs/dbraw/zinc/06/30/77/456063077.db2.gz LSKKQKQHLRHPRT-UHFFFAOYSA-N 0 0 334.376 3.048 40 5 EGBBRN CCc1ccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000224748780 456070030 /nfs/dbraw/zinc/07/00/30/456070030.db2.gz GWXAKOQNXOZUAT-UHFFFAOYSA-N 0 0 334.397 3.372 40 5 EGBBRN CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224742838 456070115 /nfs/dbraw/zinc/07/01/15/456070115.db2.gz ZDKRRQDJZNPEOB-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000390834193 457446614 /nfs/dbraw/zinc/44/66/14/457446614.db2.gz UKKGFARIGUBIJA-ZDUSSCGKSA-N 0 0 342.399 3.343 40 5 EGBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1O ZINC000408543814 457580822 /nfs/dbraw/zinc/58/08/22/457580822.db2.gz RASQXYNGJBHBDY-UHFFFAOYSA-N 0 0 339.760 3.080 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(O)cc2C)c1 ZINC000390834207 526064615 /nfs/dbraw/zinc/06/46/15/526064615.db2.gz UOLWIHXWGPTLLF-UHFFFAOYSA-N 0 0 330.340 3.325 40 5 EGBBRN CCOc1cc(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)ccc1O ZINC000098005524 219068260 /nfs/dbraw/zinc/06/82/60/219068260.db2.gz OSQBCLBILDIOTB-NTUHNPAUSA-N 0 0 326.308 3.192 40 5 EGBBRN CC[C@@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000189791136 529664363 /nfs/dbraw/zinc/66/43/63/529664363.db2.gz WTVQNVFOJOZUBV-CYBMUJFWSA-N 0 0 347.371 3.398 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000013619070 201903603 /nfs/dbraw/zinc/90/36/03/201903603.db2.gz RLDAUDUJWBSJQT-KRWDZBQOSA-N 0 0 342.351 3.405 40 5 EGBBRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000014219332 201932821 /nfs/dbraw/zinc/93/28/21/201932821.db2.gz ALBWNEASWPWTNF-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000022259379 202081823 /nfs/dbraw/zinc/08/18/23/202081823.db2.gz GPWIGAMDXBOYSU-UHFFFAOYSA-N 0 0 346.339 3.020 40 5 EGBBRN Cc1sc(C(=O)NCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000040106981 202169623 /nfs/dbraw/zinc/16/96/23/202169623.db2.gz SSRZCVXXBUKPMY-UHFFFAOYSA-N 0 0 342.380 3.080 40 5 EGBBRN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098641 202169571 /nfs/dbraw/zinc/16/95/71/202169571.db2.gz XZOANUPGUPICKN-UHFFFAOYSA-N 0 0 349.730 3.299 40 5 EGBBRN O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NCC1CCCCC1 ZINC000040115095 202171733 /nfs/dbraw/zinc/17/17/33/202171733.db2.gz OQVQVEUXBUIDJH-UHFFFAOYSA-N 0 0 330.388 3.031 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1ccnc1 ZINC000030854839 202199273 /nfs/dbraw/zinc/19/92/73/202199273.db2.gz KYKVSFCQRRXRTK-CMDGGOBGSA-N 0 0 348.362 3.110 40 5 EGBBRN Cc1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000153806746 201394762 /nfs/dbraw/zinc/39/47/62/201394762.db2.gz QCVADELPLDYCCD-HNNXBMFYSA-N 0 0 329.360 3.385 40 5 EGBBRN Cc1c(CO)c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000216939753 241225864 /nfs/dbraw/zinc/22/58/64/241225864.db2.gz FECFSWGHTDKBDR-UHFFFAOYSA-N 0 0 340.335 3.069 40 5 EGBBRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000223186024 241611246 /nfs/dbraw/zinc/61/12/46/241611246.db2.gz WYWFOPKQPBPSKN-GFCCVEGCSA-N 0 0 346.408 3.123 40 5 EGBBRN CCOC(=O)c1cnc(SC)nc1Nc1cccc([N+](=O)[O-])c1 ZINC000001644787 201515213 /nfs/dbraw/zinc/51/52/13/201515213.db2.gz NGSNDIIKZCFLHZ-UHFFFAOYSA-N 0 0 334.357 3.027 40 5 EGBBRN O=[N+]([O-])c1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 ZINC000003843119 201581463 /nfs/dbraw/zinc/58/14/63/201581463.db2.gz LWCPNBUWBVFJOI-AWEZNQCLSA-N 0 0 325.353 3.201 40 5 EGBBRN COc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1OC ZINC000072228732 203183865 /nfs/dbraw/zinc/18/38/65/203183865.db2.gz YXVMTMGVRKMEHB-UHFFFAOYSA-N 0 0 330.340 3.481 40 5 EGBBRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000096433164 218809486 /nfs/dbraw/zinc/80/94/86/218809486.db2.gz IRSRZHHAKCTHEP-DOMZBBRYSA-N 0 0 346.387 3.083 40 5 EGBBRN Cc1nn(C)c(C(=O)N2CCC[C@@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC000097374586 279187757 /nfs/dbraw/zinc/18/77/57/279187757.db2.gz XRDOSTMHPGCQIA-LLVKDONJSA-N 0 0 328.372 3.181 40 5 EGBBRN O=[N+]([O-])c1cccc(CNc2nnc(Cc3ccccc3F)o2)c1 ZINC000097231711 323215049 /nfs/dbraw/zinc/21/50/49/323215049.db2.gz FCLNXQAZSYRCQS-UHFFFAOYSA-N 0 0 328.303 3.320 40 5 EGBBRN Cc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000097235548 323215152 /nfs/dbraw/zinc/21/51/52/323215152.db2.gz GQKKOVMZWJLSIE-UHFFFAOYSA-N 0 0 334.397 3.227 40 5 EGBBRN Cc1ccc(C(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000390833170 324283282 /nfs/dbraw/zinc/28/32/82/324283282.db2.gz DAQGYHQWALVOGH-UHFFFAOYSA-N 0 0 327.384 3.282 40 5 EGBBRN CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000003590626 452783213 /nfs/dbraw/zinc/78/32/13/452783213.db2.gz ALTUIRALYBIGSD-UHFFFAOYSA-N 0 0 346.339 3.073 40 5 EGBBRN COc1ccc(NC(=O)CSc2ccccc2F)c([N+](=O)[O-])c1 ZINC000005077834 452836061 /nfs/dbraw/zinc/83/60/61/452836061.db2.gz XNZYBRQVRRQXIM-UHFFFAOYSA-N 0 0 336.344 3.473 40 5 EGBBRN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000005380802 452864376 /nfs/dbraw/zinc/86/43/76/452864376.db2.gz APVAADROWVDSFI-UHFFFAOYSA-N 0 0 334.397 3.194 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccccn1 ZINC000007699240 453106456 /nfs/dbraw/zinc/10/64/56/453106456.db2.gz SRBZAUYBSXGMPR-JTQLQIEISA-N 0 0 333.369 3.118 40 5 EGBBRN O=C(CNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 ZINC000008194512 453175330 /nfs/dbraw/zinc/17/53/30/453175330.db2.gz KEXZRMCKWSUFQR-QGZVFWFLSA-N 0 0 325.368 3.201 40 5 EGBBRN CCn1c(C)cc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000008329697 453193626 /nfs/dbraw/zinc/19/36/26/453193626.db2.gz HPAAUKUFDBBPCN-UHFFFAOYSA-N 0 0 330.340 3.073 40 5 EGBBRN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000010543924 453295926 /nfs/dbraw/zinc/29/59/26/453295926.db2.gz YYUDSZGFMHWKEH-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN COCCNc1ccc(C(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000017842596 453638533 /nfs/dbraw/zinc/63/85/33/453638533.db2.gz AEGVWYUDCPGKCF-NSHDSACASA-N 0 0 349.412 3.206 40 5 EGBBRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000031546648 453848742 /nfs/dbraw/zinc/84/87/42/453848742.db2.gz COEYMPRWRIOEAZ-BDJLRTHQSA-N 0 0 339.351 3.442 40 5 EGBBRN Cc1sc(C(=O)NCCOc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000036396901 453927823 /nfs/dbraw/zinc/92/78/23/453927823.db2.gz WNCHMEJFVKNTPN-UHFFFAOYSA-N 0 0 340.788 3.427 40 5 EGBBRN COc1ccc([C@@H]2SCC(=O)N2Nc2ccccc2)cc1[N+](=O)[O-] ZINC000039377175 453943377 /nfs/dbraw/zinc/94/33/77/453943377.db2.gz QCVMAMUQUIPXBM-INIZCTEOSA-N 0 0 345.380 3.205 40 5 EGBBRN CC(C)(C)OC(=O)N1CC[C@@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000085333740 454023219 /nfs/dbraw/zinc/02/32/19/454023219.db2.gz SRAPSCLBDMIDGH-SNVBAGLBSA-N 0 0 325.390 3.091 40 5 EGBBRN Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000058008430 454160641 /nfs/dbraw/zinc/16/06/41/454160641.db2.gz VSDBYJZRSDAVGX-MRXNPFEDSA-N 0 0 325.368 3.463 40 5 EGBBRN O=C(NC1CC1)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000058159208 454166685 /nfs/dbraw/zinc/16/66/85/454166685.db2.gz IBEHVFQQLCMDNG-UHFFFAOYSA-N 0 0 329.331 3.238 40 5 EGBBRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC000120028743 454249578 /nfs/dbraw/zinc/24/95/78/454249578.db2.gz OACZQRVCCVWQOF-SWLSCSKDSA-N 0 0 347.371 3.438 40 5 EGBBRN O=C(NCCc1cscn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080122467 454537101 /nfs/dbraw/zinc/53/71/01/454537101.db2.gz OTYCKABFMAYRCR-UHFFFAOYSA-N 0 0 345.302 3.043 40 5 EGBBRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080507428 454591795 /nfs/dbraw/zinc/59/17/95/454591795.db2.gz CDUKJPPRQQWLIS-UHFFFAOYSA-N 0 0 345.302 3.342 40 5 EGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000162720481 454795918 /nfs/dbraw/zinc/79/59/18/454795918.db2.gz ZOPBGEAMTCCCKQ-UHFFFAOYSA-N 0 0 338.323 3.002 40 5 EGBBRN O=[N+]([O-])c1c(F)cccc1N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000153982032 454853917 /nfs/dbraw/zinc/85/39/17/454853917.db2.gz XJYLHKLBDOZGLN-PBHICJAKSA-N 0 0 346.358 3.063 40 5 EGBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1C ZINC000117227232 455082241 /nfs/dbraw/zinc/08/22/41/455082241.db2.gz AAXKXBLETMRXDN-UHFFFAOYSA-N 0 0 336.369 3.021 40 5 EGBBRN CCc1cc([N+](=O)[O-])c(N2CCC[C@H](c3nncn3C)C2)cc1Cl ZINC000252509141 455817647 /nfs/dbraw/zinc/81/76/47/455817647.db2.gz YCZPARGUWNBUHI-LBPRGKRZSA-N 0 0 349.822 3.323 40 5 EGBBRN CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223975818 456062993 /nfs/dbraw/zinc/06/29/93/456062993.db2.gz HAZZWPFSGHHYFN-CYBMUJFWSA-N 0 0 328.434 3.398 40 5 EGBBRN Cc1ccc(C)c(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000223976615 456063124 /nfs/dbraw/zinc/06/31/24/456063124.db2.gz KWYCQMANYBSJJJ-CMDGGOBGSA-N 0 0 340.379 3.420 40 5 EGBBRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000224274786 456065445 /nfs/dbraw/zinc/06/54/45/456065445.db2.gz BPSQGHUXWFIBNC-UHFFFAOYSA-N 0 0 348.424 3.198 40 5 EGBBRN O=C(Nc1ccc(CNc2ncccc2[N+](=O)[O-])cc1)c1cccnc1 ZINC000301133606 456804597 /nfs/dbraw/zinc/80/45/97/456804597.db2.gz VTSJAJOILWBGEG-UHFFFAOYSA-N 0 0 349.350 3.249 40 5 EGBBRN CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2ncon2)cc1[N+](=O)[O-] ZINC000187752167 528062362 /nfs/dbraw/zinc/06/23/62/528062362.db2.gz KMIMSBLWYHIXDR-AWEZNQCLSA-N 0 0 344.371 3.469 40 5 EGBBRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000217863302 535880603 /nfs/dbraw/zinc/88/06/03/535880603.db2.gz ZFBDTTVAHPDIGP-HNNXBMFYSA-N 0 0 344.367 3.493 40 5 EGBBRN O=C1NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000195783769 564124255 /nfs/dbraw/zinc/12/42/55/564124255.db2.gz OICCYDNIOIEXDL-NTEUORMPSA-N 0 0 343.726 3.346 40 5 EGBBRN CC(C)OCc1cccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000053800159 214198949 /nfs/dbraw/zinc/19/89/49/214198949.db2.gz WGQPOFUDAXHKCC-UHFFFAOYSA-N 0 0 343.383 3.032 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2noc(CN3CCOc4ccccc43)n2)cc1 ZINC000058016403 214472811 /nfs/dbraw/zinc/47/28/11/214472811.db2.gz RYTJWQNQPGCTCA-UHFFFAOYSA-N 0 0 338.323 3.044 40 5 EGBBRN CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000014219708 201933161 /nfs/dbraw/zinc/93/31/61/201933161.db2.gz VREMFOJDOHWWKB-MRXNPFEDSA-N 0 0 334.397 3.333 40 5 EGBBRN Cc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000037369145 201969739 /nfs/dbraw/zinc/96/97/39/201969739.db2.gz CHAKPIUZLFQJNQ-UHFFFAOYSA-N 0 0 338.161 3.257 40 5 EGBBRN CC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000019933533 202026542 /nfs/dbraw/zinc/02/65/42/202026542.db2.gz XATPHQRTPNLUSV-OAHLLOKOSA-N 0 0 334.397 3.333 40 5 EGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000020110367 202033296 /nfs/dbraw/zinc/03/32/96/202033296.db2.gz RPGCXANVLLJAII-KRWDZBQOSA-N 0 0 346.408 3.092 40 5 EGBBRN COc1ccc(OC)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000020447902 202043037 /nfs/dbraw/zinc/04/30/37/202043037.db2.gz CJLQOJRPFCULBS-UHFFFAOYSA-N 0 0 330.340 3.102 40 5 EGBBRN Cc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000218159821 241301702 /nfs/dbraw/zinc/30/17/02/241301702.db2.gz VYEWHJOJRYUHCG-AWEZNQCLSA-N 0 0 328.368 3.029 40 5 EGBBRN Cc1cc(C)c(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000225033248 241789243 /nfs/dbraw/zinc/78/92/43/241789243.db2.gz VHSNOHZHSOXNIL-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1sccc1Cl ZINC000242346972 243019134 /nfs/dbraw/zinc/01/91/34/243019134.db2.gz ZKSGGXJRSYRIPH-UHFFFAOYSA-N 0 0 349.593 3.282 40 5 EGBBRN O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091627903 203075263 /nfs/dbraw/zinc/07/52/63/203075263.db2.gz RUMOBEYYJBRCTM-LLVKDONJSA-N 0 0 331.351 3.044 40 5 EGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000003217265 205643148 /nfs/dbraw/zinc/64/31/48/205643148.db2.gz UDEXBMURHJLCSV-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000005054417 205748663 /nfs/dbraw/zinc/74/86/63/205748663.db2.gz LKEVHLFPWQLTCO-UHFFFAOYSA-N 0 0 344.805 3.139 40 5 EGBBRN Cc1cc(C)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000176960690 207277929 /nfs/dbraw/zinc/27/79/29/207277929.db2.gz VNXXELSMRJCAQS-UHFFFAOYSA-N 0 0 344.367 3.488 40 5 EGBBRN O=c1oc2nc3ccc(Cl)cc3c(=O)n2c2ccc(Cl)cc12 ZINC000001565055 285229953 /nfs/dbraw/zinc/22/99/53/285229953.db2.gz OCECBFKXWFKSFN-UHFFFAOYSA-N 0 0 333.130 3.261 40 5 EGBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006205974 257866766 /nfs/dbraw/zinc/86/67/66/257866766.db2.gz CBUIBZMHMWJDMW-CQSZACIVSA-N 0 0 345.380 3.363 40 5 EGBBRN COc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000005921586 257867158 /nfs/dbraw/zinc/86/71/58/257867158.db2.gz KUMJWFHYUZEHJU-UHFFFAOYSA-N 0 0 330.340 3.102 40 5 EGBBRN C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000015173802 277915595 /nfs/dbraw/zinc/91/55/95/277915595.db2.gz XYKCRPWCZWKBME-OKILXGFUSA-N 0 0 340.379 3.439 40 5 EGBBRN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000245471 452546310 /nfs/dbraw/zinc/54/63/10/452546310.db2.gz PRZJAGSJLBKGJG-INIZCTEOSA-N 0 0 345.742 3.487 40 5 EGBBRN CCOc1ccc2ccccc2c1[C@@H]1NC(=O)N(C)C(C)=C1[N+](=O)[O-] ZINC000000358553 452570778 /nfs/dbraw/zinc/57/07/78/452570778.db2.gz RNSDNURFLGBCHP-INIZCTEOSA-N 0 0 341.367 3.443 40 5 EGBBRN Cc1ccccc1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000003403463 452765838 /nfs/dbraw/zinc/76/58/38/452765838.db2.gz GTVHJXSVGVQRER-UHFFFAOYSA-N 0 0 327.384 3.282 40 5 EGBBRN O=C(CSc1ccccc1[N+](=O)[O-])OCC(F)(F)C(F)F ZINC000005869090 452908193 /nfs/dbraw/zinc/90/81/93/452908193.db2.gz BUAXLMWRBULZMT-UHFFFAOYSA-N 0 0 327.255 3.131 40 5 EGBBRN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006236774 452926446 /nfs/dbraw/zinc/92/64/46/452926446.db2.gz UOFDOXJPKOUALH-ARFHVFGLSA-N 0 0 343.427 3.070 40 5 EGBBRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000007218126 453047025 /nfs/dbraw/zinc/04/70/25/453047025.db2.gz QFNCRNZEBPEUIS-LLVKDONJSA-N 0 0 338.360 3.082 40 5 EGBBRN CC(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000008055713 453155709 /nfs/dbraw/zinc/15/57/09/453155709.db2.gz LXKPTUVPVPSTTC-UHFFFAOYSA-N 0 0 341.433 3.026 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000015411213 453571842 /nfs/dbraw/zinc/57/18/42/453571842.db2.gz WGRHHSYHQXANAK-UHFFFAOYSA-N 0 0 339.351 3.282 40 5 EGBBRN O=C(CN1CCCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000016740494 453621217 /nfs/dbraw/zinc/62/12/17/453621217.db2.gz RDYFUEUJMYJNQC-UHFFFAOYSA-N 0 0 334.401 3.019 40 5 EGBBRN CCc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000021596425 453679232 /nfs/dbraw/zinc/67/92/32/453679232.db2.gz DVRHDTBSURGWKL-UHFFFAOYSA-N 0 0 329.381 3.284 40 5 EGBBRN Cc1ccccc1[C@@H](C)NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000024282389 453729836 /nfs/dbraw/zinc/72/98/36/453729836.db2.gz UJPHIATYKRJIDB-GFCCVEGCSA-N 0 0 332.331 3.299 40 5 EGBBRN COc1cccc(CCC(=O)OCc2cccc([N+](=O)[O-])c2)c1OC ZINC000024350993 453731012 /nfs/dbraw/zinc/73/10/12/453731012.db2.gz XSRKJLWMWIKRDF-UHFFFAOYSA-N 0 0 345.351 3.288 40 5 EGBBRN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000026459596 453800839 /nfs/dbraw/zinc/80/08/39/453800839.db2.gz YMOQYPMNZLSMAZ-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CC(=O)c1ccc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000028936634 453825671 /nfs/dbraw/zinc/82/56/71/453825671.db2.gz MIDBJZUUDSZCTC-STQMWFEESA-N 0 0 349.431 3.097 40 5 EGBBRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(Br)c1 ZINC000037009247 453932426 /nfs/dbraw/zinc/93/24/26/453932426.db2.gz QODGAQZEZFDVMH-UHFFFAOYSA-N 0 0 338.161 3.257 40 5 EGBBRN O=C(CCOc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cl)c1 ZINC000058162577 454166986 /nfs/dbraw/zinc/16/69/86/454166986.db2.gz PYVPJDJXKRIHMI-UHFFFAOYSA-N 0 0 334.759 3.334 40 5 EGBBRN Cc1ncsc1CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000078878067 454331594 /nfs/dbraw/zinc/33/15/94/454331594.db2.gz CAFRCQDLMXCACB-UHFFFAOYSA-N 0 0 325.777 3.285 40 5 EGBBRN COc1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cc2sc(=O)oc21 ZINC000096460612 454359556 /nfs/dbraw/zinc/35/95/56/454359556.db2.gz IZQSFBCXHYTEQC-NSCUHMNNSA-N 0 0 330.321 3.337 40 5 EGBBRN Cc1ccccc1[C@H](O)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000096475372 454362518 /nfs/dbraw/zinc/36/25/18/454362518.db2.gz GHTHSEAETSPBOL-OAHLLOKOSA-N 0 0 334.759 3.020 40 5 EGBBRN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000062865442 454385727 /nfs/dbraw/zinc/38/57/27/454385727.db2.gz SQHRNBZODSRURY-LLVKDONJSA-N 0 0 346.314 3.343 40 5 EGBBRN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000152651115 454706017 /nfs/dbraw/zinc/70/60/17/454706017.db2.gz VROLFJNNPYWZQA-UHFFFAOYSA-N 0 0 336.369 3.021 40 5 EGBBRN Cc1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C ZINC000223376836 456055990 /nfs/dbraw/zinc/05/59/90/456055990.db2.gz DMRJNJGYYSTUHU-VQHVLOKHSA-N 0 0 340.379 3.420 40 5 EGBBRN CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000224692422 456068781 /nfs/dbraw/zinc/06/87/81/456068781.db2.gz IPKSISGPLLWADB-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CCC1=N/C(=C\c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)O1 ZINC000408999839 457591307 /nfs/dbraw/zinc/59/13/07/457591307.db2.gz XVAXLRAXSFUZRW-DHDCSXOGSA-N 0 0 340.339 3.104 40 5 EGBBRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000253393233 527601429 /nfs/dbraw/zinc/60/14/29/527601429.db2.gz WWDRPRFULAUEEF-VGPLMAKISA-N 0 0 347.806 3.292 40 5 EGBBRN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000014219415 201932966 /nfs/dbraw/zinc/93/29/66/201932966.db2.gz JKMAPDQLFJTGAZ-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN Cc1nn(C)c2sc(C(=O)OCc3ccccc3[N+](=O)[O-])cc12 ZINC000022286179 202082632 /nfs/dbraw/zinc/08/26/32/202082632.db2.gz MTAGVHDQEXEKQB-UHFFFAOYSA-N 0 0 331.353 3.208 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000040070899 202166538 /nfs/dbraw/zinc/16/65/38/202166538.db2.gz RQDCRYQAFMPXHV-LBPRGKRZSA-N 0 0 344.367 3.445 40 5 EGBBRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000033183940 212905268 /nfs/dbraw/zinc/90/52/68/212905268.db2.gz LNFSQKVCCJKVNW-NWDGAFQWSA-N 0 0 336.388 3.311 40 5 EGBBRN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036621163 202326854 /nfs/dbraw/zinc/32/68/54/202326854.db2.gz CTHPHGPMCVKAFA-QGZVFWFLSA-N 0 0 346.408 3.429 40 5 EGBBRN Cc1noc(C)c1CSCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000036774771 202331550 /nfs/dbraw/zinc/33/15/50/202331550.db2.gz IHQPEDAJTDOIQP-UHFFFAOYSA-N 0 0 335.385 3.380 40 5 EGBBRN CCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000073042946 202368184 /nfs/dbraw/zinc/36/81/84/202368184.db2.gz DHVLNKCCUFGDSF-KBPBESRZSA-N 0 0 335.404 3.114 40 5 EGBBRN Cc1ccccc1OCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000055954621 202700708 /nfs/dbraw/zinc/70/07/08/202700708.db2.gz UYIOYHWUMKHSMK-MDZDMXLPSA-N 0 0 326.352 3.112 40 5 EGBBRN CCOC(=O)c1ccc(C[S@@](=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005836489 201664734 /nfs/dbraw/zinc/66/47/34/201664734.db2.gz GERJNRFUQLQLMJ-QHCPKHFHSA-N 0 0 333.365 3.079 40 5 EGBBRN O=[N+]([O-])c1ccc(SC[C@H]2CSc3c4ncnc-4ncn32)cc1 ZINC000072414675 203218472 /nfs/dbraw/zinc/21/84/72/203218472.db2.gz NTIDIKSILLCIFF-JTQLQIEISA-N 0 0 345.409 3.125 40 5 EGBBRN COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000003555996 206469286 /nfs/dbraw/zinc/46/92/86/206469286.db2.gz VUVAVNFMXUVZDV-UXBLZVDNSA-N 0 0 340.335 3.342 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccc(Cl)cc2)CC1=O ZINC000005583633 284714685 /nfs/dbraw/zinc/71/46/85/284714685.db2.gz RLDOZZRVRHUOQI-LBPRGKRZSA-N 0 0 344.754 3.405 40 5 EGBBRN CC(C)C(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000013019439 207268234 /nfs/dbraw/zinc/26/82/34/207268234.db2.gz ALEDEDXYZRPISA-UHFFFAOYSA-N 0 0 341.367 3.119 40 5 EGBBRN Cc1nc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000096475311 218852583 /nfs/dbraw/zinc/85/25/83/218852583.db2.gz IZYWFHLWXCWTIZ-UHFFFAOYSA-N 0 0 327.674 3.482 40 5 EGBBRN O=c1oc2ccccc2cc1C1=NN[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000005904430 285229420 /nfs/dbraw/zinc/22/94/20/285229420.db2.gz ATAQMHYWDIQPAL-HNNXBMFYSA-N 0 0 335.319 3.140 40 5 EGBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000409012016 257882766 /nfs/dbraw/zinc/88/27/66/257882766.db2.gz ILCBAWNWNGVMEV-ITTMYVLYSA-N 0 0 336.369 3.438 40 5 EGBBRN O=[N+]([O-])c1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 ZINC000007601521 257864533 /nfs/dbraw/zinc/86/45/33/257864533.db2.gz ILSXFBUIYUZTSY-UHFFFAOYSA-N 0 0 327.369 3.260 40 5 EGBBRN O=[N+]([O-])c1ccc(C2=NNC(c3cccnc3)=Nc3ccccc32)cc1 ZINC000006557753 275035195 /nfs/dbraw/zinc/03/51/95/275035195.db2.gz ADGJKYPMCFTWII-UHFFFAOYSA-N 0 0 343.346 3.424 40 5 EGBBRN O=[N+]([O-])c1ccn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)n1 ZINC000000426654 275040516 /nfs/dbraw/zinc/04/05/16/275040516.db2.gz RBYQULBDJNYMGO-UHFFFAOYSA-N 0 0 335.245 3.256 40 5 EGBBRN Cc1nc([N+](=O)[O-])cn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000426683 282003269 /nfs/dbraw/zinc/00/32/69/282003269.db2.gz VLTYTKCFIQDYDX-UHFFFAOYSA-N 0 0 339.233 3.158 40 5 EGBBRN O=C(CCc1cncc(F)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000097102276 323214655 /nfs/dbraw/zinc/21/46/55/323214655.db2.gz LIEOIMWYHUKQHM-UHFFFAOYSA-N 0 0 329.331 3.041 40 5 EGBBRN O=C([C@H]1CCOC1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000097212690 323215146 /nfs/dbraw/zinc/21/51/46/323215146.db2.gz LCXARCZEHXVMLO-HNNXBMFYSA-N 0 0 326.352 3.165 40 5 EGBBRN COc1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000062158 452495539 /nfs/dbraw/zinc/49/55/39/452495539.db2.gz SPOGMSFEZKITCF-OQLLNIDSSA-N 0 0 338.319 3.256 40 5 EGBBRN Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 ZINC000000570425 452626620 /nfs/dbraw/zinc/62/66/20/452626620.db2.gz FGUVOOASAVUISV-UHFFFAOYSA-N 0 0 347.371 3.478 40 5 EGBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000003514250 452775970 /nfs/dbraw/zinc/77/59/70/452775970.db2.gz KFMDZQQKSYKDIE-UHFFFAOYSA-N 0 0 337.690 3.427 40 5 EGBBRN O=[N+]([O-])c1cccc(-c2nnc3n2N[C@@H](c2ccccc2)S3)c1 ZINC000003843194 452785910 /nfs/dbraw/zinc/78/59/10/452785910.db2.gz YMYOJYWSWQHQGX-CQSZACIVSA-N 0 0 325.353 3.201 40 5 EGBBRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000008092201 453159807 /nfs/dbraw/zinc/15/98/07/453159807.db2.gz SRHPZRBDMYDZPA-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN CCOc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000008180004 453174169 /nfs/dbraw/zinc/17/41/69/453174169.db2.gz GOFIZLZZOWJVOT-WJDWOHSUSA-N 0 0 338.319 3.338 40 5 EGBBRN CCOC(=O)c1cc(C(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000010857291 453303450 /nfs/dbraw/zinc/30/34/50/453303450.db2.gz IBIPKQUPEAMCKD-UHFFFAOYSA-N 0 0 329.308 3.129 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000012777346 453403028 /nfs/dbraw/zinc/40/30/28/453403028.db2.gz CSSXNWLQIUTSBY-UHFFFAOYSA-N 0 0 342.351 3.246 40 5 EGBBRN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000013674683 453480494 /nfs/dbraw/zinc/48/04/94/453480494.db2.gz RCZIYUNTEDFBMD-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN COc1c(F)c(F)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC000014258309 453528042 /nfs/dbraw/zinc/52/80/42/453528042.db2.gz LZATXDXLSYVAKA-UHFFFAOYSA-N 0 0 344.220 3.412 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000015139451 453560102 /nfs/dbraw/zinc/56/01/02/453560102.db2.gz HBFMJRQDGJBMJC-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN Cc1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc12 ZINC000016209910 453598111 /nfs/dbraw/zinc/59/81/11/453598111.db2.gz ZWTZFDKUOWSBCL-UHFFFAOYSA-N 0 0 325.324 3.216 40 5 EGBBRN Cc1ccc(CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000031653123 453851131 /nfs/dbraw/zinc/85/11/31/453851131.db2.gz CGEMYWXVILNGRJ-UHFFFAOYSA-N 0 0 337.383 3.251 40 5 EGBBRN Cc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000055667946 454004696 /nfs/dbraw/zinc/00/46/96/454004696.db2.gz BGQZVEKTOLHPBH-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN N[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534008 454229870 /nfs/dbraw/zinc/22/98/70/454229870.db2.gz ZKKIEKDCUWRHPX-OAHLLOKOSA-N 0 0 343.774 3.005 40 5 EGBBRN N[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533942 454231073 /nfs/dbraw/zinc/23/10/73/454231073.db2.gz YXOLAQIAKUAYLS-CYBMUJFWSA-N 0 0 329.747 3.081 40 5 EGBBRN O=[N+]([O-])c1cc(CN2CCC[C@H]2c2nnc3n2CCCCC3)cs1 ZINC000096414816 454331311 /nfs/dbraw/zinc/33/13/11/454331311.db2.gz OVTBMDBMQZNQSS-ZDUSSCGKSA-N 0 0 347.444 3.311 40 5 EGBBRN CCO[C@@H](C)c1nc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cs1 ZINC000096424887 454338693 /nfs/dbraw/zinc/33/86/93/454338693.db2.gz RSDCFSCOAKEMPE-VIFPVBQESA-N 0 0 349.368 3.105 40 5 EGBBRN O=[N+]([O-])c1ccc(NCc2nnc3ccccn32)c(Br)c1 ZINC000096426879 454339735 /nfs/dbraw/zinc/33/97/35/454339735.db2.gz LYBPTGJPFOONCJ-UHFFFAOYSA-N 0 0 348.160 3.012 40 5 EGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1 ZINC000063764545 454446130 /nfs/dbraw/zinc/44/61/30/454446130.db2.gz FRSWDKVEIUOIAI-UHFFFAOYSA-N 0 0 342.376 3.227 40 5 EGBBRN COCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000080223703 454552323 /nfs/dbraw/zinc/55/23/23/454552323.db2.gz WCCRJRXIFSCEQO-UHFFFAOYSA-N 0 0 346.305 3.112 40 5 EGBBRN CN(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000192543268 455639350 /nfs/dbraw/zinc/63/93/50/455639350.db2.gz JCIOWHSEHGMUII-UHFFFAOYSA-N 0 0 330.409 3.487 40 5 EGBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc2ccccc2c1 ZINC000222772203 456050898 /nfs/dbraw/zinc/05/08/98/456050898.db2.gz OEJVYWJBVFJUIT-UHFFFAOYSA-N 0 0 342.376 3.227 40 5 EGBBRN CCCC[C@@H](CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000224153960 456064336 /nfs/dbraw/zinc/06/43/36/456064336.db2.gz SFPWTIGWSLRYRN-CYBMUJFWSA-N 0 0 328.434 3.398 40 5 EGBBRN CCN(c1ccc(C)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224996842 456070770 /nfs/dbraw/zinc/07/07/70/456070770.db2.gz NPFDUELEPQGTIO-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CCN(c1c(C)cccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997181 456071243 /nfs/dbraw/zinc/07/12/43/456071243.db2.gz OSVPUDJRAOQHQV-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN Cc1ccc(CNC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408726951 457588070 /nfs/dbraw/zinc/58/80/70/457588070.db2.gz NXXDDTKTRYNUEE-UHFFFAOYSA-N 0 0 330.409 3.453 40 5 EGBBRN Cc1cccc(CSCCNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000409168727 457594660 /nfs/dbraw/zinc/59/46/60/457594660.db2.gz RXGDBJUCTVTRSW-UHFFFAOYSA-N 0 0 344.436 3.495 40 5 EGBBRN COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000032826173 518155625 /nfs/dbraw/zinc/15/56/25/518155625.db2.gz CJPOJIRYEKRMNH-UHFFFAOYSA-N 0 0 344.327 3.206 40 5 EGBBRN CC(C)CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000225548713 535257897 /nfs/dbraw/zinc/25/78/97/535257897.db2.gz LVTKEWGTIXXWGX-UHFFFAOYSA-N 0 0 338.414 3.447 40 5 EGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2CCCCCC2)c1 ZINC000010543512 201800620 /nfs/dbraw/zinc/80/06/20/201800620.db2.gz RVAZFRKKJYARRQ-UHFFFAOYSA-N 0 0 326.418 3.234 40 5 EGBBRN Cc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000019932165 202026604 /nfs/dbraw/zinc/02/66/04/202026604.db2.gz RYQFBQBGKWAEQE-UHFFFAOYSA-N 0 0 334.397 3.032 40 5 EGBBRN COc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000020456441 202043073 /nfs/dbraw/zinc/04/30/73/202043073.db2.gz PTTJYRMSYHBNDT-NSHDSACASA-N 0 0 346.339 3.018 40 5 EGBBRN COC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000073640464 202369664 /nfs/dbraw/zinc/36/96/64/202369664.db2.gz ROVVNUZTXDAKKK-UHFFFAOYSA-N 0 0 326.102 3.404 40 5 EGBBRN CC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000078518470 202396705 /nfs/dbraw/zinc/39/67/05/202396705.db2.gz NZPSZWAOSPTUDR-AWEZNQCLSA-N 0 0 348.428 3.353 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccccc1Cl ZINC000078556363 202397319 /nfs/dbraw/zinc/39/73/19/202397319.db2.gz ONOLXVQNHYYOGA-UHFFFAOYSA-N 0 0 341.772 3.231 40 5 EGBBRN C/C=C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020854170 201370409 /nfs/dbraw/zinc/37/04/09/201370409.db2.gz AAQYOWGCNQFTSC-POOPIXKXSA-N 0 0 338.747 3.251 40 5 EGBBRN Cc1nc(Sc2ccc([N+](=O)[O-])cc2Cl)sc1CC(N)=O ZINC000022095075 212276748 /nfs/dbraw/zinc/27/67/48/212276748.db2.gz ZATVWZGUAONYMV-UHFFFAOYSA-N 0 0 343.817 3.192 40 5 EGBBRN C[C@@H]1CCc2ccccc2N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000022060939 212273972 /nfs/dbraw/zinc/27/39/72/212273972.db2.gz XXTXMDUHXNXJFA-CQSZACIVSA-N 0 0 339.395 3.399 40 5 EGBBRN CC(C)CNC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003318879 201565806 /nfs/dbraw/zinc/56/58/06/201565806.db2.gz VRDJQRNYMSWPTB-UHFFFAOYSA-N 0 0 325.415 3.069 40 5 EGBBRN Cc1cc(NCc2cnn(C)c2)c(Br)cc1[N+](=O)[O-] ZINC000225589249 205092391 /nfs/dbraw/zinc/09/23/91/205092391.db2.gz HJWZCWGLBBQBOG-UHFFFAOYSA-N 0 0 325.166 3.011 40 5 EGBBRN COc1ccccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000006832159 205822104 /nfs/dbraw/zinc/82/21/04/205822104.db2.gz FAORTTZRLYNJQN-NSHDSACASA-N 0 0 345.355 3.051 40 5 EGBBRN COc1ccc2cc(CNc3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 ZINC000012493337 207157723 /nfs/dbraw/zinc/15/77/23/207157723.db2.gz VRYYJHAOZYBPMU-UHFFFAOYSA-N 0 0 325.324 3.057 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCc1ccccc1 ZINC000006314863 257866632 /nfs/dbraw/zinc/86/66/32/257866632.db2.gz RWODUSCDHDEDOR-CQSZACIVSA-N 0 0 348.424 3.203 40 5 EGBBRN COc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000013792615 257859183 /nfs/dbraw/zinc/85/91/83/257859183.db2.gz UBALVXXHHKOUTQ-UHFFFAOYSA-N 0 0 333.369 3.421 40 5 EGBBRN COc1cc(N)c(Cl)cc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000095389799 286227569 /nfs/dbraw/zinc/22/75/69/286227569.db2.gz WRRMFFAUPXXFIY-UHFFFAOYSA-N 0 0 349.774 3.111 40 5 EGBBRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225019835 262510058 /nfs/dbraw/zinc/51/00/58/262510058.db2.gz MEIDXSHJLCUDKF-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN O=C1c2ccc(Br)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000000362419 275031126 /nfs/dbraw/zinc/03/11/26/275031126.db2.gz LSOPIOFSMOFTKL-UHFFFAOYSA-N 0 0 347.124 3.158 40 5 EGBBRN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000245460 452546003 /nfs/dbraw/zinc/54/60/03/452546003.db2.gz OAMOUHNNMKAKSY-INIZCTEOSA-N 0 0 345.742 3.487 40 5 EGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl ZINC000001993675 452683929 /nfs/dbraw/zinc/68/39/29/452683929.db2.gz UGHHSEIWECDFHP-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN O=C(Nc1nc(-c2ccncc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000005689449 452895055 /nfs/dbraw/zinc/89/50/55/452895055.db2.gz QEMCAQFYHBEAFG-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN CCCN1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000005937260 452911915 /nfs/dbraw/zinc/91/19/15/452911915.db2.gz HKQNRWUHZUDWRY-UHFFFAOYSA-N 0 0 343.383 3.023 40 5 EGBBRN COc1ccccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000006832155 452996525 /nfs/dbraw/zinc/99/65/25/452996525.db2.gz CKTLSKVWNYJVJO-NSHDSACASA-N 0 0 345.355 3.051 40 5 EGBBRN Cc1nn(Cc2cc(Cl)c3c(c2)OCCCO3)c(C)c1[N+](=O)[O-] ZINC000007088806 453031901 /nfs/dbraw/zinc/03/19/01/453031901.db2.gz CFQMBVQTOWQHNP-UHFFFAOYSA-N 0 0 337.763 3.271 40 5 EGBBRN COc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000007093776 453032420 /nfs/dbraw/zinc/03/24/20/453032420.db2.gz PXPWCWQDUVBSSI-UHFFFAOYSA-N 0 0 332.381 3.475 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000014138458 453511074 /nfs/dbraw/zinc/51/10/74/453511074.db2.gz SJDNLXWJIXEOCA-UHFFFAOYSA-N 0 0 326.761 3.357 40 5 EGBBRN Cc1c(NS(=O)(=O)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000014291498 453529053 /nfs/dbraw/zinc/52/90/53/453529053.db2.gz AZXHIISPTVCFSQ-UHFFFAOYSA-N 0 0 340.788 3.499 40 5 EGBBRN CCc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000021596427 453678871 /nfs/dbraw/zinc/67/88/71/453678871.db2.gz MXMWQHUDZLRAAG-UHFFFAOYSA-N 0 0 329.381 3.284 40 5 EGBBRN C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000030773096 453837841 /nfs/dbraw/zinc/83/78/41/453837841.db2.gz JFPLGRDIAPZRQK-SSDOTTSWSA-N 0 0 338.307 3.099 40 5 EGBBRN Cc1ncsc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000081941518 453918879 /nfs/dbraw/zinc/91/88/79/453918879.db2.gz NMHHYGLJJZWANF-UHFFFAOYSA-N 0 0 329.179 3.129 40 5 EGBBRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000056340429 454052163 /nfs/dbraw/zinc/05/21/63/454052163.db2.gz NZHCSBHFHGRTHP-UHFFFAOYSA-N 0 0 341.367 3.329 40 5 EGBBRN CCS(=O)(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000096427393 454340502 /nfs/dbraw/zinc/34/05/02/454340502.db2.gz OHQVZAATSWMLQR-UHFFFAOYSA-N 0 0 334.397 3.309 40 5 EGBBRN C[C@@H]1C[C@@]2(c3ccc([N+](=O)[O-])cc3)O[C@H]2CN1C(=O)OC(C)(C)C ZINC000252494525 455812980 /nfs/dbraw/zinc/81/29/80/455812980.db2.gz NXWHOJOMQXZAJJ-WHCBVINPSA-N 0 0 334.372 3.218 40 5 EGBBRN CC(=O)NCc1ccc([C@H]2CCCN2c2cccc(F)c2[N+](=O)[O-])o1 ZINC000253429294 455846728 /nfs/dbraw/zinc/84/67/28/455846728.db2.gz RGSHXSISRQSKQP-CQSZACIVSA-N 0 0 347.346 3.305 40 5 EGBBRN O=[N+]([O-])C[C@H](c1c(Cl)cccc1Cl)n1nc2c(n1)CCCC2 ZINC000255188999 455863119 /nfs/dbraw/zinc/86/31/19/455863119.db2.gz NAHZSWAFYSXJCM-CYBMUJFWSA-N 0 0 341.198 3.330 40 5 EGBBRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)o2)cc1F ZINC000188225419 456024532 /nfs/dbraw/zinc/02/45/32/456024532.db2.gz KSHAYPYEZJGCQU-UHFFFAOYSA-N 0 0 332.316 3.471 40 5 EGBBRN Cc1ccc(C)c(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000223980596 456063309 /nfs/dbraw/zinc/06/33/09/456063309.db2.gz SXRVNGCWYVVBOD-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224714447 456068380 /nfs/dbraw/zinc/06/83/80/456068380.db2.gz AWJGVNUDFSEZHA-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN Cc1ccc(NCCCNC(=O)c2conc2C2CC2)c([N+](=O)[O-])c1 ZINC000225560195 456093787 /nfs/dbraw/zinc/09/37/87/456093787.db2.gz CBXLYPKCALSICO-UHFFFAOYSA-N 0 0 344.371 3.001 40 5 EGBBRN O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)c1n[nH]cc1[N+](=O)[O-] ZINC000390835379 457448198 /nfs/dbraw/zinc/44/81/98/457448198.db2.gz MDHHDFWDTWGTHG-UHFFFAOYSA-N 0 0 349.759 3.347 40 5 EGBBRN O=C(CSc1nnc(-c2ccccn2)o1)c1cccc([N+](=O)[O-])c1 ZINC000408581987 457582274 /nfs/dbraw/zinc/58/22/74/457582274.db2.gz KOOMWAGBBSDXAP-UHFFFAOYSA-N 0 0 342.336 3.015 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccco3)n2)c([N+](=O)[O-])c1 ZINC000409274039 457597408 /nfs/dbraw/zinc/59/74/08/457597408.db2.gz UFTAOODRNDTWHO-UHFFFAOYSA-N 0 0 333.285 3.032 40 5 EGBBRN Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000000560011 546507436 /nfs/dbraw/zinc/50/74/36/546507436.db2.gz CGZJPZUYARJWRX-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN CC1=C2C(=NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)Nc2ccccc2N1 ZINC000026770563 1291280426 /nfs/dbraw/zinc/28/04/26/1291280426.db2.gz CDVLJFFXYYRAIK-INIZCTEOSA-N 0 0 349.350 3.378 40 5 EGBBRN COc1cccc(C(=O)N(C)C)c1OCc1cccc([N+](=O)[O-])c1C ZINC000054269180 214228237 /nfs/dbraw/zinc/22/82/37/214228237.db2.gz QZHYDTMBHNGAPW-UHFFFAOYSA-N 0 0 344.367 3.193 40 5 EGBBRN O=[N+]([O-])c1ccc(NCC2(c3cccc(F)c3)CCOCC2)nc1 ZINC000054981714 214262562 /nfs/dbraw/zinc/26/25/62/214262562.db2.gz UJQSUMWKQFZVBB-UHFFFAOYSA-N 0 0 331.347 3.289 40 5 EGBBRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000056459944 214375488 /nfs/dbraw/zinc/37/54/88/214375488.db2.gz SGQFTSKDYJMJJG-NSHDSACASA-N 0 0 331.294 3.079 40 5 EGBBRN COc1ccc(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007871759 201731504 /nfs/dbraw/zinc/73/15/04/201731504.db2.gz IJRPYKRVUQBEFD-KPKJPENVSA-N 0 0 326.352 3.275 40 5 EGBBRN Cc1cc(S(=O)(=O)N(C)C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000016780181 201979525 /nfs/dbraw/zinc/97/95/25/201979525.db2.gz ZTUGXYCYCXAISR-UHFFFAOYSA-N 0 0 326.418 3.165 40 5 EGBBRN CCN(c1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000020001386 202029391 /nfs/dbraw/zinc/02/93/91/202029391.db2.gz TXNOHWKAPCOKGN-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN Nc1cc(Br)cc2c3ccccc3c(NCCO)nc12 ZINC000031719449 202208278 /nfs/dbraw/zinc/20/82/78/202208278.db2.gz KVZFYGGRXQIZJT-UHFFFAOYSA-N 0 0 332.201 3.137 40 5 EGBBRN CCC(C)(C)NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000032815946 212849205 /nfs/dbraw/zinc/84/92/05/212849205.db2.gz MCAVDQNJAANDIR-UHFFFAOYSA-N 0 0 326.418 3.141 40 5 EGBBRN C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152530581 201393023 /nfs/dbraw/zinc/39/30/23/201393023.db2.gz QZAOTQWUPORFMH-XUJVJEKNSA-N 0 0 347.371 3.060 40 5 EGBBRN Cc1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000055675912 202696592 /nfs/dbraw/zinc/69/65/92/202696592.db2.gz DNBMXGNDVXZIOT-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN CCOc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000213055362 241091710 /nfs/dbraw/zinc/09/17/10/241091710.db2.gz IVCFQVNHTQQWBL-LFIBNONCSA-N 0 0 338.319 3.338 40 5 EGBBRN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000217861276 241278641 /nfs/dbraw/zinc/27/86/41/241278641.db2.gz HIJOFZUHZVFNSQ-UHFFFAOYSA-N 0 0 344.367 3.322 40 5 EGBBRN O=[N+]([O-])c1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc1 ZINC000253419165 243951608 /nfs/dbraw/zinc/95/16/08/243951608.db2.gz BDZDAIQRUKNYPA-NSHDSACASA-N 0 0 341.293 3.047 40 5 EGBBRN CCc1nc2n(n1)[C@H](c1ccco1)CC(c1ccc([N+](=O)[O-])cc1)=N2 ZINC000100068416 203988683 /nfs/dbraw/zinc/98/86/83/203988683.db2.gz BGYLHHIJLILZQH-AWEZNQCLSA-N 0 0 337.339 3.398 40 5 EGBBRN COc1c(F)c(F)c(C(=O)Nc2ccccc2[N+](=O)[O-])c(F)c1F ZINC000014258292 207638880 /nfs/dbraw/zinc/63/88/80/207638880.db2.gz ZQRIXUAXRLVNPN-UHFFFAOYSA-N 0 0 344.220 3.412 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2nc(C)cs2)C2CC2)c1 ZINC000096425435 218794595 /nfs/dbraw/zinc/79/45/95/218794595.db2.gz FFRITHOAJVHICQ-AWEZNQCLSA-N 0 0 347.396 3.249 40 5 EGBBRN Cc1cccc(CCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000010110766 257861487 /nfs/dbraw/zinc/86/14/87/257861487.db2.gz FKGMDMXOABWWGK-UHFFFAOYSA-N 0 0 348.424 3.123 40 5 EGBBRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCc2cccnc21 ZINC000241435184 455267266 /nfs/dbraw/zinc/26/72/66/455267266.db2.gz NLKLFUDXLSGEOR-KRWDZBQOSA-N 0 0 339.395 3.111 40 5 EGBBRN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000245454 452545784 /nfs/dbraw/zinc/54/57/84/452545784.db2.gz OAMOUHNNMKAKSY-MRXNPFEDSA-N 0 0 345.742 3.487 40 5 EGBBRN O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000003512393 452775359 /nfs/dbraw/zinc/77/53/59/452775359.db2.gz TXJLJVBXXBAPAA-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN CSc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003567319 452781835 /nfs/dbraw/zinc/78/18/35/452781835.db2.gz BVSHZWWIJJHYLM-UHFFFAOYSA-N 0 0 346.364 3.112 40 5 EGBBRN Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000005754041 452900334 /nfs/dbraw/zinc/90/03/34/452900334.db2.gz LSDYFOOSGSMNBV-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN COC(=O)c1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000006478338 452946722 /nfs/dbraw/zinc/94/67/22/452946722.db2.gz MJWXTQIRAPDJCV-UHFFFAOYSA-N 0 0 328.324 3.251 40 5 EGBBRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000006714730 452976371 /nfs/dbraw/zinc/97/63/71/452976371.db2.gz BWJIWMAVRKABLO-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN COc1ccccc1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008210908 453176576 /nfs/dbraw/zinc/17/65/76/453176576.db2.gz SQNFWAFGJXOUSE-UHFFFAOYSA-N 0 0 335.747 3.307 40 5 EGBBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008556686 453215744 /nfs/dbraw/zinc/21/57/44/453215744.db2.gz BASFKSBNOATGID-UHFFFAOYSA-N 0 0 341.367 3.375 40 5 EGBBRN COC(=O)c1ccc(C)c(NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000011550733 453324849 /nfs/dbraw/zinc/32/48/49/453324849.db2.gz AIJSHYYTJHXWQH-UHFFFAOYSA-N 0 0 330.340 3.311 40 5 EGBBRN CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000014219714 453520933 /nfs/dbraw/zinc/52/09/33/453520933.db2.gz TVCYKXMDTBSGJA-AWEZNQCLSA-N 0 0 334.397 3.333 40 5 EGBBRN O=C(Cn1nc(-c2ccncc2)oc1=S)c1cccc([N+](=O)[O-])c1 ZINC000016769595 453621428 /nfs/dbraw/zinc/62/14/28/453621428.db2.gz AVWYBGKANHCLST-UHFFFAOYSA-N 0 0 342.336 3.059 40 5 EGBBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000017067468 453627292 /nfs/dbraw/zinc/62/72/92/453627292.db2.gz CNVFNXYRKXQNBR-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN N[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534009 454229824 /nfs/dbraw/zinc/22/98/24/454229824.db2.gz ZKKIEKDCUWRHPX-HNNXBMFYSA-N 0 0 343.774 3.005 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCc2cc(F)c(F)cc21 ZINC000046222635 454231062 /nfs/dbraw/zinc/23/10/62/454231062.db2.gz JRPGQVQYKCLKHH-UHFFFAOYSA-N 0 0 332.306 3.395 40 5 EGBBRN Cc1c(NCc2cccc([N+](=O)[O-])c2)cccc1N1C(=O)CCC1=O ZINC000096427478 454340063 /nfs/dbraw/zinc/34/00/63/454340063.db2.gz OUGXGWQEOBCIFG-UHFFFAOYSA-N 0 0 339.351 3.169 40 5 EGBBRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCCCCF ZINC000225444256 456083073 /nfs/dbraw/zinc/08/30/73/456083073.db2.gz ITXQACXEMSOCJJ-UHFFFAOYSA-N 0 0 325.365 3.074 40 5 EGBBRN COc1ccc2[nH]c(Sc3ccc([N+](=O)[O-])cc3C=O)nc2c1 ZINC000320444102 456630445 /nfs/dbraw/zinc/63/04/45/456630445.db2.gz UMCGHRTYBORFRZ-UHFFFAOYSA-N 0 0 329.337 3.443 40 5 EGBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408729555 457587993 /nfs/dbraw/zinc/58/79/93/457587993.db2.gz CIYDDXMEOXUPSZ-CQSZACIVSA-N 0 0 349.412 3.137 40 5 EGBBRN O=C1N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000409238135 457597505 /nfs/dbraw/zinc/59/75/05/457597505.db2.gz CHKVJLIKRAPRSH-IPASCASISA-N 0 0 349.346 3.244 40 5 EGBBRN CC1=C2C(=NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)Nc2ccccc2N1 ZINC000026770565 1291280498 /nfs/dbraw/zinc/28/04/98/1291280498.db2.gz CDVLJFFXYYRAIK-MRXNPFEDSA-N 0 0 349.350 3.378 40 5 EGBBRN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055679746 214337580 /nfs/dbraw/zinc/33/75/80/214337580.db2.gz JISCXGGFBJXLGT-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CC(=O)C(C(C)=O)[C@H](c1ccccc1)[C@@H](Cc1ccccc1)[N+](=O)[O-] ZINC000101403528 219126051 /nfs/dbraw/zinc/12/60/51/219126051.db2.gz IXJSAWCSDWQGLA-UYAOXDASSA-N 0 0 339.391 3.452 40 5 EGBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2ccc(F)cc2s1 ZINC000001854246 209801009 /nfs/dbraw/zinc/80/10/09/209801009.db2.gz HKUZNYHCVUZBLY-UHFFFAOYSA-N 0 0 347.327 3.361 40 5 EGBBRN CCCCOC(=O)c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000070462629 215697540 /nfs/dbraw/zinc/69/75/40/215697540.db2.gz LPWUIJMMBNYSPG-UHFFFAOYSA-N 0 0 342.779 3.042 40 5 EGBBRN COc1ccc(C)cc1[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000032816352 212848882 /nfs/dbraw/zinc/84/88/82/212848882.db2.gz NDZXQKHREYAYSU-CYBMUJFWSA-N 0 0 344.367 3.168 40 5 EGBBRN COC(=O)c1cn(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000216951810 241227291 /nfs/dbraw/zinc/22/72/91/241227291.db2.gz WGOFXQKRFBCLGI-UHFFFAOYSA-N 0 0 338.319 3.219 40 5 EGBBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000218131258 241300027 /nfs/dbraw/zinc/30/00/27/241300027.db2.gz UZGSLWLXHHRSEO-CQSZACIVSA-N 0 0 328.368 3.409 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCOc1ccc(Cl)cc1 ZINC000021904499 212262775 /nfs/dbraw/zinc/26/27/75/212262775.db2.gz FZDGKDVLQWGWFM-RUDMXATFSA-N 0 0 346.770 3.457 40 5 EGBBRN C[C@@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000021638792 212235527 /nfs/dbraw/zinc/23/55/27/212235527.db2.gz QUQYOTRPURTZPZ-LLVKDONJSA-N 0 0 332.381 3.181 40 5 EGBBRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC000079097202 217191894 /nfs/dbraw/zinc/19/18/94/217191894.db2.gz VOVPCEYMSKVXIV-QMMMGPOBSA-N 0 0 328.250 3.010 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000079310473 217207284 /nfs/dbraw/zinc/20/72/84/217207284.db2.gz XBPUMODRQDDUEG-MRXNPFEDSA-N 0 0 341.367 3.124 40 5 EGBBRN CCCn1c2ccccc2[nH]c1=NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006153850 210593657 /nfs/dbraw/zinc/59/36/57/210593657.db2.gz LHCRMIWPRGKQMK-UHFFFAOYSA-N 0 0 338.367 3.337 40 5 EGBBRN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000036620655 301825038 /nfs/dbraw/zinc/82/50/38/301825038.db2.gz XQJCDQNHINTAIV-OAHLLOKOSA-N 0 0 346.408 3.429 40 5 EGBBRN COc1c(NC(=O)COc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000001739853 452676998 /nfs/dbraw/zinc/67/69/98/452676998.db2.gz UVCIMJQTJHEWBF-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(F)cc2s1 ZINC000001858236 452679284 /nfs/dbraw/zinc/67/92/84/452679284.db2.gz FNTIQFLHWPXULL-QPJJXVBHSA-N 0 0 343.339 3.417 40 5 EGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000001934051 452680998 /nfs/dbraw/zinc/68/09/98/452680998.db2.gz WLWBGPLOLFETQF-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000001972470 452683180 /nfs/dbraw/zinc/68/31/80/452683180.db2.gz KFVCRHZFXZUVCC-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN CC(=O)Oc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000003123357 452744438 /nfs/dbraw/zinc/74/44/38/452744438.db2.gz ZYTNKIDDENTSQI-UHFFFAOYSA-N 0 0 325.280 3.237 40 5 EGBBRN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccccc1F ZINC000003145673 452746985 /nfs/dbraw/zinc/74/69/85/452746985.db2.gz GWFJBERXFOPIMQ-QPEQYQDCSA-N 0 0 345.717 3.305 40 5 EGBBRN Cc1cccc(C)c1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003506588 452774140 /nfs/dbraw/zinc/77/41/40/452774140.db2.gz VXWDOWOEHJISHQ-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN CSc1ccccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000003502661 452774528 /nfs/dbraw/zinc/77/45/28/452774528.db2.gz ZUZGGDPSIBJVDS-UHFFFAOYSA-N 0 0 346.364 3.112 40 5 EGBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccco2)CC1 ZINC000007910614 453131657 /nfs/dbraw/zinc/13/16/57/453131657.db2.gz HQCFWNQZKAVYST-UHFFFAOYSA-N 0 0 343.383 3.354 40 5 EGBBRN CC(=O)c1ccc(N(C)CC(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000008052079 453153676 /nfs/dbraw/zinc/15/36/76/453153676.db2.gz SKWDXGJKBLZHIG-UHFFFAOYSA-N 0 0 345.330 3.011 40 5 EGBBRN O=C(CNc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000008194510 453175499 /nfs/dbraw/zinc/17/54/99/453175499.db2.gz KEXZRMCKWSUFQR-KRWDZBQOSA-N 0 0 325.368 3.201 40 5 EGBBRN Cc1ccc(CSCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000017603561 453636643 /nfs/dbraw/zinc/63/66/43/453636643.db2.gz RSOZBPSLWWRCMP-UHFFFAOYSA-N 0 0 344.436 3.495 40 5 EGBBRN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000018204450 453647681 /nfs/dbraw/zinc/64/76/81/453647681.db2.gz WDYJHTPTUYGCJY-GFCCVEGCSA-N 0 0 344.367 3.032 40 5 EGBBRN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000024770725 453746619 /nfs/dbraw/zinc/74/66/19/453746619.db2.gz KDASIGRXQAATIN-UHFFFAOYSA-N 0 0 325.324 3.196 40 5 EGBBRN CC(C)c1cc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000024864744 453749652 /nfs/dbraw/zinc/74/96/52/453749652.db2.gz FSCNMAICTDVVDZ-GFCCVEGCSA-N 0 0 346.387 3.338 40 5 EGBBRN COc1ccc(OCCC(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000025113335 453758999 /nfs/dbraw/zinc/75/89/99/453758999.db2.gz PJUZJBWRJONZDU-UHFFFAOYSA-N 0 0 331.324 3.116 40 5 EGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000030757597 453837924 /nfs/dbraw/zinc/83/79/24/453837924.db2.gz VFBWIQBKHNKXIL-UHFFFAOYSA-N 0 0 326.761 3.190 40 5 EGBBRN C[C@H](CNC(=O)CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000031489652 453848103 /nfs/dbraw/zinc/84/81/03/453848103.db2.gz KWOBGFKBPQHYPW-CQSZACIVSA-N 0 0 328.368 3.284 40 5 EGBBRN CC(C)n1cnnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031839183 453856115 /nfs/dbraw/zinc/85/61/15/453856115.db2.gz VYCJCFLCARQEDH-UHFFFAOYSA-N 0 0 346.372 3.110 40 5 EGBBRN O=C(NC[C@@H](O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032779478 453890866 /nfs/dbraw/zinc/89/08/66/453890866.db2.gz PSBFQLKBPISYHS-CQSZACIVSA-N 0 0 335.747 3.103 40 5 EGBBRN CCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000060573019 454303163 /nfs/dbraw/zinc/30/31/63/454303163.db2.gz XYLFCVQXESRYTJ-UHFFFAOYSA-N 0 0 329.308 3.033 40 5 EGBBRN Cc1nn(CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000105208993 454629204 /nfs/dbraw/zinc/62/92/04/454629204.db2.gz WWSZHTKOUXPLPJ-TUKIKUTGSA-N 0 0 337.420 3.412 40 5 EGBBRN Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)nc2)ccc1[N+](=O)[O-] ZINC000052245958 454663527 /nfs/dbraw/zinc/66/35/27/454663527.db2.gz VIFJHSFBCPHCLS-CQSZACIVSA-N 0 0 342.399 3.135 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1Sc1n[nH]c(-c2ccccc2)n1 ZINC000253431537 455847601 /nfs/dbraw/zinc/84/76/01/455847601.db2.gz SDYANJZDNZDNNS-UHFFFAOYSA-N 0 0 330.373 3.056 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000224699995 456068859 /nfs/dbraw/zinc/06/88/59/456068859.db2.gz LAHRRJLMMZYYOE-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224998470 456070830 /nfs/dbraw/zinc/07/08/30/456070830.db2.gz WNJWFSFNTFNIAI-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ncccn2)cc1 ZINC000390835518 457447941 /nfs/dbraw/zinc/44/79/41/457447941.db2.gz PBXBXHCBVAPEMF-UHFFFAOYSA-N 0 0 349.350 3.310 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000224116104 547246754 /nfs/dbraw/zinc/24/67/54/547246754.db2.gz RBJSJIPTQWBFOI-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000028220348 1291303161 /nfs/dbraw/zinc/30/31/61/1291303161.db2.gz WPZLOFOLQZVBQC-UHFFFAOYSA-N 0 0 340.314 3.231 40 5 EGBBRN COc1ccc(-c2ccc(C(=O)NCc3ccco3)o2)c([N+](=O)[O-])c1 ZINC000041107437 1291413362 /nfs/dbraw/zinc/41/33/62/1291413362.db2.gz LEEVTUUVJAMULF-UHFFFAOYSA-N 0 0 342.307 3.386 40 5 EGBBRN CCCCC[C@H](C)NC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000199424349 1296089068 /nfs/dbraw/zinc/08/90/68/1296089068.db2.gz MTGTZLLMYDTHRI-ZDUSSCGKSA-N 0 0 335.404 3.399 40 5 EGBBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000226863060 1424788436 /nfs/dbraw/zinc/78/84/36/1424788436.db2.gz IYFZIUXLOKRSFI-UHFFFAOYSA-N 0 0 330.724 3.188 40 5 EGBBRN COc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)cc1 ZINC000040169705 213278482 /nfs/dbraw/zinc/27/84/82/213278482.db2.gz CPMBWDHXGPZSCO-UHFFFAOYSA-N 0 0 340.339 3.276 40 5 EGBBRN COC(=O)CSc1ccc(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000001475628 209754108 /nfs/dbraw/zinc/75/41/08/209754108.db2.gz HSQJYKCLVMXFOD-UHFFFAOYSA-N 0 0 327.305 3.472 40 5 EGBBRN O=[N+]([O-])c1ccc(OCc2nc(Cc3ccccc3)no2)c(F)c1 ZINC000040116538 213268464 /nfs/dbraw/zinc/26/84/64/213268464.db2.gz VRRFEKYSYFLIJS-UHFFFAOYSA-N 0 0 329.287 3.287 40 5 EGBBRN Cc1ccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000040095623 213264002 /nfs/dbraw/zinc/26/40/02/213264002.db2.gz YUXCUJLSIMZCMP-HNNXBMFYSA-N 0 0 349.774 3.412 40 5 EGBBRN COc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1C ZINC000031930156 212761301 /nfs/dbraw/zinc/76/13/01/212761301.db2.gz KJHXSOIQKXYVCL-UHFFFAOYSA-N 0 0 344.367 3.193 40 5 EGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCOc1ccccc1 ZINC000131345058 223225004 /nfs/dbraw/zinc/22/50/04/223225004.db2.gz QFJOEGSTWMNULT-UHFFFAOYSA-N 0 0 346.408 3.023 40 5 EGBBRN CCOc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026048945 212505878 /nfs/dbraw/zinc/50/58/78/212505878.db2.gz GITLSWCTHAALTD-ZDUSSCGKSA-N 0 0 328.368 3.413 40 5 EGBBRN COc1ccc(OC)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000023076366 212347138 /nfs/dbraw/zinc/34/71/38/212347138.db2.gz VEXWEXVGHCBNSS-UHFFFAOYSA-N 0 0 345.355 3.053 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C)cc1C ZINC000023040644 212344537 /nfs/dbraw/zinc/34/45/37/212344537.db2.gz AKBBKZQJQDGPRS-UHFFFAOYSA-N 0 0 328.368 3.492 40 5 EGBBRN Cc1cccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000021769473 212247143 /nfs/dbraw/zinc/24/71/43/212247143.db2.gz XTAUUYALXCHOOR-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN Cc1cscc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000225760389 242023803 /nfs/dbraw/zinc/02/38/03/242023803.db2.gz UXWGBMRWZVBLPE-UHFFFAOYSA-N 0 0 333.413 3.349 40 5 EGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cncn1-c1ccc(F)cc1 ZINC000021508583 212228108 /nfs/dbraw/zinc/22/81/08/212228108.db2.gz GWBNJKYUTOMTFN-UHFFFAOYSA-N 0 0 341.298 3.277 40 5 EGBBRN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000020458115 212132533 /nfs/dbraw/zinc/13/25/33/212132533.db2.gz UOUDKIDQVDZURT-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000078729769 217110260 /nfs/dbraw/zinc/11/02/60/217110260.db2.gz ZDZNQBLUVIKMNG-INIZCTEOSA-N 0 0 330.315 3.377 40 5 EGBBRN O=C1NC(=Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccccc1 ZINC000016488352 211907436 /nfs/dbraw/zinc/90/74/36/211907436.db2.gz ZGJGEOYCGKODER-NTEUORMPSA-N 0 0 343.726 3.346 40 5 EGBBRN COc1cc(CCC(=O)Oc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000015612267 211835124 /nfs/dbraw/zinc/83/51/24/211835124.db2.gz WANJYDUBZVTTRW-UHFFFAOYSA-N 0 0 331.324 3.150 40 5 EGBBRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000012633439 211427439 /nfs/dbraw/zinc/42/74/39/211427439.db2.gz HLNHNXPUUNBCRK-FMIVXFBMSA-N 0 0 340.335 3.423 40 5 EGBBRN CC(C)=CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011582987 211224097 /nfs/dbraw/zinc/22/40/97/211224097.db2.gz BBSMDAKTSHJOKO-VIFPVBQESA-N 0 0 326.736 3.085 40 5 EGBBRN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C)s1 ZINC000010556123 211181149 /nfs/dbraw/zinc/18/11/49/211181149.db2.gz MKVTVYCGSGTVDX-UHFFFAOYSA-N 0 0 334.401 3.458 40 5 EGBBRN O=[N+]([O-])c1cccc([C@H](O)CSc2ncn(-c3ccccc3)n2)c1 ZINC000095432529 218374950 /nfs/dbraw/zinc/37/49/50/218374950.db2.gz IQIJABCZDXPSOD-OAHLLOKOSA-N 0 0 342.380 3.001 40 5 EGBBRN Cc1ccc([C@H]2COCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000153166731 224068450 /nfs/dbraw/zinc/06/84/50/224068450.db2.gz RXNNTJQIVMKPII-OAHLLOKOSA-N 0 0 345.355 3.410 40 5 EGBBRN Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000005537125 210483492 /nfs/dbraw/zinc/48/34/92/210483492.db2.gz DTSLVVZHERVMJH-JXMROGBWSA-N 0 0 327.296 3.463 40 5 EGBBRN Cc1cc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)nn1C ZINC000017072567 280288158 /nfs/dbraw/zinc/28/81/58/280288158.db2.gz RIGFGGGVIMXQIU-UHFFFAOYSA-N 0 0 349.423 3.213 40 5 EGBBRN Cc1cc(N(c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c(C)cc1C=O ZINC000004963426 301330562 /nfs/dbraw/zinc/33/05/62/301330562.db2.gz DAVWCUHLESCLNX-UHFFFAOYSA-N 0 0 348.380 3.122 40 5 EGBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000003514390 452775810 /nfs/dbraw/zinc/77/58/10/452775810.db2.gz HGBJUZRNWREPDJ-UHFFFAOYSA-N 0 0 325.729 3.349 40 5 EGBBRN CCOC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005504858 452878605 /nfs/dbraw/zinc/87/86/05/452878605.db2.gz AQKOOBOFRLHHIA-UHFFFAOYSA-N 0 0 329.312 3.416 40 5 EGBBRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCSc2ccccc21 ZINC000006589700 452956589 /nfs/dbraw/zinc/95/65/89/452956589.db2.gz QPZOSJYJCZJPNX-CYBMUJFWSA-N 0 0 344.392 3.327 40 5 EGBBRN O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000006597548 452959144 /nfs/dbraw/zinc/95/91/44/452959144.db2.gz QVWRAWWWAOMGAO-UHFFFAOYSA-N 0 0 328.324 3.057 40 5 EGBBRN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000007060593 453028252 /nfs/dbraw/zinc/02/82/52/453028252.db2.gz AMGOPOQBZGTFQB-UHFFFAOYSA-N 0 0 347.327 3.265 40 5 EGBBRN O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000008286476 453186330 /nfs/dbraw/zinc/18/63/30/453186330.db2.gz AFGYSAOQJWELLM-UHFFFAOYSA-N 0 0 347.758 3.007 40 5 EGBBRN O=C([C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCCC1 ZINC000008291129 453187645 /nfs/dbraw/zinc/18/76/45/453187645.db2.gz JDIFFTQRKIIPMX-QGZVFWFLSA-N 0 0 326.352 3.337 40 5 EGBBRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000009064057 453240846 /nfs/dbraw/zinc/24/08/46/453240846.db2.gz GMZXOBKVFYNEMG-UHFFFAOYSA-N 0 0 345.380 3.039 40 5 EGBBRN CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1 ZINC000020528517 453665817 /nfs/dbraw/zinc/66/58/17/453665817.db2.gz JVVBBFOJSZYLHP-UHFFFAOYSA-N 0 0 345.311 3.326 40 5 EGBBRN O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000024691075 453742721 /nfs/dbraw/zinc/74/27/21/453742721.db2.gz NCPQSHVHRAMSKJ-CQSZACIVSA-N 0 0 340.383 3.243 40 5 EGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2ccnc2)c1 ZINC000025183052 453761591 /nfs/dbraw/zinc/76/15/91/453761591.db2.gz KCPLEKNAMPTHRB-UHFFFAOYSA-N 0 0 336.351 3.021 40 5 EGBBRN CC(=O)Nc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000032753708 453887930 /nfs/dbraw/zinc/88/79/30/453887930.db2.gz DYTSCEMTHVMFEN-UHFFFAOYSA-N 0 0 327.340 3.043 40 5 EGBBRN CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000040968450 453954951 /nfs/dbraw/zinc/95/49/51/453954951.db2.gz LIPGMHXCEKOBNW-UHFFFAOYSA-N 0 0 330.778 3.074 40 5 EGBBRN CCCCOC(=O)c1ccc(Sc2nnc(C)[nH]2)c([N+](=O)[O-])c1 ZINC000070462353 454169564 /nfs/dbraw/zinc/16/95/64/454169564.db2.gz IXFDMYVTSQDOFV-UHFFFAOYSA-N 0 0 336.373 3.129 40 5 EGBBRN Cc1cnc(N2CCC(Nc3cccc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000078664226 454294740 /nfs/dbraw/zinc/29/47/40/454294740.db2.gz AFMPWIZIEDAAFJ-UHFFFAOYSA-N 0 0 327.388 3.083 40 5 EGBBRN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000096414812 454331715 /nfs/dbraw/zinc/33/17/15/454331715.db2.gz PSYPJUYXNPDPTJ-INIZCTEOSA-N 0 0 341.415 3.250 40 5 EGBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCc2ccccc21 ZINC000048009402 454432343 /nfs/dbraw/zinc/43/23/43/454432343.db2.gz UPWWQJMCUFJJOF-UHFFFAOYSA-N 0 0 332.381 3.126 40 5 EGBBRN CN(Cc1cc(=O)oc2cc(O)ccc12)Cc1ccccc1[N+](=O)[O-] ZINC000192634419 455657647 /nfs/dbraw/zinc/65/76/47/455657647.db2.gz WHSUHHNZGSUYOK-UHFFFAOYSA-N 0 0 340.335 3.039 40 5 EGBBRN O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215021042 456026104 /nfs/dbraw/zinc/02/61/04/456026104.db2.gz WSYFWCMYZNFEPH-RIYZIHGNSA-N 0 0 341.348 3.226 40 5 EGBBRN Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225028818 456071734 /nfs/dbraw/zinc/07/17/34/456071734.db2.gz NTPUEUPAOFCHSB-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1[N+](=O)[O-] ZINC000225022540 456072043 /nfs/dbraw/zinc/07/20/43/456072043.db2.gz AWQCJPYFDWQTFU-UHFFFAOYSA-N 0 0 343.364 3.069 40 5 EGBBRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ncccc1C ZINC000281960718 456373344 /nfs/dbraw/zinc/37/33/44/456373344.db2.gz NBVGGVVTZOZJTN-UHFFFAOYSA-N 0 0 330.344 3.019 40 5 EGBBRN C[C@@H](NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000199423485 1296089003 /nfs/dbraw/zinc/08/90/03/1296089003.db2.gz TYBOUCNUFVKEGW-CYBMUJFWSA-N 0 0 341.367 3.191 40 5 EGBBRN CC(=O)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000040169575 213278269 /nfs/dbraw/zinc/27/82/69/213278269.db2.gz ZJYRKUWAYZRRQZ-UHFFFAOYSA-N 0 0 338.323 3.162 40 5 EGBBRN COc1ccccc1CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000040095656 213264038 /nfs/dbraw/zinc/26/40/38/213264038.db2.gz YOLAVVCKCKSXAW-UHFFFAOYSA-N 0 0 329.356 3.276 40 5 EGBBRN COc1ccc(C)cc1[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000032816354 212849256 /nfs/dbraw/zinc/84/92/56/212849256.db2.gz NDZXQKHREYAYSU-ZDUSSCGKSA-N 0 0 344.367 3.168 40 5 EGBBRN CO[C@@]1(C)C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000072511839 216265080 /nfs/dbraw/zinc/26/50/80/216265080.db2.gz CFZFRVBDDAMYQY-NHYWBVRUSA-N 0 0 326.780 3.182 40 5 EGBBRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cccs1 ZINC000195576733 241023502 /nfs/dbraw/zinc/02/35/02/241023502.db2.gz MALSBNGTZHTDQR-JTQLQIEISA-N 0 0 340.426 3.275 40 5 EGBBRN COC(=O)c1c(C)n(C2CCCC2)c2ccc([N+](=O)[O-])cc2c1=O ZINC000255187160 244046547 /nfs/dbraw/zinc/04/65/47/244046547.db2.gz BOYUDGWSHJHFNG-UHFFFAOYSA-N 0 0 330.340 3.120 40 5 EGBBRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000081365326 217389924 /nfs/dbraw/zinc/38/99/24/217389924.db2.gz SCSKQDZEPHQOMS-UHFFFAOYSA-N 0 0 344.342 3.170 40 5 EGBBRN CCOc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013668830 211602888 /nfs/dbraw/zinc/60/28/88/211602888.db2.gz OOORZFDTBAAHBM-KPKJPENVSA-N 0 0 326.352 3.323 40 5 EGBBRN CSc1cccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])c1 ZINC000013100540 211521464 /nfs/dbraw/zinc/52/14/64/211521464.db2.gz WXENSGIJCMTYMQ-UHFFFAOYSA-N 0 0 333.369 3.038 40 5 EGBBRN CC(C)(C)c1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000009217748 211052731 /nfs/dbraw/zinc/05/27/31/211052731.db2.gz OSTZQNZFSYXDAO-UHFFFAOYSA-N 0 0 349.412 3.283 40 5 EGBBRN COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000005610284 210501387 /nfs/dbraw/zinc/50/13/87/210501387.db2.gz PZPACEDPLSWLMH-UHFFFAOYSA-N 0 0 328.324 3.251 40 5 EGBBRN Cc1c2ccccc2c(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)[O-])c2ccccc12 ZINC000005063094 210379779 /nfs/dbraw/zinc/37/97/79/210379779.db2.gz HASDZSSCHARPTG-VBKZILBWSA-N 0 0 335.403 3.321 40 5 EGBBRN O=C1NN/C(=C\c2cccc3ccccc23)c2c1cccc2[N+](=O)[O-] ZINC000035183264 296386344 /nfs/dbraw/zinc/38/63/44/296386344.db2.gz BZRGXDAHXUPVPH-WJDWOHSUSA-N 0 0 331.331 3.494 40 5 EGBBRN CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000107222506 257685348 /nfs/dbraw/zinc/68/53/48/257685348.db2.gz OOBCZZYKVUEPIJ-INIZCTEOSA-N 0 0 337.335 3.125 40 5 EGBBRN CCOc1cc(/C=C\[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409215873 257874321 /nfs/dbraw/zinc/87/43/21/257874321.db2.gz FZYYALYYUBTMAK-FPLPWBNLSA-N 0 0 331.284 3.428 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2nnc3n2CN(c2ccccc2)CS3)cc1 ZINC000003843302 135660963 /nfs/dbraw/zinc/66/09/63/135660963.db2.gz KKZQIIMDFBOECF-UHFFFAOYSA-N 0 0 339.380 3.381 40 5 EGBBRN O=c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c2sc3c(c21)CCCC3 ZINC000016429675 275042276 /nfs/dbraw/zinc/04/22/76/275042276.db2.gz XTPPTIANZNOWLE-UHFFFAOYSA-N 0 0 327.365 3.439 40 5 EGBBRN CCn1c(=O)c(C(C)=O)cc2c(=O)c3c(ccc4ccccc43)oc21 ZINC000001578704 276708856 /nfs/dbraw/zinc/70/88/56/276708856.db2.gz HDLPYCSHDWCXQU-UHFFFAOYSA-N 0 0 333.343 3.484 40 5 EGBBRN CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000239359528 455261750 /nfs/dbraw/zinc/26/17/50/455261750.db2.gz AEMXEQZATHCJMU-UHFFFAOYSA-N 0 0 337.738 3.378 40 5 EGBBRN COC(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000000564078 452624350 /nfs/dbraw/zinc/62/43/50/452624350.db2.gz UQVLCCWOTKFLOI-UHFFFAOYSA-N 0 0 329.308 3.047 40 5 EGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000004867204 452824637 /nfs/dbraw/zinc/82/46/37/452824637.db2.gz SUEGWYJSOVNNTE-UHFFFAOYSA-N 0 0 342.355 3.075 40 5 EGBBRN Cc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000005280817 452855027 /nfs/dbraw/zinc/85/50/27/452855027.db2.gz ASQAKAAKXXSJJH-UHFFFAOYSA-N 0 0 328.368 3.249 40 5 EGBBRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006296164 452931572 /nfs/dbraw/zinc/93/15/72/452931572.db2.gz YQDBGKCPSKGIFD-UHFFFAOYSA-N 0 0 345.380 3.284 40 5 EGBBRN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000006422981 452943691 /nfs/dbraw/zinc/94/36/91/452943691.db2.gz WASWYCWJSITAKF-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN Cc1nn(CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000007391444 453070489 /nfs/dbraw/zinc/07/04/89/453070489.db2.gz WWSZHTKOUXPLPJ-GLQYFDAESA-N 0 0 337.420 3.412 40 5 EGBBRN Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000014219413 453521044 /nfs/dbraw/zinc/52/10/44/453521044.db2.gz JKMAPDQLFJTGAZ-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN Cc1cc(C(=O)Nc2ccccc2N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000016105431 453594491 /nfs/dbraw/zinc/59/44/91/453594491.db2.gz IVSZAWURCMBJFQ-UHFFFAOYSA-N 0 0 339.351 3.282 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016733892 453620490 /nfs/dbraw/zinc/62/04/90/453620490.db2.gz BNEABTMGBAOLPK-ZDUSSCGKSA-N 0 0 334.397 3.285 40 5 EGBBRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000016780156 453622050 /nfs/dbraw/zinc/62/20/50/453622050.db2.gz GJUFWTNBHYRRRC-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN Cc1ccccc1[C@H](C)NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000024282394 453729776 /nfs/dbraw/zinc/72/97/76/453729776.db2.gz UJPHIATYKRJIDB-LBPRGKRZSA-N 0 0 332.331 3.299 40 5 EGBBRN CCNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000029229977 453827604 /nfs/dbraw/zinc/82/76/04/453827604.db2.gz WXVGJPVVWDKYFY-UHFFFAOYSA-N 0 0 328.324 3.044 40 5 EGBBRN Cc1nccn1-c1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000044904294 454125964 /nfs/dbraw/zinc/12/59/64/454125964.db2.gz RTKWILSLHPFSCL-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN CC(C)Oc1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046664262 454271603 /nfs/dbraw/zinc/27/16/03/454271603.db2.gz NIMZRARTXQIQEY-UHFFFAOYSA-N 0 0 328.368 3.241 40 5 EGBBRN CCSC1(CNc2ncc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000096420989 454335562 /nfs/dbraw/zinc/33/55/62/454335562.db2.gz MHYSGCBKLFUZFH-UHFFFAOYSA-N 0 0 331.825 3.357 40 5 EGBBRN CCc1ccc([C@H](COC)NC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000096423242 454338108 /nfs/dbraw/zinc/33/81/08/454338108.db2.gz AJJLQFNONIZAHW-AWEZNQCLSA-N 0 0 336.319 3.007 40 5 EGBBRN CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182843495 455176564 /nfs/dbraw/zinc/17/65/64/455176564.db2.gz AGHQWLKDOGLMSF-UHFFFAOYSA-N 0 0 344.751 3.212 40 5 EGBBRN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3nccs3)C2)c2ccncc21 ZINC000253424822 455844172 /nfs/dbraw/zinc/84/41/72/455844172.db2.gz ISWPUGDRAPVWJZ-OAHLLOKOSA-N 0 0 342.380 3.177 40 5 EGBBRN CN(Cc1ncc(Br)s1)Cc1ccccc1[N+](=O)[O-] ZINC000253427607 455846107 /nfs/dbraw/zinc/84/61/07/455846107.db2.gz WNSMZMHWESODFD-UHFFFAOYSA-N 0 0 342.218 3.446 40 5 EGBBRN CC(C)c1[nH]nc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1[N+](=O)[O-] ZINC000269426501 455846933 /nfs/dbraw/zinc/84/69/33/455846933.db2.gz YPDKCPUTWIVUBK-UHFFFAOYSA-N 0 0 346.343 3.201 40 5 EGBBRN O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3ccccn3)C2)c2ccncc21 ZINC000195513651 455975428 /nfs/dbraw/zinc/97/54/28/455975428.db2.gz DJHJCOPJFPUIMG-AWEZNQCLSA-N 0 0 349.394 3.476 40 5 EGBBRN CCc1ccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000225002894 456071203 /nfs/dbraw/zinc/07/12/03/456071203.db2.gz YLRCRNWMSOFZHL-UHFFFAOYSA-N 0 0 334.397 3.372 40 5 EGBBRN CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225010464 456071883 /nfs/dbraw/zinc/07/18/83/456071883.db2.gz GFUCNEQLXHXLPB-UHFFFAOYSA-N 0 0 342.323 3.088 40 5 EGBBRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000408532404 457580862 /nfs/dbraw/zinc/58/08/62/457580862.db2.gz XTSROYZAAVMYBQ-UHFFFAOYSA-N 0 0 339.282 3.410 40 5 EGBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccs1 ZINC000225136817 535406974 /nfs/dbraw/zinc/40/69/74/535406974.db2.gz HAXVXDJAONVVOG-UHFFFAOYSA-N 0 0 326.399 3.180 40 5 EGBBRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OC[C@H]2CCCO2)c1 ZINC000056303024 214369989 /nfs/dbraw/zinc/36/99/89/214369989.db2.gz PIJJAYQNBPNPIR-GFCCVEGCSA-N 0 0 346.339 3.306 40 5 EGBBRN COc1cc(OCC(=O)Nc2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000066012759 215003215 /nfs/dbraw/zinc/00/32/15/215003215.db2.gz PPAMYWRTAFTNOR-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000040070000 213257876 /nfs/dbraw/zinc/25/78/76/213257876.db2.gz ACUNJSOLSCWHMF-VIFPVBQESA-N 0 0 328.303 3.101 40 5 EGBBRN CC(C)(C)C[C@@H](NC(=O)CCn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000031800024 212749107 /nfs/dbraw/zinc/74/91/07/212749107.db2.gz VYXBIAIZDGUCMW-OAHLLOKOSA-N 0 0 344.415 3.475 40 5 EGBBRN CCCN1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000022699038 212318350 /nfs/dbraw/zinc/31/83/50/212318350.db2.gz KCALVMHEQIQDBB-UHFFFAOYSA-N 0 0 346.412 3.072 40 5 EGBBRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020107277 212101141 /nfs/dbraw/zinc/10/11/41/212101141.db2.gz ULMHDAYEGOOXJM-MRXNPFEDSA-N 0 0 330.340 3.400 40 5 EGBBRN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc([N+](=O)[O-])s1 ZINC000015940431 211869881 /nfs/dbraw/zinc/86/98/81/211869881.db2.gz HUFCAJDEYUITEP-UHFFFAOYSA-N 0 0 349.759 3.143 40 5 EGBBRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000009685541 211113166 /nfs/dbraw/zinc/11/31/66/211113166.db2.gz ACAGVYKAFQMBIB-UHFFFAOYSA-N 0 0 346.342 3.211 40 5 EGBBRN O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000004801941 285026374 /nfs/dbraw/zinc/02/63/74/285026374.db2.gz IVOQZIOOZAQGGT-HXUWFJFHSA-N 0 0 346.342 3.449 40 5 EGBBRN O=c1oc2ccc([N+](=O)[O-])cc2c(Nc2ccccc2)c1[N+](=O)[O-] ZINC000005595372 285228673 /nfs/dbraw/zinc/22/86/73/285228673.db2.gz LYNGEKPWILUIMR-UHFFFAOYSA-N 0 0 327.252 3.353 40 5 EGBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccncc2)o1 ZINC000409272436 257873133 /nfs/dbraw/zinc/87/31/33/257873133.db2.gz YSJBZCPJOAVSBR-UHFFFAOYSA-N 0 0 328.309 3.004 40 5 EGBBRN COc1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000014006500 257858980 /nfs/dbraw/zinc/85/89/80/257858980.db2.gz KOLRLHUGONKWET-GFCCVEGCSA-N 0 0 330.340 3.318 40 5 EGBBRN COc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000014006501 257859213 /nfs/dbraw/zinc/85/92/13/257859213.db2.gz KOLRLHUGONKWET-LBPRGKRZSA-N 0 0 330.340 3.318 40 5 EGBBRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000169619804 275556482 /nfs/dbraw/zinc/55/64/82/275556482.db2.gz OCQMARGICOQIJN-XRGAULLZSA-N 0 0 326.352 3.077 40 5 EGBBRN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CN(C)O[C@]32[N+](=O)[O-])cc1 ZINC000005814783 278852702 /nfs/dbraw/zinc/85/27/02/278852702.db2.gz AQLJSGVNGNMVKT-RYQLBKOJSA-N 0 0 326.352 3.062 40 5 EGBBRN Cc1ccc([C@H]2COCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000097098739 281002690 /nfs/dbraw/zinc/00/26/90/281002690.db2.gz HXMLTMYYNDNNQX-OAHLLOKOSA-N 0 0 345.355 3.410 40 5 EGBBRN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1c1ccccc1[N+](=O)[O-] ZINC000017316326 304722784 /nfs/dbraw/zinc/72/27/84/304722784.db2.gz OZAFAASCQFELKO-FQEVSTJZSA-N 0 0 346.342 3.449 40 5 EGBBRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cncnc1-c1ccccc1 ZINC000390833688 324283042 /nfs/dbraw/zinc/28/30/42/324283042.db2.gz LLRVDZIWGHXRLZ-UHFFFAOYSA-N 0 0 348.362 3.324 40 5 EGBBRN CC(C)(C)SCCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000239882266 455263409 /nfs/dbraw/zinc/26/34/09/455263409.db2.gz DAUVCPXAAIAJKC-UHFFFAOYSA-N 0 0 335.223 3.051 40 5 EGBBRN CCCn1cnc2c1nc(N)nc2SCc1ccccc1[N+](=O)[O-] ZINC000001676889 452675269 /nfs/dbraw/zinc/67/52/69/452675269.db2.gz RHWQPLXBAPVJHO-UHFFFAOYSA-N 0 0 344.400 3.019 40 5 EGBBRN CC(=O)Nc1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001750735 452676426 /nfs/dbraw/zinc/67/64/26/452676426.db2.gz LKNQELBAUNDHHF-UHFFFAOYSA-N 0 0 330.340 3.401 40 5 EGBBRN O=C1c2cccc3cccc(c32)C(=O)N1Nc1ccccc1[N+](=O)[O-] ZINC000004696715 452813556 /nfs/dbraw/zinc/81/35/56/452813556.db2.gz STEMZJLVVTZEFW-UHFFFAOYSA-N 0 0 333.303 3.371 40 5 EGBBRN COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000005107244 452838600 /nfs/dbraw/zinc/83/86/00/452838600.db2.gz ZBEXDTCNNOYXRA-CYBMUJFWSA-N 0 0 346.383 3.482 40 5 EGBBRN CC(=O)Nc1ccccc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006296175 452930247 /nfs/dbraw/zinc/93/02/47/452930247.db2.gz MECPXXRDEGEXOF-UHFFFAOYSA-N 0 0 345.380 3.284 40 5 EGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000007108158 453033297 /nfs/dbraw/zinc/03/32/97/453033297.db2.gz DXUJMYJWNUBINS-UHFFFAOYSA-N 0 0 337.690 3.427 40 5 EGBBRN COc1cccc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)c1 ZINC000007169031 453038948 /nfs/dbraw/zinc/03/89/48/453038948.db2.gz YWZIURHLBWZPDJ-UHFFFAOYSA-N 0 0 327.296 3.232 40 5 EGBBRN COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000013012359 453440652 /nfs/dbraw/zinc/44/06/52/453440652.db2.gz YEFRBYHMTCWJBX-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN CC1=NN(C(=S)c2ccccc2)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000016607892 453615539 /nfs/dbraw/zinc/61/55/39/453615539.db2.gz HHJJLYSLIQBWRX-KRWDZBQOSA-N 0 0 341.392 3.197 40 5 EGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000020528955 453666082 /nfs/dbraw/zinc/66/60/82/453666082.db2.gz CSMCCOFZAWOFAP-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN O=C(CCOc1ccc([N+](=O)[O-])cc1)NCCc1ccc(Cl)cc1 ZINC000031483799 453847904 /nfs/dbraw/zinc/84/79/04/453847904.db2.gz FWGMEIRBNKDQEY-UHFFFAOYSA-N 0 0 348.786 3.376 40 5 EGBBRN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000066184612 454665161 /nfs/dbraw/zinc/66/51/61/454665161.db2.gz WAZLBOMHKLJDNK-UHFFFAOYSA-N 0 0 344.367 3.322 40 5 EGBBRN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224744003 456069983 /nfs/dbraw/zinc/06/99/83/456069983.db2.gz OEWYXPMOHSEEMF-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000409081060 457593870 /nfs/dbraw/zinc/59/38/70/457593870.db2.gz GCDHPLKUYLYNHL-PTNGSMBKSA-N 0 0 345.424 3.327 40 5 EGBBRN COc1ccc(NC(=O)CN(C)c2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000053679267 214193725 /nfs/dbraw/zinc/19/37/25/214193725.db2.gz JFPJGCSIODSKSD-UHFFFAOYSA-N 0 0 343.383 3.295 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038859766 213229983 /nfs/dbraw/zinc/22/99/83/213229983.db2.gz YIYKUSZCURIXQS-UHFFFAOYSA-N 0 0 336.351 3.400 40 5 EGBBRN COc1cccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000000060088 209394388 /nfs/dbraw/zinc/39/43/88/209394388.db2.gz ZYEOINCNEWLZOB-OQLLNIDSSA-N 0 0 338.319 3.256 40 5 EGBBRN CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000022458191 212297966 /nfs/dbraw/zinc/29/79/66/212297966.db2.gz MYAVDFAKCGUMAS-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN O=C(NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005888870 283914365 /nfs/dbraw/zinc/91/43/65/283914365.db2.gz FFILVMZYDAIVPG-UHFFFAOYSA-N 0 0 345.355 3.058 40 5 EGBBRN CCCC(=O)[C@H](CC)C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000019863855 212077973 /nfs/dbraw/zinc/07/79/73/212077973.db2.gz OJNRAHDZFITYIB-AWEZNQCLSA-N 0 0 334.372 3.278 40 5 EGBBRN Nc1nc(NC(c2cccs2)c2cccs2)ncc1[N+](=O)[O-] ZINC000077985036 217010215 /nfs/dbraw/zinc/01/02/15/217010215.db2.gz VZVZEHVVZFOIRZ-UHFFFAOYSA-N 0 0 333.398 3.292 40 5 EGBBRN O=C(NC1CC1)[C@@H](Oc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012747723 211443642 /nfs/dbraw/zinc/44/36/42/211443642.db2.gz AAKVYVVHCVZFDW-INIZCTEOSA-N 0 0 330.315 3.133 40 5 EGBBRN O=Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000010967097 211197999 /nfs/dbraw/zinc/19/79/99/211197999.db2.gz PRDKCGPDHGWLOB-UHFFFAOYSA-N 0 0 334.715 3.078 40 5 EGBBRN CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000095405096 218340211 /nfs/dbraw/zinc/34/02/11/218340211.db2.gz VHTYHVKKNMNIPT-BXKDBHETSA-N 0 0 346.305 3.159 40 5 EGBBRN O=[N+]([O-])c1ccc2[nH]c(SC[C@H]3COc4ccccc4O3)nc2c1 ZINC000008553849 210964974 /nfs/dbraw/zinc/96/49/74/210964974.db2.gz ILVRWRLNONBZSX-LLVKDONJSA-N 0 0 343.364 3.403 40 5 EGBBRN Cc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000007375116 210788799 /nfs/dbraw/zinc/78/87/99/210788799.db2.gz OLRSKZIDOMAFFQ-AWEZNQCLSA-N 0 0 348.424 3.203 40 5 EGBBRN O=C(COc1ccc2c(c1)CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000096586437 218884752 /nfs/dbraw/zinc/88/47/52/218884752.db2.gz CYULHLGRDPRGMV-UHFFFAOYSA-N 0 0 326.352 3.491 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)CC1 ZINC000310479122 257857276 /nfs/dbraw/zinc/85/72/76/257857276.db2.gz MNVHHRXOWXOCGY-UHFFFAOYSA-N 0 0 339.395 3.120 40 5 EGBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC1CCCCCC1 ZINC000010543494 257860225 /nfs/dbraw/zinc/86/02/25/257860225.db2.gz KYCWRXSFBUUWAV-UHFFFAOYSA-N 0 0 326.418 3.234 40 5 EGBBRN COc1cccc(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000010542414 257860377 /nfs/dbraw/zinc/86/03/77/257860377.db2.gz DWVYVTZDRGFUQV-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224998403 257915645 /nfs/dbraw/zinc/91/56/45/257915645.db2.gz PVAQUAKQVRFCHL-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN Cc1ccc(CNc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000124120546 222378997 /nfs/dbraw/zinc/37/89/97/222378997.db2.gz VMJSDMRQULITQG-UHFFFAOYSA-N 0 0 341.411 3.348 40 5 EGBBRN CCN1CCN(c2c(Br)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000045886150 276202260 /nfs/dbraw/zinc/20/22/60/276202260.db2.gz DXJQLUGTWVSYBX-UHFFFAOYSA-N 0 0 348.628 3.153 40 5 EGBBRN CN(C)C1=C(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000100931294 282046527 /nfs/dbraw/zinc/04/65/27/282046527.db2.gz NGNJVNYVGPJSAI-UHFFFAOYSA-N 0 0 336.304 3.258 40 5 EGBBRN Cc1ccc(C[C@H](Nc2c([N+](=O)[O-])ncn2C)c2ccccn2)cc1 ZINC000096406547 301594613 /nfs/dbraw/zinc/59/46/13/301594613.db2.gz JERTYQTWMAFZEU-INIZCTEOSA-N 0 0 337.383 3.428 40 5 EGBBRN O=[N+]([O-])c1ccc(SC(=S)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000001569189 452667963 /nfs/dbraw/zinc/66/79/63/452667963.db2.gz WGHMTMZWAILAPJ-UHFFFAOYSA-N 0 0 327.387 3.366 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000003512413 452776238 /nfs/dbraw/zinc/77/62/38/452776238.db2.gz AOTOXXLNCBVMFA-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007643979 453097946 /nfs/dbraw/zinc/09/79/46/453097946.db2.gz FCBBOHMEFSZNMO-UHFFFAOYSA-N 0 0 341.367 3.295 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000015139467 453560154 /nfs/dbraw/zinc/56/01/54/453560154.db2.gz ISKQEZUSLRAJFH-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN CC(C)c1cc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000024864739 453749500 /nfs/dbraw/zinc/74/95/00/453749500.db2.gz FSCNMAICTDVVDZ-LBPRGKRZSA-N 0 0 346.387 3.338 40 5 EGBBRN O=C(Nc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC000025127496 453759699 /nfs/dbraw/zinc/75/96/99/453759699.db2.gz MDXMXVACBKPXRV-UHFFFAOYSA-N 0 0 340.335 3.300 40 5 EGBBRN Cc1cc(CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000031594170 453850031 /nfs/dbraw/zinc/85/00/31/453850031.db2.gz TUQIJQDOTYBYGS-UHFFFAOYSA-N 0 0 332.331 3.128 40 5 EGBBRN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000075536277 453902329 /nfs/dbraw/zinc/90/23/29/453902329.db2.gz PYKXZXIJFNHUKY-AWEZNQCLSA-N 0 0 331.376 3.218 40 5 EGBBRN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000041095186 453955785 /nfs/dbraw/zinc/95/57/85/453955785.db2.gz YGRSAFARKSDZHD-JTQLQIEISA-N 0 0 340.788 3.288 40 5 EGBBRN COCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000044549617 454106869 /nfs/dbraw/zinc/10/68/69/454106869.db2.gz TVYMNMWAOAHNOT-UHFFFAOYSA-N 0 0 332.381 3.472 40 5 EGBBRN C[C@H](NC(=O)NCc1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000069931213 454158846 /nfs/dbraw/zinc/15/88/46/454158846.db2.gz QZNTZAOYYLNQQJ-JTQLQIEISA-N 0 0 346.412 3.489 40 5 EGBBRN C[S@](=O)Cc1cc(Nc2ccncc2[N+](=O)[O-])ccc1Cl ZINC000096406550 454324771 /nfs/dbraw/zinc/32/47/71/454324771.db2.gz WMVVKJOBFXCYJZ-OAQYLSRUSA-N 0 0 325.777 3.265 40 5 EGBBRN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000078818686 454324899 /nfs/dbraw/zinc/32/48/99/454324899.db2.gz KQMZKXBZYYJELP-UHFFFAOYSA-N 0 0 343.314 3.335 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1 ZINC000096412388 454330651 /nfs/dbraw/zinc/33/06/51/454330651.db2.gz FPCOWAMKHZGRKO-UHFFFAOYSA-N 0 0 338.323 3.246 40 5 EGBBRN CCCC[C@@H](CC)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000224482235 456067972 /nfs/dbraw/zinc/06/79/72/456067972.db2.gz ZLGBZCOEQPIIJC-CYBMUJFWSA-N 0 0 328.434 3.231 40 5 EGBBRN CCCC[C@H](CC)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000224482283 456068211 /nfs/dbraw/zinc/06/82/11/456068211.db2.gz ZLGBZCOEQPIIJC-ZDUSSCGKSA-N 0 0 328.434 3.231 40 5 EGBBRN Cc1noc(C)c1CO[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000225460021 456083842 /nfs/dbraw/zinc/08/38/42/456083842.db2.gz CGKFNWMWHGWDHB-CQSZACIVSA-N 0 0 331.372 3.304 40 5 EGBBRN COc1ccc(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])c(F)c1 ZINC000225563483 456093639 /nfs/dbraw/zinc/09/36/39/456093639.db2.gz CAXMNYNPZVDLTN-UHFFFAOYSA-N 0 0 332.331 3.023 40 5 EGBBRN CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000306145519 456569015 /nfs/dbraw/zinc/56/90/15/456569015.db2.gz HKNAHVOOPBWKSF-NSHDSACASA-N 0 0 339.231 3.487 40 5 EGBBRN COc1cccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1 ZINC000408723728 457587997 /nfs/dbraw/zinc/58/79/97/457587997.db2.gz FVAQHFKPCOIMBR-UHFFFAOYSA-N 0 0 332.381 3.475 40 5 EGBBRN CCCc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000223373635 535420343 /nfs/dbraw/zinc/42/03/43/535420343.db2.gz XWIPKTWYINYIDJ-UHFFFAOYSA-N 0 0 328.368 3.356 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000021596236 546522941 /nfs/dbraw/zinc/52/29/41/546522941.db2.gz RRCGXLGKTALZPI-UHFFFAOYSA-N 0 0 333.344 3.169 40 5 EGBBRN O=C(c1ccccc1F)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000052243717 214122454 /nfs/dbraw/zinc/12/24/54/214122454.db2.gz WTGSYRTVPRUZNY-UHFFFAOYSA-N 0 0 343.358 3.451 40 5 EGBBRN Cc1ccccc1OC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000055693298 214338397 /nfs/dbraw/zinc/33/83/97/214338397.db2.gz AHJUTOOALUENKW-ZDUSSCGKSA-N 0 0 328.368 3.409 40 5 EGBBRN CSc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000003417764 210034561 /nfs/dbraw/zinc/03/45/61/210034561.db2.gz MJKHKGXNMLOAPY-UHFFFAOYSA-N 0 0 333.325 3.477 40 5 EGBBRN COc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000020457436 212132742 /nfs/dbraw/zinc/13/27/42/212132742.db2.gz IBGAPTQNKZRVQU-LBPRGKRZSA-N 0 0 344.367 3.032 40 5 EGBBRN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000015440137 211824989 /nfs/dbraw/zinc/82/49/89/211824989.db2.gz YMKBPNPNEJVEEZ-UHFFFAOYSA-N 0 0 344.367 3.193 40 5 EGBBRN Cc1nc(COc2ccc(/C=C/c3ccc([N+](=O)[O-])cn3)cc2)no1 ZINC000084503292 217608283 /nfs/dbraw/zinc/60/82/83/217608283.db2.gz IKNVJRSODNLICT-GORDUTHDSA-N 0 0 338.323 3.431 40 5 EGBBRN COc1ccc2[nH]c(=O)c(CNc3cc([N+](=O)[O-])ccc3C)cc2c1 ZINC000012493267 211393330 /nfs/dbraw/zinc/39/33/30/211393330.db2.gz XEVPLNBAULLVBP-UHFFFAOYSA-N 0 0 339.351 3.365 40 5 EGBBRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1CCCC1 ZINC000009647920 211112427 /nfs/dbraw/zinc/11/24/27/211112427.db2.gz QCTLYSWPPAUEKW-UHFFFAOYSA-N 0 0 338.307 3.243 40 5 EGBBRN O=C1CCCCN1c1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000057141928 132198535 /nfs/dbraw/zinc/19/85/35/132198535.db2.gz OAZLOOIMDBKTCD-UHFFFAOYSA-N 0 0 326.356 3.119 40 5 EGBBRN Cc1c(C(=O)Nc2ccccc2C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000027242270 262502486 /nfs/dbraw/zinc/50/24/86/262502486.db2.gz UJFOCLJRWZFKAP-UHFFFAOYSA-N 0 0 341.367 3.294 40 5 EGBBRN CCOC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@H]21 ZINC000104292620 279600579 /nfs/dbraw/zinc/60/05/79/279600579.db2.gz CXZFJVXIIXNXKO-KBAYOESNSA-N 0 0 338.363 3.256 40 5 EGBBRN Cc1c(NC(=O)[C@H](C)Nc2cnn(C(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000186261258 323726455 /nfs/dbraw/zinc/72/64/55/323726455.db2.gz NSKQJLJUJFTVMJ-LBPRGKRZSA-N 0 0 345.403 3.294 40 5 EGBBRN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000003201507 452748482 /nfs/dbraw/zinc/74/84/82/452748482.db2.gz CBWDFVUSLSIDOW-UHFFFAOYSA-N 0 0 345.311 3.137 40 5 EGBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 ZINC000005776573 452901736 /nfs/dbraw/zinc/90/17/36/452901736.db2.gz HZSFVHFKLLROGP-CQSZACIVSA-N 0 0 334.715 3.027 40 5 EGBBRN Cc1ccc(NC(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006479221 452946622 /nfs/dbraw/zinc/94/66/22/452946622.db2.gz XYIVLUHLPJXCJQ-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000007093523 453031567 /nfs/dbraw/zinc/03/15/67/453031567.db2.gz CBBCIZOOVBPZAA-UHFFFAOYSA-N 0 0 328.393 3.417 40 5 EGBBRN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)ccc1F ZINC000007405695 453071333 /nfs/dbraw/zinc/07/13/33/453071333.db2.gz JSYGFLLMGAGNHC-UHFFFAOYSA-N 0 0 336.344 3.023 40 5 EGBBRN Cc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000013009467 453438567 /nfs/dbraw/zinc/43/85/67/453438567.db2.gz UUTFYTJLJYSXGM-UHFFFAOYSA-N 0 0 348.424 3.341 40 5 EGBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)CC(C)C ZINC000014257733 453527873 /nfs/dbraw/zinc/52/78/73/453527873.db2.gz VOFPOCOHZIYWFQ-UHFFFAOYSA-N 0 0 329.809 3.416 40 5 EGBBRN CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016084496 453593111 /nfs/dbraw/zinc/59/31/11/453593111.db2.gz LNOVMOLGUXEKAF-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN COC(=O)[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000024046961 453723103 /nfs/dbraw/zinc/72/31/03/453723103.db2.gz BQZPPQIVCALDRJ-AWEZNQCLSA-N 0 0 349.726 3.319 40 5 EGBBRN CCc1ccc(CN(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1 ZINC000024634009 453740756 /nfs/dbraw/zinc/74/07/56/453740756.db2.gz UPQOVGHQJBVYHZ-UHFFFAOYSA-N 0 0 327.384 3.471 40 5 EGBBRN O=C(c1cc2c(ccc3ccccc32)oc1=O)n1nnc2ccccc21 ZINC000036627505 453928833 /nfs/dbraw/zinc/92/88/33/453928833.db2.gz FCSSJLUNBNKZJW-UHFFFAOYSA-N 0 0 341.326 3.379 40 5 EGBBRN CC(C)(C)OC(=O)N1CC[C@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000085333722 454023124 /nfs/dbraw/zinc/02/31/24/454023124.db2.gz LCJCMDUCTDSZFL-NSHDSACASA-N 0 0 339.417 3.339 40 5 EGBBRN CCOc1ccc(-c2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000085384510 454024948 /nfs/dbraw/zinc/02/49/48/454024948.db2.gz KXMGFSNKAVVNGJ-UHFFFAOYSA-N 0 0 340.339 3.454 40 5 EGBBRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCc2cc(F)cc(F)c21 ZINC000043267483 454050933 /nfs/dbraw/zinc/05/09/33/454050933.db2.gz UIDJUYJBZKMZRX-UHFFFAOYSA-N 0 0 348.305 3.231 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(F)c(F)c1 ZINC000057008144 454096259 /nfs/dbraw/zinc/09/62/59/454096259.db2.gz JAVVLLSUMYJZLN-UHFFFAOYSA-N 0 0 342.323 3.007 40 5 EGBBRN Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc3c(c2)OCO3)n1 ZINC000071977417 454264323 /nfs/dbraw/zinc/26/43/23/454264323.db2.gz HVCXRJASSLCFSO-UHFFFAOYSA-N 0 0 336.307 3.030 40 5 EGBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(OC)cc1 ZINC000072228867 454276701 /nfs/dbraw/zinc/27/67/01/454276701.db2.gz NVGAHGIJQHPFEE-UHFFFAOYSA-N 0 0 344.367 3.492 40 5 EGBBRN O=C(c1csc([C@@H]2CCCO2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000096484863 454366796 /nfs/dbraw/zinc/36/67/96/454366796.db2.gz FLYRKQWHWDJPNM-AWEZNQCLSA-N 0 0 345.380 3.106 40 5 EGBBRN O=[N+]([O-])c1cc(Cl)c(NC[C@@]2(CCO)CCOC2)c(Cl)c1 ZINC000097096847 454405191 /nfs/dbraw/zinc/40/51/91/454405191.db2.gz HWJRSCPVGJNBGC-CYBMUJFWSA-N 0 0 335.187 3.103 40 5 EGBBRN Cc1cc(NC(=O)C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000080588963 454602044 /nfs/dbraw/zinc/60/20/44/454602044.db2.gz QYSJOWFHPIREKR-UHFFFAOYSA-N 0 0 344.371 3.055 40 5 EGBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000224692014 456068879 /nfs/dbraw/zinc/06/88/79/456068879.db2.gz VOLKHVBKUQHCGD-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(F)cc1 ZINC000224918788 456071228 /nfs/dbraw/zinc/07/12/28/456071228.db2.gz RENZFYBDKPUZOF-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccn2)o1 ZINC000408583836 457582781 /nfs/dbraw/zinc/58/27/81/457582781.db2.gz XGJAFIJDWOOSCZ-UHFFFAOYSA-N 0 0 328.309 3.004 40 5 EGBBRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCc3c(Cl)cccc32)n1 ZINC000253432932 523484798 /nfs/dbraw/zinc/48/47/98/523484798.db2.gz PYZSYFYWLYEJCE-UHFFFAOYSA-N 0 0 348.790 3.448 40 5 EGBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000224680782 536487809 /nfs/dbraw/zinc/48/78/09/536487809.db2.gz HGDLVLVKXNQPMJ-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN C[C@H](NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000199421874 1296088499 /nfs/dbraw/zinc/08/84/99/1296088499.db2.gz GFTHEMHJUQJXFR-ZDUSSCGKSA-N 0 0 341.367 3.191 40 5 EGBBRN Cc1ccccc1OC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055693345 214338363 /nfs/dbraw/zinc/33/83/63/214338363.db2.gz RYHSZAHPAIPCPS-CQSZACIVSA-N 0 0 328.368 3.029 40 5 EGBBRN CCn1c(=O)c2c(nc1SCc1ccc([N+](=O)[O-])cc1)CCS2 ZINC000004339354 210174845 /nfs/dbraw/zinc/17/48/45/210174845.db2.gz OZZJLELWWNHSEU-UHFFFAOYSA-N 0 0 349.437 3.112 40 5 EGBBRN CCC[C@H](C)NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000022623885 212312397 /nfs/dbraw/zinc/31/23/97/212312397.db2.gz ODZLPXREJDBWCV-QMMMGPOBSA-N 0 0 332.303 3.123 40 5 EGBBRN Cc1cc(C)cc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000022480095 212301005 /nfs/dbraw/zinc/30/10/05/212301005.db2.gz DPLGPBPIYDGTRW-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN CCc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000080435943 217303780 /nfs/dbraw/zinc/30/37/80/217303780.db2.gz FTPKQMOEEFUUAJ-UHFFFAOYSA-N 0 0 343.261 3.094 40 5 EGBBRN Cc1[nH]nc(SCC(=O)Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000006382098 210626817 /nfs/dbraw/zinc/62/68/17/210626817.db2.gz VWGGTLPKPCCTDL-UHFFFAOYSA-N 0 0 344.755 3.150 40 5 EGBBRN O=c1c2ccccc2n(Cc2nc([C@@H]3CCOC3)no2)c2ccccc12 ZINC000096462694 218844392 /nfs/dbraw/zinc/84/43/92/218844392.db2.gz FIJZXLWHWCMPMJ-CYBMUJFWSA-N 0 0 347.374 3.090 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccncc2)n1 ZINC000408583505 257895688 /nfs/dbraw/zinc/89/56/88/257895688.db2.gz VESMUYXQEQXXOY-UHFFFAOYSA-N 0 0 341.352 3.129 40 5 EGBBRN CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000013669652 257912194 /nfs/dbraw/zinc/91/21/94/257912194.db2.gz UAGRMTHXVXDMTB-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN Cc1c(I)cc(Br)cc1[N+](=O)[O-] ZINC000014983131 280240020 /nfs/dbraw/zinc/24/00/20/280240020.db2.gz DJUBNZOEBVGNEZ-UHFFFAOYSA-N 0 0 341.930 3.270 40 5 EGBBRN Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2n1 ZINC000005394212 280541299 /nfs/dbraw/zinc/54/12/99/280541299.db2.gz GQHPHMUMDTUGON-UHFFFAOYSA-N 0 0 333.303 3.252 40 5 EGBBRN C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000006622948 288259762 /nfs/dbraw/zinc/25/97/62/288259762.db2.gz XYKCRPWCZWKBME-ZIAGYGMSSA-N 0 0 340.379 3.439 40 5 EGBBRN O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)N1CCc2ccccc21 ZINC000000032706 452493267 /nfs/dbraw/zinc/49/32/67/452493267.db2.gz FQGWMYMMDNHLLV-UHFFFAOYSA-N 0 0 348.362 3.043 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000001993346 452682538 /nfs/dbraw/zinc/68/25/38/452682538.db2.gz NTNCQSKVDMVLQT-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000001993316 452683721 /nfs/dbraw/zinc/68/37/21/452683721.db2.gz JELQGIJDVAOCED-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN CCCSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2 ZINC000002459590 452697898 /nfs/dbraw/zinc/69/78/98/452697898.db2.gz JZHQMAQEIYVPDW-UHFFFAOYSA-N 0 0 349.437 3.291 40 5 EGBBRN Cc1cc(C)cc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000003506634 452773724 /nfs/dbraw/zinc/77/37/24/452773724.db2.gz PMPDOSKATYIJLS-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN Cc1ccc(O[C@@H](C)c2nnc(-c3ccccc3)o2)c([N+](=O)[O-])n1 ZINC000005259840 452853766 /nfs/dbraw/zinc/85/37/66/452853766.db2.gz VZATUDDCALKJKK-NSHDSACASA-N 0 0 326.312 3.488 40 5 EGBBRN O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(N3CCCCC3)n2)c1 ZINC000005338071 452860081 /nfs/dbraw/zinc/86/00/81/452860081.db2.gz ATJIQKYYTXVMDZ-UHFFFAOYSA-N 0 0 334.767 3.167 40 5 EGBBRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006824234 452996010 /nfs/dbraw/zinc/99/60/10/452996010.db2.gz GROXKUHPMGEVHM-LLVKDONJSA-N 0 0 330.340 3.103 40 5 EGBBRN O=[N+]([O-])c1ncccc1OCCOc1cccc(Br)c1 ZINC000007044957 453021792 /nfs/dbraw/zinc/02/17/92/453021792.db2.gz VFIOSPDAUNLBRA-UHFFFAOYSA-N 0 0 339.145 3.210 40 5 EGBBRN CC[C@H](C)n1nccc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000007168351 453039389 /nfs/dbraw/zinc/03/93/89/453039389.db2.gz OHURKHPSTWLKGR-RYUDHWBXSA-N 0 0 332.360 3.168 40 5 EGBBRN CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000008204444 453177278 /nfs/dbraw/zinc/17/72/78/453177278.db2.gz YBIOMXBQPQPFRT-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccco3)nc21 ZINC000010010618 453272741 /nfs/dbraw/zinc/27/27/41/453272741.db2.gz XAONOVCEVGIWQT-SNAWJCMRSA-N 0 0 345.336 3.458 40 5 EGBBRN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000024581078 453738984 /nfs/dbraw/zinc/73/89/84/453738984.db2.gz UUHHGEZXKLESGP-UHFFFAOYSA-N 0 0 332.331 3.323 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccccc2)s1 ZINC000028281835 453822956 /nfs/dbraw/zinc/82/29/56/453822956.db2.gz LIOLDPRFXHOXRR-UHFFFAOYSA-N 0 0 340.364 3.295 40 5 EGBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccn(-c2ccccc2)n1 ZINC000031482992 453847733 /nfs/dbraw/zinc/84/77/33/453847733.db2.gz AZSSOCIZAZIDJZ-UHFFFAOYSA-N 0 0 326.287 3.172 40 5 EGBBRN Cc1noc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)n1 ZINC000053576534 453888710 /nfs/dbraw/zinc/88/87/10/453888710.db2.gz IJNFUIGGINXVHJ-GFCCVEGCSA-N 0 0 339.355 3.218 40 5 EGBBRN CCc1ccc([C@@H](COC)NC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000096423241 454337602 /nfs/dbraw/zinc/33/76/02/454337602.db2.gz AJJLQFNONIZAHW-CQSZACIVSA-N 0 0 336.319 3.007 40 5 EGBBRN CCO[C@H](C)c1nc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cs1 ZINC000096424888 454338378 /nfs/dbraw/zinc/33/83/78/454338378.db2.gz RSDCFSCOAKEMPE-SECBINFHSA-N 0 0 349.368 3.105 40 5 EGBBRN COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(-c3nc[nH]n3)c2)c1 ZINC000096446535 454354128 /nfs/dbraw/zinc/35/41/28/454354128.db2.gz SSQZSVCTGSREOV-UHFFFAOYSA-N 0 0 343.318 3.140 40 5 EGBBRN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000047678025 454398880 /nfs/dbraw/zinc/39/88/80/454398880.db2.gz IMFAQSRWYBFUFL-UHFFFAOYSA-N 0 0 326.287 3.172 40 5 EGBBRN COCc1ccc([C@@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000161786502 454723230 /nfs/dbraw/zinc/72/32/30/454723230.db2.gz FXFVWVPDAIUDSW-INIZCTEOSA-N 0 0 344.367 3.240 40 5 EGBBRN Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000223381763 456056236 /nfs/dbraw/zinc/05/62/36/456056236.db2.gz ZEBDLSCGBKWEMB-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN CCc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000223375438 456056561 /nfs/dbraw/zinc/05/65/61/456056561.db2.gz WBBKWWMNEKWJRJ-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN CCCC[C@H](CC)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223975873 456062825 /nfs/dbraw/zinc/06/28/25/456062825.db2.gz HAZZWPFSGHHYFN-ZDUSSCGKSA-N 0 0 328.434 3.398 40 5 EGBBRN COCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000224402505 456066389 /nfs/dbraw/zinc/06/63/89/456066389.db2.gz CZUAYCCFTHUWTI-UHFFFAOYSA-N 0 0 330.340 3.311 40 5 EGBBRN CCN(c1ccccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776344 456069743 /nfs/dbraw/zinc/06/97/43/456069743.db2.gz DSTJPLJCOXQPSI-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN C[C@H](O)CN(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000360925969 457437370 /nfs/dbraw/zinc/43/73/70/457437370.db2.gz RSDKAFQFAKIBSN-LBPRGKRZSA-N 0 0 346.408 3.199 40 5 EGBBRN COc1cccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000066436390 215042240 /nfs/dbraw/zinc/04/22/40/215042240.db2.gz GQMHYNYIQGMNPX-FMIVXFBMSA-N 0 0 340.379 3.366 40 5 EGBBRN COc1cc(OCC(=O)N[C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000068787784 215334263 /nfs/dbraw/zinc/33/42/63/215334263.db2.gz KGTWPMCCKCEBRI-ZDUSSCGKSA-N 0 0 344.367 3.168 40 5 EGBBRN CCCn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000040398744 213297584 /nfs/dbraw/zinc/29/75/84/213297584.db2.gz WMBQDIOLBYMSTB-UHFFFAOYSA-N 0 0 345.402 3.170 40 5 EGBBRN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000036620418 213104922 /nfs/dbraw/zinc/10/49/22/213104922.db2.gz HESFCTNSWWMGIW-QGZVFWFLSA-N 0 0 346.408 3.429 40 5 EGBBRN Cc1c(C(=O)NCc2ccccc2-n2ccnc2)cccc1[N+](=O)[O-] ZINC000022509561 212301718 /nfs/dbraw/zinc/30/17/18/212301718.db2.gz UIYMXMMOFKWBBI-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN Cc1nccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000216436348 241193104 /nfs/dbraw/zinc/19/31/04/241193104.db2.gz AOHOBUKXIZMYIK-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000216821906 241212307 /nfs/dbraw/zinc/21/23/07/241212307.db2.gz AKJJEZFZLKNWOY-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN Cc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000223901168 241705837 /nfs/dbraw/zinc/70/58/37/241705837.db2.gz GUBQWNIFFQVAFX-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN O=C(COc1cccc2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000225530761 241914697 /nfs/dbraw/zinc/91/46/97/241914697.db2.gz NKGYLTXZJJQOCM-UHFFFAOYSA-N 0 0 326.352 3.491 40 5 EGBBRN Cc1ncsc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080040765 217274603 /nfs/dbraw/zinc/27/46/03/217274603.db2.gz IPFCXUITZBNQDN-UHFFFAOYSA-N 0 0 345.302 3.309 40 5 EGBBRN COc1ccc(C)cc1NC(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000009834519 211126622 /nfs/dbraw/zinc/12/66/22/211126622.db2.gz UPXOQHVXTBLOPV-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN CCN(CC)C(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000009363822 211073066 /nfs/dbraw/zinc/07/30/66/211073066.db2.gz XCVNIHYBXZODOB-UHFFFAOYSA-N 0 0 341.367 3.329 40 5 EGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)C1CC1 ZINC000007889622 210860998 /nfs/dbraw/zinc/86/09/98/210860998.db2.gz PRIYDODVTQNQLA-UHFFFAOYSA-N 0 0 344.342 3.304 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005814582 210541837 /nfs/dbraw/zinc/54/18/37/210541837.db2.gz RZPVYSZETLDHAX-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN O=[N+]([O-])c1cnc(N[C@@H](Cn2cncn2)c2ccccc2)c(Cl)c1 ZINC000096429582 218802952 /nfs/dbraw/zinc/80/29/52/218802952.db2.gz YDAARYBNVPXYHN-AWEZNQCLSA-N 0 0 344.762 3.088 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000096432874 218808681 /nfs/dbraw/zinc/80/86/81/218808681.db2.gz FGKXYMSWHKHTLX-YJBOKZPZSA-N 0 0 340.379 3.323 40 5 EGBBRN COC(=O)c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000005675193 210514690 /nfs/dbraw/zinc/51/46/90/210514690.db2.gz NZUAOXNUYZABFC-BJMVGYQFSA-N 0 0 327.292 3.000 40 5 EGBBRN CC(=O)c1ccc(N(C)Cc2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000096453886 218837796 /nfs/dbraw/zinc/83/77/96/218837796.db2.gz AZDHPCNNOIDSML-XMMPIXPASA-N 0 0 346.408 3.171 40 5 EGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(CCO)C1CCCCC1 ZINC000005103407 210390125 /nfs/dbraw/zinc/39/01/25/210390125.db2.gz LYZCJDZHKZSPAK-UHFFFAOYSA-N 0 0 341.795 3.407 40 5 EGBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@@H](c1ccccc1O)C3O ZINC000104240518 285143619 /nfs/dbraw/zinc/14/36/19/285143619.db2.gz RICVAEYERHHTIB-HNNXBMFYSA-N 0 0 325.280 3.297 40 5 EGBBRN CCc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009064168 257862515 /nfs/dbraw/zinc/86/25/15/257862515.db2.gz RIKBASUKBVTOHL-UHFFFAOYSA-N 0 0 329.381 3.284 40 5 EGBBRN C[C@@H]1C[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCO1 ZINC000390833953 324284156 /nfs/dbraw/zinc/28/41/56/324284156.db2.gz PIQRQQYJKWIOPL-MNOVXSKESA-N 0 0 342.355 3.332 40 5 EGBBRN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccco1 ZINC000000290870 452555054 /nfs/dbraw/zinc/55/50/54/452555054.db2.gz ULWDBWHXYUCIPU-UHFFFAOYSA-N 0 0 341.279 3.285 40 5 EGBBRN CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccccc1O ZINC000004998478 452830715 /nfs/dbraw/zinc/83/07/15/452830715.db2.gz GYWXBYUVIJPDRI-UHFFFAOYSA-N 0 0 343.368 3.125 40 5 EGBBRN Cc1ccc(O[C@H](C(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000005278117 452854116 /nfs/dbraw/zinc/85/41/16/452854116.db2.gz GFJBMWKRIZBJJK-INIZCTEOSA-N 0 0 341.367 3.041 40 5 EGBBRN CCOc1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005499914 452879215 /nfs/dbraw/zinc/87/92/15/452879215.db2.gz CFQYVCLCLNXWIG-UHFFFAOYSA-N 0 0 345.380 3.120 40 5 EGBBRN Cc1ccccc1NC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000006525619 452950829 /nfs/dbraw/zinc/95/08/29/452950829.db2.gz VAHPYGPUFXOBDG-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000007168345 453039462 /nfs/dbraw/zinc/03/94/62/453039462.db2.gz OHURKHPSTWLKGR-NEPJUHHUSA-N 0 0 332.360 3.168 40 5 EGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000007309932 453058585 /nfs/dbraw/zinc/05/85/85/453058585.db2.gz DERVOFBKLWDICD-ZDUSSCGKSA-N 0 0 338.410 3.182 40 5 EGBBRN COC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000007792194 453116308 /nfs/dbraw/zinc/11/63/08/453116308.db2.gz APKMHULLCURJDU-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN Cc1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000008062752 453156377 /nfs/dbraw/zinc/15/63/77/453156377.db2.gz WXKSSWMLRHYSHF-VQHVLOKHSA-N 0 0 340.379 3.420 40 5 EGBBRN CC(C)OC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000014421578 453535388 /nfs/dbraw/zinc/53/53/88/453535388.db2.gz ZMXCPEYEAOFPDF-UHFFFAOYSA-N 0 0 328.324 3.412 40 5 EGBBRN C=C/C=C\C(=C/C)COc1ccc([N+](=O)[O-])c(OCC(=O)OC)c1 ZINC000016137301 453595869 /nfs/dbraw/zinc/59/58/69/453595869.db2.gz JERYYXFVKSQJOA-ZQNRWWJISA-N 0 0 333.340 3.214 40 5 EGBBRN Cc1ccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000016591578 453613212 /nfs/dbraw/zinc/61/32/12/453613212.db2.gz PBNKUGCSXQVWEV-NSHDSACASA-N 0 0 345.321 3.116 40 5 EGBBRN CC1=NN(C(=S)c2ccccc2)[C@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000016607894 453615935 /nfs/dbraw/zinc/61/59/35/453615935.db2.gz HHJJLYSLIQBWRX-QGZVFWFLSA-N 0 0 341.392 3.197 40 5 EGBBRN Cc1nc(C(C)(C)NC(=O)COc2ccc([N+](=O)[O-])cc2)sc1C ZINC000076476395 454004898 /nfs/dbraw/zinc/00/48/98/454004898.db2.gz RDYPYFWOOPKYGG-UHFFFAOYSA-N 0 0 349.412 3.098 40 5 EGBBRN Cc1ccc([C@H](C[N+](=O)[O-])c2c(=O)[nH][nH]c2-c2ccccc2O)cc1 ZINC000095867968 454232174 /nfs/dbraw/zinc/23/21/74/454232174.db2.gz OMJOHIRNKHTCMV-AWEZNQCLSA-N 0 0 339.351 3.205 40 5 EGBBRN COc1cc(OC)cc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000072228741 454276407 /nfs/dbraw/zinc/27/64/07/454276407.db2.gz OHBSZIPNZXAUMX-UHFFFAOYSA-N 0 0 330.340 3.481 40 5 EGBBRN O=C(c1ccncc1Cl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000096481372 454365568 /nfs/dbraw/zinc/36/55/68/454365568.db2.gz DHJYUEPEQSNORL-UHFFFAOYSA-N 0 0 331.759 3.448 40 5 EGBBRN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000096496776 454370481 /nfs/dbraw/zinc/37/04/81/454370481.db2.gz GJMNSJZNACZMKK-QMMMGPOBSA-N 0 0 328.250 3.010 40 5 EGBBRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(C(C)C)cc1 ZINC000048342715 454476013 /nfs/dbraw/zinc/47/60/13/454476013.db2.gz URVATJJIWGYCPO-UHFFFAOYSA-N 0 0 343.383 3.230 40 5 EGBBRN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000223184526 456054003 /nfs/dbraw/zinc/05/40/03/456054003.db2.gz ZSWJBBIOUOWFDO-LBPRGKRZSA-N 0 0 346.408 3.123 40 5 EGBBRN Cc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000224766275 456069919 /nfs/dbraw/zinc/06/99/19/456069919.db2.gz GKRVCAMYYXAKLK-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN O=[N+]([O-])c1ccc2oc(Cc3nc4cc([N+](=O)[O-])ccc4o3)nc2c1 ZINC000226249626 456107010 /nfs/dbraw/zinc/10/70/10/456107010.db2.gz TUAJDOCAGVGYIP-UHFFFAOYSA-N 0 0 340.251 3.376 40 5 EGBBRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000562863 209666329 /nfs/dbraw/zinc/66/63/29/209666329.db2.gz QVLCGHBWPIOZMX-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(C(F)(F)F)s1 ZINC000192844602 239911717 /nfs/dbraw/zinc/91/17/17/239911717.db2.gz UDRNHUCXRZSNRS-UHFFFAOYSA-N 0 0 339.324 3.141 40 5 EGBBRN CCOc1ccccc1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000022511603 212303387 /nfs/dbraw/zinc/30/33/87/212303387.db2.gz HZCBKTXMTOYNGE-ZHACJKMWSA-N 0 0 326.352 3.323 40 5 EGBBRN Cn1cc(-c2cc(CSc3ccc([N+](=O)[O-])cc3F)on2)cn1 ZINC000193513179 240194481 /nfs/dbraw/zinc/19/44/81/240194481.db2.gz MWBALHGJBCAYGU-UHFFFAOYSA-N 0 0 334.332 3.415 40 5 EGBBRN COC(=O)/C=C/c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000216898362 241219714 /nfs/dbraw/zinc/21/97/14/241219714.db2.gz OBHOOMDOUOULAG-UXBLZVDNSA-N 0 0 343.335 3.369 40 5 EGBBRN CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000217864894 241278629 /nfs/dbraw/zinc/27/86/29/241278629.db2.gz UKOUWEQHQSPZRT-UHFFFAOYSA-N 0 0 344.367 3.322 40 5 EGBBRN Cc1c(C(=O)NCCOc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000021904497 212262619 /nfs/dbraw/zinc/26/26/19/212262619.db2.gz MEOZXKLNVBDTRO-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000020460314 212133993 /nfs/dbraw/zinc/13/39/93/212133993.db2.gz QMXBLFKLTOQERO-QGZVFWFLSA-N 0 0 348.424 3.474 40 5 EGBBRN O=C(c1sccc1OC(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149133 217025727 /nfs/dbraw/zinc/02/57/27/217025727.db2.gz GEQDKYDGSGIESY-UHFFFAOYSA-N 0 0 340.307 3.461 40 5 EGBBRN O=c1ccc(-c2ccccc2)nn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000078440783 217052613 /nfs/dbraw/zinc/05/26/13/217052613.db2.gz UBEVBUFBFHEVLG-UHFFFAOYSA-N 0 0 325.299 3.006 40 5 EGBBRN C[C@H]1CCc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000011429037 211217261 /nfs/dbraw/zinc/21/72/61/211217261.db2.gz RIZYVBFZTOFJLO-JTQLQIEISA-N 0 0 331.397 3.357 40 5 EGBBRN COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000009064278 211037612 /nfs/dbraw/zinc/03/76/12/211037612.db2.gz LPOAOGAXTKJUOF-UHFFFAOYSA-N 0 0 345.380 3.039 40 5 EGBBRN CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000095405097 218339998 /nfs/dbraw/zinc/33/99/98/218339998.db2.gz VHTYHVKKNMNIPT-CABZTGNLSA-N 0 0 346.305 3.159 40 5 EGBBRN Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000007376002 210790517 /nfs/dbraw/zinc/79/05/17/210790517.db2.gz DFNJQMUUPDAGFT-INIZCTEOSA-N 0 0 346.408 3.259 40 5 EGBBRN N=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1nccs1 ZINC000006221052 210602537 /nfs/dbraw/zinc/60/25/37/210602537.db2.gz DCVRFHCCEBHFPF-ULJDAWQFSA-N 0 0 332.366 3.107 40 5 EGBBRN O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000002771271 275002141 /nfs/dbraw/zinc/00/21/41/275002141.db2.gz INTSXMFMIGNSKP-UHFFFAOYSA-N 0 0 344.308 3.365 40 5 EGBBRN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024190860 289763218 /nfs/dbraw/zinc/76/32/18/289763218.db2.gz HREABTNCXRPURV-UHFFFAOYSA-N 0 0 339.395 3.467 40 5 EGBBRN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000000344556 452568634 /nfs/dbraw/zinc/56/86/34/452568634.db2.gz KNTAKZFYRVUNNC-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000524702 452611831 /nfs/dbraw/zinc/61/18/31/452611831.db2.gz YFACSHNGXFJKSG-UHFFFAOYSA-N 0 0 326.761 3.357 40 5 EGBBRN Cc1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000001906221 452682000 /nfs/dbraw/zinc/68/20/00/452682000.db2.gz YVPVMOHYHNDUFF-JXMROGBWSA-N 0 0 326.352 3.112 40 5 EGBBRN Cc1ccc(O[C@H](C)c2nnc(-c3ccccc3)o2)c([N+](=O)[O-])n1 ZINC000005259841 452852959 /nfs/dbraw/zinc/85/29/59/452852959.db2.gz VZATUDDCALKJKK-LLVKDONJSA-N 0 0 326.312 3.488 40 5 EGBBRN CN(CCO)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000005611302 452887546 /nfs/dbraw/zinc/88/75/46/452887546.db2.gz WJXJYVMUBYQMSC-UHFFFAOYSA-N 0 0 343.386 3.020 40 5 EGBBRN CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc1C ZINC000006047308 452917351 /nfs/dbraw/zinc/91/73/51/452917351.db2.gz KKDXSVPGWMBKBA-UHFFFAOYSA-N 0 0 349.368 3.097 40 5 EGBBRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000006324130 452935863 /nfs/dbraw/zinc/93/58/63/452935863.db2.gz TZJSREVJHCDHRU-UHFFFAOYSA-N 0 0 341.367 3.295 40 5 EGBBRN Cc1cccc(NC(=O)CCC(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000006523037 452950530 /nfs/dbraw/zinc/95/05/30/452950530.db2.gz JACDTVGISBTALS-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN O=C(NCCSCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000007637799 453096017 /nfs/dbraw/zinc/09/60/17/453096017.db2.gz KXWCDCOBNWIIJM-UHFFFAOYSA-N 0 0 334.372 3.397 40 5 EGBBRN CCOc1ccccc1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013632491 453476108 /nfs/dbraw/zinc/47/61/08/453476108.db2.gz FEEWXVXWCYFKGC-UHFFFAOYSA-N 0 0 328.368 3.356 40 5 EGBBRN O=[N+]([O-])c1ccc(NCCc2ccc(Br)s2)nc1 ZINC000014808933 453545033 /nfs/dbraw/zinc/54/50/33/453545033.db2.gz SJAFDPQZANNZGT-UHFFFAOYSA-N 0 0 328.191 3.468 40 5 EGBBRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(-c2ccco2)o1 ZINC000016419799 453604771 /nfs/dbraw/zinc/60/47/71/453604771.db2.gz LMTMXMNECIAHAX-NSHDSACASA-N 0 0 328.328 3.431 40 5 EGBBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1 ZINC000017067471 453627357 /nfs/dbraw/zinc/62/73/57/453627357.db2.gz MGKZTIYJRBAXEV-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN CCOc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1OC ZINC000085384518 454025383 /nfs/dbraw/zinc/02/53/83/454025383.db2.gz LEWUYKPCZPBNAI-UHFFFAOYSA-N 0 0 340.339 3.454 40 5 EGBBRN CS(=O)(=O)c1cccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000071955218 454261920 /nfs/dbraw/zinc/26/19/20/454261920.db2.gz LVTQYVSCMYYQKA-UHFFFAOYSA-N 0 0 344.348 3.339 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(C)s2)c1 ZINC000096413907 454330123 /nfs/dbraw/zinc/33/01/23/454330123.db2.gz LMBVAXVOZFJBOL-JTQLQIEISA-N 0 0 334.397 3.334 40 5 EGBBRN Cc1nc2c(s1)[C@@H](N(C)C(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000096425154 454338360 /nfs/dbraw/zinc/33/83/60/454338360.db2.gz OTCJICDPWPIHBU-HNNXBMFYSA-N 0 0 345.424 3.438 40 5 EGBBRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000096433167 454344586 /nfs/dbraw/zinc/34/45/86/454344586.db2.gz IRSRZHHAKCTHEP-SWLSCSKDSA-N 0 0 346.387 3.083 40 5 EGBBRN Cc1nnc(-c2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)o1 ZINC000183002300 455207432 /nfs/dbraw/zinc/20/74/32/455207432.db2.gz JINOBUMHTQVVLC-UHFFFAOYSA-N 0 0 339.307 3.310 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000223436881 456057449 /nfs/dbraw/zinc/05/74/49/456057449.db2.gz QCGVKPICCUCJPQ-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000004070385 527530864 /nfs/dbraw/zinc/53/08/64/527530864.db2.gz XYMFIINTFGBQTK-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000217867112 535884657 /nfs/dbraw/zinc/88/46/57/535884657.db2.gz SAMUPBJVIPGXDA-HNNXBMFYSA-N 0 0 344.367 3.493 40 5 EGBBRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000028220433 1291302214 /nfs/dbraw/zinc/30/22/14/1291302214.db2.gz WGUCNMYQUSGKGO-UHFFFAOYSA-N 0 0 340.314 3.231 40 5 EGBBRN Cc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000055667940 214336868 /nfs/dbraw/zinc/33/68/68/214336868.db2.gz YRXANCXWQKJODK-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN O=C(CN(C1=NCCS1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000098027847 219071248 /nfs/dbraw/zinc/07/12/48/219071248.db2.gz MWXJYMWRWJABCT-UHFFFAOYSA-N 0 0 341.392 3.387 40 5 EGBBRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccco1 ZINC000003902736 210089230 /nfs/dbraw/zinc/08/92/30/210089230.db2.gz DLAHLAXLBDOBCK-UHFFFAOYSA-N 0 0 332.359 3.064 40 5 EGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2ccnc2)cc1 ZINC000022512189 212303170 /nfs/dbraw/zinc/30/31/70/212303170.db2.gz UVOIIAYGPMPQGH-BJMVGYQFSA-N 0 0 348.362 3.110 40 5 EGBBRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccsc1 ZINC000195576743 241023243 /nfs/dbraw/zinc/02/32/43/241023243.db2.gz RHOAQUAUTAEUAV-JTQLQIEISA-N 0 0 340.426 3.275 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000016093299 211883512 /nfs/dbraw/zinc/88/35/12/211883512.db2.gz XKPHRPDTXPNWSC-UHFFFAOYSA-N 0 0 328.434 3.396 40 5 EGBBRN COc1ccc(C(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000095093302 218281003 /nfs/dbraw/zinc/28/10/03/218281003.db2.gz BNHPCIZXJFGDSL-UHFFFAOYSA-N 0 0 348.742 3.468 40 5 EGBBRN CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000095405098 218340605 /nfs/dbraw/zinc/34/06/05/218340605.db2.gz VHTYHVKKNMNIPT-JOYOIKCWSA-N 0 0 346.305 3.159 40 5 EGBBRN NC(=O)c1ccccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000042295461 257691429 /nfs/dbraw/zinc/69/14/29/257691429.db2.gz QAFQGYZBHARUFV-UHFFFAOYSA-N 0 0 337.129 3.249 40 5 EGBBRN COC(=O)c1ccccc1N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000327897570 258003072 /nfs/dbraw/zinc/00/30/72/258003072.db2.gz RDSCPZBKZGAFQW-LBPRGKRZSA-N 0 0 342.351 3.148 40 5 EGBBRN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000245238781 258073043 /nfs/dbraw/zinc/07/30/43/258073043.db2.gz AWDGCGQJABHEHG-SUNYJGFJSA-N 0 0 331.368 3.393 40 5 EGBBRN CC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000008148071 275503912 /nfs/dbraw/zinc/50/39/12/275503912.db2.gz BTXIXSKQGJONTG-UHFFFAOYSA-N 0 0 343.358 3.263 40 5 EGBBRN Cc1cc(Br)c(I)c([N+](=O)[O-])c1 ZINC000001610386 278625946 /nfs/dbraw/zinc/62/59/46/278625946.db2.gz YCSGRZHNOVLPGF-UHFFFAOYSA-N 0 0 341.930 3.270 40 5 EGBBRN O=[N+]([O-])c1cn(Cc2cc(Br)ccc2OC(F)F)cn1 ZINC000068983217 323214396 /nfs/dbraw/zinc/21/43/96/323214396.db2.gz BPSNFHBFIJRRBQ-UHFFFAOYSA-N 0 0 348.103 3.204 40 5 EGBBRN COC[C@@H](C)n1c(C)cc(C(=O)COc2ccccc2[N+](=O)[O-])c1C ZINC000005869651 452907865 /nfs/dbraw/zinc/90/78/65/452907865.db2.gz QDIUYNBGUMOPIY-CYBMUJFWSA-N 0 0 346.383 3.482 40 5 EGBBRN Cc1ccc(SCCNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000007932733 453137325 /nfs/dbraw/zinc/13/73/25/453137325.db2.gz PWYYFPBFSKIOCL-UHFFFAOYSA-N 0 0 346.408 3.191 40 5 EGBBRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000009141566 453244131 /nfs/dbraw/zinc/24/41/31/453244131.db2.gz KUDOPGMOUNMTMD-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN CCc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000014219114 453520899 /nfs/dbraw/zinc/52/08/99/453520899.db2.gz JMJLCWOGALZCGU-GFCCVEGCSA-N 0 0 334.397 3.197 40 5 EGBBRN Cc1ccc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000016591577 453613371 /nfs/dbraw/zinc/61/33/71/453613371.db2.gz PBNKUGCSXQVWEV-LLVKDONJSA-N 0 0 345.321 3.116 40 5 EGBBRN CC(C)(C)C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017071002 453628354 /nfs/dbraw/zinc/62/83/54/453628354.db2.gz DQBQPJPGUQVDFR-UHFFFAOYSA-N 0 0 338.414 3.064 40 5 EGBBRN Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000017826585 453638681 /nfs/dbraw/zinc/63/86/81/453638681.db2.gz AREUSYGBXBEHQJ-UHFFFAOYSA-N 0 0 327.384 3.160 40 5 EGBBRN COc1cc(COC(=O)C=C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000024958982 453752474 /nfs/dbraw/zinc/75/24/74/453752474.db2.gz ROODENLKTCGQJY-UHFFFAOYSA-N 0 0 331.271 3.214 40 5 EGBBRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCO2 ZINC000026241111 453795372 /nfs/dbraw/zinc/79/53/72/453795372.db2.gz JGCIJIOMUDDQGH-UHFFFAOYSA-N 0 0 333.727 3.445 40 5 EGBBRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CCCC2 ZINC000032815871 453891857 /nfs/dbraw/zinc/89/18/57/453891857.db2.gz WFFFPVCHCPVNJQ-UHFFFAOYSA-N 0 0 326.352 3.491 40 5 EGBBRN O=C(NC1CCCCC1)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000033660072 453916862 /nfs/dbraw/zinc/91/68/62/453916862.db2.gz MOSJWWGHGXKFQV-UHFFFAOYSA-N 0 0 326.356 3.114 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccc2ccccc21 ZINC000042645429 454018019 /nfs/dbraw/zinc/01/80/19/454018019.db2.gz DSGSCMWTDLNGRA-UHFFFAOYSA-N 0 0 325.324 3.197 40 5 EGBBRN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@H]4[C@@H]5C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]45)c([N+](=O)[O-])c1 ZINC000043761789 454077292 /nfs/dbraw/zinc/07/72/92/454077292.db2.gz NEBJMRBTFOQIIY-WWSXBEFZSA-N 0 0 342.351 3.166 40 5 EGBBRN N[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533952 454231199 /nfs/dbraw/zinc/23/11/99/454231199.db2.gz KJQWQZGXQFNYID-CYBMUJFWSA-N 0 0 329.747 3.081 40 5 EGBBRN O=c1/c(=C/C=C/c2ccccc2[N+](=O)[O-])sc2nc3ccccc3n12 ZINC000059418378 454259184 /nfs/dbraw/zinc/25/91/84/454259184.db2.gz HPBXYWNBNRYKEA-PFKGSKDKSA-N 0 0 349.371 3.030 40 5 EGBBRN CCOc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060573129 454303351 /nfs/dbraw/zinc/30/33/51/454303351.db2.gz RYACXAQPCVTFFR-UHFFFAOYSA-N 0 0 329.308 3.033 40 5 EGBBRN CS(=O)(=O)c1ccccc1SCc1csc([N+](=O)[O-])c1 ZINC000096410915 454328359 /nfs/dbraw/zinc/32/83/59/454328359.db2.gz SUICSLOGTHTVSJ-UHFFFAOYSA-N 0 0 329.424 3.352 40 5 EGBBRN O=[N+]([O-])c1cc(CNc2ccccc2CN2CCOCC2)cs1 ZINC000096427446 454340042 /nfs/dbraw/zinc/34/00/42/454340042.db2.gz NKNCGNDESLMNAX-UHFFFAOYSA-N 0 0 333.413 3.101 40 5 EGBBRN COC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000096445151 454351698 /nfs/dbraw/zinc/35/16/98/454351698.db2.gz JQRWEJKOMMAYFK-LBPRGKRZSA-N 0 0 338.747 3.267 40 5 EGBBRN Cc1cc(Cc2nc3cc(F)c(F)cc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000096474310 454362072 /nfs/dbraw/zinc/36/20/72/454362072.db2.gz PLFBJQXYFCKRNF-UHFFFAOYSA-N 0 0 331.278 3.009 40 5 EGBBRN C[C@H](C[C@H](O)c1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000096487402 454366994 /nfs/dbraw/zinc/36/69/94/454366994.db2.gz GHVVKRIIRBFATL-SKDRFNHKSA-N 0 0 338.747 3.083 40 5 EGBBRN CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1cc(C)nc2ccccc21 ZINC000097237945 454428911 /nfs/dbraw/zinc/42/89/11/454428911.db2.gz BZXRIQLVDOCCBJ-UHFFFAOYSA-N 0 0 339.355 3.229 40 5 EGBBRN Cc1ccc(C(=O)NCc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000048354137 454478466 /nfs/dbraw/zinc/47/84/66/454478466.db2.gz RQZVPLMEOLLJGQ-UHFFFAOYSA-N 0 0 329.356 3.015 40 5 EGBBRN COc1ccc2[nH]c(SCC(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000123797036 454675644 /nfs/dbraw/zinc/67/56/44/454675644.db2.gz BSPPKGDHLADPFX-UHFFFAOYSA-N 0 0 343.364 3.455 40 5 EGBBRN O=C(Nc1ccc2c(c1)OCO2)c1coc2ccc([N+](=O)[O-])cc12 ZINC000140116756 454816590 /nfs/dbraw/zinc/81/65/90/454816590.db2.gz BTISBXISHUEGPR-UHFFFAOYSA-N 0 0 326.264 3.322 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000194262088 455821053 /nfs/dbraw/zinc/82/10/53/455821053.db2.gz VOQRFDBUDILODU-UHFFFAOYSA-N 0 0 343.339 3.128 40 5 EGBBRN Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004575 456071955 /nfs/dbraw/zinc/07/19/55/456071955.db2.gz GENMLWSPRPMFMC-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN O=C(C1C=C(Br)C([N+](=O)[O-])=N1)C(Cl)(Cl)Cl ZINC000117913513 1424788671 /nfs/dbraw/zinc/78/86/71/1424788671.db2.gz ZGZKCCGGECTWAS-UHFFFAOYSA-N 0 0 336.356 3.238 40 5 EGBBRN CC(=O)c1ccc(NCCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000054124941 214217790 /nfs/dbraw/zinc/21/77/90/214217790.db2.gz APEYWXGTPPEVIJ-UHFFFAOYSA-N 0 0 333.388 3.048 40 5 EGBBRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OC[C@@H]2CCCO2)c1 ZINC000056303023 214369239 /nfs/dbraw/zinc/36/92/39/214369239.db2.gz PIJJAYQNBPNPIR-LBPRGKRZSA-N 0 0 346.339 3.306 40 5 EGBBRN Cc1c(NC(=O)c2ccc(Cn3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000038860236 213230176 /nfs/dbraw/zinc/23/01/76/213230176.db2.gz VVYBTTTWBMQVNU-UHFFFAOYSA-N 0 0 336.351 3.400 40 5 EGBBRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000037668605 213161953 /nfs/dbraw/zinc/16/19/53/213161953.db2.gz YPBKEXXXBKYQMZ-UHFFFAOYSA-N 0 0 335.157 3.287 40 5 EGBBRN O=C(Cc1ccccc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000000194545 209476998 /nfs/dbraw/zinc/47/69/98/209476998.db2.gz IFQSSMVMIPFEOA-UHFFFAOYSA-N 0 0 340.364 3.295 40 5 EGBBRN Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CN(C)O[C@]32[N+](=O)[O-])cc1 ZINC000230025158 242225367 /nfs/dbraw/zinc/22/53/67/242225367.db2.gz AQLJSGVNGNMVKT-BPQIPLTHSA-N 0 0 326.352 3.062 40 5 EGBBRN C[C@]12C[C@H](NC(=O)N1c1ccccc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000000424836 291446289 /nfs/dbraw/zinc/44/62/89/291446289.db2.gz AFKVTCGOVIGACP-YOEHRIQHSA-N 0 0 325.324 3.364 40 5 EGBBRN Cc1c(NC(=O)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000008137092 210902164 /nfs/dbraw/zinc/90/21/64/210902164.db2.gz STLGUVBWOAJROZ-UHFFFAOYSA-N 0 0 339.351 3.282 40 5 EGBBRN CSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000007321796 210783754 /nfs/dbraw/zinc/78/37/54/210783754.db2.gz MVTMIUDMUJHERG-UHFFFAOYSA-N 0 0 330.778 3.074 40 5 EGBBRN CCOc1ccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 ZINC000005703202 210521190 /nfs/dbraw/zinc/52/11/90/210521190.db2.gz FCERRPYREUPWMM-PTNGSMBKSA-N 0 0 338.319 3.338 40 5 EGBBRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000005598632 210497732 /nfs/dbraw/zinc/49/77/32/210497732.db2.gz AUZPAAKBMKCXQG-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN CC(=O)OCCC/C(=C\c1ccc(Br)cc1)[N+](=O)[O-] ZINC000004994647 210354657 /nfs/dbraw/zinc/35/46/57/210354657.db2.gz VNUVHIMWJCALSE-UKTHLTGXSA-N 0 0 328.162 3.410 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000003506640 208561558 /nfs/dbraw/zinc/56/15/58/208561558.db2.gz JZSWDSMZIAKQDU-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN COc1cccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000010542412 257860457 /nfs/dbraw/zinc/86/04/57/257860457.db2.gz PFYMAGPVZPZTAA-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1cccc([N+](=O)[O-])c1)c3=O ZINC000223095963 280026227 /nfs/dbraw/zinc/02/62/27/280026227.db2.gz WPDFKJDCJSBAKQ-NSHDSACASA-N 0 0 349.346 3.279 40 5 EGBBRN C[C@H]1C[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCO1 ZINC000390833955 324283920 /nfs/dbraw/zinc/28/39/20/324283920.db2.gz PIQRQQYJKWIOPL-WDEREUQCSA-N 0 0 342.355 3.332 40 5 EGBBRN COc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000000568912 452626304 /nfs/dbraw/zinc/62/63/04/452626304.db2.gz RPOCTAFBSSUFTF-UHFFFAOYSA-N 0 0 330.384 3.158 40 5 EGBBRN O=[N+]([O-])c1ccccc1N1CSc2nnc(-c3ccccc3)n2C1 ZINC000003843315 452785180 /nfs/dbraw/zinc/78/51/80/452785180.db2.gz AJBPRWPPWQREGS-UHFFFAOYSA-N 0 0 339.380 3.381 40 5 EGBBRN Cc1cc(C)cc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000005697704 452895825 /nfs/dbraw/zinc/89/58/25/452895825.db2.gz SMXXOKRYBNBNED-VOTSOKGWSA-N 0 0 340.379 3.420 40 5 EGBBRN O=C(c1ccccc1)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000008055836 453156426 /nfs/dbraw/zinc/15/64/26/453156426.db2.gz DMBPXEUJBGCXKO-OAHLLOKOSA-N 0 0 326.352 3.417 40 5 EGBBRN O=C(CNc1cccc([N+](=O)[O-])c1)NCCc1ccc(Cl)cc1 ZINC000008391471 453200367 /nfs/dbraw/zinc/20/03/67/453200367.db2.gz KKZYBTDTDXQGSE-UHFFFAOYSA-N 0 0 333.775 3.019 40 5 EGBBRN C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000014898711 453547131 /nfs/dbraw/zinc/54/71/31/453547131.db2.gz ZYDQPSHCZWMQKW-OAHLLOKOSA-N 0 0 334.419 3.413 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000016088953 453593412 /nfs/dbraw/zinc/59/34/12/453593412.db2.gz FCAWCIPVRVGTGI-UHFFFAOYSA-N 0 0 340.788 3.035 40 5 EGBBRN COc1cc([N+](=O)[O-])cc2cc(C(=O)Nn3c(C)ccc3C)oc21 ZINC000059549640 454260555 /nfs/dbraw/zinc/26/05/55/454260555.db2.gz SMJASKNQEJPICA-UHFFFAOYSA-N 0 0 329.312 3.152 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000096432873 454343231 /nfs/dbraw/zinc/34/32/31/454343231.db2.gz FGKXYMSWHKHTLX-MAUKXSAKSA-N 0 0 340.379 3.323 40 5 EGBBRN Cc1ncc([N+](=O)[O-])n1Cc1cc(Br)cc2cccnc21 ZINC000096469538 454361514 /nfs/dbraw/zinc/36/15/14/454361514.db2.gz GDCCVXXDRYCENA-UHFFFAOYSA-N 0 0 347.172 3.459 40 5 EGBBRN C[C@@H](CNc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000096475451 454362993 /nfs/dbraw/zinc/36/29/93/454362993.db2.gz OJDWLUHYOMIAGV-AWEZNQCLSA-N 0 0 327.384 3.144 40 5 EGBBRN O=C(c1cnccn1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063449636 454413998 /nfs/dbraw/zinc/41/39/98/454413998.db2.gz IIZNPKSMIMTOCM-UHFFFAOYSA-N 0 0 332.747 3.095 40 5 EGBBRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CNc2ccccc2)c1 ZINC000252509619 455817411 /nfs/dbraw/zinc/81/74/11/455817411.db2.gz YSFSTJHTWUIPBW-CYBMUJFWSA-N 0 0 343.383 3.224 40 5 EGBBRN CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032213 456071947 /nfs/dbraw/zinc/07/19/47/456071947.db2.gz FWGNESNXIFYALL-UHFFFAOYSA-N 0 0 342.323 3.088 40 5 EGBBRN Cc1noc(C)c1CO[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000225460055 456083771 /nfs/dbraw/zinc/08/37/71/456083771.db2.gz CGKFNWMWHGWDHB-AWEZNQCLSA-N 0 0 331.372 3.304 40 5 EGBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408732480 457587941 /nfs/dbraw/zinc/58/79/41/457587941.db2.gz VORDXGJVZSTZTI-AWEZNQCLSA-N 0 0 349.412 3.137 40 5 EGBBRN COc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000055547309 214328146 /nfs/dbraw/zinc/32/81/46/214328146.db2.gz FHDZTYSDTIYGCZ-UHFFFAOYSA-N 0 0 336.369 3.021 40 5 EGBBRN CC(=O)C(C(C)=O)[C@H](c1ccccc1)[C@H](Cc1ccccc1)[N+](=O)[O-] ZINC000101403534 219126227 /nfs/dbraw/zinc/12/62/27/219126227.db2.gz IXJSAWCSDWQGLA-AZUAARDMSA-N 0 0 339.391 3.452 40 5 EGBBRN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000003462663 210046563 /nfs/dbraw/zinc/04/65/63/210046563.db2.gz DWJHLBHVWNPLNZ-IZZDOVSWSA-N 0 0 325.324 3.205 40 5 EGBBRN CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000068731455 215330553 /nfs/dbraw/zinc/33/05/53/215330553.db2.gz SQHRNBZODSRURY-NSHDSACASA-N 0 0 346.314 3.343 40 5 EGBBRN Cc1noc(C)c1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127693994 222872281 /nfs/dbraw/zinc/87/22/81/222872281.db2.gz XNTXGPXBZBQGML-UHFFFAOYSA-N 0 0 343.261 3.148 40 5 EGBBRN CCN(Cc1cccs1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000040105597 213265138 /nfs/dbraw/zinc/26/51/38/213265138.db2.gz AEKDQRUFJHWQEE-UHFFFAOYSA-N 0 0 340.426 3.176 40 5 EGBBRN COc1ccc(OC)c(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000020447906 212130063 /nfs/dbraw/zinc/13/00/63/212130063.db2.gz SHPQQNIUFLKXAU-UHFFFAOYSA-N 0 0 330.340 3.102 40 5 EGBBRN O=C(Nc1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])ccc1-2)C(F)(F)F ZINC000001580945 284321615 /nfs/dbraw/zinc/32/16/15/284321615.db2.gz MZQVVRUEPVDLIT-UHFFFAOYSA-N 0 0 336.225 3.307 40 5 EGBBRN Cc1cccnc1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000079358085 217215350 /nfs/dbraw/zinc/21/53/50/217215350.db2.gz ZDOVPKNETWQFJK-KRWDZBQOSA-N 0 0 327.384 3.354 40 5 EGBBRN COc1cc(NCc2ccc(Cn3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000080948821 217343996 /nfs/dbraw/zinc/34/39/96/217343996.db2.gz XFKYSZONUZYMHB-UHFFFAOYSA-N 0 0 338.367 3.460 40 5 EGBBRN Cc1ccc([C@H]2CSCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000081347695 217386538 /nfs/dbraw/zinc/38/65/38/217386538.db2.gz NSGGXVRYZQLKAA-OAHLLOKOSA-N 0 0 346.408 3.355 40 5 EGBBRN CC(C)=CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011582990 211223346 /nfs/dbraw/zinc/22/33/46/211223346.db2.gz BBSMDAKTSHJOKO-SECBINFHSA-N 0 0 326.736 3.085 40 5 EGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000010925586 211196571 /nfs/dbraw/zinc/19/65/71/211196571.db2.gz LJFODNASTSHEOM-UHFFFAOYSA-N 0 0 339.351 3.125 40 5 EGBBRN CCc1nnc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1C ZINC000096485489 218862401 /nfs/dbraw/zinc/86/24/01/218862401.db2.gz DJHSMZJNQCIBSR-UHFFFAOYSA-N 0 0 345.384 3.233 40 5 EGBBRN C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000096487404 218864257 /nfs/dbraw/zinc/86/42/57/218864257.db2.gz GHVVKRIIRBFATL-BXKDBHETSA-N 0 0 338.747 3.083 40 5 EGBBRN COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000005082335 210386351 /nfs/dbraw/zinc/38/63/51/210386351.db2.gz BFIUBUXBEMNFJN-JYRVWZFOSA-N 0 0 327.292 3.037 40 5 EGBBRN COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000014258210 257858813 /nfs/dbraw/zinc/85/88/13/257858813.db2.gz SWZZVAIGMRPMCX-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN O=[N+]([O-])c1cccnc1N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000078343396 280376369 /nfs/dbraw/zinc/37/63/69/280376369.db2.gz UJHPYWFAUAYHKE-UHFFFAOYSA-N 0 0 341.293 3.116 40 5 EGBBRN O=c1c2ccccc2nc2c3ccccc3c(N3CCCCC3)nn12 ZINC000000293704 280392483 /nfs/dbraw/zinc/39/24/83/280392483.db2.gz GYUGXNLRXHOVME-UHFFFAOYSA-N 0 0 330.391 3.386 40 5 EGBBRN Cc1c([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2C(C)C)nn1C ZINC000225586434 301012807 /nfs/dbraw/zinc/01/28/07/301012807.db2.gz ODAXWJOCINDZPJ-CQSZACIVSA-N 0 0 342.399 3.254 40 5 EGBBRN O=C(c1ccn(C2CCCCC2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000390833409 324283423 /nfs/dbraw/zinc/28/34/23/324283423.db2.gz HCAJZUGYLCHRNI-UHFFFAOYSA-N 0 0 340.383 3.499 40 5 EGBBRN Cc1cc(=O)oc2cc(OC(=O)c3cccs3)c([N+](=O)[O-])cc12 ZINC000000151923 452523247 /nfs/dbraw/zinc/52/32/47/452523247.db2.gz DQBZBLLUEVSGML-UHFFFAOYSA-N 0 0 331.305 3.290 40 5 EGBBRN CCOc1ccc2ccccc2c1[C@H]1NC(=O)N(C)C(C)=C1[N+](=O)[O-] ZINC000000358557 452570711 /nfs/dbraw/zinc/57/07/11/452570711.db2.gz RNSDNURFLGBCHP-MRXNPFEDSA-N 0 0 341.367 3.443 40 5 EGBBRN COc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000577656 452628184 /nfs/dbraw/zinc/62/81/84/452628184.db2.gz PYBUUWZVTPBALH-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=C2)Oc2ccccc2N1C ZINC000001587450 452670658 /nfs/dbraw/zinc/67/06/58/452670658.db2.gz UIMUWQDVRLHOEW-QGZVFWFLSA-N 0 0 326.308 3.192 40 5 EGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001934390 452681558 /nfs/dbraw/zinc/68/15/58/452681558.db2.gz KXYJZDIXFQZIJH-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003845370 452785240 /nfs/dbraw/zinc/78/52/40/452785240.db2.gz AWDGCGQJABHEHG-QWQRMKEZSA-N 0 0 331.368 3.393 40 5 EGBBRN COC(=O)c1ccc(C(=O)OC)c2nc3cc(Cl)ccc3nc12 ZINC000005813556 452903818 /nfs/dbraw/zinc/90/38/18/452903818.db2.gz ZTUMVGQYJAINRG-UHFFFAOYSA-N 0 0 330.727 3.010 40 5 EGBBRN COC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000006235878 452927738 /nfs/dbraw/zinc/92/77/38/452927738.db2.gz AYBSXAJAGATHLW-UHFFFAOYSA-N 0 0 328.324 3.251 40 5 EGBBRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCSc2ccccc21 ZINC000006589701 452957510 /nfs/dbraw/zinc/95/75/10/452957510.db2.gz QPZOSJYJCZJPNX-ZDUSSCGKSA-N 0 0 344.392 3.327 40 5 EGBBRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000007218125 453046045 /nfs/dbraw/zinc/04/60/45/453046045.db2.gz QFNCRNZEBPEUIS-NSHDSACASA-N 0 0 338.360 3.082 40 5 EGBBRN CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007248815 453049931 /nfs/dbraw/zinc/04/99/31/453049931.db2.gz ULHLJGVITOPNRQ-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN O=C1c2cccc(Br)c2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000008433927 453204599 /nfs/dbraw/zinc/20/45/99/453204599.db2.gz QKASRTOYMSEHJA-UHFFFAOYSA-N 0 0 347.124 3.158 40 5 EGBBRN Nc1nccnc1C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000012537479 453370796 /nfs/dbraw/zinc/37/07/96/453370796.db2.gz OPKISADTURDPJL-UHFFFAOYSA-N 0 0 330.347 3.117 40 5 EGBBRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000012777066 453402915 /nfs/dbraw/zinc/40/29/15/453402915.db2.gz QHBQAOYSMZXKLJ-MCFWBGNESA-N 0 0 346.408 3.165 40 5 EGBBRN COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000013670710 453479799 /nfs/dbraw/zinc/47/97/99/453479799.db2.gz MANKRRHAYDOEEL-UHFFFAOYSA-N 0 0 344.367 3.321 40 5 EGBBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014401901 453533971 /nfs/dbraw/zinc/53/39/71/453533971.db2.gz VLIIZIDBZGBALP-INIZCTEOSA-N 0 0 330.340 3.400 40 5 EGBBRN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccccc1 ZINC000016450957 453607454 /nfs/dbraw/zinc/60/74/54/453607454.db2.gz GCBUKMDODDCWTO-JYRVWZFOSA-N 0 0 327.727 3.166 40 5 EGBBRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000016780154 453622704 /nfs/dbraw/zinc/62/27/04/453622704.db2.gz GJUFWTNBHYRRRC-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000026508776 453801781 /nfs/dbraw/zinc/80/17/81/453801781.db2.gz KHGLRXMHMFKTNQ-SNVBAGLBSA-N 0 0 337.332 3.059 40 5 EGBBRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000031546650 453848701 /nfs/dbraw/zinc/84/87/01/453848701.db2.gz COEYMPRWRIOEAZ-MEDUHNTESA-N 0 0 339.351 3.442 40 5 EGBBRN Cc1nn(Cc2ccc(SC(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000075108406 453861617 /nfs/dbraw/zinc/86/16/17/453861617.db2.gz DJMCVCHRLGIZEM-UHFFFAOYSA-N 0 0 334.401 3.230 40 5 EGBBRN Cc1noc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)n1 ZINC000053576536 453888985 /nfs/dbraw/zinc/88/89/85/453888985.db2.gz IJNFUIGGINXVHJ-LBPRGKRZSA-N 0 0 339.355 3.218 40 5 EGBBRN CCCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000033634563 453916712 /nfs/dbraw/zinc/91/67/12/453916712.db2.gz ZOBVZTFTXUNIMR-UHFFFAOYSA-N 0 0 344.367 3.322 40 5 EGBBRN O=C(NCc1ccncc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000036627489 453928424 /nfs/dbraw/zinc/92/84/24/453928424.db2.gz SSHZJKRBPXGLEI-UHFFFAOYSA-N 0 0 330.343 3.271 40 5 EGBBRN CCCOC(=O)c1cc(Cl)c(Sc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000070462507 454169588 /nfs/dbraw/zinc/16/95/88/454169588.db2.gz LMALROJHBYXXDY-UHFFFAOYSA-N 0 0 342.764 3.084 40 5 EGBBRN N[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533943 454231129 /nfs/dbraw/zinc/23/11/29/454231129.db2.gz YXOLAQIAKUAYLS-ZDUSSCGKSA-N 0 0 329.747 3.081 40 5 EGBBRN CCN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225019543 456071850 /nfs/dbraw/zinc/07/18/50/456071850.db2.gz GAHXWSZCLBQNAF-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OC(C)=O ZINC000408542469 457580154 /nfs/dbraw/zinc/58/01/54/457580154.db2.gz JQMWQLWNDADVFM-VURMDHGXSA-N 0 0 332.312 3.386 40 5 EGBBRN CCCOc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408586727 457582301 /nfs/dbraw/zinc/58/23/01/457582301.db2.gz OZWFAHMNRZUEFI-UHFFFAOYSA-N 0 0 343.335 3.423 40 5 EGBBRN CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2ccccc21 ZINC000408713070 457586429 /nfs/dbraw/zinc/58/64/29/457586429.db2.gz JCBKQVFPUCGWBY-UHFFFAOYSA-N 0 0 337.335 3.182 40 5 EGBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)S2)cc1 ZINC000408773115 457587596 /nfs/dbraw/zinc/58/75/96/457587596.db2.gz STHSQMLYBSNBRS-OVHOFWQVSA-N 0 0 345.380 3.350 40 5 EGBBRN COc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000042109729 524800523 /nfs/dbraw/zinc/80/05/23/524800523.db2.gz LJIAQBRPWHRPII-QGZVFWFLSA-N 0 0 339.351 3.297 40 5 EGBBRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC)c2nccs2)c1 ZINC000225778583 535428561 /nfs/dbraw/zinc/42/85/61/535428561.db2.gz CRHUREDBYNZTBH-GFCCVEGCSA-N 0 0 335.385 3.331 40 5 EGBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000226862998 1424788617 /nfs/dbraw/zinc/78/86/17/1424788617.db2.gz JNTZBJUGSWRLLX-UHFFFAOYSA-N 0 0 344.751 3.497 40 5 EGBBRN CCc1nc2n(n1)[C@@H](c1ccco1)CC(c1ccc([N+](=O)[O-])cc1)=N2 ZINC000100068418 219089803 /nfs/dbraw/zinc/08/98/03/219089803.db2.gz BGYLHHIJLILZQH-CQSZACIVSA-N 0 0 337.339 3.398 40 5 EGBBRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC000100105911 219091972 /nfs/dbraw/zinc/09/19/72/219091972.db2.gz CSASRJFSOBYKCA-TXEJJXNPSA-N 0 0 336.392 3.238 40 5 EGBBRN O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003398875 210028965 /nfs/dbraw/zinc/02/89/65/210028965.db2.gz LBTAGGXWBHTKBI-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN Cc1c(C(=O)NC[C@@H](C)N2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000040072802 213258152 /nfs/dbraw/zinc/25/81/52/213258152.db2.gz NUXKQVNAIJBPEO-CYBMUJFWSA-N 0 0 339.395 3.084 40 5 EGBBRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000032380094 212799630 /nfs/dbraw/zinc/79/96/30/212799630.db2.gz WSKOQXXUACNKPF-SFHVURJKSA-N 0 0 342.399 3.229 40 5 EGBBRN CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000073042944 216343433 /nfs/dbraw/zinc/34/34/33/216343433.db2.gz DHVLNKCCUFGDSF-UONOGXRCSA-N 0 0 335.404 3.114 40 5 EGBBRN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000023099596 212347403 /nfs/dbraw/zinc/34/74/03/212347403.db2.gz BKQSAQXRUCJQCW-LBPRGKRZSA-N 0 0 344.367 3.411 40 5 EGBBRN Cc1c(NC(=O)c2cn(C)c3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000022234243 212283886 /nfs/dbraw/zinc/28/38/86/212283886.db2.gz DRPHWXZVINYPJC-UHFFFAOYSA-N 0 0 337.335 3.007 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)C2CCCCCC2)cc1[N+](=O)[O-] ZINC000022134331 212278980 /nfs/dbraw/zinc/27/89/80/212278980.db2.gz GBFMDQBKGFPHII-UHFFFAOYSA-N 0 0 326.418 3.247 40 5 EGBBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000217941820 241285412 /nfs/dbraw/zinc/28/54/12/241285412.db2.gz SCFMHRJIZUXRGL-CQSZACIVSA-N 0 0 328.368 3.409 40 5 EGBBRN Cc1ccc(NC(=O)CSc2nnc(C(C)C)o2)c([N+](=O)[O-])c1 ZINC000020034565 212095330 /nfs/dbraw/zinc/09/53/30/212095330.db2.gz LJJSKZNBHQKFPW-UHFFFAOYSA-N 0 0 336.373 3.140 40 5 EGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 ZINC000007093600 210758707 /nfs/dbraw/zinc/75/87/07/210758707.db2.gz NEPCXLYZBGHBJE-UHFFFAOYSA-N 0 0 334.372 3.284 40 5 EGBBRN O=C(NCCc1nc(C(F)(F)F)cs1)c1ccccc1[N+](=O)[O-] ZINC000096432833 218808905 /nfs/dbraw/zinc/80/89/05/218808905.db2.gz BITQKNOWMZSMOL-UHFFFAOYSA-N 0 0 345.302 3.043 40 5 EGBBRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000096433631 218810448 /nfs/dbraw/zinc/81/04/48/218810448.db2.gz XVEWNJVRHWMXCP-NSHDSACASA-N 0 0 345.403 3.006 40 5 EGBBRN CN(Cc1nc2ccccc2s1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005406243 210459020 /nfs/dbraw/zinc/45/90/20/210459020.db2.gz ZUYRORJHNHXLOY-UHFFFAOYSA-N 0 0 327.365 3.477 40 5 EGBBRN Cc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000113139697 220464269 /nfs/dbraw/zinc/46/42/69/220464269.db2.gz IRYQDWBZNZXNID-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CCOC(=O)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@H]21 ZINC000005499728 273691449 /nfs/dbraw/zinc/69/14/49/273691449.db2.gz CXZFJVXIIXNXKO-NXHRZFHOSA-N 0 0 338.363 3.256 40 5 EGBBRN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000026508869 276297739 /nfs/dbraw/zinc/29/77/39/276297739.db2.gz XWYUNGGXMCPFSA-UHFFFAOYSA-N 0 0 345.311 3.292 40 5 EGBBRN C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000096486757 278320860 /nfs/dbraw/zinc/32/08/60/278320860.db2.gz HIZDQNKIPFFYBS-VIFPVBQESA-N 0 0 345.742 3.236 40 5 EGBBRN Cc1cccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000001993439 452683367 /nfs/dbraw/zinc/68/33/67/452683367.db2.gz UFUZJBYUUIWJPE-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN Cc1cc(-c2ccc(C=C3SC(=O)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000005174148 452843048 /nfs/dbraw/zinc/84/30/48/452843048.db2.gz SCZSEVRGLQBSGP-QPEQYQDCSA-N 0 0 330.321 3.487 40 5 EGBBRN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000005934631 452910509 /nfs/dbraw/zinc/91/05/09/452910509.db2.gz LGQUVGAAJNXLMP-UHFFFAOYSA-N 0 0 343.358 3.005 40 5 EGBBRN CC(=O)c1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1C ZINC000007954791 453139212 /nfs/dbraw/zinc/13/92/12/453139212.db2.gz NLGFBGXVPLCVLO-UHFFFAOYSA-N 0 0 327.340 3.156 40 5 EGBBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008556695 453214744 /nfs/dbraw/zinc/21/47/44/453214744.db2.gz DZPZLDZRTMFMMB-UHFFFAOYSA-N 0 0 341.367 3.375 40 5 EGBBRN COc1ccc(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000010542248 453296217 /nfs/dbraw/zinc/29/62/17/453296217.db2.gz DMGYFDDEZPMVTJ-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN CCOC(=O)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000013631885 453476410 /nfs/dbraw/zinc/47/64/10/453476410.db2.gz FGPDAQJRQJOURA-UHFFFAOYSA-N 0 0 342.351 3.261 40 5 EGBBRN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000013669067 453478237 /nfs/dbraw/zinc/47/82/37/453478237.db2.gz AKPPBECQIWOUAD-UHFFFAOYSA-N 0 0 333.775 3.114 40 5 EGBBRN COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015471786 453574413 /nfs/dbraw/zinc/57/44/13/453574413.db2.gz CCZQKQZJBMXHAE-CNELAYHGSA-N 0 0 326.352 3.494 40 5 EGBBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000018108971 453643865 /nfs/dbraw/zinc/64/38/65/453643865.db2.gz QEARJQKYVGHLHI-LBPRGKRZSA-N 0 0 342.351 3.165 40 5 EGBBRN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(C)=O ZINC000027644558 453819742 /nfs/dbraw/zinc/81/97/42/453819742.db2.gz XVJJSHIESPAANT-UHFFFAOYSA-N 0 0 334.353 3.458 40 5 EGBBRN O=[N+]([O-])c1c(NC[C@@H](O)c2ccc(Cl)cc2)nc2ccccn21 ZINC000030860114 453839561 /nfs/dbraw/zinc/83/95/61/453839561.db2.gz POOBFCXJLHVPAU-GFCCVEGCSA-N 0 0 332.747 3.041 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(F)c(C)c2)c1 ZINC000031594222 453849960 /nfs/dbraw/zinc/84/99/60/453849960.db2.gz GJOUBJJMEMWGIE-UHFFFAOYSA-N 0 0 346.358 3.436 40 5 EGBBRN CCc1noc(CC)c1CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000087279157 454074715 /nfs/dbraw/zinc/07/47/15/454074715.db2.gz KTEAWCCPSOSQEV-UHFFFAOYSA-N 0 0 343.383 3.230 40 5 EGBBRN O=C1C(=Cc2csc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1F ZINC000104242423 454578938 /nfs/dbraw/zinc/57/89/38/454578938.db2.gz AYLRELZNCZASNR-BJMVGYQFSA-N 0 0 349.368 3.058 40 5 EGBBRN COCCNC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000104584335 454591671 /nfs/dbraw/zinc/59/16/71/454591671.db2.gz RYKVZHYATWYQKX-UHFFFAOYSA-N 0 0 335.367 3.032 40 5 EGBBRN CCc1ccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223381938 456055934 /nfs/dbraw/zinc/05/59/34/456055934.db2.gz DRTMBSPCQLHKJG-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000224782020 456069951 /nfs/dbraw/zinc/06/99/51/456069951.db2.gz UYYUPKGKUJWMSF-UHFFFAOYSA-N 0 0 342.323 3.007 40 5 EGBBRN COc1ccc(OCc2ncc(Br)s2)c([N+](=O)[O-])c1 ZINC000390835120 457447739 /nfs/dbraw/zinc/44/77/39/457447739.db2.gz DFKMYFWQBFQSQH-UHFFFAOYSA-N 0 0 345.174 3.401 40 5 EGBBRN O=[N+]([O-])c1cccnc1Sc1nnc(COc2ccccc2)o1 ZINC000408608392 457583410 /nfs/dbraw/zinc/58/34/10/457583410.db2.gz WFAZUJDPDFDSMZ-UHFFFAOYSA-N 0 0 330.325 3.103 40 5 EGBBRN COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048007833 522103511 /nfs/dbraw/zinc/10/35/11/522103511.db2.gz CZSUHRMAVXQPOD-UHFFFAOYSA-N 0 0 343.339 3.045 40 5 EGBBRN CC(C)c1nc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000174245305 528276457 /nfs/dbraw/zinc/27/64/57/528276457.db2.gz HTYIQAGEICKMGL-UHFFFAOYSA-N 0 0 346.387 3.145 40 5 EGBBRN COc1ccccc1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000217893581 537029844 /nfs/dbraw/zinc/02/98/44/537029844.db2.gz RTPCZTAHHMCUGE-JLHYYAGUSA-N 0 0 340.379 3.366 40 5 EGBBRN O=[N+]([O-])c1ccc([C@H]2O[C@@H](c3ccc(Cl)cc3)OC[C@H]2O)cc1 ZINC000004546688 210219787 /nfs/dbraw/zinc/21/97/87/210219787.db2.gz AJGWLCHMWYRDHW-OAGGEKHMSA-N 0 0 335.743 3.396 40 5 EGBBRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003547678 210052293 /nfs/dbraw/zinc/05/22/93/210052293.db2.gz HZZSKALCDXYKDB-UHFFFAOYSA-N 0 0 328.324 3.412 40 5 EGBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc([N+](=O)[O-])c1 ZINC000003015464 209954284 /nfs/dbraw/zinc/95/42/84/209954284.db2.gz MOCQIVNPBVSNKA-UHFFFAOYSA-N 0 0 344.308 3.365 40 5 EGBBRN COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001965012 209807510 /nfs/dbraw/zinc/80/75/10/209807510.db2.gz BGTFQXPOCLZZBP-RMKNXTFCSA-N 0 0 328.324 3.264 40 5 EGBBRN Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000040509235 213326646 /nfs/dbraw/zinc/32/66/46/213326646.db2.gz NPDKQTXERKOZCR-UHFFFAOYSA-N 0 0 341.323 3.112 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)ccc1C ZINC000000145235 209448658 /nfs/dbraw/zinc/44/86/58/209448658.db2.gz XJADVXRMMCUVAD-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN CC(=O)c1ccc(NCC[C@@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000023245716 212364071 /nfs/dbraw/zinc/36/40/71/212364071.db2.gz AXWOMGZEPBVGBT-AWEZNQCLSA-N 0 0 339.351 3.335 40 5 EGBBRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000023099594 212347094 /nfs/dbraw/zinc/34/70/94/212347094.db2.gz BKQSAQXRUCJQCW-GFCCVEGCSA-N 0 0 344.367 3.411 40 5 EGBBRN CCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000022259331 212286674 /nfs/dbraw/zinc/28/66/74/212286674.db2.gz VGUGXZLQJNFEPE-UHFFFAOYSA-N 0 0 330.340 3.183 40 5 EGBBRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020041326 212097115 /nfs/dbraw/zinc/09/71/15/212097115.db2.gz DCISKZIGOGGRAT-ZDUSSCGKSA-N 0 0 334.397 3.084 40 5 EGBBRN Cc1occc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079706492 217249460 /nfs/dbraw/zinc/24/94/60/217249460.db2.gz YYAVVRFYSDPPCB-UHFFFAOYSA-N 0 0 328.246 3.445 40 5 EGBBRN Cc1ccc([C@@H]2CSCCN2C(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000081345761 217386310 /nfs/dbraw/zinc/38/63/10/217386310.db2.gz PDZIIERMFHTXTK-HNNXBMFYSA-N 0 0 346.408 3.355 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000012459995 211388394 /nfs/dbraw/zinc/38/83/94/211388394.db2.gz NSJIGDVPCDIXMG-UHFFFAOYSA-N 0 0 328.324 3.203 40 5 EGBBRN COc1ccccc1-c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000007169335 210764718 /nfs/dbraw/zinc/76/47/18/210764718.db2.gz WWBOMKUOGFSHCR-UHFFFAOYSA-N 0 0 327.296 3.232 40 5 EGBBRN CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000006769 208549072 /nfs/dbraw/zinc/54/90/72/208549072.db2.gz AQASETCATFZLQH-UHFFFAOYSA-N 0 0 326.761 3.123 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000005795487 257867311 /nfs/dbraw/zinc/86/73/11/257867311.db2.gz VGVPTXQESWKFJE-UHFFFAOYSA-N 0 0 326.761 3.357 40 5 EGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccco2)o1 ZINC000408535253 257897870 /nfs/dbraw/zinc/89/78/70/257897870.db2.gz YDXNLNAHHQRQIT-UHFFFAOYSA-N 0 0 331.309 3.099 40 5 EGBBRN O=C(/C=C/c1cccs1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039757670 257854808 /nfs/dbraw/zinc/85/48/08/257854808.db2.gz NRQQVJCUFWHIIZ-BQYQJAHWSA-N 0 0 342.336 3.358 40 5 EGBBRN Cc1cnccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121009609 454377214 /nfs/dbraw/zinc/37/72/14/454377214.db2.gz PKMRJCWPDXNCAP-UHFFFAOYSA-N 0 0 336.145 3.313 40 5 EGBBRN Cc1nnc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C1CC1 ZINC000097371719 323215737 /nfs/dbraw/zinc/21/57/37/323215737.db2.gz RRZYFQRJVFYWAW-UHFFFAOYSA-N 0 0 342.277 3.427 40 5 EGBBRN CCOc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000000070758 452497952 /nfs/dbraw/zinc/49/79/52/452497952.db2.gz ZRUQVWJKBRQIQF-PTNGSMBKSA-N 0 0 338.319 3.338 40 5 EGBBRN Cc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000570423 452625713 /nfs/dbraw/zinc/62/57/13/452625713.db2.gz QJGZJAJOUPLIPA-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN CN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001644320 452673026 /nfs/dbraw/zinc/67/30/26/452673026.db2.gz XDHOXAAWDBWHAW-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003383738 452763092 /nfs/dbraw/zinc/76/30/92/452763092.db2.gz ZWMTWWXTLVNHMC-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN COc1ccc(C(C)=O)cc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003505376 452773890 /nfs/dbraw/zinc/77/38/90/452773890.db2.gz VQDMNLYRBYWIRG-UHFFFAOYSA-N 0 0 329.308 3.163 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1C[C@H](c2ccc(Cl)cc2)CC1=O ZINC000005583631 452887307 /nfs/dbraw/zinc/88/73/07/452887307.db2.gz RLDOZZRVRHUOQI-GFCCVEGCSA-N 0 0 344.754 3.405 40 5 EGBBRN Cc1ccc(C[C@@]2(CO)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000006212045 452924021 /nfs/dbraw/zinc/92/40/21/452924021.db2.gz QQWZDCLFGJAWNK-LJQANCHMSA-N 0 0 341.363 3.008 40 5 EGBBRN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)c(C)c1C ZINC000008329883 453194578 /nfs/dbraw/zinc/19/45/78/453194578.db2.gz YXPXKFICXTVYIQ-UHFFFAOYSA-N 0 0 331.324 3.461 40 5 EGBBRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000014219417 453521196 /nfs/dbraw/zinc/52/11/96/453521196.db2.gz SWOFZVWWVPZGGS-CYBMUJFWSA-N 0 0 334.397 3.251 40 5 EGBBRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000014219120 453521509 /nfs/dbraw/zinc/52/15/09/453521509.db2.gz RXCCABJMKLSWGW-LBPRGKRZSA-N 0 0 334.397 3.197 40 5 EGBBRN Cc1cc2ncn(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c2cc1C ZINC000014360961 453531926 /nfs/dbraw/zinc/53/19/26/453531926.db2.gz LNBFZFQDYWULRK-UHFFFAOYSA-N 0 0 339.351 3.476 40 5 EGBBRN Nc1nc2c(-c3ccc([N+](=O)[O-])cc3)nnn2c2cccc(Cl)c12 ZINC000031772370 453854362 /nfs/dbraw/zinc/85/43/62/453854362.db2.gz CKPMSCHXOHWJKJ-UHFFFAOYSA-N 0 0 340.730 3.088 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2n[nH]c(CCNc3cccc(F)c3)n2)cc1 ZINC000062719134 454386169 /nfs/dbraw/zinc/38/61/69/454386169.db2.gz VXRIXFGXSNVDAA-UHFFFAOYSA-N 0 0 327.319 3.174 40 5 EGBBRN Cc1cc(N(C)Cc2nc(C(F)(F)F)cs2)ncc1[N+](=O)[O-] ZINC000080606522 454605519 /nfs/dbraw/zinc/60/55/19/454605519.db2.gz GJEXHLVWSXMMPZ-UHFFFAOYSA-N 0 0 332.307 3.410 40 5 EGBBRN CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000107222511 454747298 /nfs/dbraw/zinc/74/72/98/454747298.db2.gz OOBCZZYKVUEPIJ-MRXNPFEDSA-N 0 0 337.335 3.125 40 5 EGBBRN C[C@@H]1C[C@]2(c3ccc([N+](=O)[O-])cc3)O[C@@H]2CN1C(=O)OC(C)(C)C ZINC000252494524 455813292 /nfs/dbraw/zinc/81/32/92/455813292.db2.gz NXWHOJOMQXZAJJ-JDSLSITLSA-N 0 0 334.372 3.218 40 5 EGBBRN O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215252614 456025973 /nfs/dbraw/zinc/02/59/73/456025973.db2.gz BJPFIRNJFFCDKP-MDWZMJQESA-N 0 0 330.321 3.424 40 5 EGBBRN Cc1cc(C(=O)NCCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000223436621 456057444 /nfs/dbraw/zinc/05/74/44/456057444.db2.gz PGRRAOKENYOHJU-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN CC(C)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000223725488 456059976 /nfs/dbraw/zinc/05/99/76/456059976.db2.gz ZLYZDBJBBBPHEN-UHFFFAOYSA-N 0 0 334.397 3.197 40 5 EGBBRN CCc1ccccc1N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225018970 456071982 /nfs/dbraw/zinc/07/19/82/456071982.db2.gz IKHNHHLKFKPCRO-UHFFFAOYSA-N 0 0 334.397 3.372 40 5 EGBBRN CC(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000390835500 457447636 /nfs/dbraw/zinc/44/76/36/457447636.db2.gz OSUDBTUACIGQCV-QGZVFWFLSA-N 0 0 327.384 3.388 40 5 EGBBRN Cc1cccnc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129889503 525522839 /nfs/dbraw/zinc/52/28/39/525522839.db2.gz GNJJRYMESNRUCH-UHFFFAOYSA-N 0 0 339.273 3.247 40 5 EGBBRN Cc1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)cc1[N+](=O)[O-] ZINC000004696389 210250642 /nfs/dbraw/zinc/25/06/42/210250642.db2.gz LNJYAVXSDBXNQQ-QPEQYQDCSA-N 0 0 330.321 3.487 40 5 EGBBRN Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)n(C)c(=O)c2c1 ZINC000048354908 213928352 /nfs/dbraw/zinc/92/83/52/213928352.db2.gz CBKCOYZQBJAJSJ-UHFFFAOYSA-N 0 0 341.392 3.442 40 5 EGBBRN Cc1sc(C(=O)NCCOc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000040113739 213268545 /nfs/dbraw/zinc/26/85/45/213268545.db2.gz DFOKAVFXZYPKSV-UHFFFAOYSA-N 0 0 334.397 3.390 40 5 EGBBRN CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000030754099 212708573 /nfs/dbraw/zinc/70/85/73/212708573.db2.gz JUBHEHKQIPPMTO-INIZCTEOSA-N 0 0 334.397 3.166 40 5 EGBBRN COc1ccccc1/C=C1/N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000000062164 209395553 /nfs/dbraw/zinc/39/55/53/209395553.db2.gz YWPGPSXCAOSPMZ-NTEUORMPSA-N 0 0 338.319 3.256 40 5 EGBBRN CC(C)c1cc(N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n[nH]1 ZINC000072686825 216292874 /nfs/dbraw/zinc/29/28/74/216292874.db2.gz OZEBBQYHRBRRNF-UHFFFAOYSA-N 0 0 342.359 3.128 40 5 EGBBRN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000191583190 239197331 /nfs/dbraw/zinc/19/73/31/239197331.db2.gz WVOCQAFKSVAVDQ-UHFFFAOYSA-N 0 0 348.790 3.274 40 5 EGBBRN CN(c1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000197622309 241035117 /nfs/dbraw/zinc/03/51/17/241035117.db2.gz LUOFBVJBFUTEBV-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000225991236 242082794 /nfs/dbraw/zinc/08/27/94/242082794.db2.gz SXCISJKIRSUGRN-UHFFFAOYSA-N 0 0 342.351 3.282 40 5 EGBBRN NC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000226345390 242100075 /nfs/dbraw/zinc/10/00/75/242100075.db2.gz CWRRTHWLFSMRCP-UHFFFAOYSA-N 0 0 334.759 3.245 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000020491841 212139711 /nfs/dbraw/zinc/13/97/11/212139711.db2.gz CZOPETZCOIZKEV-INIZCTEOSA-N 0 0 346.408 3.259 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1noc2c1CCCCC2 ZINC000020258780 212114412 /nfs/dbraw/zinc/11/44/12/212114412.db2.gz YQXCLFVKCJPVHV-UHFFFAOYSA-N 0 0 331.328 3.113 40 5 EGBBRN COc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000008907626 211016913 /nfs/dbraw/zinc/01/69/13/211016913.db2.gz TZNLTVRXFOXDIU-UHFFFAOYSA-N 0 0 336.731 3.274 40 5 EGBBRN Cc1ccc2oc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc(=O)c2c1 ZINC000007622688 210821790 /nfs/dbraw/zinc/82/17/90/210821790.db2.gz FJZPZPCDHYUTIQ-UHFFFAOYSA-N 0 0 339.303 3.367 40 5 EGBBRN O=C(COc1cccc([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 ZINC000006061458 210582972 /nfs/dbraw/zinc/58/29/72/210582972.db2.gz QQBULNBCRHJVIE-UHFFFAOYSA-N 0 0 330.384 3.059 40 5 EGBBRN CC1CCN(c2ccc(C(=O)NCc3ccco3)cc2[N+](=O)[O-])CC1 ZINC000004895879 210314333 /nfs/dbraw/zinc/31/43/33/210314333.db2.gz SMXLBAPGDKFGCS-UHFFFAOYSA-N 0 0 343.383 3.354 40 5 EGBBRN CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000013612274 257912369 /nfs/dbraw/zinc/91/23/69/257912369.db2.gz JWVJQFSHAJVEHK-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccncc1 ZINC000003353743 258050615 /nfs/dbraw/zinc/05/06/15/258050615.db2.gz DCUZHGCBGBQLBD-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000001741724 135656085 /nfs/dbraw/zinc/65/60/85/135656085.db2.gz ITWJJRWHGBXWBY-UHFFFAOYSA-N 0 0 344.346 3.088 40 5 EGBBRN CCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004115991 275967637 /nfs/dbraw/zinc/96/76/37/275967637.db2.gz OFHKSQQQHVVQST-UHFFFAOYSA-N 0 0 345.321 3.062 40 5 EGBBRN Cc1cc(C(=O)Nc2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000000225375 280367817 /nfs/dbraw/zinc/36/78/17/280367817.db2.gz BNNLZLXHVJWBCH-UHFFFAOYSA-N 0 0 336.145 3.313 40 5 EGBBRN CSC1=C([N+](=O)[O-])[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000008346054 453196351 /nfs/dbraw/zinc/19/63/51/453196351.db2.gz WLHNJPGTSKTXAX-VIFPVBQESA-N 0 0 348.211 3.498 40 5 EGBBRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023025388 301740265 /nfs/dbraw/zinc/74/02/65/301740265.db2.gz FAVGDCQZNIRFRB-KRWDZBQOSA-N 0 0 346.408 3.429 40 5 EGBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1Br ZINC000000362440 452571433 /nfs/dbraw/zinc/57/14/33/452571433.db2.gz MHPQARIWVWGNNZ-UHFFFAOYSA-N 0 0 347.124 3.158 40 5 EGBBRN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001644315 452672251 /nfs/dbraw/zinc/67/22/51/452672251.db2.gz PJNGSQKFYNXDKE-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003514280 452775484 /nfs/dbraw/zinc/77/54/84/452775484.db2.gz DYYRUSDERADZFT-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000003620010 452785669 /nfs/dbraw/zinc/78/56/69/452785669.db2.gz UYLBYCZAWATGTJ-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN O=[N+]([O-])c1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1 ZINC000005390833 452866709 /nfs/dbraw/zinc/86/67/09/452866709.db2.gz UJBDXVHUJPTSSR-UHFFFAOYSA-N 0 0 339.311 3.283 40 5 EGBBRN COc1ccc(C)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005553095 452882299 /nfs/dbraw/zinc/88/22/99/452882299.db2.gz BPHKJAVUYLVSPR-UHFFFAOYSA-N 0 0 345.380 3.039 40 5 EGBBRN CCN(CC)c1nc(C)c([N+](=O)[O-])c(Nc2ccc(OC)cc2)n1 ZINC000005795043 452903177 /nfs/dbraw/zinc/90/31/77/452903177.db2.gz QFNSIECCHIJZAX-UHFFFAOYSA-N 0 0 331.376 3.292 40 5 EGBBRN CCC(=O)Nc1ccccc1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000006309297 452933542 /nfs/dbraw/zinc/93/35/42/452933542.db2.gz UZHUQEXFBNLGJF-UHFFFAOYSA-N 0 0 328.324 3.300 40 5 EGBBRN Cc1nn(CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000007391438 453069742 /nfs/dbraw/zinc/06/97/42/453069742.db2.gz WWSZHTKOUXPLPJ-KCPJHIHWSA-N 0 0 337.420 3.412 40 5 EGBBRN Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c([N+](=O)[O-])c1 ZINC000007463520 453078708 /nfs/dbraw/zinc/07/87/08/453078708.db2.gz NHVJZUHIZSISKN-UHFFFAOYSA-N 0 0 346.295 3.257 40 5 EGBBRN Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000008705395 453224537 /nfs/dbraw/zinc/22/45/37/453224537.db2.gz PFZWKGZYXMFNKP-UHFFFAOYSA-N 0 0 339.273 3.126 40 5 EGBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C(C)(C)C ZINC000009140818 453243775 /nfs/dbraw/zinc/24/37/75/453243775.db2.gz WEQFUXCXAWSCKW-UHFFFAOYSA-N 0 0 329.809 3.416 40 5 EGBBRN Cc1ccc(CCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000010110588 453274163 /nfs/dbraw/zinc/27/41/63/453274163.db2.gz NEJWGDVYYIDHAT-UHFFFAOYSA-N 0 0 348.424 3.123 40 5 EGBBRN COc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000013646216 453478376 /nfs/dbraw/zinc/47/83/76/453478376.db2.gz PPICZJNXOCTJEN-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013671423 453480355 /nfs/dbraw/zinc/48/03/55/453480355.db2.gz XLLHVUUWUYEYAH-ZDUSSCGKSA-N 0 0 334.397 3.251 40 5 EGBBRN COc1ccc(NC(=O)Cn2ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000014137334 453511034 /nfs/dbraw/zinc/51/10/34/453511034.db2.gz PRBBDVRPSUMBFJ-UHFFFAOYSA-N 0 0 325.324 3.197 40 5 EGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ccc2ccccc21 ZINC000014137336 453511259 /nfs/dbraw/zinc/51/12/59/453511259.db2.gz OHFXKSGOAVCZTK-UHFFFAOYSA-N 0 0 325.324 3.197 40 5 EGBBRN Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000021596235 453679157 /nfs/dbraw/zinc/67/91/57/453679157.db2.gz QXLJMYOQGZBCII-UHFFFAOYSA-N 0 0 333.344 3.169 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000026765456 453805353 /nfs/dbraw/zinc/80/53/53/453805353.db2.gz GEFLCXHAJCKWNX-UHFFFAOYSA-N 0 0 339.351 3.282 40 5 EGBBRN CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000030754096 453837835 /nfs/dbraw/zinc/83/78/35/453837835.db2.gz JUBHEHKQIPPMTO-MRXNPFEDSA-N 0 0 334.397 3.166 40 5 EGBBRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000032380093 453869595 /nfs/dbraw/zinc/86/95/95/453869595.db2.gz WSKOQXXUACNKPF-GOSISDBHSA-N 0 0 342.399 3.229 40 5 EGBBRN C[C@@H]1CC(=O)NN=C1c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000034646703 453920140 /nfs/dbraw/zinc/92/01/40/453920140.db2.gz YFJQPSKUCIGNDT-GFCCVEGCSA-N 0 0 338.367 3.067 40 5 EGBBRN CC(C)(C)OC(=O)N1CCC(Sc2ccc([N+](=O)[O-])cn2)CC1 ZINC000085333022 454023046 /nfs/dbraw/zinc/02/30/46/454023046.db2.gz TZVJKJPXGDWSRW-UHFFFAOYSA-N 0 0 339.417 3.481 40 5 EGBBRN Cc1ccc(NCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1 ZINC000085383730 454024815 /nfs/dbraw/zinc/02/48/15/454024815.db2.gz BYWCOYRAHTUAAA-UHFFFAOYSA-N 0 0 348.790 3.184 40 5 EGBBRN CCCCS[C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000057441079 454128388 /nfs/dbraw/zinc/12/83/88/454128388.db2.gz ZJPNILWSHWZLLG-LBPRGKRZSA-N 0 0 325.434 3.045 40 5 EGBBRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000045805735 454184917 /nfs/dbraw/zinc/18/49/17/454184917.db2.gz KEGJCZIKCXMNRD-UHFFFAOYSA-N 0 0 346.408 3.089 40 5 EGBBRN Cc1nc2c(s1)[C@H](N(C)C(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000096425153 454338398 /nfs/dbraw/zinc/33/83/98/454338398.db2.gz OTCJICDPWPIHBU-OAHLLOKOSA-N 0 0 345.424 3.438 40 5 EGBBRN C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000096487401 454367671 /nfs/dbraw/zinc/36/76/71/454367671.db2.gz GHVVKRIIRBFATL-CABZTGNLSA-N 0 0 338.747 3.083 40 5 EGBBRN Cc1cccc(NC(=O)C2CCN(c3sccc3[N+](=O)[O-])CC2)n1 ZINC000096492792 454369462 /nfs/dbraw/zinc/36/94/62/454369462.db2.gz WNQLBWYRXYAFPB-UHFFFAOYSA-N 0 0 346.412 3.215 40 5 EGBBRN COc1ccc(NCCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000062719285 454385783 /nfs/dbraw/zinc/38/57/83/454385783.db2.gz JJSCXDUINNYNTJ-UHFFFAOYSA-N 0 0 339.355 3.043 40 5 EGBBRN CSc1cccc(C(=O)NCCc2cccc(F)c2)c1[N+](=O)[O-] ZINC000186010081 455673762 /nfs/dbraw/zinc/67/37/62/455673762.db2.gz JTKZUNTZLMBOFY-UHFFFAOYSA-N 0 0 334.372 3.428 40 5 EGBBRN CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225018601 456072327 /nfs/dbraw/zinc/07/23/27/456072327.db2.gz SQFBKAXGGOYIPZ-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3F)o2)nc1 ZINC000409386465 457598721 /nfs/dbraw/zinc/59/87/21/457598721.db2.gz UDSUMPOKMVXXHD-UHFFFAOYSA-N 0 0 348.315 3.242 40 5 EGBBRN Cc1c(C(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000134562007 533800669 /nfs/dbraw/zinc/80/06/69/533800669.db2.gz BUEFCRSLVDZAKO-APPDUMDISA-N 0 0 346.358 3.284 40 5 EGBBRN Cc1csc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000131051253 534807877 /nfs/dbraw/zinc/80/78/77/534807877.db2.gz HTGDQYDUQOVBKW-UHFFFAOYSA-N 0 0 333.413 3.403 40 5 EGBBRN CCN(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225079907 535420196 /nfs/dbraw/zinc/42/01/96/535420196.db2.gz XUVYKGVMBBNXEX-UHFFFAOYSA-N 0 0 338.360 3.258 40 5 EGBBRN COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)OC ZINC000004701675 210252943 /nfs/dbraw/zinc/25/29/43/210252943.db2.gz NLIIEZVOMZJGPX-LFIBNONCSA-N 0 0 341.319 3.095 40 5 EGBBRN CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047375167 213846085 /nfs/dbraw/zinc/84/60/85/213846085.db2.gz AYJKKDZCSSROCP-UHFFFAOYSA-N 0 0 342.355 3.377 40 5 EGBBRN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003898673 210087680 /nfs/dbraw/zinc/08/76/80/210087680.db2.gz TUZQFISVFDXOEQ-UHFFFAOYSA-N 0 0 331.284 3.154 40 5 EGBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1nc2ccccc2s1 ZINC000003598247 210062083 /nfs/dbraw/zinc/06/20/83/210062083.db2.gz AEBNXYNEZCTHJG-UHFFFAOYSA-N 0 0 339.332 3.001 40 5 EGBBRN CC[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000072527424 216269054 /nfs/dbraw/zinc/26/90/54/216269054.db2.gz DXVRWKFITRAZBU-CQSZACIVSA-N 0 0 330.388 3.135 40 5 EGBBRN CCOC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000073042949 216342926 /nfs/dbraw/zinc/34/29/26/216342926.db2.gz DHVLNKCCUFGDSF-ZIAGYGMSSA-N 0 0 335.404 3.114 40 5 EGBBRN CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224753711 241778884 /nfs/dbraw/zinc/77/88/84/241778884.db2.gz JGEDYHIOTLGMNG-UHFFFAOYSA-N 0 0 342.323 3.088 40 5 EGBBRN CC(C)c1ccccc1OCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000110508238 220041582 /nfs/dbraw/zinc/04/15/82/220041582.db2.gz FFHNKZHYXMXNSZ-UHFFFAOYSA-N 0 0 342.395 3.456 40 5 EGBBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000013670990 211603671 /nfs/dbraw/zinc/60/36/71/211603671.db2.gz WSDHORGCCDKNSA-CYBMUJFWSA-N 0 0 344.367 3.109 40 5 EGBBRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc2c(c1)CCC2 ZINC000008329854 210937617 /nfs/dbraw/zinc/93/76/17/210937617.db2.gz WKJDMOZIFXUYDC-JTQLQIEISA-N 0 0 329.308 3.105 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000096426056 218795539 /nfs/dbraw/zinc/79/55/39/218795539.db2.gz ZMPVHEFLWBTEHU-INIZCTEOSA-N 0 0 340.379 3.274 40 5 EGBBRN CC(=O)c1ccc(N(C)Cc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000096453888 218837654 /nfs/dbraw/zinc/83/76/54/218837654.db2.gz AZDHPCNNOIDSML-DEOSSOPVSA-N 0 0 346.408 3.171 40 5 EGBBRN Cc1cc(C)n(CCCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000096461253 218844078 /nfs/dbraw/zinc/84/40/78/218844078.db2.gz WHFHXYPJSJBQNZ-UHFFFAOYSA-N 0 0 345.403 3.237 40 5 EGBBRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)n[nH]2)cc1 ZINC000040169529 285104234 /nfs/dbraw/zinc/10/42/34/285104234.db2.gz INPQLMWDMIDKDE-UHFFFAOYSA-N 0 0 335.117 3.402 40 5 EGBBRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000004846476 210299716 /nfs/dbraw/zinc/29/97/16/210299716.db2.gz TYABHSYHGQMUPP-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)o3)n[nH]2)c1 ZINC000040169597 285152623 /nfs/dbraw/zinc/15/26/23/285152623.db2.gz XPQUFUGHCCKFMJ-UHFFFAOYSA-N 0 0 335.117 3.402 40 5 EGBBRN CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134030852 454495013 /nfs/dbraw/zinc/49/50/13/454495013.db2.gz DUEXKCFQUTYKIZ-UHFFFAOYSA-N 0 0 328.434 3.229 40 5 EGBBRN CCOc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000070889 452498099 /nfs/dbraw/zinc/49/80/99/452498099.db2.gz JZGYVFWXLCFVON-YBEGLDIGSA-N 0 0 338.319 3.338 40 5 EGBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(C)c1O ZINC000003120952 452743587 /nfs/dbraw/zinc/74/35/87/452743587.db2.gz KLURIHURZUEDMR-UHFFFAOYSA-N 0 0 331.284 3.078 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000003204585 452747485 /nfs/dbraw/zinc/74/74/85/452747485.db2.gz NPDRGOACRKHXPC-UHFFFAOYSA-N 0 0 334.269 3.297 40 5 EGBBRN O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000003385937 452762564 /nfs/dbraw/zinc/76/25/64/452762564.db2.gz CJIVMNULTWIEPD-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN CCOC(=O)c1ccc(C[S@](=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005722335 452897859 /nfs/dbraw/zinc/89/78/59/452897859.db2.gz GERJNRFUQLQLMJ-HSZRJFAPSA-N 0 0 333.365 3.079 40 5 EGBBRN CCC(=O)Nc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000006309264 452933701 /nfs/dbraw/zinc/93/37/01/452933701.db2.gz ZFEIZIRVGKRBSN-UHFFFAOYSA-N 0 0 328.324 3.300 40 5 EGBBRN CCOC(=O)c1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006387089 452940396 /nfs/dbraw/zinc/94/03/96/452940396.db2.gz IQTIJWXQMFDCRN-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN CCCCCn1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007136712 453036284 /nfs/dbraw/zinc/03/62/84/453036284.db2.gz PLTHJFFGIHXRNY-UHFFFAOYSA-N 0 0 349.416 3.107 40 5 EGBBRN CN(CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000010113695 453274605 /nfs/dbraw/zinc/27/46/05/453274605.db2.gz XWSBSYDNDGZBHF-UHFFFAOYSA-N 0 0 333.775 3.114 40 5 EGBBRN CCOc1ccccc1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000010110882 453274911 /nfs/dbraw/zinc/27/49/11/453274911.db2.gz ZAUZQWZYBIRDFK-UHFFFAOYSA-N 0 0 342.395 3.285 40 5 EGBBRN CCOC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000010444000 453291399 /nfs/dbraw/zinc/29/13/99/453291399.db2.gz BPWUJDYPDROTMM-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000015836262 453586814 /nfs/dbraw/zinc/58/68/14/453586814.db2.gz MGERQUYMZJELCK-CYBMUJFWSA-N 0 0 338.410 3.182 40 5 EGBBRN Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000018230992 453648482 /nfs/dbraw/zinc/64/84/82/453648482.db2.gz BVOBNMFUYQKFQU-LBPRGKRZSA-N 0 0 342.351 3.165 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000019159852 453654473 /nfs/dbraw/zinc/65/44/73/453654473.db2.gz UNGSBWZDJLBZHS-JTQLQIEISA-N 0 0 334.303 3.149 40 5 EGBBRN O=C(Nc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000025010808 453755541 /nfs/dbraw/zinc/75/55/41/453755541.db2.gz MKEWPOUJESITJD-UHFFFAOYSA-N 0 0 343.730 3.081 40 5 EGBBRN Cc1c(C(=O)Nc2ccc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000025065103 453757394 /nfs/dbraw/zinc/75/73/94/453757394.db2.gz SSPBYKMMBHEOMH-UHFFFAOYSA-N 0 0 326.356 3.151 40 5 EGBBRN CCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000032930145 453897654 /nfs/dbraw/zinc/89/76/54/453897654.db2.gz VXGSDMVTRGWILN-UHFFFAOYSA-N 0 0 347.396 3.357 40 5 EGBBRN CN(C)NC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000038311423 453940545 /nfs/dbraw/zinc/94/05/45/453940545.db2.gz DGXRMEREISKNQD-UHFFFAOYSA-N 0 0 336.424 3.027 40 5 EGBBRN COCC(=O)Nc1cccc(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000096427408 454340443 /nfs/dbraw/zinc/34/04/43/454340443.db2.gz XQKXAEKNKAWNLB-UHFFFAOYSA-N 0 0 329.356 3.100 40 5 EGBBRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047219430 454342376 /nfs/dbraw/zinc/34/23/76/454342376.db2.gz PBVITOIIFJLEOU-UHFFFAOYSA-N 0 0 341.367 3.329 40 5 EGBBRN Cc1cc([N+](=O)[O-])cnc1N1CCC(CCCn2ccnc2)CC1 ZINC000253398731 455840078 /nfs/dbraw/zinc/84/00/78/455840078.db2.gz OQVZSIVSNWMPQL-UHFFFAOYSA-N 0 0 329.404 3.192 40 5 EGBBRN CC(C)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000223735750 456060035 /nfs/dbraw/zinc/06/00/35/456060035.db2.gz VHAYQSWGSZWPGT-UHFFFAOYSA-N 0 0 334.397 3.197 40 5 EGBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000224680847 456068312 /nfs/dbraw/zinc/06/83/12/456068312.db2.gz ZRQCJHAFTIVAJI-UHFFFAOYSA-N 0 0 340.788 3.463 40 5 EGBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COC ZINC000224687380 456068926 /nfs/dbraw/zinc/06/89/26/456068926.db2.gz ZTOSPMCPAVHDNP-UHFFFAOYSA-N 0 0 330.340 3.392 40 5 EGBBRN CCc1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225026381 456072334 /nfs/dbraw/zinc/07/23/34/456072334.db2.gz XQOFCVJRCJGZHW-UHFFFAOYSA-N 0 0 334.397 3.372 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(F)cc1F ZINC000225085097 456072752 /nfs/dbraw/zinc/07/27/52/456072752.db2.gz GIOJKJVLPGLFQQ-UHFFFAOYSA-N 0 0 342.323 3.007 40 5 EGBBRN CCOc1ccccc1-c1nc(Sc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000408528916 457580928 /nfs/dbraw/zinc/58/09/28/457580928.db2.gz XLKYYGCOTIJENP-UHFFFAOYSA-N 0 0 343.368 3.325 40 5 EGBBRN O=[N+]([O-])c1ccc(NNC(=S)NCCCc2ccccc2)cc1 ZINC000408588630 457581607 /nfs/dbraw/zinc/58/16/07/457581607.db2.gz XMJQOXLNHGMVCK-UHFFFAOYSA-N 0 0 330.413 3.019 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccccn2)n1 ZINC000408583159 457581895 /nfs/dbraw/zinc/58/18/95/457581895.db2.gz RYJJDPSGNQAHAJ-UHFFFAOYSA-N 0 0 341.352 3.129 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc(F)c2)c1C ZINC000021596232 546522675 /nfs/dbraw/zinc/52/26/75/546522675.db2.gz LIHURNWAOYQCPB-UHFFFAOYSA-N 0 0 347.371 3.478 40 5 EGBBRN O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1)N1CCCCCC1 ZINC001504308198 1396271868 /nfs/dbraw/zinc/27/18/68/1396271868.db2.gz GPCNFSIZLOQAFH-OAHLLOKOSA-N 0 0 331.416 3.214 40 5 EGBBRN Cc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000055954442 214350916 /nfs/dbraw/zinc/35/09/16/214350916.db2.gz CCIAJVZDSUKSHU-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003370387 210020303 /nfs/dbraw/zinc/02/03/03/210020303.db2.gz XFKWAPIWMWIHEK-UHFFFAOYSA-N 0 0 334.759 3.229 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001986170 209809604 /nfs/dbraw/zinc/80/96/04/209809604.db2.gz USOYYWGNRRVROT-VMPITWQZSA-N 0 0 343.295 3.164 40 5 EGBBRN CCOC(=O)C(CC)(CCc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000001666548 209776739 /nfs/dbraw/zinc/77/67/39/209776739.db2.gz VXXCWJCHGUMBET-UHFFFAOYSA-N 0 0 337.372 3.050 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cn2cccn2)c1 ZINC000040074416 213258534 /nfs/dbraw/zinc/25/85/34/213258534.db2.gz FKDFXOMZKQXYRE-CMDGGOBGSA-N 0 0 348.362 3.492 40 5 EGBBRN CCC[C@@H](C)NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000022623882 212312107 /nfs/dbraw/zinc/31/21/07/212312107.db2.gz ODZLPXREJDBWCV-MRVPVSSYSA-N 0 0 332.303 3.123 40 5 EGBBRN CCOc1ccc(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000218159502 241302239 /nfs/dbraw/zinc/30/22/39/241302239.db2.gz LCEKXZQVYBZIRG-UHFFFAOYSA-N 0 0 342.395 3.285 40 5 EGBBRN CCc1ccc(CC)c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000225734318 242010943 /nfs/dbraw/zinc/01/09/43/242010943.db2.gz ZGMJAZOQLZWGDZ-UHFFFAOYSA-N 0 0 348.424 3.198 40 5 EGBBRN CCOc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000226273556 242093185 /nfs/dbraw/zinc/09/31/85/242093185.db2.gz KKQSJSMJCHRUTQ-LLVKDONJSA-N 0 0 330.340 3.299 40 5 EGBBRN O=C(C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000085482007 217675269 /nfs/dbraw/zinc/67/52/69/217675269.db2.gz NIOIYRRZIQMNED-INIZCTEOSA-N 0 0 338.363 3.472 40 5 EGBBRN C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009375895 211077106 /nfs/dbraw/zinc/07/71/06/211077106.db2.gz ABISQDWKJBBTMJ-GFCCVEGCSA-N 0 0 329.356 3.067 40 5 EGBBRN CC[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000007650906 210824236 /nfs/dbraw/zinc/82/42/36/210824236.db2.gz GGGFCMRUICFBDG-CQSZACIVSA-N 0 0 342.351 3.270 40 5 EGBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccn2)o1 ZINC000408583913 257895588 /nfs/dbraw/zinc/89/55/88/257895588.db2.gz YRALLQPBWJBZIY-UHFFFAOYSA-N 0 0 342.336 3.394 40 5 EGBBRN COC(=O)c1ccccc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000001741707 452677391 /nfs/dbraw/zinc/67/73/91/452677391.db2.gz IFBXCBFRLUJSHG-UHFFFAOYSA-N 0 0 333.275 3.165 40 5 EGBBRN Cc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000001993411 452683115 /nfs/dbraw/zinc/68/31/15/452683115.db2.gz SAKRGKIUCCUWDW-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1[N+](=O)[O-] ZINC000003015466 452740122 /nfs/dbraw/zinc/74/01/22/452740122.db2.gz JGPQJFPPAOSWFM-UHFFFAOYSA-N 0 0 344.308 3.365 40 5 EGBBRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005708557 452897174 /nfs/dbraw/zinc/89/71/74/452897174.db2.gz BCFCKKQYGFXDOB-UHFFFAOYSA-N 0 0 334.397 3.114 40 5 EGBBRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc([S@](C)=O)cc1 ZINC000012777070 453403205 /nfs/dbraw/zinc/40/32/05/453403205.db2.gz QHBQAOYSMZXKLJ-OIRASMEMSA-N 0 0 346.408 3.165 40 5 EGBBRN COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015471788 453573700 /nfs/dbraw/zinc/57/37/00/453573700.db2.gz CCZQKQZJBMXHAE-SRXBQZRASA-N 0 0 326.352 3.494 40 5 EGBBRN CC(=O)Nc1cc2[nH]c(=O)c3cc(Cl)ccc3c2cc1[N+](=O)[O-] ZINC000016951717 453624449 /nfs/dbraw/zinc/62/44/49/453624449.db2.gz LEMCOWSFHQTISD-UHFFFAOYSA-N 0 0 331.715 3.201 40 5 EGBBRN CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000018131774 453644497 /nfs/dbraw/zinc/64/44/97/453644497.db2.gz DICYWXHZXGOMKO-MRXNPFEDSA-N 0 0 328.368 3.413 40 5 EGBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000020139741 453661655 /nfs/dbraw/zinc/66/16/55/453661655.db2.gz CHIOSSPMBIKTCM-UHFFFAOYSA-N 0 0 328.280 3.192 40 5 EGBBRN CCn1c(Cc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cn1 ZINC000024238441 453728787 /nfs/dbraw/zinc/72/87/87/453728787.db2.gz RHKOXTOVKXJAGW-UHFFFAOYSA-N 0 0 341.396 3.343 40 5 EGBBRN Cc1sc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000024443896 453733561 /nfs/dbraw/zinc/73/35/61/453733561.db2.gz IHCMMVGHYPCZAO-HNNXBMFYSA-N 0 0 345.424 3.094 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000025249386 453763184 /nfs/dbraw/zinc/76/31/84/453763184.db2.gz CADNAKAUSVEXMA-UHFFFAOYSA-N 0 0 343.324 3.439 40 5 EGBBRN CC(=O)c1ccc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000028936626 453825651 /nfs/dbraw/zinc/82/56/51/453825651.db2.gz MIDBJZUUDSZCTC-CHWSQXEVSA-N 0 0 349.431 3.097 40 5 EGBBRN Cc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000033057167 453903021 /nfs/dbraw/zinc/90/30/21/453903021.db2.gz VHMBNHZWSFEFRK-CQSZACIVSA-N 0 0 339.395 3.084 40 5 EGBBRN Cc1cnc(OCc2noc(Cc3ccccc3C)n2)c([N+](=O)[O-])c1 ZINC000083095824 453938787 /nfs/dbraw/zinc/93/87/87/453938787.db2.gz HLQOQCODWRWLRC-UHFFFAOYSA-N 0 0 340.339 3.159 40 5 EGBBRN COc1ccc(NCc2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1 ZINC000040174575 453949619 /nfs/dbraw/zinc/94/96/19/453949619.db2.gz JZSYHBQOGISJIZ-UHFFFAOYSA-N 0 0 325.328 3.001 40 5 EGBBRN COC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000096445150 454351622 /nfs/dbraw/zinc/35/16/22/454351622.db2.gz JQRWEJKOMMAYFK-GFCCVEGCSA-N 0 0 338.747 3.267 40 5 EGBBRN Cc1nc(Cn2ccc(=O)c([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 ZINC000096468053 454360749 /nfs/dbraw/zinc/36/07/49/454360749.db2.gz QJTQGVXOOMAWGK-UHFFFAOYSA-N 0 0 345.742 3.422 40 5 EGBBRN CCn1c(Cc2ccccc2)nnc1Sc1ncccc1[N+](=O)[O-] ZINC000052412025 454671768 /nfs/dbraw/zinc/67/17/68/454671768.db2.gz VKFOOCIHFJGIBR-UHFFFAOYSA-N 0 0 341.396 3.343 40 5 EGBBRN CCSCc1cc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)no1 ZINC000186636099 455809932 /nfs/dbraw/zinc/80/99/32/455809932.db2.gz JHJJTVYJDJXLEP-UHFFFAOYSA-N 0 0 347.396 3.429 40 5 EGBBRN CSc1ccccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194642622 455868041 /nfs/dbraw/zinc/86/80/41/455868041.db2.gz KSDGVWSASLRGNE-UHFFFAOYSA-N 0 0 338.410 3.142 40 5 EGBBRN CCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408588998 457582594 /nfs/dbraw/zinc/58/25/94/457582594.db2.gz XRPZSAVPJMZNMR-UHFFFAOYSA-N 0 0 343.335 3.423 40 5 EGBBRN CNC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974970 457590168 /nfs/dbraw/zinc/59/01/68/457590168.db2.gz GYSNBKWDVMEZQH-UHFFFAOYSA-N 0 0 339.358 3.239 40 5 EGBBRN COC(=O)c1cccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c1 ZINC000408968375 457590186 /nfs/dbraw/zinc/59/01/86/457590186.db2.gz YFIDQKDCPQBWLI-UHFFFAOYSA-N 0 0 340.291 3.380 40 5 EGBBRN COc1cc2nc3ccc(NC(=S)N(C)C)cc3nc2cc1OC ZINC000409001268 457590740 /nfs/dbraw/zinc/59/07/40/457590740.db2.gz OSJVQWBKEVNRGF-UHFFFAOYSA-N 0 0 342.424 3.059 40 5 EGBBRN Cn1cccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409096599 457594088 /nfs/dbraw/zinc/59/40/88/457594088.db2.gz LMTSWHFLLIXJRU-ZROIWOOFSA-N 0 0 343.364 3.170 40 5 EGBBRN COCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000224402427 536701381 /nfs/dbraw/zinc/70/13/81/536701381.db2.gz OHYHACFNTOXHCC-UHFFFAOYSA-N 0 0 330.340 3.311 40 5 EGBBRN Cc1nc(NCc2ccco2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000004720668 210260295 /nfs/dbraw/zinc/26/02/95/210260295.db2.gz YGSGVKDUWYONPU-UHFFFAOYSA-N 0 0 329.316 3.103 40 5 EGBBRN O=[N+]([O-])c1cccc(-c2nnc3n2N[C@H](c2ccccc2)S3)c1 ZINC000003843195 210078725 /nfs/dbraw/zinc/07/87/25/210078725.db2.gz YMYOJYWSWQHQGX-AWEZNQCLSA-N 0 0 325.353 3.201 40 5 EGBBRN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003559147 210054970 /nfs/dbraw/zinc/05/49/70/210054970.db2.gz YTVKONMYLBTHPN-UHFFFAOYSA-N 0 0 334.715 3.287 40 5 EGBBRN Cc1c(CSc2nnnn2Cc2cccs2)cccc1[N+](=O)[O-] ZINC000040127795 213270081 /nfs/dbraw/zinc/27/00/81/213270081.db2.gz MKOWZLPCDGDIKA-UHFFFAOYSA-N 0 0 347.425 3.292 40 5 EGBBRN O=[N+]([O-])c1ccc(OCc2cccc(Br)c2)c(CO)c1 ZINC000035414924 213025498 /nfs/dbraw/zinc/02/54/98/213025498.db2.gz TZDCBSBNOGEQOE-UHFFFAOYSA-N 0 0 338.157 3.429 40 5 EGBBRN COc1ccc([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000020048770 212098128 /nfs/dbraw/zinc/09/81/28/212098128.db2.gz FSENDBUHCDKZOL-ASJRZHAZSA-N 0 0 326.352 3.494 40 5 EGBBRN Cc1c(C(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000134562034 223509041 /nfs/dbraw/zinc/50/90/41/223509041.db2.gz BUEFCRSLVDZAKO-PIGZYNQJSA-N 0 0 346.358 3.284 40 5 EGBBRN O=[N+]([O-])c1ccccc1NCc1ccnc(OC2CCOCC2)c1 ZINC000079097136 217192039 /nfs/dbraw/zinc/19/20/39/217192039.db2.gz AOHCWMNEKUBPQP-UHFFFAOYSA-N 0 0 329.356 3.160 40 5 EGBBRN CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000009479466 211088657 /nfs/dbraw/zinc/08/86/57/211088657.db2.gz AUGVJEAIZAMULH-UHFFFAOYSA-N 0 0 341.367 3.329 40 5 EGBBRN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000005604302 285025825 /nfs/dbraw/zinc/02/58/25/285025825.db2.gz IVOQZIOOZAQGGT-FQEVSTJZSA-N 0 0 346.342 3.449 40 5 EGBBRN Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000005121396 210394572 /nfs/dbraw/zinc/39/45/72/210394572.db2.gz WGQHQUSBVBTMOL-UHFFFAOYSA-N 0 0 326.761 3.357 40 5 EGBBRN CCC(=O)Nc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000004975842 210346565 /nfs/dbraw/zinc/34/65/65/210346565.db2.gz WXFPQAXRIYEOQM-UHFFFAOYSA-N 0 0 346.314 3.344 40 5 EGBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 ZINC000003514328 208564568 /nfs/dbraw/zinc/56/45/68/208564568.db2.gz INHCVUUYUUECMY-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000036620654 301740333 /nfs/dbraw/zinc/74/03/33/301740333.db2.gz XQJCDQNHINTAIV-HNNXBMFYSA-N 0 0 346.408 3.429 40 5 EGBBRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000001943789 452683168 /nfs/dbraw/zinc/68/31/68/452683168.db2.gz PMVUCJLXMKYFQQ-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC000002658018 452712110 /nfs/dbraw/zinc/71/21/10/452712110.db2.gz VTAHOZQEXUCBGU-UHFFFAOYSA-N 0 0 330.724 3.188 40 5 EGBBRN Cc1cc(O)cc(C)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003120951 452744949 /nfs/dbraw/zinc/74/49/49/452744949.db2.gz JMIPHRLBBVNVSA-UHFFFAOYSA-N 0 0 331.284 3.078 40 5 EGBBRN Cc1ccc(O[C@@H](C(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000005278121 452854499 /nfs/dbraw/zinc/85/44/99/452854499.db2.gz GFJBMWKRIZBJJK-MRXNPFEDSA-N 0 0 341.367 3.041 40 5 EGBBRN COC[C@H](C)n1c(C)cc(C(=O)COc2ccccc2[N+](=O)[O-])c1C ZINC000005869645 452907272 /nfs/dbraw/zinc/90/72/72/452907272.db2.gz QDIUYNBGUMOPIY-ZDUSSCGKSA-N 0 0 346.383 3.482 40 5 EGBBRN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000010113698 453274417 /nfs/dbraw/zinc/27/44/17/453274417.db2.gz KSUSQVMTNRJLJV-UHFFFAOYSA-N 0 0 333.775 3.114 40 5 EGBBRN CN(CCOc1ccc(F)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000014190043 453516621 /nfs/dbraw/zinc/51/66/21/453516621.db2.gz AGVYCWIUZCJFJU-BJMVGYQFSA-N 0 0 344.342 3.285 40 5 EGBBRN Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000018150912 453645345 /nfs/dbraw/zinc/64/53/45/453645345.db2.gz XVSAWMLSYFDHEU-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN COC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(OC)ccc1OC ZINC000024212393 453727631 /nfs/dbraw/zinc/72/76/31/453727631.db2.gz RZAHXGTWOJZDDX-UHFFFAOYSA-N 0 0 346.339 3.011 40 5 EGBBRN O=[N+]([O-])c1c(NC[C@H](O)c2ccc(Cl)cc2)nc2ccccn21 ZINC000030860109 453839629 /nfs/dbraw/zinc/83/96/29/453839629.db2.gz POOBFCXJLHVPAU-LBPRGKRZSA-N 0 0 332.747 3.041 40 5 EGBBRN Cc1cc(C)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1C ZINC000041095975 453956484 /nfs/dbraw/zinc/95/64/84/453956484.db2.gz PSMDWVBODIVLRH-UHFFFAOYSA-N 0 0 345.380 3.107 40 5 EGBBRN O=c1c([N+](=O)[O-])cccn1Cc1csc(CCc2ccccc2)n1 ZINC000084646970 454003336 /nfs/dbraw/zinc/00/33/36/454003336.db2.gz NEVCZYGOMNNKSC-UHFFFAOYSA-N 0 0 341.392 3.047 40 5 EGBBRN COc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058097839 454163296 /nfs/dbraw/zinc/16/32/96/454163296.db2.gz SPRQCXXHCSLSLY-UHFFFAOYSA-N 0 0 349.726 3.297 40 5 EGBBRN C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247672109 455636319 /nfs/dbraw/zinc/63/63/19/455636319.db2.gz QZAOTQWUPORFMH-JMSVASOKSA-N 0 0 347.371 3.060 40 5 EGBBRN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000253417074 455841961 /nfs/dbraw/zinc/84/19/61/455841961.db2.gz MEHYCQCXJWMNBP-OLZOCXBDSA-N 0 0 337.738 3.095 40 5 EGBBRN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224116029 547246466 /nfs/dbraw/zinc/24/64/66/547246466.db2.gz YQGOXMMGZFZKGM-UHFFFAOYSA-N 0 0 334.759 3.365 40 5 EGBBRN O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc([N+](=O)[O-])ccc12 ZINC000004713051 210256940 /nfs/dbraw/zinc/25/69/40/210256940.db2.gz XQAMDBDJJGQRDC-FPYGCLRLSA-N 0 0 339.263 3.175 40 5 EGBBRN Cc1cc(-c2n[nH]c(COc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000040169709 213278058 /nfs/dbraw/zinc/27/80/58/213278058.db2.gz AQZPBYBCCKMIRJ-UHFFFAOYSA-N 0 0 328.303 3.406 40 5 EGBBRN COc1ccc(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000000060888 209394511 /nfs/dbraw/zinc/39/45/11/209394511.db2.gz YCKIHKJFGQQOBP-UHFFFAOYSA-N 0 0 343.364 3.394 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(Cl)c1 ZINC000225072486 241793205 /nfs/dbraw/zinc/79/32/05/241793205.db2.gz XXRXNPOQXBMCSC-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000020460315 212133817 /nfs/dbraw/zinc/13/38/17/212133817.db2.gz QMXBLFKLTOQERO-KRWDZBQOSA-N 0 0 348.424 3.474 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccc(C)c(C)c1 ZINC000078556372 217076050 /nfs/dbraw/zinc/07/60/50/217076050.db2.gz DKDSAKNXGSEKNA-UHFFFAOYSA-N 0 0 335.381 3.194 40 5 EGBBRN COc1ccc(CN(C)C(=O)/C=C/c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000078996409 217168471 /nfs/dbraw/zinc/16/84/71/217168471.db2.gz PYUJZFAIASWGSN-FNORWQNLSA-N 0 0 347.396 3.040 40 5 EGBBRN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014737264 211759301 /nfs/dbraw/zinc/75/93/01/211759301.db2.gz IRMJELDZACHEQK-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN O=C(NC1CC1)[C@H](Oc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012747721 211443501 /nfs/dbraw/zinc/44/35/01/211443501.db2.gz AAKVYVVHCVZFDW-MRXNPFEDSA-N 0 0 330.315 3.133 40 5 EGBBRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc([S@](C)=O)cc1 ZINC000012777075 211453874 /nfs/dbraw/zinc/45/38/74/211453874.db2.gz QHBQAOYSMZXKLJ-FNODVLLQSA-N 0 0 346.408 3.165 40 5 EGBBRN CCOC(=O)c1[nH]c(C)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1C ZINC000009256191 211059385 /nfs/dbraw/zinc/05/93/85/211059385.db2.gz UISLFJBLLMYFLR-UHFFFAOYSA-N 0 0 346.339 3.073 40 5 EGBBRN CCN(c1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005708588 210522536 /nfs/dbraw/zinc/52/25/36/210522536.db2.gz VFGUHNYXQNGJBX-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN O=[N+]([O-])c1ccc([C@H]2O[C@H](c3ccc(Cl)cc3)OC[C@@H]2O)cc1 ZINC000015218604 285139475 /nfs/dbraw/zinc/13/94/75/285139475.db2.gz AJGWLCHMWYRDHW-ARFHVFGLSA-N 0 0 335.743 3.396 40 5 EGBBRN COc1cc(C(=O)N(CC(F)(F)F)C2CCC2)cc([N+](=O)[O-])c1C ZINC000191917053 533511930 /nfs/dbraw/zinc/51/19/30/533511930.db2.gz AOGMBDQIBQSTLW-UHFFFAOYSA-N 0 0 346.305 3.469 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(N2CCC(c3nncn3C3CC3)CC2)c1 ZINC000091483635 281011018 /nfs/dbraw/zinc/01/10/18/281011018.db2.gz DAZMMEKGQDGDOX-UHFFFAOYSA-N 0 0 327.388 3.214 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2nc3c(c(C(F)(F)F)n2)CCC3)nc1 ZINC000000582951 452628302 /nfs/dbraw/zinc/62/83/02/452628302.db2.gz ROJFVTAVQDKCNV-UHFFFAOYSA-N 0 0 342.302 3.439 40 5 EGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000001934420 452680588 /nfs/dbraw/zinc/68/05/88/452680588.db2.gz PIYHRGXPYJIFHV-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN COC(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003514238 452775651 /nfs/dbraw/zinc/77/56/51/452775651.db2.gz XFCLAKQQSPMATQ-UHFFFAOYSA-N 0 0 349.726 3.392 40 5 EGBBRN O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000005059798 452833817 /nfs/dbraw/zinc/83/38/17/452833817.db2.gz KQXIOKQUDFYGCE-UHFFFAOYSA-N 0 0 334.715 3.044 40 5 EGBBRN COC[C@H](C)n1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000005107235 452838848 /nfs/dbraw/zinc/83/88/48/452838848.db2.gz ZBEXDTCNNOYXRA-ZDUSSCGKSA-N 0 0 346.383 3.482 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005541211 452882264 /nfs/dbraw/zinc/88/22/64/452882264.db2.gz ATXMWDCAZSBLCL-UHFFFAOYSA-N 0 0 331.284 3.072 40 5 EGBBRN Cn1cnnc1Sc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000005943484 452912292 /nfs/dbraw/zinc/91/22/92/452912292.db2.gz MREZTITVDIIWLN-UHFFFAOYSA-N 0 0 340.364 3.106 40 5 EGBBRN Cc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000006430555 452943727 /nfs/dbraw/zinc/94/37/27/452943727.db2.gz GIJAOCGZHAZJSW-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] ZINC000007375685 453066263 /nfs/dbraw/zinc/06/62/63/453066263.db2.gz QMAOTTSSCMIEOA-UHFFFAOYSA-N 0 0 326.418 3.294 40 5 EGBBRN O=[N+]([O-])c1ccc2[nH]c(SC[C@@H]3COc4ccccc4O3)nc2c1 ZINC000008553854 453215922 /nfs/dbraw/zinc/21/59/22/453215922.db2.gz ILVRWRLNONBZSX-NSHDSACASA-N 0 0 343.364 3.403 40 5 EGBBRN COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000009141581 453244588 /nfs/dbraw/zinc/24/45/88/453244588.db2.gz TUIVQXNQXPBIOI-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000015270904 453563893 /nfs/dbraw/zinc/56/38/93/453563893.db2.gz AAPBODQZAJONIG-UHFFFAOYSA-N 0 0 346.339 3.263 40 5 EGBBRN CCCc1noc(-c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)n1 ZINC000015669954 453582224 /nfs/dbraw/zinc/58/22/24/453582224.db2.gz HCVNLMSDSMKALD-LBPRGKRZSA-N 0 0 332.360 3.188 40 5 EGBBRN CCc1ccc(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])s1 ZINC000025374201 453768266 /nfs/dbraw/zinc/76/82/66/453768266.db2.gz OFKQKFMHSBTBIQ-UHFFFAOYSA-N 0 0 349.364 3.024 40 5 EGBBRN CCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000029629913 453830286 /nfs/dbraw/zinc/83/02/86/453830286.db2.gz PYNZDERTMHFMAZ-UHFFFAOYSA-N 0 0 330.340 3.392 40 5 EGBBRN Cc1cc(OCc2nc(Cc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000031652571 453850897 /nfs/dbraw/zinc/85/08/97/453850897.db2.gz MJKOBIDCHSLEQV-UHFFFAOYSA-N 0 0 325.324 3.456 40 5 EGBBRN CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000032643842 453881590 /nfs/dbraw/zinc/88/15/90/453881590.db2.gz UKEXFWNCTYODJV-UHFFFAOYSA-N 0 0 342.355 3.377 40 5 EGBBRN C[S@@](=O)Cc1cc(Nc2ccncc2[N+](=O)[O-])ccc1Cl ZINC000096406549 454324746 /nfs/dbraw/zinc/32/47/46/454324746.db2.gz WMVVKJOBFXCYJZ-NRFANRHFSA-N 0 0 325.777 3.265 40 5 EGBBRN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000096414811 454331660 /nfs/dbraw/zinc/33/16/60/454331660.db2.gz PSYPJUYXNPDPTJ-MRXNPFEDSA-N 0 0 341.415 3.250 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)c1 ZINC000096425434 454338554 /nfs/dbraw/zinc/33/85/54/454338554.db2.gz FFRITHOAJVHICQ-CQSZACIVSA-N 0 0 347.396 3.249 40 5 EGBBRN O=[N+]([O-])c1ccc(NCc2ccc(-n3cncn3)cc2)c2ccncc21 ZINC000047405121 454367864 /nfs/dbraw/zinc/36/78/64/454367864.db2.gz SQUAKQWPVDZOOK-UHFFFAOYSA-N 0 0 346.350 3.336 40 5 EGBBRN COc1cccc(NCCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000062719256 454386199 /nfs/dbraw/zinc/38/61/99/454386199.db2.gz GOWMRWGGFPUAGB-UHFFFAOYSA-N 0 0 339.355 3.043 40 5 EGBBRN CC(C)CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000222985977 456052889 /nfs/dbraw/zinc/05/28/89/456052889.db2.gz RFVCKGSHUBQWMG-UHFFFAOYSA-N 0 0 338.414 3.447 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCOc1ccccc1Cl ZINC000223376501 456056466 /nfs/dbraw/zinc/05/64/66/456056466.db2.gz MKISRYSBFBIFPV-CMDGGOBGSA-N 0 0 346.770 3.457 40 5 EGBBRN CCc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000223436798 456057816 /nfs/dbraw/zinc/05/78/16/456057816.db2.gz QSPYOUZJYIXPMA-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000390835499 457447879 /nfs/dbraw/zinc/44/78/79/457447879.db2.gz OSUDBTUACIGQCV-KRWDZBQOSA-N 0 0 327.384 3.388 40 5 EGBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000408582733 457582483 /nfs/dbraw/zinc/58/24/83/457582483.db2.gz PQERBUVENZQUKJ-UHFFFAOYSA-N 0 0 345.296 3.099 40 5 EGBBRN CCCc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223373153 535420160 /nfs/dbraw/zinc/42/01/60/535420160.db2.gz WHLFDJMCQNTXQB-UHFFFAOYSA-N 0 0 328.368 3.356 40 5 EGBBRN CC[C@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000189791116 529561306 /nfs/dbraw/zinc/56/13/06/529561306.db2.gz WTVQNVFOJOZUBV-ZDUSSCGKSA-N 0 0 347.371 3.398 40 5 EGBBRN COc1ccc(NC(=O)/C=C/c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000004071315 210113104 /nfs/dbraw/zinc/11/31/04/210113104.db2.gz RPLUTYQEFDXTFH-JXMROGBWSA-N 0 0 328.324 3.264 40 5 EGBBRN COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000001716384 209787195 /nfs/dbraw/zinc/78/71/95/209787195.db2.gz BFIUBUXBEMNFJN-MDWZMJQESA-N 0 0 327.292 3.037 40 5 EGBBRN C[C@@H](NC(=O)NCc1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000069931215 215637603 /nfs/dbraw/zinc/63/76/03/215637603.db2.gz QZNTZAOYYLNQQJ-SNVBAGLBSA-N 0 0 346.412 3.489 40 5 EGBBRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1Br ZINC000037009255 213130508 /nfs/dbraw/zinc/13/05/08/213130508.db2.gz OHDAYPPYFQBZHF-UHFFFAOYSA-N 0 0 338.161 3.257 40 5 EGBBRN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036620811 213104916 /nfs/dbraw/zinc/10/49/16/213104916.db2.gz NXJCSQKXMWRVGH-QGZVFWFLSA-N 0 0 346.408 3.429 40 5 EGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCc1ccc(F)cc1 ZINC000217887419 241281312 /nfs/dbraw/zinc/28/13/12/241281312.db2.gz PRZTVZBNOXFRLX-DHZHZOJOSA-N 0 0 328.343 3.496 40 5 EGBBRN COc1ccc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000225989555 242084326 /nfs/dbraw/zinc/08/43/26/242084326.db2.gz CQOCNAJJGJNRNC-UHFFFAOYSA-N 0 0 340.379 3.294 40 5 EGBBRN CCOC(=O)[C@@H]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226755497 242115254 /nfs/dbraw/zinc/11/52/54/242115254.db2.gz BAPCLFQECSNSQY-LLVKDONJSA-N 0 0 326.780 3.336 40 5 EGBBRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000020048546 212098110 /nfs/dbraw/zinc/09/81/10/212098110.db2.gz CNYKUOQBDBKTLU-GFCCVEGCSA-N 0 0 344.367 3.411 40 5 EGBBRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1scnc1Cl ZINC000078769549 217117954 /nfs/dbraw/zinc/11/79/54/217117954.db2.gz NJBZJCQDOZMOCD-UHFFFAOYSA-N 0 0 349.759 3.143 40 5 EGBBRN CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1 ZINC000010113710 211148116 /nfs/dbraw/zinc/14/81/16/211148116.db2.gz KSXDCAZQVBJGGN-UHFFFAOYSA-N 0 0 325.368 3.472 40 5 EGBBRN Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000009112269 211040166 /nfs/dbraw/zinc/04/01/66/211040166.db2.gz MOLAVONZOLLBMA-UHFFFAOYSA-N 0 0 339.351 3.048 40 5 EGBBRN Cc1nn(C)c(N[C@H](c2ccc(F)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000095397328 218330140 /nfs/dbraw/zinc/33/01/40/218330140.db2.gz ZTJHIJARIDLNLR-OAHLLOKOSA-N 0 0 341.346 3.372 40 5 EGBBRN CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000095405095 218340463 /nfs/dbraw/zinc/34/04/63/218340463.db2.gz VHTYHVKKNMNIPT-SKDRFNHKSA-N 0 0 346.305 3.159 40 5 EGBBRN C[C@H](CCc1ccccc1)NC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000008193557 210911501 /nfs/dbraw/zinc/91/15/01/210911501.db2.gz GFZYCAOPEPDYAT-CQSZACIVSA-N 0 0 327.384 3.144 40 5 EGBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc21 ZINC000004762943 284989731 /nfs/dbraw/zinc/98/97/31/284989731.db2.gz HEIBYCPYZHPPQW-QFBVAWSSSA-N 0 0 334.331 3.060 40 5 EGBBRN CC(C)(C)c1cc(-n2ccc(=O)c([N+](=O)[O-])c2)nc(C(C)(C)C)n1 ZINC000096482716 218857887 /nfs/dbraw/zinc/85/78/87/218857887.db2.gz AEZAHVCVJVAZCV-UHFFFAOYSA-N 0 0 330.388 3.131 40 5 EGBBRN O=[N+]([O-])c1ccc(OCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001572446 285137469 /nfs/dbraw/zinc/13/74/69/285137469.db2.gz HLMUNTISFOMKSW-UHFFFAOYSA-N 0 0 327.745 3.058 40 5 EGBBRN Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224750411 291908210 /nfs/dbraw/zinc/90/82/10/291908210.db2.gz PEQPNUOYOQPDRW-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN COc1ccc(-c2nn(Cc3ccccc3)c(N)c2C)cc1[N+](=O)[O-] ZINC000199750690 257844323 /nfs/dbraw/zinc/84/43/23/257844323.db2.gz XSJOBHNKAYROJY-UHFFFAOYSA-N 0 0 338.367 3.406 40 5 EGBBRN CC1CCN(c2ccc(C(=O)Nc3cccnc3)cc2[N+](=O)[O-])CC1 ZINC000015436414 257857997 /nfs/dbraw/zinc/85/79/97/257857997.db2.gz KBQWDEDLUOVHDE-UHFFFAOYSA-N 0 0 340.383 3.478 40 5 EGBBRN CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997500 257915647 /nfs/dbraw/zinc/91/56/47/257915647.db2.gz XCFXPXZXFBZBFE-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN O=C(NC1(c2ccccc2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000096405704 303722111 /nfs/dbraw/zinc/72/21/11/303722111.db2.gz XFHOOGWVGZMASG-UHFFFAOYSA-N 0 0 326.352 3.031 40 5 EGBBRN Cn1cnc([N+](=O)[O-])c1Sc1nc2cc(F)c(Cl)cc2[nH]1 ZINC000005504386 452878477 /nfs/dbraw/zinc/87/84/77/452878477.db2.gz OFMFRGVLOPNLFM-UHFFFAOYSA-N 0 0 327.728 3.148 40 5 EGBBRN Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000005537129 452882664 /nfs/dbraw/zinc/88/26/64/452882664.db2.gz FRJJBFJAQQUFEA-CMDGGOBGSA-N 0 0 327.296 3.463 40 5 EGBBRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006236773 452927686 /nfs/dbraw/zinc/92/76/86/452927686.db2.gz UOFDOXJPKOUALH-XHSDSOJGSA-N 0 0 343.427 3.070 40 5 EGBBRN Cc1ccc(NC(=O)CCC(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000006479225 452946999 /nfs/dbraw/zinc/94/69/99/452946999.db2.gz JSMAXXQVNAVKFL-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN Cc1cccc(NC(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000006523025 452950753 /nfs/dbraw/zinc/95/07/53/452950753.db2.gz XMQDDSVSNJOTKY-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN COc1ccccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000006832160 452996241 /nfs/dbraw/zinc/99/62/41/452996241.db2.gz FAORTTZRLYNJQN-LLVKDONJSA-N 0 0 345.355 3.051 40 5 EGBBRN COc1ccc(-c2nnc(Sc3ncccc3[N+](=O)[O-])o2)cc1 ZINC000007186323 453041561 /nfs/dbraw/zinc/04/15/61/453041561.db2.gz HLICZJVZLZMGCR-UHFFFAOYSA-N 0 0 330.325 3.200 40 5 EGBBRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc2c(c1)CCC2 ZINC000008329855 453194241 /nfs/dbraw/zinc/19/42/41/453194241.db2.gz WKJDMOZIFXUYDC-SNVBAGLBSA-N 0 0 329.308 3.105 40 5 EGBBRN Cc1c(C(=O)NCCCN2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000010113726 453275409 /nfs/dbraw/zinc/27/54/09/453275409.db2.gz MRHMFFDZOZCUMV-UHFFFAOYSA-N 0 0 339.395 3.086 40 5 EGBBRN Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C)c1 ZINC000014015808 453497439 /nfs/dbraw/zinc/49/74/39/453497439.db2.gz HKGUGGPMNGQMGR-UHFFFAOYSA-N 0 0 337.339 3.045 40 5 EGBBRN O=c1ccc([N+](=O)[O-])cn1Cc1csc(-c2ccc(F)cc2)n1 ZINC000014845712 453546119 /nfs/dbraw/zinc/54/61/19/453546119.db2.gz HWLKCWNABIMSIY-UHFFFAOYSA-N 0 0 331.328 3.067 40 5 EGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000020238356 453662957 /nfs/dbraw/zinc/66/29/57/453662957.db2.gz NYTOXEDIOBLDAE-UHFFFAOYSA-N 0 0 342.420 3.413 40 5 EGBBRN CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccccc1 ZINC000024237092 453729087 /nfs/dbraw/zinc/72/90/87/453729087.db2.gz HFVZMGVVCXKKAQ-UHFFFAOYSA-N 0 0 327.369 3.419 40 5 EGBBRN O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000031097555 453838559 /nfs/dbraw/zinc/83/85/59/453838559.db2.gz YFRRIZQLBFSXDA-CQSZACIVSA-N 0 0 335.747 3.103 40 5 EGBBRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2ccc(F)cc2)c1 ZINC000031487860 453847990 /nfs/dbraw/zinc/84/79/90/453847990.db2.gz JGZMWVZDCJBILV-UHFFFAOYSA-N 0 0 346.358 3.170 40 5 EGBBRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1F ZINC000058005361 454159821 /nfs/dbraw/zinc/15/98/21/454159821.db2.gz PSOLNMDJMJVPTP-UHFFFAOYSA-N 0 0 349.274 3.041 40 5 EGBBRN CCc1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059471937 454259968 /nfs/dbraw/zinc/25/99/68/454259968.db2.gz LWGZGKUUVFGBGX-KPKJPENVSA-N 0 0 340.379 3.366 40 5 EGBBRN O=C(NCCc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032478 454267807 /nfs/dbraw/zinc/26/78/07/454267807.db2.gz BOERTFQRMIYDOX-UHFFFAOYSA-N 0 0 335.747 3.318 40 5 EGBBRN Cc1ccc([C@H]2CCCCCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000096414212 454331123 /nfs/dbraw/zinc/33/11/23/454331123.db2.gz DHNDURVLGRPGGE-CQSZACIVSA-N 0 0 346.387 3.145 40 5 EGBBRN O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2nnc3n2CCCCC3)cs1 ZINC000096414815 454331296 /nfs/dbraw/zinc/33/12/96/454331296.db2.gz OVTBMDBMQZNQSS-CYBMUJFWSA-N 0 0 347.444 3.311 40 5 EGBBRN CN(c1ccccc1F)S(=O)(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000096435705 454347906 /nfs/dbraw/zinc/34/79/06/454347906.db2.gz VJMGSCJCAGFPRO-UHFFFAOYSA-N 0 0 349.343 3.040 40 5 EGBBRN CC(C)(NC(=O)CCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000096456547 454358410 /nfs/dbraw/zinc/35/84/10/454358410.db2.gz OYJYJZMVTNYZIA-UHFFFAOYSA-N 0 0 327.384 3.364 40 5 EGBBRN C[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000096482441 454364718 /nfs/dbraw/zinc/36/47/18/454364718.db2.gz YVAWTJRDFWDYDH-SNVBAGLBSA-N 0 0 334.759 3.315 40 5 EGBBRN O=C(NCCOCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175544960 455461824 /nfs/dbraw/zinc/46/18/24/455461824.db2.gz QXFWUKMEXHSIGP-UHFFFAOYSA-N 0 0 334.759 3.195 40 5 EGBBRN Cc1ccc(C)c(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000223976366 456063148 /nfs/dbraw/zinc/06/31/48/456063148.db2.gz RFHVHKPLYDUUDX-UHFFFAOYSA-N 0 0 328.368 3.329 40 5 EGBBRN Cc1cc(C)c(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000225008289 456072253 /nfs/dbraw/zinc/07/22/53/456072253.db2.gz VAELSMGTSLJPNT-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1c(C)cccc1C ZINC000225070366 456073492 /nfs/dbraw/zinc/07/34/92/456073492.db2.gz HARFDGDSHLRMLE-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)NCCc1ccccc1 ZINC000408723841 457587971 /nfs/dbraw/zinc/58/79/71/457587971.db2.gz UBYFWVRQVNECMA-UHFFFAOYSA-N 0 0 330.409 3.187 40 5 EGBBRN O=C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000409392948 457598929 /nfs/dbraw/zinc/59/89/29/457598929.db2.gz UIIWUSCJBCHSIN-UHFFFAOYSA-N 0 0 344.308 3.312 40 5 EGBBRN CCOc1ccc(-c2nnc3nc4c(nn32)c2ccccc2n4C)cc1 ZINC000588229161 459934926 /nfs/dbraw/zinc/93/49/26/459934926.db2.gz JQJRUUDIVCBRAP-UHFFFAOYSA-N 0 0 344.378 3.230 40 5 EGBBRN C[C@H](NC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000199423470 1296088825 /nfs/dbraw/zinc/08/88/25/1296088825.db2.gz TYBOUCNUFVKEGW-ZDUSSCGKSA-N 0 0 341.367 3.191 40 5 EGBBRN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055679748 214337714 /nfs/dbraw/zinc/33/77/14/214337714.db2.gz QKXVYOCLDWDMES-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN Cc1cccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000557677 209663725 /nfs/dbraw/zinc/66/37/25/209663725.db2.gz RSTXBDCGWBZRFD-UHFFFAOYSA-N 0 0 329.381 3.338 40 5 EGBBRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000036811222 213120040 /nfs/dbraw/zinc/12/00/40/213120040.db2.gz OZTGCLQUGDENRO-CYBMUJFWSA-N 0 0 348.424 3.191 40 5 EGBBRN CC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000036392541 213096251 /nfs/dbraw/zinc/09/62/51/213096251.db2.gz OYBOPNRCKDIYSA-UHFFFAOYSA-N 0 0 333.369 3.484 40 5 EGBBRN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCC(S(C)(=O)=O)CC1 ZINC000193356926 240131050 /nfs/dbraw/zinc/13/10/50/240131050.db2.gz HVACSYOFTNDXJJ-UHFFFAOYSA-N 0 0 346.836 3.324 40 5 EGBBRN CC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000019933536 212086324 /nfs/dbraw/zinc/08/63/24/212086324.db2.gz XATPHQRTPNLUSV-HNNXBMFYSA-N 0 0 334.397 3.333 40 5 EGBBRN CCOc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000010112197 211148357 /nfs/dbraw/zinc/14/83/57/211148357.db2.gz FBZBNPGIWNKNQO-UHFFFAOYSA-N 0 0 336.369 3.103 40 5 EGBBRN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc21 ZINC000013511011 284990979 /nfs/dbraw/zinc/99/09/79/284990979.db2.gz HEIBYCPYZHPPQW-BRTARUFTSA-N 0 0 334.331 3.060 40 5 EGBBRN Cc1cc([C@@](C)(O)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)o1 ZINC000096433636 218810549 /nfs/dbraw/zinc/81/05/49/218810549.db2.gz ZUMYDBANSULJLP-KRWDZBQOSA-N 0 0 347.371 3.142 40 5 EGBBRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1Cl ZINC000005514780 210478871 /nfs/dbraw/zinc/47/88/71/210478871.db2.gz BFEJFDDBZRIEHE-UHFFFAOYSA-N 0 0 334.715 3.272 40 5 EGBBRN Cc1cc(C)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000004902649 210317161 /nfs/dbraw/zinc/31/71/61/210317161.db2.gz JZIIPQDVJCTQPG-UHFFFAOYSA-N 0 0 332.385 3.041 40 5 EGBBRN O=[N+]([O-])c1ccccc1N1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026701141 285162540 /nfs/dbraw/zinc/16/25/40/285162540.db2.gz SUXNKMGNJGBCFD-UHFFFAOYSA-N 0 0 342.355 3.220 40 5 EGBBRN O=C1N[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)Oc2ccccc21 ZINC000059488786 257850175 /nfs/dbraw/zinc/85/01/75/257850175.db2.gz IHQQYRYOBFELTF-SFHVURJKSA-N 0 0 339.351 3.016 40 5 EGBBRN Cc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000039742481 257854501 /nfs/dbraw/zinc/85/45/01/257854501.db2.gz DCVZVYRLKYOMET-UHFFFAOYSA-N 0 0 330.325 3.267 40 5 EGBBRN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023025391 292267218 /nfs/dbraw/zinc/26/72/18/292267218.db2.gz FAVGDCQZNIRFRB-QGZVFWFLSA-N 0 0 346.408 3.429 40 5 EGBBRN Cc1cc(=O)oc2cc3oc(N(C)c4ccccc4)nc(=O)c3cc12 ZINC000001563453 280306506 /nfs/dbraw/zinc/30/65/06/280306506.db2.gz LBFXTYIMKVQBHX-UHFFFAOYSA-N 0 0 334.331 3.371 40 5 EGBBRN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000024391430 289763210 /nfs/dbraw/zinc/76/32/10/289763210.db2.gz UDVBWNSKWVPVFZ-UHFFFAOYSA-N 0 0 343.383 3.450 40 5 EGBBRN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCc1ccccc1 ZINC000000149060 452523219 /nfs/dbraw/zinc/52/32/19/452523219.db2.gz MQTBEAIFDSHWSA-VAWYXSNFSA-N 0 0 327.336 3.481 40 5 EGBBRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O ZINC000003120948 452744972 /nfs/dbraw/zinc/74/49/72/452744972.db2.gz GTBMJAZDVJIUTJ-UHFFFAOYSA-N 0 0 331.284 3.078 40 5 EGBBRN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003173452 452746682 /nfs/dbraw/zinc/74/66/82/452746682.db2.gz TZJPHZUKGZOURE-NYYWCZLTSA-N 0 0 325.324 3.205 40 5 EGBBRN Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000007376000 453066898 /nfs/dbraw/zinc/06/68/98/453066898.db2.gz DFNJQMUUPDAGFT-MRXNPFEDSA-N 0 0 346.408 3.259 40 5 EGBBRN COc1ccc(COC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1F ZINC000007506994 453083433 /nfs/dbraw/zinc/08/34/33/453083433.db2.gz IQPOQCJBDAIVMJ-VQHVLOKHSA-N 0 0 331.299 3.499 40 5 EGBBRN CC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000009377705 453251476 /nfs/dbraw/zinc/25/14/76/453251476.db2.gz SNIPOHWCPDMJKA-UHFFFAOYSA-N 0 0 343.358 3.263 40 5 EGBBRN CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014737268 453542777 /nfs/dbraw/zinc/54/27/77/453542777.db2.gz IOWXGHHUOBXAHC-UHFFFAOYSA-N 0 0 340.788 3.069 40 5 EGBBRN Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000018230991 453648207 /nfs/dbraw/zinc/64/82/07/453648207.db2.gz BVOBNMFUYQKFQU-GFCCVEGCSA-N 0 0 342.351 3.165 40 5 EGBBRN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000018838656 453652029 /nfs/dbraw/zinc/65/20/29/453652029.db2.gz QLQGBEQAFDUDSO-LBPRGKRZSA-N 0 0 342.351 3.165 40 5 EGBBRN Cc1cc(OCC(=O)Nc2ccnn2C2CCCC2)ccc1[N+](=O)[O-] ZINC000024521036 453736041 /nfs/dbraw/zinc/73/60/41/453736041.db2.gz BPUXOKBMNQXLGG-UHFFFAOYSA-N 0 0 344.371 3.232 40 5 EGBBRN O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024502915 453736170 /nfs/dbraw/zinc/73/61/70/453736170.db2.gz BPIBFBYMDGIURD-UHFFFAOYSA-N 0 0 340.314 3.101 40 5 EGBBRN Nc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000025374399 453768588 /nfs/dbraw/zinc/76/85/88/453768588.db2.gz ATGBZJLOISZHNG-UHFFFAOYSA-N 0 0 336.731 3.066 40 5 EGBBRN COCCN(Cc1cccs1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000036625344 453928680 /nfs/dbraw/zinc/92/86/80/453928680.db2.gz OOJASLHVPPHNCZ-UHFFFAOYSA-N 0 0 334.397 3.254 40 5 EGBBRN O=C(NC1CCCCC1)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054981137 453954713 /nfs/dbraw/zinc/95/47/13/453954713.db2.gz XPIUQIXBQKLNIK-UHFFFAOYSA-N 0 0 346.431 3.196 40 5 EGBBRN CSc1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000044904898 454125891 /nfs/dbraw/zinc/12/58/91/454125891.db2.gz WTOXPNMJWHCQRN-UHFFFAOYSA-N 0 0 338.410 3.259 40 5 EGBBRN CCCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C)[nH]1 ZINC000070462435 454169100 /nfs/dbraw/zinc/16/91/00/454169100.db2.gz GOIOSHYINDTXAQ-UHFFFAOYSA-N 0 0 336.373 3.129 40 5 EGBBRN COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059351897 454258049 /nfs/dbraw/zinc/25/80/49/454258049.db2.gz LQNGNMRYCBFWSK-YQJFHSMKSA-N 0 0 326.352 3.494 40 5 EGBBRN O=[N+]([O-])c1ccc(N2CC[C@H](CNc3ccccn3)C2)c2ccncc21 ZINC000195513652 455975310 /nfs/dbraw/zinc/97/53/10/455975310.db2.gz DJHJCOPJFPUIMG-CQSZACIVSA-N 0 0 349.394 3.476 40 5 EGBBRN O=c1c2oc3ccccc3c2ncn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000188264011 456031603 /nfs/dbraw/zinc/03/16/03/456031603.db2.gz BYGTYJVRYAXTQC-UHFFFAOYSA-N 0 0 339.282 3.238 40 5 EGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc3ccccc32)c1 ZINC000222850869 456050759 /nfs/dbraw/zinc/05/07/59/456050759.db2.gz QEKJEMSQESKCBI-UHFFFAOYSA-N 0 0 342.376 3.227 40 5 EGBBRN CN(c1cccnn1)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000225560251 456093840 /nfs/dbraw/zinc/09/38/40/456093840.db2.gz SVWBASRCTKNUCL-UHFFFAOYSA-N 0 0 347.806 3.143 40 5 EGBBRN CCCCN(C)C(=O)/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000408535051 457580512 /nfs/dbraw/zinc/58/05/12/457580512.db2.gz XJSFHHVHAPZZBM-CMDGGOBGSA-N 0 0 340.383 3.324 40 5 EGBBRN COc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000042109732 524742428 /nfs/dbraw/zinc/74/24/28/524742428.db2.gz LJIAQBRPWHRPII-KRWDZBQOSA-N 0 0 339.351 3.297 40 5 EGBBRN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000055675083 214337787 /nfs/dbraw/zinc/33/77/87/214337787.db2.gz YPUZEKMGHSWKFF-UHFFFAOYSA-N 0 0 334.397 3.345 40 5 EGBBRN O=[N+]([O-])c1ccc2c(c1)nnn2CNc1ccc(Br)cc1 ZINC000003155109 209971369 /nfs/dbraw/zinc/97/13/69/209971369.db2.gz SJWPLOLHRZDOGM-UHFFFAOYSA-N 0 0 348.160 3.172 40 5 EGBBRN Cc1c(C(=O)NCc2ccc(-n3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000040105354 213265020 /nfs/dbraw/zinc/26/50/20/213265020.db2.gz IGXAJMIOVZQMPA-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000038754643 213224625 /nfs/dbraw/zinc/22/46/25/213224625.db2.gz RNUGDLLATVUOAX-AWEZNQCLSA-N 0 0 348.424 3.392 40 5 EGBBRN O=[N+]([O-])c1cnc(N[C@H]2CCCc3ccccc32)nc1NC1CC1 ZINC000037171485 213134363 /nfs/dbraw/zinc/13/43/63/213134363.db2.gz KDEBWVYZUDWWAJ-AWEZNQCLSA-N 0 0 325.372 3.449 40 5 EGBBRN CCN(Cc1ccc(C(=O)OC)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000036393915 213096023 /nfs/dbraw/zinc/09/60/23/213096023.db2.gz HQSOXOUKOSFOLM-UHFFFAOYSA-N 0 0 328.368 3.404 40 5 EGBBRN COc1ccc(OC)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000032908270 212868273 /nfs/dbraw/zinc/86/82/73/212868273.db2.gz ISDSEZRZTZGXHX-UHFFFAOYSA-N 0 0 348.330 3.322 40 5 EGBBRN Cc1cc(C(=O)NCc2ccc(-n3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000022530324 212306178 /nfs/dbraw/zinc/30/61/78/212306178.db2.gz TUNVFJKZHJSSHH-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000218159753 241302143 /nfs/dbraw/zinc/30/21/43/241302143.db2.gz VYEWHJOJRYUHCG-CQSZACIVSA-N 0 0 328.368 3.029 40 5 EGBBRN Cc1c(C(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000134561988 223508811 /nfs/dbraw/zinc/50/88/11/223508811.db2.gz BUEFCRSLVDZAKO-DIFFPNOSSA-N 0 0 346.358 3.284 40 5 EGBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCCSCc1ccccc1F ZINC000008777743 211005126 /nfs/dbraw/zinc/00/51/26/211005126.db2.gz BBZSPHMNFYDVQI-UHFFFAOYSA-N 0 0 348.399 3.326 40 5 EGBBRN Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc(C)c1C ZINC000007239032 210772628 /nfs/dbraw/zinc/77/26/28/210772628.db2.gz MTZSJEBBFVONPA-UHFFFAOYSA-N 0 0 332.385 3.041 40 5 EGBBRN Cc1ccc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(O)c1 ZINC000006160830 210596096 /nfs/dbraw/zinc/59/60/96/210596096.db2.gz ULJHBYJSYLFEBS-UHFFFAOYSA-N 0 0 343.364 3.460 40 5 EGBBRN CCS(=O)(=O)c1cccc(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000096427550 218799774 /nfs/dbraw/zinc/79/97/74/218799774.db2.gz HUMPLCXLLVCTAV-UHFFFAOYSA-N 0 0 334.397 3.309 40 5 EGBBRN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000096482440 218857529 /nfs/dbraw/zinc/85/75/29/218857529.db2.gz YVAWTJRDFWDYDH-JTQLQIEISA-N 0 0 334.759 3.315 40 5 EGBBRN CCN(c1c(C)cccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224742584 285143973 /nfs/dbraw/zinc/14/39/73/285143973.db2.gz ZPMXTXGZDCMMMA-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN COc1ccc(CNC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408725146 257890806 /nfs/dbraw/zinc/89/08/06/257890806.db2.gz CZTHTRHKLXZYTP-UHFFFAOYSA-N 0 0 346.408 3.153 40 5 EGBBRN C[C@H](CC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)[N+](C)(C)[O-] ZINC000006491591 298318574 /nfs/dbraw/zinc/31/85/74/298318574.db2.gz FMXNOEMSCSFPHT-QGZVFWFLSA-N 0 0 340.467 3.414 40 5 EGBBRN O=C([C@@H]1CCOC1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000097212689 323215274 /nfs/dbraw/zinc/21/52/74/323215274.db2.gz LCXARCZEHXVMLO-OAHLLOKOSA-N 0 0 326.352 3.165 40 5 EGBBRN Cc1nc(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2c1CCC2 ZINC000000582069 452627611 /nfs/dbraw/zinc/62/76/11/452627611.db2.gz UZWKATGLELHRRY-UHFFFAOYSA-N 0 0 329.381 3.157 40 5 EGBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000001972500 452683639 /nfs/dbraw/zinc/68/36/39/452683639.db2.gz IZKVJQYPXZWQQL-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000001943761 452683784 /nfs/dbraw/zinc/68/37/84/452683784.db2.gz OKJYXIMSWYVGTI-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN O=[N+]([O-])c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1 ZINC000002765273 452721007 /nfs/dbraw/zinc/72/10/07/452721007.db2.gz QWLXSMGZCBXXPS-UHFFFAOYSA-N 0 0 327.409 3.093 40 5 EGBBRN Cc1ccccc1C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000003488057 452771683 /nfs/dbraw/zinc/77/16/83/452771683.db2.gz UHWQEWLEQZSHSH-UHFFFAOYSA-N 0 0 328.324 3.007 40 5 EGBBRN CCOC(=O)Cc1csc(=NSc2ccccc2[N+](=O)[O-])[nH]1 ZINC000005472983 452877136 /nfs/dbraw/zinc/87/71/36/452877136.db2.gz QUGVKVKQLUEVMV-UHFFFAOYSA-N 0 0 339.398 3.276 40 5 EGBBRN Cn1ccnc1Sc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005635119 452890024 /nfs/dbraw/zinc/89/00/24/452890024.db2.gz IQOLOJQDBMGPLJ-UHFFFAOYSA-N 0 0 348.262 3.407 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C)c(C)c1 ZINC000005814912 452903383 /nfs/dbraw/zinc/90/33/83/452903383.db2.gz VDSDQULVUIHXTQ-UHFFFAOYSA-N 0 0 330.340 3.238 40 5 EGBBRN CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006277990 452931120 /nfs/dbraw/zinc/93/11/20/452931120.db2.gz ZNZLZLBQDBBGEA-UHFFFAOYSA-N 0 0 334.759 3.399 40 5 EGBBRN COc1ccccc1[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000006309482 452933552 /nfs/dbraw/zinc/93/35/52/452933552.db2.gz IYUVRMCSEGYHMI-OCHBPSSRSA-N 0 0 326.352 3.494 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NCC1N=NC(=S)N1c1ccccc1 ZINC000006533888 452949844 /nfs/dbraw/zinc/94/98/44/452949844.db2.gz MMAXTEPIWQVBBI-UHFFFAOYSA-N 0 0 341.396 3.385 40 5 EGBBRN CCOc1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000010448439 453291957 /nfs/dbraw/zinc/29/19/57/453291957.db2.gz PEBABILAUMDPQC-DHZHZOJOSA-N 0 0 326.352 3.323 40 5 EGBBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013667560 453478024 /nfs/dbraw/zinc/47/80/24/453478024.db2.gz PTRCGURIGKLWMS-CYBMUJFWSA-N 0 0 344.367 3.109 40 5 EGBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cc(-c2ccccc2)on1 ZINC000024776448 453747598 /nfs/dbraw/zinc/74/75/98/453747598.db2.gz NLYHHACXSOXCHI-UHFFFAOYSA-N 0 0 349.302 3.046 40 5 EGBBRN C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053126808 453859870 /nfs/dbraw/zinc/85/98/70/453859870.db2.gz VFFDAAXCACTSQB-SNVBAGLBSA-N 0 0 349.337 3.165 40 5 EGBBRN O=C(/C=C/c1ccco1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000039762437 453945620 /nfs/dbraw/zinc/94/56/20/453945620.db2.gz TXXWSHDOQRIIQK-BQYQJAHWSA-N 0 0 342.336 3.358 40 5 EGBBRN COc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000040946181 453954870 /nfs/dbraw/zinc/95/48/70/453954870.db2.gz UKQRDIKVSDVHCV-GFCCVEGCSA-N 0 0 330.340 3.318 40 5 EGBBRN Cc1cc(C(=O)NCc2ccccc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000055696429 454007071 /nfs/dbraw/zinc/00/70/71/454007071.db2.gz NYBIZFGXMHTQKM-UHFFFAOYSA-N 0 0 336.351 3.019 40 5 EGBBRN CN1C(=O)[C@H]2C=CC=C[C@H]2N=C1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000096310119 454318366 /nfs/dbraw/zinc/31/83/66/454318366.db2.gz LIHXCSZPUAXTNN-CMPLNLGQSA-N 0 0 349.799 3.279 40 5 EGBBRN O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000096423310 454337425 /nfs/dbraw/zinc/33/74/25/454337425.db2.gz MUTRBBFDCCHJKD-IRXDYDNUSA-N 0 0 326.352 3.007 40 5 EGBBRN Cc1c(C(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000134561962 454560623 /nfs/dbraw/zinc/56/06/23/454560623.db2.gz BUEFCRSLVDZAKO-GTNSWQLSSA-N 0 0 346.358 3.284 40 5 EGBBRN COC(=O)c1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 ZINC000141527479 454830289 /nfs/dbraw/zinc/83/02/89/454830289.db2.gz WSCDHCMAYDIYBO-UHFFFAOYSA-N 0 0 340.291 3.380 40 5 EGBBRN Cc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225029172 456072005 /nfs/dbraw/zinc/07/20/05/456072005.db2.gz RGNPUSGRLODEGW-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN CCN(c1ccc(C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225069405 456073253 /nfs/dbraw/zinc/07/32/53/456073253.db2.gz XAKCOCZLFMBQMC-UHFFFAOYSA-N 0 0 334.397 3.427 40 5 EGBBRN CCc1onc(C)c1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281576426 456269750 /nfs/dbraw/zinc/26/97/50/456269750.db2.gz MPICCDUZQQNBHT-UHFFFAOYSA-N 0 0 333.344 3.170 40 5 EGBBRN Cc1noc(C)c1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096448295 518194141 /nfs/dbraw/zinc/19/41/41/518194141.db2.gz DQQGABOVPUWWMP-UHFFFAOYSA-N 0 0 343.261 3.495 40 5 EGBBRN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000004070384 210112291 /nfs/dbraw/zinc/11/22/91/210112291.db2.gz YHVWVZGDYCIGRZ-UHFFFAOYSA-N 0 0 326.337 3.366 40 5 EGBBRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036620810 213105152 /nfs/dbraw/zinc/10/51/52/213105152.db2.gz NXJCSQKXMWRVGH-KRWDZBQOSA-N 0 0 346.408 3.429 40 5 EGBBRN CN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000035101452 213007914 /nfs/dbraw/zinc/00/79/14/213007914.db2.gz XQQNGMOWNCWOLN-UHFFFAOYSA-N 0 0 332.809 3.201 40 5 EGBBRN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(F)cc1F ZINC000024207783 212413649 /nfs/dbraw/zinc/41/36/49/212413649.db2.gz FTBBIAWFXJGFKT-UHFFFAOYSA-N 0 0 336.294 3.296 40 5 EGBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000224768335 241777823 /nfs/dbraw/zinc/77/78/23/241777823.db2.gz REQUOIKNLAJJKC-UHFFFAOYSA-N 0 0 340.788 3.382 40 5 EGBBRN O=C(N[C@@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004072584 284041762 /nfs/dbraw/zinc/04/17/62/284041762.db2.gz BLRZAUBSJKUPIF-MRXNPFEDSA-N 0 0 341.323 3.310 40 5 EGBBRN COc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000020456806 212132246 /nfs/dbraw/zinc/13/22/46/212132246.db2.gz VKMJZCWQXZQOHE-LBPRGKRZSA-N 0 0 330.340 3.318 40 5 EGBBRN CCCO[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000078671051 217099338 /nfs/dbraw/zinc/09/93/38/217099338.db2.gz PJAYWIZFMZVMSM-CYBMUJFWSA-N 0 0 336.388 3.025 40 5 EGBBRN COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000013667873 211601165 /nfs/dbraw/zinc/60/11/65/211601165.db2.gz DFNNMIRZZXBFQA-UHFFFAOYSA-N 0 0 328.368 3.274 40 5 EGBBRN O=c1cc(Cl)c2c(=O)oc3c(cc4c5c3CCCN5CCC4)c2o1 ZINC000000863124 285217909 /nfs/dbraw/zinc/21/79/09/285217909.db2.gz SMSJPJONRDEGDW-UHFFFAOYSA-N 0 0 343.766 3.252 40 5 EGBBRN NC(=O)/C=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000352064149 258003625 /nfs/dbraw/zinc/00/36/25/258003625.db2.gz MOKLDMMDWWQYRS-UTCJRWHESA-N 0 0 337.129 3.116 40 5 EGBBRN O=Cc1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cn12 ZINC000004241981 275031652 /nfs/dbraw/zinc/03/16/52/275031652.db2.gz BQSFFBMOJJJRQU-UHFFFAOYSA-N 0 0 346.140 3.485 40 5 EGBBRN Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000000060086 280801104 /nfs/dbraw/zinc/80/11/04/280801104.db2.gz AEGBBRFGKNSILT-RIYZIHGNSA-N 0 0 326.283 3.387 40 5 EGBBRN CS(=O)(=O)c1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000097238498 323215751 /nfs/dbraw/zinc/21/57/51/323215751.db2.gz CFNIVSFHIMBGFC-UHFFFAOYSA-N 0 0 340.788 3.264 40 5 EGBBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000006205981 452925556 /nfs/dbraw/zinc/92/55/56/452925556.db2.gz CBUIBZMHMWJDMW-AWEZNQCLSA-N 0 0 345.380 3.363 40 5 EGBBRN Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000007357239 453064154 /nfs/dbraw/zinc/06/41/54/453064154.db2.gz XQCGCGKRUROLQJ-UHFFFAOYSA-N 0 0 343.364 3.131 40 5 EGBBRN CC(=O)c1ccc(N(C)CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008052656 453153756 /nfs/dbraw/zinc/15/37/56/453153756.db2.gz QXTDFBINFTXUMS-UHFFFAOYSA-N 0 0 345.330 3.011 40 5 EGBBRN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1 ZINC000012545803 453373032 /nfs/dbraw/zinc/37/30/32/453373032.db2.gz FGDROFSKWKFGSU-UHFFFAOYSA-N 0 0 333.319 3.045 40 5 EGBBRN CCc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000021596433 453679097 /nfs/dbraw/zinc/67/90/97/453679097.db2.gz YGDWIVINQHYHSY-UHFFFAOYSA-N 0 0 347.371 3.423 40 5 EGBBRN Cc1sc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000024448633 453733753 /nfs/dbraw/zinc/73/37/53/453733753.db2.gz WDJPTSAXHPOSKK-UHFFFAOYSA-N 0 0 349.343 3.241 40 5 EGBBRN COc1ccc2c(c1)CCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000024874767 453750307 /nfs/dbraw/zinc/75/03/07/453750307.db2.gz IUPUHIPYWYBMHR-UHFFFAOYSA-N 0 0 326.352 3.125 40 5 EGBBRN Cc1cccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000030528441 453836362 /nfs/dbraw/zinc/83/63/62/453836362.db2.gz JTDOAJDHOFGGDU-UHFFFAOYSA-N 0 0 336.351 3.400 40 5 EGBBRN Cc1ccc(NC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000075499111 453898254 /nfs/dbraw/zinc/89/82/54/453898254.db2.gz QVOWTJHKDZSYTQ-AWEZNQCLSA-N 0 0 341.371 3.017 40 5 EGBBRN Cc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000032936744 453898459 /nfs/dbraw/zinc/89/84/59/453898459.db2.gz QFJHKGAWADQBHI-UHFFFAOYSA-N 0 0 344.751 3.497 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)[C@@H]1CCCOC1 ZINC000087390005 454082070 /nfs/dbraw/zinc/08/20/70/454082070.db2.gz OLLUSGPCZAEIRJ-GFCCVEGCSA-N 0 0 346.305 3.087 40 5 EGBBRN CC(=O)Nc1cccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607603 454116036 /nfs/dbraw/zinc/11/60/36/454116036.db2.gz GMSQQMJWTHOKEB-UHFFFAOYSA-N 0 0 325.368 3.112 40 5 EGBBRN O=C(Cc1ccccc1Cl)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059475107 454260619 /nfs/dbraw/zinc/26/06/19/454260619.db2.gz XITCJPLUGVMHCK-UHFFFAOYSA-N 0 0 333.727 3.217 40 5 EGBBRN COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3nccs3)CCCC2)c1 ZINC000096407346 454325503 /nfs/dbraw/zinc/32/55/03/454325503.db2.gz HQQYPNQLMKMWEA-UHFFFAOYSA-N 0 0 347.396 3.259 40 5 EGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC1(c2nccs2)CCCC1 ZINC000096407331 454325573 /nfs/dbraw/zinc/32/55/73/454325573.db2.gz REZLNGLSHMJTMK-UHFFFAOYSA-N 0 0 347.396 3.016 40 5 EGBBRN COc1cc(NC[C@@H]2CC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000096453768 454357791 /nfs/dbraw/zinc/35/77/91/454357791.db2.gz SMOLBMNRURNTSS-NSHDSACASA-N 0 0 327.340 3.141 40 5 EGBBRN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(N(C)C)c1 ZINC000047547354 454383434 /nfs/dbraw/zinc/38/34/34/454383434.db2.gz LMJPMQIHSFKYCX-UHFFFAOYSA-N 0 0 327.384 3.323 40 5 EGBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 ZINC000225143656 536488104 /nfs/dbraw/zinc/48/81/04/536488104.db2.gz FBTTXLQIROQWQV-UHFFFAOYSA-N 0 0 332.790 3.135 40 5 EGBBRN COc1ccc(NC(=O)CN(C)c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000054273398 214228713 /nfs/dbraw/zinc/22/87/13/214228713.db2.gz FQADPJZRPSULOZ-UHFFFAOYSA-N 0 0 343.383 3.295 40 5 EGBBRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000132288688 530035474 /nfs/dbraw/zinc/03/54/74/530035474.db2.gz OJLFNUPVGZYRFI-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN CCOCc1ccccc1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000040504482 213326260 /nfs/dbraw/zinc/32/62/60/213326260.db2.gz LUDQWUKVXXBFLO-UHFFFAOYSA-N 0 0 344.367 3.070 40 5 EGBBRN C[C@H](NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000038298014 213207248 /nfs/dbraw/zinc/20/72/48/213207248.db2.gz VCKKJKQZHHPPDR-NSHDSACASA-N 0 0 337.335 3.136 40 5 in-vitro EGBBRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000217863224 241278987 /nfs/dbraw/zinc/27/89/87/241278987.db2.gz ZFBDTTVAHPDIGP-OAHLLOKOSA-N 0 0 344.367 3.493 40 5 EGBBRN Cc1cccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000021784995 212249818 /nfs/dbraw/zinc/24/98/18/212249818.db2.gz XVXALMZLFVTMKN-JXMROGBWSA-N 0 0 326.352 3.112 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)Cc1ccccc1 ZINC000225613754 241952437 /nfs/dbraw/zinc/95/24/37/241952437.db2.gz PPQJZMAOBWGJHG-UHFFFAOYSA-N 0 0 348.424 3.203 40 5 EGBBRN CN(CCOc1ccc(Cl)cc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000021673653 212238290 /nfs/dbraw/zinc/23/82/90/212238290.db2.gz CSJZPMPBSDAKJT-UHFFFAOYSA-N 0 0 346.774 3.411 40 5 EGBBRN CCOc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000226273564 242093361 /nfs/dbraw/zinc/09/33/61/242093361.db2.gz KKQSJSMJCHRUTQ-NSHDSACASA-N 0 0 330.340 3.299 40 5 EGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000020493358 212139130 /nfs/dbraw/zinc/13/91/30/212139130.db2.gz HRQRVKXLOPHDRV-UHFFFAOYSA-N 0 0 344.751 3.329 40 5 EGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000020110366 212102165 /nfs/dbraw/zinc/10/21/65/212102165.db2.gz RPGCXANVLLJAII-QGZVFWFLSA-N 0 0 346.408 3.092 40 5 EGBBRN O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000078729768 217110267 /nfs/dbraw/zinc/11/02/67/217110267.db2.gz ZDZNQBLUVIKMNG-MRXNPFEDSA-N 0 0 330.315 3.377 40 5 EGBBRN O=C(NCCOCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000080100714 217279553 /nfs/dbraw/zinc/27/95/53/217279553.db2.gz CWVNARXTYXMRND-UHFFFAOYSA-N 0 0 334.759 3.195 40 5 EGBBRN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)cc1 ZINC000004832119 284435229 /nfs/dbraw/zinc/43/52/29/284435229.db2.gz VCZVHZPWLCAKEQ-UHFFFAOYSA-N 0 0 328.147 3.066 40 5 EGBBRN O=C1N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000009641055 211111298 /nfs/dbraw/zinc/11/12/98/211111298.db2.gz VYUPPHPGZZUIOS-ZDUSSCGKSA-N 0 0 348.156 3.211 40 5 EGBBRN Cc1cc(F)cc(C(=O)NC[C@@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000095411914 218349011 /nfs/dbraw/zinc/34/90/11/218349011.db2.gz QPIMFQYWLZDOFG-GFCCVEGCSA-N 0 0 344.342 3.023 40 5 EGBBRN CN(Cc1c(F)cccc1Cl)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000007986658 210877238 /nfs/dbraw/zinc/87/72/38/210877238.db2.gz PTDYXUPRZPADDS-UHFFFAOYSA-N 0 0 337.738 3.123 40 5 EGBBRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1nc2ccccc2o1 ZINC000096465953 218845390 /nfs/dbraw/zinc/84/53/90/218845390.db2.gz AAFSQCVJJVLTMZ-UHFFFAOYSA-N 0 0 348.318 3.008 40 5 EGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 ZINC000005003696 210359554 /nfs/dbraw/zinc/35/95/54/210359554.db2.gz QVMRXDQRZOAHSI-UHFFFAOYSA-N 0 0 348.358 3.469 40 5 EGBBRN O=[N+]([O-])c1cccc(Oc2ccccc2C(=S)N2CCOCC2)c1 ZINC000408723969 257890880 /nfs/dbraw/zinc/89/08/80/257890880.db2.gz BHDYTRNFPGXBRM-UHFFFAOYSA-N 0 0 344.392 3.395 40 5 EGBBRN CCOC(=O)c1c(O)c2cc([N+](=O)[O-])ccc2nc1C(F)(F)F ZINC000036433515 276296878 /nfs/dbraw/zinc/29/68/78/276296878.db2.gz XXVDXNXGSISTJU-UHFFFAOYSA-N 0 0 330.218 3.044 40 5 EGBBRN Cc1ccccc1NC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000000566895 452624748 /nfs/dbraw/zinc/62/47/48/452624748.db2.gz IKSWJPHKMIMBDO-UHFFFAOYSA-N 0 0 342.351 3.365 40 5 EGBBRN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001644316 452672797 /nfs/dbraw/zinc/67/27/97/452672797.db2.gz VDDTYGFCISFYTI-UHFFFAOYSA-N 0 0 326.761 3.073 40 5 EGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000005111806 452837626 /nfs/dbraw/zinc/83/76/26/452837626.db2.gz FVXGEPMWRJOXIZ-UHFFFAOYSA-N 0 0 348.742 3.352 40 5 EGBBRN CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005462229 452874456 /nfs/dbraw/zinc/87/44/56/452874456.db2.gz DOSVAFALEGTRLQ-UHFFFAOYSA-N 0 0 328.324 3.332 40 5 EGBBRN O=[N+]([O-])c1ncccc1OCc1ccc(Br)cc1F ZINC000007044922 453021554 /nfs/dbraw/zinc/02/15/54/453021554.db2.gz MQFLGGPLONCGSG-UHFFFAOYSA-N 0 0 327.109 3.470 40 5 EGBBRN Cc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000007375119 453066675 /nfs/dbraw/zinc/06/66/75/453066675.db2.gz OLRSKZIDOMAFFQ-CQSZACIVSA-N 0 0 348.424 3.203 40 5 EGBBRN CCCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1CC ZINC000007610248 453094076 /nfs/dbraw/zinc/09/40/76/453094076.db2.gz DZYYZHLKGQLXFK-UHFFFAOYSA-N 0 0 334.401 3.134 40 5 EGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccccn1 ZINC000007699243 453106285 /nfs/dbraw/zinc/10/62/85/453106285.db2.gz SRBZAUYBSXGMPR-SNVBAGLBSA-N 0 0 333.369 3.118 40 5 EGBBRN COc1ccc(CC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000008258203 453181614 /nfs/dbraw/zinc/18/16/14/453181614.db2.gz QRTZGMJOQRODDB-GFCCVEGCSA-N 0 0 345.351 3.459 40 5 EGBBRN Cc1c(NC(=O)CCc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000012771801 453402838 /nfs/dbraw/zinc/40/28/38/453402838.db2.gz LNCLOEULUUQVIM-UHFFFAOYSA-N 0 0 342.351 3.246 40 5 EGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000015836265 453586247 /nfs/dbraw/zinc/58/62/47/453586247.db2.gz MGERQUYMZJELCK-ZDUSSCGKSA-N 0 0 338.410 3.182 40 5 EGBBRN COc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])cc(OC)c1C ZINC000025117084 453758764 /nfs/dbraw/zinc/75/87/64/453758764.db2.gz URTVMNSLRRNJDE-UHFFFAOYSA-N 0 0 331.324 3.277 40 5 EGBBRN C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000030773100 453837912 /nfs/dbraw/zinc/83/79/12/453837912.db2.gz JFPLGRDIAPZRQK-ZETCQYMHSA-N 0 0 338.307 3.099 40 5 EGBBRN CC(C)(C)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000033760759 453917594 /nfs/dbraw/zinc/91/75/94/453917594.db2.gz SLIHVMIWAQXEGY-UHFFFAOYSA-N 0 0 348.424 3.371 40 5 EGBBRN CCOc1cc(-c2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)ccc1OC ZINC000085385023 454025371 /nfs/dbraw/zinc/02/53/71/454025371.db2.gz JLBFWYKEXFMVHU-UHFFFAOYSA-N 0 0 340.339 3.454 40 5 EGBBRN CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(c2ccccc2F)CC1 ZINC000096412003 454328901 /nfs/dbraw/zinc/32/89/01/454328901.db2.gz CWMOLQQMPFQBOM-UHFFFAOYSA-N 0 0 328.343 3.424 40 5 EGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000096432876 454343425 /nfs/dbraw/zinc/34/34/25/454343425.db2.gz FGKXYMSWHKHTLX-QAPCUYQASA-N 0 0 340.379 3.323 40 5 EGBBRN CS[C@H]1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000096462877 454360131 /nfs/dbraw/zinc/36/01/31/454360131.db2.gz QKDPYVAGPGBJNT-GJZGRUSLSA-N 0 0 337.445 3.063 40 5 EGBBRN O=C(c1csc([C@H]2CCCO2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000096484864 454366158 /nfs/dbraw/zinc/36/61/58/454366158.db2.gz FLYRKQWHWDJPNM-CQSZACIVSA-N 0 0 345.380 3.106 40 5 EGBBRN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@H]4C=C[C@H]5[C@H]4[C@H]3[C@@H]52)c([N+](=O)[O-])c1 ZINC000104284876 454580650 /nfs/dbraw/zinc/58/06/50/454580650.db2.gz OGMPPSISWGBKDL-SBKHLRLZSA-N 0 0 328.324 3.086 40 5 EGBBRN Cc1noc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074724898 454625175 /nfs/dbraw/zinc/62/51/75/454625175.db2.gz CMUDGAPYLGSAJM-UHFFFAOYSA-N 0 0 329.234 3.471 40 5 EGBBRN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000191728753 455514655 /nfs/dbraw/zinc/51/46/55/455514655.db2.gz PMUHUQJELKTWJD-CYBMUJFWSA-N 0 0 327.384 3.189 40 5 EGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc3ccccc3c2)c1 ZINC000222772998 456050882 /nfs/dbraw/zinc/05/08/82/456050882.db2.gz GAUDUABWBZUTCU-UHFFFAOYSA-N 0 0 342.376 3.227 40 5 EGBBRN O=C(Nc1cccc(F)c1)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000408529531 457580988 /nfs/dbraw/zinc/58/09/88/457580988.db2.gz HPXHAUZIXXEVQB-UHFFFAOYSA-N 0 0 338.298 3.443 40 5 EGBBRN CC1(C)C[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)N1O ZINC000167107485 1294365664 /nfs/dbraw/zinc/36/56/64/1294365664.db2.gz WYXCUKFSEWVLKA-GFCCVEGCSA-N 0 0 341.319 3.031 40 5 EGBBRN CCCCC[C@@H](C)NC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000199424332 1296088304 /nfs/dbraw/zinc/08/83/04/1296088304.db2.gz MTGTZLLMYDTHRI-CYBMUJFWSA-N 0 0 335.404 3.399 40 5 EGBBRN