smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000451955041 243323128 /nfs/dbraw/zinc/32/31/28/243323128.db2.gz CHEVHJGZTHHBDM-UHFFFAOYSA-N -1 3 339.373 2.322 10 5 EEBEHM Cc1nn(C)c(C(=O)[N-]c2csc(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000342645259 161080333 /nfs/dbraw/zinc/08/03/33/161080333.db2.gz CYBCFBPRHFCGEV-UHFFFAOYSA-N -1 3 344.356 2.408 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C)C1 ZINC000360366137 164293689 /nfs/dbraw/zinc/29/36/89/164293689.db2.gz ZHOIGMXUMHVUOK-GHMZBOCLSA-N -1 3 328.390 2.318 10 5 EEBEHM CCC[C@]1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000285384645 274721949 /nfs/dbraw/zinc/72/19/49/274721949.db2.gz RWMJDSOKIVBUBS-AWEZNQCLSA-N -1 3 328.390 2.141 10 5 EEBEHM O=c1nc(C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)[nH][n-]1 ZINC000288789464 275085583 /nfs/dbraw/zinc/08/55/83/275085583.db2.gz CFJBEPIRWSMWJK-UHFFFAOYSA-N -1 3 337.767 2.039 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000525149880 317039832 /nfs/dbraw/zinc/03/98/32/317039832.db2.gz GIIDAXTVCQLTGA-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000525149880 317039835 /nfs/dbraw/zinc/03/98/35/317039835.db2.gz GIIDAXTVCQLTGA-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOc1ccc(C(=O)[N-]c2nc3ccc(F)cn3n2)cc1[N+](=O)[O-] ZINC000085743749 462557842 /nfs/dbraw/zinc/55/78/42/462557842.db2.gz WLJPYRQTPLNCSY-UHFFFAOYSA-N -1 3 345.290 2.428 10 5 EEBEHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000152883690 462592613 /nfs/dbraw/zinc/59/26/13/462592613.db2.gz LMUIQPFVFGBEJM-ZYHUDNBSSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000569288787 468466929 /nfs/dbraw/zinc/46/69/29/468466929.db2.gz GIGDCLUTGFLJFM-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)cc1C ZINC000323453271 466639010 /nfs/dbraw/zinc/63/90/10/466639010.db2.gz ABDILSWPOQLHKE-STQMWFEESA-N -1 3 342.417 2.041 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cn(C(C)C)nn2)c(C)c([N+](=O)[O-])c1 ZINC000428311224 467220852 /nfs/dbraw/zinc/22/08/52/467220852.db2.gz KIJMLDFOYJLVDD-UHFFFAOYSA-N -1 3 347.331 2.115 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000420720871 467462612 /nfs/dbraw/zinc/46/26/12/467462612.db2.gz HTGKOPZUZFJUAZ-NEPJUHHUSA-N -1 3 328.390 2.139 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000592105846 468626159 /nfs/dbraw/zinc/62/61/59/468626159.db2.gz LDGGZAIALIZGJN-UHFFFAOYSA-N -1 3 346.380 2.410 10 5 EEBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000594785187 468683998 /nfs/dbraw/zinc/68/39/98/468683998.db2.gz JWKJYEBNDLBEEH-JGPRNRPPSA-N -1 3 333.369 2.220 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(C)C)C1CC1 ZINC000595363328 468825738 /nfs/dbraw/zinc/82/57/38/468825738.db2.gz AOJRYLKXKGJDEF-CQSZACIVSA-N -1 3 328.390 2.316 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)nc1 ZINC000593529230 469019441 /nfs/dbraw/zinc/01/94/41/469019441.db2.gz MGBUXRZBNATABO-UHFFFAOYSA-N -1 3 333.369 2.348 10 5 EEBEHM COc1cc(CNc2cnc(OC)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC000598991155 469079345 /nfs/dbraw/zinc/07/93/45/469079345.db2.gz HXCKLIGINOWRKY-UHFFFAOYSA-N -1 3 335.316 2.333 10 5 EEBEHM CCOC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596136524 469171785 /nfs/dbraw/zinc/17/17/85/469171785.db2.gz BBJFVDYKMLFWDW-LBPRGKRZSA-N -1 3 331.328 2.454 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599459996 469266054 /nfs/dbraw/zinc/26/60/54/469266054.db2.gz PERGOVVLJSFBRC-NMSKTSORSA-N -1 3 348.808 2.338 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000613476801 469719046 /nfs/dbraw/zinc/71/90/46/469719046.db2.gz SFIGTKNKLMIWOF-VIFPVBQESA-N -1 3 341.414 2.442 10 5 EEBEHM Cc1nc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)nn1C ZINC001274201038 1204454999 /nfs/dbraw/zinc/45/49/99/1204454999.db2.gz GSJJXOQPYYOBOI-UHFFFAOYSA-N -1 3 340.137 2.047 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[n-]n1 ZINC001295912770 1329853211 /nfs/dbraw/zinc/85/32/11/1329853211.db2.gz LIFIVFYFWMFHIX-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n[n-]1 ZINC001295912770 1329853213 /nfs/dbraw/zinc/85/32/13/1329853213.db2.gz LIFIVFYFWMFHIX-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(C)n1 ZINC001324564881 1333711329 /nfs/dbraw/zinc/71/13/29/1333711329.db2.gz WGCSVWDKEVARPV-UHFFFAOYSA-N -1 3 335.385 2.446 10 5 EEBEHM Cc1cc([C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001558568703 1342482900 /nfs/dbraw/zinc/48/29/00/1342482900.db2.gz CVLNMHTYSYUNDW-GFCCVEGCSA-N -1 3 331.332 2.094 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOc2cc(F)c(F)cc21 ZINC001644297123 1352760580 /nfs/dbraw/zinc/76/05/80/1352760580.db2.gz XLIOBSAASGGIOB-UHFFFAOYSA-N -1 3 337.238 2.013 10 5 EEBEHM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001463774332 1110380487 /nfs/dbraw/zinc/38/04/87/1110380487.db2.gz CKAPRTAIANEXIW-UHFFFAOYSA-N -1 3 325.284 2.338 10 5 EEBEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001521505402 1119256451 /nfs/dbraw/zinc/25/64/51/1119256451.db2.gz KUVAABINTNZSGC-UHFFFAOYSA-N -1 3 348.315 2.278 10 5 EEBEHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cn2ccnn2)o1 ZINC001525548486 1120337640 /nfs/dbraw/zinc/33/76/40/1120337640.db2.gz DNCNQTDGMLQEKS-UHFFFAOYSA-N -1 3 349.253 2.358 10 5 EEBEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000445738026 242130553 /nfs/dbraw/zinc/13/05/53/242130553.db2.gz CYHOIILQWNIURL-OAHLLOKOSA-N -1 3 342.417 2.204 10 5 EEBEHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000126795092 292315662 /nfs/dbraw/zinc/31/56/62/292315662.db2.gz LOTMSIPCEIIBMZ-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188228558 160119552 /nfs/dbraw/zinc/11/95/52/160119552.db2.gz IGEDXMGECLESEC-WDEREUQCSA-N -1 3 347.462 2.055 10 5 EEBEHM CCc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c(C)o1 ZINC000352991236 162378607 /nfs/dbraw/zinc/37/86/07/162378607.db2.gz TVGSFFKJDMNZHH-UHFFFAOYSA-N -1 3 333.300 2.493 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000097163693 463340558 /nfs/dbraw/zinc/34/05/58/463340558.db2.gz GCCXLFYYHLGFKT-SNVBAGLBSA-N -1 3 339.348 2.477 10 5 EEBEHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000041898309 463519247 /nfs/dbraw/zinc/51/92/47/463519247.db2.gz UTUCKYCVVOHHGA-UHFFFAOYSA-N -1 3 333.275 2.476 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(C)C)CN(C)C ZINC000189139107 464442001 /nfs/dbraw/zinc/44/20/01/464442001.db2.gz TZGUFBJRWGJTNS-ZDUSSCGKSA-N -1 3 343.449 2.158 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000338021868 465756005 /nfs/dbraw/zinc/75/60/05/465756005.db2.gz IZMBXFHKHSJGEI-NSHDSACASA-N -1 3 348.446 2.184 10 5 EEBEHM O=C(Nc1cc(-c2ccccc2F)on1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000448488262 467591355 /nfs/dbraw/zinc/59/13/55/467591355.db2.gz AIHTYDNNLIWZEE-UHFFFAOYSA-N -1 3 344.258 2.742 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594488512 468606355 /nfs/dbraw/zinc/60/63/55/468606355.db2.gz SIKJTPFYQSMUPG-AAEUAGOBSA-N -1 3 328.390 2.221 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2CCC(O)CC2)c1[N+](=O)[O-] ZINC000595352975 468822556 /nfs/dbraw/zinc/82/25/56/468822556.db2.gz NVZQUXZUYSKHBJ-UHFFFAOYSA-N -1 3 342.417 2.041 10 5 EEBEHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCC2 ZINC000593285901 468928573 /nfs/dbraw/zinc/92/85/73/468928573.db2.gz WFKMSCIVLNGIJF-UHFFFAOYSA-N -1 3 349.368 2.375 10 5 EEBEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001649087702 1193511162 /nfs/dbraw/zinc/51/11/62/1193511162.db2.gz PLSCWIRGSDIRNO-LLVKDONJSA-N -1 3 344.371 2.251 10 5 EEBEHM COC(=O)c1cnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC001124687816 1310934354 /nfs/dbraw/zinc/93/43/54/1310934354.db2.gz LVVRAOOOGSOCRM-UHFFFAOYSA-N -1 3 325.277 2.229 10 5 EEBEHM Cc1cncc(Br)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001278789477 1318086365 /nfs/dbraw/zinc/08/63/65/1318086365.db2.gz BPFAROTVNYWMMH-UHFFFAOYSA-N -1 3 326.106 2.328 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC001298823572 1330125347 /nfs/dbraw/zinc/12/53/47/1330125347.db2.gz GBQHEJBUWPSCGW-UHFFFAOYSA-N -1 3 333.300 2.361 10 5 EEBEHM COc1cc([N+](=O)[O-])cnc1NC(=O)c1cnc2ccccc2c1[O-] ZINC001597919805 1349933458 /nfs/dbraw/zinc/93/34/58/1349933458.db2.gz OBHVLCDIWPZIBL-UHFFFAOYSA-N -1 3 340.295 2.092 10 5 EEBEHM Cc1[n-][nH]c(=O)c1CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001655149243 1354166411 /nfs/dbraw/zinc/16/64/11/1354166411.db2.gz BLVOVQYRKPLHDV-SECBINFHSA-N -1 3 347.762 2.142 10 5 EEBEHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OC1CCOCC1 ZINC000907478512 784650800 /nfs/dbraw/zinc/65/08/00/784650800.db2.gz YRNNEINQPLYNHO-UHFFFAOYSA-N -1 3 328.752 2.408 10 5 EEBEHM O=C(NCCN1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001441347462 1094857338 /nfs/dbraw/zinc/85/73/38/1094857338.db2.gz LFFXVOISNVKZFL-UHFFFAOYSA-N -1 3 327.768 2.170 10 5 EEBEHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1 ZINC001472091134 1110542147 /nfs/dbraw/zinc/54/21/47/1110542147.db2.gz PBTAAAXHGZTQFL-UHFFFAOYSA-N -1 3 348.315 2.144 10 5 EEBEHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1 ZINC001472091134 1110542148 /nfs/dbraw/zinc/54/21/48/1110542148.db2.gz PBTAAAXHGZTQFL-UHFFFAOYSA-N -1 3 348.315 2.144 10 5 EEBEHM C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001472818236 1110563933 /nfs/dbraw/zinc/56/39/33/1110563933.db2.gz ZRSKIQHNAJXGNK-UWVGGRQHSA-N -1 3 331.332 2.166 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1 ZINC000173216022 152152421 /nfs/dbraw/zinc/15/24/21/152152421.db2.gz KYBVUQRTJXFGLB-JTQLQIEISA-N -1 3 327.387 2.481 10 5 EEBEHM COC1CCC(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000342519685 161071448 /nfs/dbraw/zinc/07/14/48/161071448.db2.gz YMBBRTFDHVGJBU-UHFFFAOYSA-N -1 3 348.446 2.448 10 5 EEBEHM Cc1cc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])on1 ZINC000352642706 162224569 /nfs/dbraw/zinc/22/45/69/162224569.db2.gz CFDNGBWMWNBJEX-UHFFFAOYSA-N -1 3 339.373 2.029 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000292890311 293070109 /nfs/dbraw/zinc/07/01/09/293070109.db2.gz VAAYYBNJGOPNHN-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414449968 313023563 /nfs/dbraw/zinc/02/35/63/313023563.db2.gz DTSSJVNZWWSGND-MRVPVSSYSA-N -1 3 326.296 2.441 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000567778948 319418504 /nfs/dbraw/zinc/41/85/04/319418504.db2.gz TUPVRTLLNGNHIH-UHFFFAOYSA-N -1 3 348.808 2.343 10 5 EEBEHM COC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cn1 ZINC000351785251 465359863 /nfs/dbraw/zinc/35/98/63/465359863.db2.gz WPMJFHGIUYHBIZ-UHFFFAOYSA-N -1 3 333.300 2.103 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000194843443 463942621 /nfs/dbraw/zinc/94/26/21/463942621.db2.gz JHKPHXTYXHHHLA-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000194843443 463942624 /nfs/dbraw/zinc/94/26/24/463942624.db2.gz JHKPHXTYXHHHLA-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000172166160 464006941 /nfs/dbraw/zinc/00/69/41/464006941.db2.gz YFDKWJYYVFGULP-SNVBAGLBSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000295364272 464803001 /nfs/dbraw/zinc/80/30/01/464803001.db2.gz SEFRSJYCQCSRKH-GFCCVEGCSA-N -1 3 348.808 2.402 10 5 EEBEHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000184368683 464971260 /nfs/dbraw/zinc/97/12/60/464971260.db2.gz JQLQWFXJJPHJED-ZDUSSCGKSA-N -1 3 334.353 2.148 10 5 EEBEHM CN(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000348629603 465717367 /nfs/dbraw/zinc/71/73/67/465717367.db2.gz FXFGOZSEZXXAKV-CQSZACIVSA-N -1 3 343.383 2.203 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594475862 468599765 /nfs/dbraw/zinc/59/97/65/468599765.db2.gz YEYAMBJMWGLGFC-DZGCQCFKSA-N -1 3 340.401 2.221 10 5 EEBEHM Cc1ccncc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594819726 468696712 /nfs/dbraw/zinc/69/67/12/468696712.db2.gz VCCYWHLTWCBSKS-UHFFFAOYSA-N -1 3 335.385 2.128 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601383822 468851279 /nfs/dbraw/zinc/85/12/79/468851279.db2.gz QPCBKLYSTAMOHL-DIYOJNKTSA-N -1 3 334.419 2.199 10 5 EEBEHM COCC1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCCC1 ZINC000601461702 468884829 /nfs/dbraw/zinc/88/48/29/468884829.db2.gz LSXLTYLVSLMBFS-UHFFFAOYSA-N -1 3 334.419 2.202 10 5 EEBEHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593563591 469037484 /nfs/dbraw/zinc/03/74/84/469037484.db2.gz CSZOYTYGIJPNLT-UHFFFAOYSA-N -1 3 335.385 2.128 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000610785418 469071227 /nfs/dbraw/zinc/07/12/27/469071227.db2.gz RHZCHNRTJGSFMO-QMMMGPOBSA-N -1 3 336.316 2.070 10 5 EEBEHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611292275 469221063 /nfs/dbraw/zinc/22/10/63/469221063.db2.gz BRIVWCPMUPHKKB-VIFPVBQESA-N -1 3 327.387 2.399 10 5 EEBEHM C[C@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000768846635 577563928 /nfs/dbraw/zinc/56/39/28/577563928.db2.gz MCFGZLJRKNJZDX-SECBINFHSA-N -1 3 327.387 2.133 10 5 EEBEHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OCC1CC1 ZINC000868553485 1201833745 /nfs/dbraw/zinc/83/37/45/1201833745.db2.gz IAOROYMEMGYQBN-UHFFFAOYSA-N -1 3 329.150 2.358 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2F)c(Cl)c1 ZINC000795268499 1212339753 /nfs/dbraw/zinc/33/97/53/1212339753.db2.gz UAMAQHXNVKJOQU-UHFFFAOYSA-N -1 3 345.739 2.261 10 5 EEBEHM Cc1cccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1[N+](=O)[O-] ZINC001304100713 1331377558 /nfs/dbraw/zinc/37/75/58/1331377558.db2.gz FPXSVSHOGAWCRW-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM Cc1cccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1[N+](=O)[O-] ZINC001304100713 1331377564 /nfs/dbraw/zinc/37/75/64/1331377564.db2.gz FPXSVSHOGAWCRW-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001620551350 1352360517 /nfs/dbraw/zinc/36/05/17/1352360517.db2.gz ODFAAWGPZLKAKY-UHFFFAOYSA-N -1 3 342.355 2.492 10 5 EEBEHM O=C(Cc1ccc([O-])c(F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001625256729 1352444326 /nfs/dbraw/zinc/44/43/26/1352444326.db2.gz IRKHODWXQSHNBS-UHFFFAOYSA-N -1 3 346.314 2.272 10 5 EEBEHM COc1ccccc1C[C@](C)(CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001197305060 1126154282 /nfs/dbraw/zinc/15/42/82/1126154282.db2.gz VKIBWTAQCVFXRQ-GOSISDBHSA-N -1 3 346.383 2.392 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471809550 1110531484 /nfs/dbraw/zinc/53/14/84/1110531484.db2.gz FMLCBCHGIYKGRJ-BAQGIRSFSA-N -1 3 340.339 2.297 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC001532644560 1122860220 /nfs/dbraw/zinc/86/02/20/1122860220.db2.gz JROWKBXRHFCCDY-UHFFFAOYSA-N -1 3 331.263 2.375 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCO1 ZINC000420717601 239917704 /nfs/dbraw/zinc/91/77/04/239917704.db2.gz DIUOITRCWIBFCI-QWHCGFSZSA-N -1 3 342.417 2.448 10 5 EEBEHM O=C(Nc1ncc(-c2cccnc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359471090 153385457 /nfs/dbraw/zinc/38/54/57/153385457.db2.gz GRMZVMICVMYJDO-UHFFFAOYSA-N -1 3 343.324 2.466 10 5 EEBEHM CN(C)c1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000345560794 161311607 /nfs/dbraw/zinc/31/16/07/161311607.db2.gz HCMUCJODAWBSKF-UHFFFAOYSA-N -1 3 341.414 2.201 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C(F)(F)F)c2C)n1 ZINC000617403655 449592438 /nfs/dbraw/zinc/59/24/38/449592438.db2.gz IEVGQBZXBPNPPK-UHFFFAOYSA-N -1 3 332.242 2.114 10 5 EEBEHM CCc1onc(C)c1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000175216522 464506391 /nfs/dbraw/zinc/50/63/91/464506391.db2.gz BTKVMDACAUYRAO-UHFFFAOYSA-N -1 3 333.300 2.493 10 5 EEBEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487079655 468021609 /nfs/dbraw/zinc/02/16/09/468021609.db2.gz QGFBMMLQDVOOKB-LLVKDONJSA-N -1 3 338.389 2.159 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601453029 468880576 /nfs/dbraw/zinc/88/05/76/468880576.db2.gz ZHDCEAMCWPUIAX-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CCCC1 ZINC000601468184 468887701 /nfs/dbraw/zinc/88/77/01/468887701.db2.gz KNCQOXKRFMSPDD-LLVKDONJSA-N -1 3 348.446 2.448 10 5 EEBEHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593521658 469014341 /nfs/dbraw/zinc/01/43/41/469014341.db2.gz DHPVBAJNZJNURM-GFCCVEGCSA-N -1 3 335.385 2.289 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC2CCCCCC2)nc1 ZINC000593547864 469028145 /nfs/dbraw/zinc/02/81/45/469028145.db2.gz VVHADYBQCDCCKV-UHFFFAOYSA-N -1 3 343.405 2.008 10 5 EEBEHM COc1ccc(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)nc1 ZINC000596289430 469234402 /nfs/dbraw/zinc/23/44/02/469234402.db2.gz BVNPFDBZVLVUHJ-UHFFFAOYSA-N -1 3 330.344 2.483 10 5 EEBEHM CCOC(=O)c1ncc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)[n-]1 ZINC000619447655 469610106 /nfs/dbraw/zinc/61/01/06/469610106.db2.gz JILXJPDLNRJMLE-UHFFFAOYSA-N -1 3 348.315 2.146 10 5 EEBEHM CCOC(=O)c1nc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c[n-]1 ZINC000619447655 469610111 /nfs/dbraw/zinc/61/01/11/469610111.db2.gz JILXJPDLNRJMLE-UHFFFAOYSA-N -1 3 348.315 2.146 10 5 EEBEHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2C)on1 ZINC000725987054 576172728 /nfs/dbraw/zinc/17/27/28/576172728.db2.gz FCFAJQMZXIYNOD-SNVBAGLBSA-N -1 3 333.300 2.384 10 5 EEBEHM O=[N+]([O-])c1cc(Br)ccc1SCCc1nnn[n-]1 ZINC001163550400 1321154843 /nfs/dbraw/zinc/15/48/43/1321154843.db2.gz AUNRHBRRXNPKRR-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM O=[N+]([O-])c1cc(Br)ccc1SCCc1nn[n-]n1 ZINC001163550400 1321154844 /nfs/dbraw/zinc/15/48/44/1321154844.db2.gz AUNRHBRRXNPKRR-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM CC(C)(C)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001301561314 1331303818 /nfs/dbraw/zinc/30/38/18/1331303818.db2.gz JJTYUWVFHHRYKB-LBPRGKRZSA-N -1 3 346.387 2.134 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cs1 ZINC001350018913 1337666679 /nfs/dbraw/zinc/66/66/79/1337666679.db2.gz RMMQEHFCHOVQKO-BWVDBABLSA-N -1 3 338.357 2.368 10 5 EEBEHM CC(C)(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001631827403 1352590041 /nfs/dbraw/zinc/59/00/41/1352590041.db2.gz XKHCNMRNQXFTCZ-NSHDSACASA-N -1 3 344.371 2.317 10 5 EEBEHM O=c1cc([C@@H]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)[n-][nH]1 ZINC001652003819 1354072923 /nfs/dbraw/zinc/07/29/23/1354072923.db2.gz ALDHROHAGZMOBG-LLVKDONJSA-N -1 3 329.360 2.291 10 5 EEBEHM Cc1ccc([C@@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1[N+](=O)[O-] ZINC001653906181 1354135956 /nfs/dbraw/zinc/13/59/56/1354135956.db2.gz CCHQEUXVJXKMOF-LLVKDONJSA-N -1 3 344.371 2.322 10 5 EEBEHM CN(CCc1nc(-c2ccccc2)no1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001472782288 1110563178 /nfs/dbraw/zinc/56/31/78/1110563178.db2.gz XKKHNDSXHKGPTI-UHFFFAOYSA-N -1 3 341.327 2.424 10 5 EEBEHM O=[N+]([O-])c1ccc(N2CCC(c3nnn[n-]3)CC2)c2ncccc12 ZINC001472856926 1110564584 /nfs/dbraw/zinc/56/45/84/1110564584.db2.gz PZYWHKVMBFWHTC-UHFFFAOYSA-N -1 3 325.332 2.040 10 5 EEBEHM O=[N+]([O-])c1ccc(N2CCC(c3nn[n-]n3)CC2)c2ncccc12 ZINC001472856926 1110564585 /nfs/dbraw/zinc/56/45/85/1110564585.db2.gz PZYWHKVMBFWHTC-UHFFFAOYSA-N -1 3 325.332 2.040 10 5 EEBEHM O=c1[n-]ccc(NCC[C@@H]2CCC3(CCOCC3)CO2)c1[N+](=O)[O-] ZINC001472874842 1110564800 /nfs/dbraw/zinc/56/48/00/1110564800.db2.gz MQROCMWHVUDBSQ-LBPRGKRZSA-N -1 3 337.376 2.473 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000451954390 243322989 /nfs/dbraw/zinc/32/29/89/243322989.db2.gz ATJUWLSFAMXSQD-UHFFFAOYSA-N -1 3 325.346 2.014 10 5 EEBEHM O=[N+]([O-])c1cnc2ccccc2c1NCc1nnc(C(F)(F)F)[n-]1 ZINC000487745013 245609989 /nfs/dbraw/zinc/60/99/89/245609989.db2.gz ZENVEHOGJHWOOC-UHFFFAOYSA-N -1 3 338.249 2.314 10 5 EEBEHM O=[N+]([O-])c1cnc2ccccc2c1NCc1n[n-]c(C(F)(F)F)n1 ZINC000487745013 245609993 /nfs/dbraw/zinc/60/99/93/245609993.db2.gz ZENVEHOGJHWOOC-UHFFFAOYSA-N -1 3 338.249 2.314 10 5 EEBEHM O=[N+]([O-])c1cnc2ccccc2c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000487745013 245609997 /nfs/dbraw/zinc/60/99/97/245609997.db2.gz ZENVEHOGJHWOOC-UHFFFAOYSA-N -1 3 338.249 2.314 10 5 EEBEHM CC(C)(C)C1=CCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000354887957 163004905 /nfs/dbraw/zinc/00/49/05/163004905.db2.gz QSUQRFNCVLVSON-UHFFFAOYSA-N -1 3 348.403 2.103 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)C(C)C ZINC000416549141 313254104 /nfs/dbraw/zinc/25/41/04/313254104.db2.gz OHNJYTBOMILOOQ-KGLIPLIRSA-N -1 3 328.390 2.316 10 5 EEBEHM CCOc1cc(CN2C[C@H](OC)C[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000574697516 320048827 /nfs/dbraw/zinc/04/88/27/320048827.db2.gz SWYAGKPKKHTHHI-CHWSQXEVSA-N -1 3 338.360 2.058 10 5 EEBEHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ncccc1F ZINC000095994103 463132307 /nfs/dbraw/zinc/13/23/07/463132307.db2.gz NTWTXGCGIMMXSB-UHFFFAOYSA-N -1 3 325.321 2.113 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000097115472 463330746 /nfs/dbraw/zinc/33/07/46/463330746.db2.gz LSXHQMBRMRCORN-UHFFFAOYSA-N -1 3 341.414 2.233 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000193982826 463768174 /nfs/dbraw/zinc/76/81/74/463768174.db2.gz DUMNSVYANUDYKI-LBPRGKRZSA-N -1 3 348.380 2.222 10 5 EEBEHM CCc1cnc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC000284975576 464412575 /nfs/dbraw/zinc/41/25/75/464412575.db2.gz ADDQTWRRFSXLCD-UHFFFAOYSA-N -1 3 331.300 2.132 10 5 EEBEHM CCc1c[n-]c(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000284975576 464412581 /nfs/dbraw/zinc/41/25/81/464412581.db2.gz ADDQTWRRFSXLCD-UHFFFAOYSA-N -1 3 331.300 2.132 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)c1 ZINC000182525206 464674938 /nfs/dbraw/zinc/67/49/38/464674938.db2.gz PVQODEVXMQPZQX-MWLCHTKSSA-N -1 3 348.808 2.402 10 5 EEBEHM COc1cc(CNCc2ccc3cc[nH]c3n2)c([N+](=O)[O-])cc1[O-] ZINC000353218634 465724199 /nfs/dbraw/zinc/72/41/99/465724199.db2.gz KWICYKSCYZNZCD-UHFFFAOYSA-N -1 3 328.328 2.475 10 5 EEBEHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000338421691 466113110 /nfs/dbraw/zinc/11/31/10/466113110.db2.gz JJRFHPKXUMWXMD-JTQLQIEISA-N -1 3 336.822 2.421 10 5 EEBEHM CN(C)C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488908827 468111431 /nfs/dbraw/zinc/11/14/31/468111431.db2.gz LDWLYCSLDMWIST-CQSZACIVSA-N -1 3 347.346 2.472 10 5 EEBEHM COc1cc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000582551928 468557683 /nfs/dbraw/zinc/55/76/83/468557683.db2.gz SBHOCLLKIXXDHK-ZDUSSCGKSA-N -1 3 338.360 2.059 10 5 EEBEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594828306 468698763 /nfs/dbraw/zinc/69/87/63/468698763.db2.gz DGLOYTPMULRQMB-CZMCAQCFSA-N -1 3 334.781 2.094 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)c1C ZINC000595392967 468836626 /nfs/dbraw/zinc/83/66/26/468836626.db2.gz RFNYPXNZRRGYAT-GFCCVEGCSA-N -1 3 342.417 2.305 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCCO1 ZINC000601513558 468903147 /nfs/dbraw/zinc/90/31/47/468903147.db2.gz FBFMFERSJFYOBA-UKRRQHHQSA-N -1 3 340.401 2.221 10 5 EEBEHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560635 469035921 /nfs/dbraw/zinc/03/59/21/469035921.db2.gz VSUQFLHJJKPMTD-VXGBXAGGSA-N -1 3 345.446 2.332 10 5 EEBEHM CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593607814 469057857 /nfs/dbraw/zinc/05/78/57/469057857.db2.gz IKIJEJFUOFXBCK-NEPJUHHUSA-N -1 3 327.406 2.483 10 5 EEBEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451693028 534996647 /nfs/dbraw/zinc/99/66/47/534996647.db2.gz GXGXYSOHUXLZIB-NSHDSACASA-N -1 3 334.781 2.094 10 5 EEBEHM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000855329205 1293173713 /nfs/dbraw/zinc/17/37/13/1293173713.db2.gz ZVWVLRRVBQEGOG-GZMMTYOYSA-N -1 3 337.286 2.100 10 5 EEBEHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ncc1Br ZINC000798153094 1304931722 /nfs/dbraw/zinc/93/17/22/1304931722.db2.gz NUYGLMPSSLTUOC-UHFFFAOYSA-N -1 3 339.105 2.105 10 5 EEBEHM CCOc1nnc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[n-]1 ZINC001174746095 797870452 /nfs/dbraw/zinc/87/04/52/797870452.db2.gz ZRBRKPUZLKSMBV-UHFFFAOYSA-N -1 3 345.237 2.383 10 5 EEBEHM CCOc1nc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[n-]1 ZINC001174746095 797870461 /nfs/dbraw/zinc/87/04/61/797870461.db2.gz ZRBRKPUZLKSMBV-UHFFFAOYSA-N -1 3 345.237 2.383 10 5 EEBEHM CCOc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001174746095 797870469 /nfs/dbraw/zinc/87/04/69/797870469.db2.gz ZRBRKPUZLKSMBV-UHFFFAOYSA-N -1 3 345.237 2.383 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(C)nc3s2)n1 ZINC001439439829 1092200900 /nfs/dbraw/zinc/20/09/00/1092200900.db2.gz RTZCUQROLIBBEY-UHFFFAOYSA-N -1 3 332.345 2.377 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1 ZINC001472090353 1110541916 /nfs/dbraw/zinc/54/19/16/1110541916.db2.gz AKCOLTAUUAFDSP-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1 ZINC001472090353 1110541917 /nfs/dbraw/zinc/54/19/17/1110541917.db2.gz AKCOLTAUUAFDSP-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cnc(C2OCCO2)s1 ZINC001526559455 1120542502 /nfs/dbraw/zinc/54/25/02/1120542502.db2.gz SRHYXXDBXSLFIL-UHFFFAOYSA-N -1 3 339.304 2.488 10 5 EEBEHM COc1cc(C(=O)[N-]c2cnsn2)c([N+](=O)[O-])cc1OC(F)F ZINC001539432854 1124057536 /nfs/dbraw/zinc/05/75/36/1124057536.db2.gz RAJAVNHHZFZURF-UHFFFAOYSA-N -1 3 346.271 2.309 10 5 EEBEHM COc1nnc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[n-]1 ZINC000446297693 242177731 /nfs/dbraw/zinc/17/77/31/242177731.db2.gz OIKYWONXSJEBID-UHFFFAOYSA-N -1 3 335.323 2.060 10 5 EEBEHM COc1nc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n[n-]1 ZINC000446297693 242177735 /nfs/dbraw/zinc/17/77/35/242177735.db2.gz OIKYWONXSJEBID-UHFFFAOYSA-N -1 3 335.323 2.060 10 5 EEBEHM COc1n[n-]c(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000446297693 242177737 /nfs/dbraw/zinc/17/77/37/242177737.db2.gz OIKYWONXSJEBID-UHFFFAOYSA-N -1 3 335.323 2.060 10 5 EEBEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969878 315018071 /nfs/dbraw/zinc/01/80/71/315018071.db2.gz ZUUPFOZHUOLRBL-AWEZNQCLSA-N -1 3 343.383 2.203 10 5 EEBEHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000113301112 462587984 /nfs/dbraw/zinc/58/79/84/462587984.db2.gz AQQLASUZHVOVRM-LLVKDONJSA-N -1 3 347.462 2.199 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000132364148 462851712 /nfs/dbraw/zinc/85/17/12/462851712.db2.gz XZTLMHSEDIRLAQ-UHFFFAOYSA-N -1 3 345.377 2.286 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000067877262 463062491 /nfs/dbraw/zinc/06/24/91/463062491.db2.gz ICJFSDMJFHJSNC-KBPBESRZSA-N -1 3 348.380 2.438 10 5 EEBEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594853365 468706463 /nfs/dbraw/zinc/70/64/63/468706463.db2.gz YEGKOEZDZIVVJR-MWLCHTKSSA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594853556 468707260 /nfs/dbraw/zinc/70/72/60/468707260.db2.gz ZUBUYTNORXAGTD-WPRPVWTQSA-N -1 3 334.419 2.201 10 5 EEBEHM CSCCCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601349434 468835093 /nfs/dbraw/zinc/83/50/93/468835093.db2.gz CPVOHXHZBFIHBT-UHFFFAOYSA-N -1 3 336.410 2.464 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)c([N+](=O)[O-])s1 ZINC000601465264 468886016 /nfs/dbraw/zinc/88/60/16/468886016.db2.gz QTCNGBMGLJRTAQ-WCBMZHEXSA-N -1 3 334.419 2.201 10 5 EEBEHM CSCC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593604048 469055079 /nfs/dbraw/zinc/05/50/79/469055079.db2.gz ZDLYIXCRZABXSE-UHFFFAOYSA-N -1 3 345.446 2.190 10 5 EEBEHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447935750 536352049 /nfs/dbraw/zinc/35/20/49/536352049.db2.gz JKZYUFRUOVCHSP-SNVBAGLBSA-N -1 3 347.462 2.055 10 5 EEBEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277485 577870485 /nfs/dbraw/zinc/87/04/85/577870485.db2.gz WMLCYTVCFHJFAF-HTQZYQBOSA-N -1 3 349.206 2.292 10 5 EEBEHM CCn1cc(N(CC(C)C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC001140750767 1314955564 /nfs/dbraw/zinc/95/55/64/1314955564.db2.gz WWXGTIQJWAOFQB-UHFFFAOYSA-N -1 3 333.348 2.215 10 5 EEBEHM COc1ccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1[N+](=O)[O-] ZINC001141302270 1315082698 /nfs/dbraw/zinc/08/26/98/1315082698.db2.gz WWMZQUIGFORZPA-UHFFFAOYSA-N -1 3 342.311 2.367 10 5 EEBEHM Nc1ncc(C(=O)[N-]c2nc(-c3ccccc3)ns2)cc1[N+](=O)[O-] ZINC001648477385 1353430496 /nfs/dbraw/zinc/43/04/96/1353430496.db2.gz MBUQJXBKZXETNO-UHFFFAOYSA-N -1 3 342.340 2.343 10 5 EEBEHM O=c1[n-]ccc(NC[C@@H](c2nnc[nH]2)c2ccccc2)c1[N+](=O)[O-] ZINC001651849204 1354067778 /nfs/dbraw/zinc/06/77/78/1354067778.db2.gz UONGRJSZXFLNPB-LLVKDONJSA-N -1 3 326.316 2.058 10 5 EEBEHM COc1cccc([O-])c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001136202678 785462926 /nfs/dbraw/zinc/46/29/26/785462926.db2.gz ZGKLZSJXAHFCFW-UHFFFAOYSA-N -1 3 331.328 2.151 10 5 EEBEHM CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)SC ZINC000845884721 789974878 /nfs/dbraw/zinc/97/48/78/789974878.db2.gz SWPJJBBROKRPDO-UHFFFAOYSA-N -1 3 333.435 2.190 10 5 EEBEHM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C1CCCC1 ZINC001520685230 1119187049 /nfs/dbraw/zinc/18/70/49/1119187049.db2.gz QOQYNXCDZNZSSS-GFCCVEGCSA-N -1 3 333.388 2.389 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715291 239915152 /nfs/dbraw/zinc/91/51/52/239915152.db2.gz AVCRXDLZQWZEMJ-QWRGUYRKSA-N -1 3 348.808 2.484 10 5 EEBEHM O=C([O-])[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000263082926 152371496 /nfs/dbraw/zinc/37/14/96/152371496.db2.gz XRXMHYPWINIXMP-VXGBXAGGSA-N -1 3 332.278 2.332 10 5 EEBEHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000249051980 160372303 /nfs/dbraw/zinc/37/23/03/160372303.db2.gz IGEDXMGECLESEC-QWRGUYRKSA-N -1 3 347.462 2.055 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC1CC1 ZINC000346032385 161351687 /nfs/dbraw/zinc/35/16/87/161351687.db2.gz XAUYFNSZYHTGDM-JTQLQIEISA-N -1 3 328.390 2.460 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C ZINC000359939051 164200231 /nfs/dbraw/zinc/20/02/31/164200231.db2.gz NAWYYLKBKBLXBY-QWRGUYRKSA-N -1 3 328.390 2.318 10 5 EEBEHM CCc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c([O-])c1 ZINC000436838434 315004661 /nfs/dbraw/zinc/00/46/61/315004661.db2.gz KPBJOCJRABEDJW-UHFFFAOYSA-N -1 3 327.340 2.456 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000030494974 463300213 /nfs/dbraw/zinc/30/02/13/463300213.db2.gz IINXFDYCDQBYDN-UHFFFAOYSA-N -1 3 340.332 2.221 10 5 EEBEHM Cn1ncnc1C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301435181 465963543 /nfs/dbraw/zinc/96/35/43/465963543.db2.gz KCOVIAILQOCEBC-UHFFFAOYSA-N -1 3 346.225 2.262 10 5 EEBEHM O=C(Cn1cc([N-]c2ncc([N+](=O)[O-])cc2F)cn1)NC1CCCC1 ZINC000413095506 467168881 /nfs/dbraw/zinc/16/88/81/467168881.db2.gz SFTJSUWYRXBDDK-UHFFFAOYSA-N -1 3 348.338 2.128 10 5 EEBEHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000436480100 467539732 /nfs/dbraw/zinc/53/97/32/467539732.db2.gz VDUIWEMFIZGRFU-UHFFFAOYSA-N -1 3 329.359 2.175 10 5 EEBEHM CC(C)(C)N1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793961 468688044 /nfs/dbraw/zinc/68/80/44/468688044.db2.gz XLRYZYCVQQGVFN-SNVBAGLBSA-N -1 3 347.462 2.055 10 5 EEBEHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000594865322 468711899 /nfs/dbraw/zinc/71/18/99/468711899.db2.gz WHQDMCYMEPDZOY-AWEZNQCLSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601387881 468854181 /nfs/dbraw/zinc/85/41/81/468854181.db2.gz IGLPVHJCBOHALQ-SNVBAGLBSA-N -1 3 334.419 2.202 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601433398 468871880 /nfs/dbraw/zinc/87/18/80/468871880.db2.gz AMVYPKXOKLXERL-SNVBAGLBSA-N -1 3 348.446 2.448 10 5 EEBEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601500669 468896613 /nfs/dbraw/zinc/89/66/13/468896613.db2.gz ZPVMRQDWEOMKNF-KHQFGBGNSA-N -1 3 334.781 2.092 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(CO)CCC2)c(Cl)c1 ZINC000593664803 469084362 /nfs/dbraw/zinc/08/43/62/469084362.db2.gz UCPOKSTYLWEDSA-UHFFFAOYSA-N -1 3 348.808 2.079 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1C ZINC000599483722 469272352 /nfs/dbraw/zinc/27/23/52/469272352.db2.gz VTQHBJLBINQYPG-TZMCWYRMSA-N -1 3 340.401 2.057 10 5 EEBEHM CC(C)NC(=O)c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776431372 577459795 /nfs/dbraw/zinc/45/97/95/577459795.db2.gz QKZTTXSKQNOMLM-UHFFFAOYSA-N -1 3 344.327 2.086 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](SC)C1 ZINC000742330127 577871153 /nfs/dbraw/zinc/87/11/53/577871153.db2.gz UMFBGWAMHYEXLE-KOLCDFICSA-N -1 3 346.430 2.166 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23CCC[C@H]2OCC3)c(Cl)c1 ZINC000867884925 1201699594 /nfs/dbraw/zinc/69/95/94/1201699594.db2.gz DQTPRNKWFCIOLS-OLZOCXBDSA-N -1 3 346.792 2.238 10 5 EEBEHM CCOc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001639634848 1352700020 /nfs/dbraw/zinc/70/00/20/1352700020.db2.gz GXDMRKCIMYOZEJ-NSHDSACASA-N -1 3 346.343 2.052 10 5 EEBEHM O=C(Nc1cc(Cl)cc2c[nH]nc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648602479 1353435283 /nfs/dbraw/zinc/43/52/83/1353435283.db2.gz YMSHLETWHIONRY-UHFFFAOYSA-N -1 3 333.691 2.477 10 5 EEBEHM Cn1cc(Cl)c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC001543761563 1124134904 /nfs/dbraw/zinc/13/49/04/1124134904.db2.gz OROSKXXAAASALY-UHFFFAOYSA-N -1 3 344.705 2.390 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000451962258 243327266 /nfs/dbraw/zinc/32/72/66/243327266.db2.gz WEAZUELCJPUKAC-UHFFFAOYSA-N -1 3 339.373 2.322 10 5 EEBEHM Cc1cccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000126319807 292309000 /nfs/dbraw/zinc/30/90/00/292309000.db2.gz ZDKNOGZRZVMKPP-UHFFFAOYSA-N -1 3 335.385 2.394 10 5 EEBEHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352506137 162163291 /nfs/dbraw/zinc/16/32/91/162163291.db2.gz DRPGAXWPPFYSCT-UHFFFAOYSA-N -1 3 339.254 2.227 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(C)(C)C)cc1C ZINC000520175515 316842679 /nfs/dbraw/zinc/84/26/79/316842679.db2.gz HBBGSTJYMPYKLA-UHFFFAOYSA-N -1 3 330.406 2.305 10 5 EEBEHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1-c1ccccc1 ZINC000154344194 462757769 /nfs/dbraw/zinc/75/77/69/462757769.db2.gz IFVYPZNMGAFTKM-UHFFFAOYSA-N -1 3 338.327 2.326 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280901672 464270025 /nfs/dbraw/zinc/27/00/25/464270025.db2.gz DWQRLGKSXJTQLI-NSHDSACASA-N -1 3 331.376 2.255 10 5 EEBEHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000451820975 467268960 /nfs/dbraw/zinc/26/89/60/467268960.db2.gz ZWNGSSSGAVLGJZ-GXTWGEPZSA-N -1 3 342.417 2.324 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCO1 ZINC000420715754 467461292 /nfs/dbraw/zinc/46/12/92/467461292.db2.gz BDUMQUFUWVFYLE-CHWSQXEVSA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000601500554 468895586 /nfs/dbraw/zinc/89/55/86/468895586.db2.gz YNLMAYJEEDUFRK-SDDRHHMPSA-N -1 3 328.390 2.056 10 5 EEBEHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593540350 469023848 /nfs/dbraw/zinc/02/38/48/469023848.db2.gz SSFITIHQQNPYBK-UHFFFAOYSA-N -1 3 347.396 2.308 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)nc1 ZINC000593555533 469033220 /nfs/dbraw/zinc/03/32/20/469033220.db2.gz INIGOYRGTVXODZ-GRYCIOLGSA-N -1 3 325.390 2.237 10 5 EEBEHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593561096 469035591 /nfs/dbraw/zinc/03/55/91/469035591.db2.gz JIVLELKXKODWKF-CMPLNLGQSA-N -1 3 345.446 2.332 10 5 EEBEHM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593612284 469058977 /nfs/dbraw/zinc/05/89/77/469058977.db2.gz IGPJWEIKUZGETF-UONOGXRCSA-N -1 3 333.369 2.133 10 5 EEBEHM COC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nc1C1CC1 ZINC000596189117 469193775 /nfs/dbraw/zinc/19/37/75/469193775.db2.gz NZCHPIILRRSTKY-UHFFFAOYSA-N -1 3 344.327 2.367 10 5 EEBEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277487 577870466 /nfs/dbraw/zinc/87/04/66/577870466.db2.gz WMLCYTVCFHJFAF-SFYZADRCSA-N -1 3 349.206 2.292 10 5 EEBEHM C[C@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000866166918 1201452898 /nfs/dbraw/zinc/45/28/98/1201452898.db2.gz PVEQRAVBACSJRN-VIFPVBQESA-N -1 3 340.286 2.177 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl ZINC000856750737 1293620652 /nfs/dbraw/zinc/62/06/52/1293620652.db2.gz SZUXZQBBOOQQPF-MRVPVSSYSA-N -1 3 339.200 2.457 10 5 EEBEHM CCOc1nnc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[n-]1 ZINC001152342176 1316659175 /nfs/dbraw/zinc/65/91/75/1316659175.db2.gz LBMRRJNDJRRLQD-UHFFFAOYSA-N -1 3 343.702 2.085 10 5 EEBEHM CCOc1nc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC001152342176 1316659176 /nfs/dbraw/zinc/65/91/76/1316659176.db2.gz LBMRRJNDJRRLQD-UHFFFAOYSA-N -1 3 343.702 2.085 10 5 EEBEHM CCOc1n[n-]c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC001152342176 1316659178 /nfs/dbraw/zinc/65/91/78/1316659178.db2.gz LBMRRJNDJRRLQD-UHFFFAOYSA-N -1 3 343.702 2.085 10 5 EEBEHM Cc1ccc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2n1 ZINC001156014489 1317830862 /nfs/dbraw/zinc/83/08/62/1317830862.db2.gz NDGAIDHELSCZKE-UHFFFAOYSA-N -1 3 331.313 2.261 10 5 EEBEHM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001156114983 1317882699 /nfs/dbraw/zinc/88/26/99/1317882699.db2.gz VVOAWQULROKPBQ-UHFFFAOYSA-N -1 3 343.274 2.477 10 5 EEBEHM CC(C)(C)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001301561311 1331303717 /nfs/dbraw/zinc/30/37/17/1331303717.db2.gz JJTYUWVFHHRYKB-GFCCVEGCSA-N -1 3 346.387 2.134 10 5 EEBEHM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193882 1338171366 /nfs/dbraw/zinc/17/13/66/1338171366.db2.gz MNVQWARMDGLBHV-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM COC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC001627053323 1352481414 /nfs/dbraw/zinc/48/14/14/1352481414.db2.gz QNMGLLBAKGIEKH-UHFFFAOYSA-N -1 3 331.284 2.043 10 5 EEBEHM CNc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1[N+](=O)[O-] ZINC001628214943 1352525780 /nfs/dbraw/zinc/52/57/80/1352525780.db2.gz HKDAHDPSCPDHBD-UHFFFAOYSA-N -1 3 327.300 2.471 10 5 EEBEHM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001639634822 1352700039 /nfs/dbraw/zinc/70/00/39/1352700039.db2.gz GKGLITUSOGRURR-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM Cc1cnc(N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001642863126 1352738853 /nfs/dbraw/zinc/73/88/53/1352738853.db2.gz UKUZCCWTIXUVPR-WDEREUQCSA-N -1 3 345.359 2.474 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC001443621222 1098117035 /nfs/dbraw/zinc/11/70/35/1098117035.db2.gz SZJMGELKRWKCFI-LBPRGKRZSA-N -1 3 340.339 2.325 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1c(C)c(F)ccc1[N+](=O)[O-])C2 ZINC001454284532 1107001897 /nfs/dbraw/zinc/00/18/97/1107001897.db2.gz GOEWYOCSYRWOBZ-UHFFFAOYSA-N -1 3 332.291 2.002 10 5 EEBEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([N+](=O)[O-])s1 ZINC001454297006 1107013664 /nfs/dbraw/zinc/01/36/64/1107013664.db2.gz NVDQDXLTOSDIKC-UHFFFAOYSA-N -1 3 334.357 2.349 10 5 EEBEHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC001471301411 1110520445 /nfs/dbraw/zinc/52/04/45/1110520445.db2.gz DOUCXQVBVVFXAD-SECBINFHSA-N -1 3 335.345 2.132 10 5 EEBEHM COc1cnc([C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001473863803 1110582764 /nfs/dbraw/zinc/58/27/64/1110582764.db2.gz FLDBBPGGYRDMJF-CQSZACIVSA-N -1 3 344.371 2.479 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001525898938 1120369788 /nfs/dbraw/zinc/36/97/88/1120369788.db2.gz IUJUJPGIVOSAHZ-UHFFFAOYSA-N -1 3 325.668 2.142 10 5 EEBEHM Cc1n[nH]nc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001530332388 1121910603 /nfs/dbraw/zinc/91/06/03/1121910603.db2.gz CANCFJHQTYQPFE-UHFFFAOYSA-N -1 3 332.139 2.098 10 5 EEBEHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccoc2)n1 ZINC000050005949 214041013 /nfs/dbraw/zinc/04/10/13/214041013.db2.gz NLUJNQXSSDJTLC-UHFFFAOYSA-N -1 3 342.315 2.414 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000451958244 243324862 /nfs/dbraw/zinc/32/48/62/243324862.db2.gz KVOCNPRRJOBUBB-UHFFFAOYSA-N -1 3 339.373 2.322 10 5 EEBEHM COc1cc(CNCc2nnc(C(C)(C)C)[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000459704032 245216638 /nfs/dbraw/zinc/21/66/38/245216638.db2.gz LXUGEKVYJBSHOT-UHFFFAOYSA-N -1 3 335.364 2.014 10 5 EEBEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184564321 160011030 /nfs/dbraw/zinc/01/10/30/160011030.db2.gz HBKZKOBNDZRTBL-OAHLLOKOSA-N -1 3 344.433 2.201 10 5 EEBEHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)on1 ZINC000153035251 462607721 /nfs/dbraw/zinc/60/77/21/462607721.db2.gz OVSVLQLDZOWEQJ-NSHDSACASA-N -1 3 330.344 2.277 10 5 EEBEHM Cc1cnc([N-]c2cnn(CC(=O)NC3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000078655951 463136861 /nfs/dbraw/zinc/13/68/61/463136861.db2.gz PTXYCMBCVSDFJL-UHFFFAOYSA-N -1 3 344.375 2.297 10 5 EEBEHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000056147134 463380005 /nfs/dbraw/zinc/38/00/05/463380005.db2.gz MIXORULSAOFOPI-UHFFFAOYSA-N -1 3 337.335 2.409 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000187161697 464102492 /nfs/dbraw/zinc/10/24/92/464102492.db2.gz BXSPOQKAKUSMGO-VIFPVBQESA-N -1 3 334.369 2.313 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000319816599 466600286 /nfs/dbraw/zinc/60/02/86/466600286.db2.gz BXPZVAOLAZQJGJ-ZJUUUORDSA-N -1 3 348.808 2.078 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC1CCC1 ZINC000594857946 468708629 /nfs/dbraw/zinc/70/86/29/468708629.db2.gz QJYLJRRRDAKPDY-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000594860415 468709879 /nfs/dbraw/zinc/70/98/79/468709879.db2.gz CXSSZDZOGBTJFO-CQSZACIVSA-N -1 3 328.390 2.460 10 5 EEBEHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)C ZINC000601401994 468859384 /nfs/dbraw/zinc/85/93/84/468859384.db2.gz ZITJDBZBWKXIMJ-SNVBAGLBSA-N -1 3 336.435 2.304 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601439827 468874349 /nfs/dbraw/zinc/87/43/49/468874349.db2.gz MWXKFRPMQCEBLI-SFGNSQDASA-N -1 3 334.419 2.057 10 5 EEBEHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601440216 468875060 /nfs/dbraw/zinc/87/50/60/468875060.db2.gz SOESXYAJLNEQMF-NOZJJQNGSA-N -1 3 348.446 2.447 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)c([N+](=O)[O-])s1 ZINC000601470038 468887395 /nfs/dbraw/zinc/88/73/95/468887395.db2.gz OXQDATIBJGDTCL-SECBINFHSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)c([N+](=O)[O-])s1 ZINC000601470039 468887797 /nfs/dbraw/zinc/88/77/97/468887797.db2.gz OXQDATIBJGDTCL-VIFPVBQESA-N -1 3 334.419 2.058 10 5 EEBEHM COc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000595528430 468888698 /nfs/dbraw/zinc/88/86/98/468888698.db2.gz SKVAHAPEABWMMB-UHFFFAOYSA-N -1 3 332.360 2.432 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@@H]2C)c1C ZINC000601499699 468895712 /nfs/dbraw/zinc/89/57/12/468895712.db2.gz RDLWGKMIMTZNPX-MVWJERBFSA-N -1 3 328.390 2.056 10 5 EEBEHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593548505 469028768 /nfs/dbraw/zinc/02/87/68/469028768.db2.gz NSRFNKHIYVNCRU-LBPRGKRZSA-N -1 3 335.385 2.380 10 5 EEBEHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560629 469035790 /nfs/dbraw/zinc/03/57/90/469035790.db2.gz VSUQFLHJJKPMTD-NWDGAFQWSA-N -1 3 345.446 2.332 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)nc1 ZINC000593569764 469041057 /nfs/dbraw/zinc/04/10/57/469041057.db2.gz YJUGYNBLWQWLMO-UHFFFAOYSA-N -1 3 347.396 2.291 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc32)nc1 ZINC000593601979 469054154 /nfs/dbraw/zinc/05/41/54/469054154.db2.gz AHHQTIMGNGCYQR-ZDUSSCGKSA-N -1 3 347.396 2.388 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C2CC2)nc1 ZINC000593608846 469057818 /nfs/dbraw/zinc/05/78/18/469057818.db2.gz RKQJVFUTMSNAQM-AAEUAGOBSA-N -1 3 325.390 2.094 10 5 EEBEHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611292274 469220939 /nfs/dbraw/zinc/22/09/39/469220939.db2.gz BRIVWCPMUPHKKB-SECBINFHSA-N -1 3 327.387 2.399 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1C ZINC000599459405 469264857 /nfs/dbraw/zinc/26/48/57/469264857.db2.gz JACCQAUPFIKFER-MNXVOIDGSA-N -1 3 342.417 2.302 10 5 EEBEHM CCC1([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCC1 ZINC000187297931 527802413 /nfs/dbraw/zinc/80/24/13/527802413.db2.gz GRQJBOKJKLBIQL-UHFFFAOYSA-N -1 3 332.353 2.354 10 5 EEBEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000344693649 576355639 /nfs/dbraw/zinc/35/56/39/576355639.db2.gz BGYFCCAERUZPHF-LBPRGKRZSA-N -1 3 333.388 2.247 10 5 EEBEHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccccc1F ZINC000799922033 1305506546 /nfs/dbraw/zinc/50/65/46/1305506546.db2.gz BSOGBCRUNXDMCK-CLFYSBASSA-N -1 3 338.320 2.046 10 5 EEBEHM CCN1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC001156835955 1318235850 /nfs/dbraw/zinc/23/58/50/1318235850.db2.gz FRZQIICDWNQPHQ-LBPRGKRZSA-N -1 3 341.795 2.414 10 5 EEBEHM O=C([N-]c1ccnc(F)c1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001279950722 1324039926 /nfs/dbraw/zinc/03/99/26/1324039926.db2.gz QUNZJPBNHKSVMI-UHFFFAOYSA-N -1 3 346.253 2.101 10 5 EEBEHM O=[N+]([O-])c1ccc(SCCc2nnn[n-]2)c(Br)c1 ZINC001612513459 1352308658 /nfs/dbraw/zinc/30/86/58/1352308658.db2.gz URUKHYFHCXPKAD-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM O=[N+]([O-])c1ccc(SCCc2nn[n-]n2)c(Br)c1 ZINC001612513459 1352308659 /nfs/dbraw/zinc/30/86/59/1352308659.db2.gz URUKHYFHCXPKAD-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001583349745 1344892316 /nfs/dbraw/zinc/89/23/16/1344892316.db2.gz WKCCSYJDCIGEKL-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM COc1cccc([O-])c1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001587373809 1348861467 /nfs/dbraw/zinc/86/14/67/1348861467.db2.gz PVCJRJUUVPPMCC-UHFFFAOYSA-N -1 3 331.328 2.151 10 5 EEBEHM CCN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001628127146 1352522483 /nfs/dbraw/zinc/52/24/83/1352522483.db2.gz XEYUZHNRKFIGAP-UHFFFAOYSA-N -1 3 328.328 2.182 10 5 EEBEHM CN(C[C@H]1CN(c2ccccc2)C(=O)O1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001652189486 1354081109 /nfs/dbraw/zinc/08/11/09/1354081109.db2.gz ZTRXHAISTNBGDE-LBPRGKRZSA-N -1 3 344.327 2.157 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(-c2cnn(C)c2)ns1 ZINC001653218282 1354116492 /nfs/dbraw/zinc/11/64/92/1354116492.db2.gz VPGDSOSYLNCYEG-UHFFFAOYSA-N -1 3 344.356 2.408 10 5 EEBEHM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000921422280 773351409 /nfs/dbraw/zinc/35/14/09/773351409.db2.gz UZGQIJAZCZWOAM-QMMMGPOBSA-N -1 3 336.797 2.340 10 5 EEBEHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1ncccc1[O-] ZINC000792128066 809604056 /nfs/dbraw/zinc/60/40/56/809604056.db2.gz GNJVLXSWSLTULP-UHFFFAOYSA-N -1 3 336.735 2.348 10 5 EEBEHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c([O-])c1 ZINC001466541828 1110438151 /nfs/dbraw/zinc/43/81/51/1110438151.db2.gz IMVIIGFQJBZOTN-UHFFFAOYSA-N -1 3 345.311 2.433 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-])c1cccs1 ZINC000050654445 214064508 /nfs/dbraw/zinc/06/45/08/214064508.db2.gz HVAQSDGBXNQKGU-QMMMGPOBSA-N -1 3 327.387 2.278 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2Cl)OCO3)n1 ZINC000191479628 237258201 /nfs/dbraw/zinc/25/82/01/237258201.db2.gz OMKYKLDFEPVZNY-UHFFFAOYSA-N -1 3 338.707 2.446 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000107704371 159335166 /nfs/dbraw/zinc/33/51/66/159335166.db2.gz PKGIHPLCNDOOFU-UHFFFAOYSA-N -1 3 341.414 2.401 10 5 EEBEHM O=C(c1cccc([O-])c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182466230 159956700 /nfs/dbraw/zinc/95/67/00/159956700.db2.gz IPVCXJPIZAXDQV-LBPRGKRZSA-N -1 3 328.328 2.022 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]CCC2CCCC2)c([N+](=O)[O-])c1 ZINC000192496722 160170876 /nfs/dbraw/zinc/17/08/76/160170876.db2.gz HTZAMZFBVNERKB-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM O=C(Nc1nc(C(F)(F)F)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444854725 315329541 /nfs/dbraw/zinc/32/95/41/315329541.db2.gz WNWQOWFFJYWGEB-UHFFFAOYSA-N -1 3 334.235 2.423 10 5 EEBEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000581948610 324349583 /nfs/dbraw/zinc/34/95/83/324349583.db2.gz SZGFDDSOMJAYMT-GWCFXTLKSA-N -1 3 344.433 2.287 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1=CCCCC1 ZINC000296281131 465141665 /nfs/dbraw/zinc/14/16/65/465141665.db2.gz RBJPPUYJJUDWPQ-UHFFFAOYSA-N -1 3 326.374 2.382 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000030494868 463300437 /nfs/dbraw/zinc/30/04/37/463300437.db2.gz CPOZQIKSSKTELF-UHFFFAOYSA-N -1 3 328.371 2.143 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000356515547 465430374 /nfs/dbraw/zinc/43/03/74/465430374.db2.gz LOUXMYFIXWSBPO-UHFFFAOYSA-N -1 3 340.332 2.221 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000594852296 468705400 /nfs/dbraw/zinc/70/54/00/468705400.db2.gz JNNMIRAPWJKVOD-GMXVVIOVSA-N -1 3 340.401 2.318 10 5 EEBEHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601431208 468869698 /nfs/dbraw/zinc/86/96/98/468869698.db2.gz HWTAKMZESOPJBC-KCJUWKMLSA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000593536648 469023179 /nfs/dbraw/zinc/02/31/79/469023179.db2.gz GGNUMAGCPRTIMR-UHFFFAOYSA-N -1 3 335.385 2.128 10 5 EEBEHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000596287236 469233417 /nfs/dbraw/zinc/23/34/17/469233417.db2.gz YWBXEICMIRWBTO-WDEREUQCSA-N -1 3 337.376 2.500 10 5 EEBEHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000612667983 469520824 /nfs/dbraw/zinc/52/08/24/469520824.db2.gz CYQXTVQZRNFUGW-UHFFFAOYSA-N -1 3 330.749 2.461 10 5 EEBEHM COC(=O)c1c(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000549075838 490624054 /nfs/dbraw/zinc/62/40/54/490624054.db2.gz CDMHFDOJNPOAAM-UHFFFAOYSA-N -1 3 337.238 2.307 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]Cc2ccno2)c1 ZINC000758535900 577626493 /nfs/dbraw/zinc/62/64/93/577626493.db2.gz AMKZXSUSWKNOKK-UHFFFAOYSA-N -1 3 331.737 2.023 10 5 EEBEHM CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158087884 678182218 /nfs/dbraw/zinc/18/22/18/678182218.db2.gz BUYLPXVSRHROEJ-UHFFFAOYSA-N -1 3 337.195 2.292 10 5 EEBEHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001275482849 1205380031 /nfs/dbraw/zinc/38/00/31/1205380031.db2.gz CGPPEABZWWXRBG-UHFFFAOYSA-N -1 3 342.290 2.095 10 5 EEBEHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001275482849 1205380033 /nfs/dbraw/zinc/38/00/33/1205380033.db2.gz CGPPEABZWWXRBG-UHFFFAOYSA-N -1 3 342.290 2.095 10 5 EEBEHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853653199 1292431469 /nfs/dbraw/zinc/43/14/69/1292431469.db2.gz AVPUZOWYQRTVRL-IUCAKERBSA-N -1 3 326.353 2.409 10 5 EEBEHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1[N+](=O)[O-] ZINC001560119658 1342507589 /nfs/dbraw/zinc/50/75/89/1342507589.db2.gz NCALYKWWOBANLA-SNVBAGLBSA-N -1 3 330.344 2.014 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2cccc(F)c2[N+](=O)[O-])n1 ZINC001631791379 1352589329 /nfs/dbraw/zinc/58/93/29/1352589329.db2.gz BDHXVFWFQJPAPF-UHFFFAOYSA-N -1 3 348.334 2.132 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)n1 ZINC001652225590 1354082424 /nfs/dbraw/zinc/08/24/24/1354082424.db2.gz OTGVGPZTHUJQTL-JTQLQIEISA-N -1 3 348.338 2.014 10 5 EEBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC001655615005 1354179926 /nfs/dbraw/zinc/17/99/26/1354179926.db2.gz SADRJFULKQMPCG-ZJUUUORDSA-N -1 3 331.332 2.166 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CSC2(C)C)cc1C ZINC000338433065 208613129 /nfs/dbraw/zinc/61/31/29/208613129.db2.gz RNRZEKZYONMMEG-LBPRGKRZSA-N -1 3 330.431 2.384 10 5 EEBEHM CCC[C@]1([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOC1 ZINC000352311865 153050803 /nfs/dbraw/zinc/05/08/03/153050803.db2.gz ZZRTZAAUMPYSDZ-HNNXBMFYSA-N -1 3 342.417 2.449 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000126202951 292307457 /nfs/dbraw/zinc/30/74/57/292307457.db2.gz JKIJNSUQZVYDFV-UHFFFAOYSA-N -1 3 347.805 2.492 10 5 EEBEHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000129959057 292365661 /nfs/dbraw/zinc/36/56/61/292365661.db2.gz QCEGMRSFFRQSRL-UHFFFAOYSA-N -1 3 346.368 2.258 10 5 EEBEHM Cc1cccc2nc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])[nH]c21 ZINC000129959057 292365662 /nfs/dbraw/zinc/36/56/62/292365662.db2.gz QCEGMRSFFRQSRL-UHFFFAOYSA-N -1 3 346.368 2.258 10 5 EEBEHM COC1CCC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000352862623 162318224 /nfs/dbraw/zinc/31/82/24/162318224.db2.gz PBDBPTQLPYMFSB-UHFFFAOYSA-N -1 3 328.390 2.078 10 5 EEBEHM Cc1[nH]nc(C(=O)[N-]c2ncc(-c3cccnc3)s2)c1[N+](=O)[O-] ZINC000359389925 164125327 /nfs/dbraw/zinc/12/53/27/164125327.db2.gz OCLOEWFYHASTBU-UHFFFAOYSA-N -1 3 330.329 2.397 10 5 EEBEHM CCOc1cc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)ccc1[O-] ZINC000350795799 312345243 /nfs/dbraw/zinc/34/52/43/312345243.db2.gz UKKHRGRWSQATQF-UHFFFAOYSA-N -1 3 331.288 2.150 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000581819570 324322536 /nfs/dbraw/zinc/32/25/36/324322536.db2.gz UZKUCOPIFATATK-UHFFFAOYSA-N -1 3 342.417 2.307 10 5 EEBEHM COc1cc(C)cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000157100588 463098572 /nfs/dbraw/zinc/09/85/72/463098572.db2.gz TUFKBJBLHWGPNO-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000124275953 463403744 /nfs/dbraw/zinc/40/37/44/463403744.db2.gz QSPNVRDRBNFOGI-UHFFFAOYSA-N -1 3 342.398 2.191 10 5 EEBEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000188748195 464359339 /nfs/dbraw/zinc/35/93/39/464359339.db2.gz TUABFUINTRZQRE-SNVBAGLBSA-N -1 3 348.808 2.484 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000295252130 464761620 /nfs/dbraw/zinc/76/16/20/464761620.db2.gz WVNVUUORVGUVMI-UHFFFAOYSA-N -1 3 342.295 2.223 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCO1 ZINC000420720766 467462708 /nfs/dbraw/zinc/46/27/08/467462708.db2.gz HLMNXVTZHHDKLB-OLZOCXBDSA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC000408284673 467540819 /nfs/dbraw/zinc/54/08/19/467540819.db2.gz BYMBXVDKSIBZJI-OUCADQQQSA-N -1 3 340.401 2.139 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000592067839 468611092 /nfs/dbraw/zinc/61/10/92/468611092.db2.gz VIPNPYVKQDSUDW-MRVPVSSYSA-N -1 3 338.332 2.173 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000592067840 468611184 /nfs/dbraw/zinc/61/11/84/468611184.db2.gz VIPNPYVKQDSUDW-QMMMGPOBSA-N -1 3 338.332 2.173 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000594579256 468625869 /nfs/dbraw/zinc/62/58/69/468625869.db2.gz MFJHSTGNBBSZAZ-UHFFFAOYSA-N -1 3 338.332 2.316 10 5 EEBEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594801383 468692040 /nfs/dbraw/zinc/69/20/40/468692040.db2.gz MSPSVHHEKIUWCK-NSHDSACASA-N -1 3 348.446 2.448 10 5 EEBEHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601401480 468858492 /nfs/dbraw/zinc/85/84/92/468858492.db2.gz QONGKXVCYQZQFI-UHFFFAOYSA-N -1 3 348.446 2.448 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)nc1 ZINC000593593063 469050827 /nfs/dbraw/zinc/05/08/27/469050827.db2.gz PYAZUFNAOUBQHJ-UHFFFAOYSA-N -1 3 347.396 2.462 10 5 EEBEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000593625847 469065468 /nfs/dbraw/zinc/06/54/68/469065468.db2.gz BXSYWIKJFUTUAC-GXFFZTMASA-N -1 3 344.433 2.287 10 5 EEBEHM C[C@H]1[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000596221137 469209760 /nfs/dbraw/zinc/20/97/60/469209760.db2.gz VXSWVHWSUFKMSO-FZMZJTMJSA-N -1 3 342.355 2.297 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000599365199 469229672 /nfs/dbraw/zinc/22/96/72/469229672.db2.gz URVQKDQCEGZLHP-ZDUSSCGKSA-N -1 3 342.417 2.307 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[C@@H](SC)C1 ZINC000742330126 577871205 /nfs/dbraw/zinc/87/12/05/577871205.db2.gz UMFBGWAMHYEXLE-GXSJLCMTSA-N -1 3 346.430 2.166 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2ncccc2F)c(C)c([N+](=O)[O-])c1 ZINC001271455923 1186249177 /nfs/dbraw/zinc/24/91/77/1186249177.db2.gz DJIRHPRYZWGPRZ-UHFFFAOYSA-N -1 3 333.275 2.476 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)on1 ZINC001273542654 1279575669 /nfs/dbraw/zinc/57/56/69/1279575669.db2.gz CJSLZBMJOSLXOW-UHFFFAOYSA-N -1 3 341.226 2.100 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001295912507 1329853285 /nfs/dbraw/zinc/85/32/85/1329853285.db2.gz IHZIQLITMQPGNC-VXGBXAGGSA-N -1 3 344.327 2.237 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001295912507 1329853287 /nfs/dbraw/zinc/85/32/87/1329853287.db2.gz IHZIQLITMQPGNC-VXGBXAGGSA-N -1 3 344.327 2.237 10 5 EEBEHM CCc1cc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000848583132 1338724976 /nfs/dbraw/zinc/72/49/76/1338724976.db2.gz OHISSCUJGLHWPA-UHFFFAOYSA-N -1 3 340.286 2.168 10 5 EEBEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc([N+](=O)[O-])ccc1F ZINC001634468952 1352629321 /nfs/dbraw/zinc/62/93/21/1352629321.db2.gz PIIXEYUMPFEJAF-UHFFFAOYSA-N -1 3 346.318 2.427 10 5 EEBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC001651187903 1354042814 /nfs/dbraw/zinc/04/28/14/1354042814.db2.gz YPORWYHPTISKFH-BDAKNGLRSA-N -1 3 349.322 2.305 10 5 EEBEHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC001471301412 1110520365 /nfs/dbraw/zinc/52/03/65/1110520365.db2.gz DOUCXQVBVVFXAD-VIFPVBQESA-N -1 3 335.345 2.132 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC000266208317 248174106 /nfs/dbraw/zinc/17/41/06/248174106.db2.gz PVZFDQLDWSUPKP-JTQLQIEISA-N -1 3 346.405 2.085 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000344956128 161259244 /nfs/dbraw/zinc/25/92/44/161259244.db2.gz GVFIVMGASHHRDC-JTQLQIEISA-N -1 3 346.430 2.025 10 5 EEBEHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ncccc1[O-] ZINC000352518042 162168301 /nfs/dbraw/zinc/16/83/01/162168301.db2.gz UVPYQMIUKLYMFQ-UHFFFAOYSA-N -1 3 326.312 2.036 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000292904218 293073937 /nfs/dbraw/zinc/07/39/37/293073937.db2.gz WIAGLNKAESIATJ-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000182513316 464671938 /nfs/dbraw/zinc/67/19/38/464671938.db2.gz GCNOPKYBEPFUDV-SECBINFHSA-N -1 3 334.781 2.014 10 5 EEBEHM O=[N+]([O-])c1cc2ccccc2nc1[N-]c1cnn(-c2ncccn2)c1 ZINC000352369479 465521172 /nfs/dbraw/zinc/52/11/72/465521172.db2.gz ZDNZAKYKIQGBRE-UHFFFAOYSA-N -1 3 333.311 2.862 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000420720872 467462766 /nfs/dbraw/zinc/46/27/66/467462766.db2.gz HTGKOPZUZFJUAZ-NWDGAFQWSA-N -1 3 328.390 2.139 10 5 EEBEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594480302 468601683 /nfs/dbraw/zinc/60/16/83/468601683.db2.gz PJWKSBVUTPMAKQ-XYPYZODXSA-N -1 3 328.390 2.219 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000599481462 469271434 /nfs/dbraw/zinc/27/14/34/469271434.db2.gz DRVABLXMKBVRRX-JOYOIKCWSA-N -1 3 346.792 2.094 10 5 EEBEHM Cc1cccc(C(=O)[N-]c2nc(-c3cnn(C)c3)ns2)c1[N+](=O)[O-] ZINC001289590589 1328033931 /nfs/dbraw/zinc/03/39/31/1328033931.db2.gz LGLMIMDZBBOBOU-UHFFFAOYSA-N -1 3 344.356 2.408 10 5 EEBEHM O=C([N-]c1cnsn1)c1c(Br)cccc1[N+](=O)[O-] ZINC001436171594 1342013984 /nfs/dbraw/zinc/01/39/84/1342013984.db2.gz JYFVTIYIERNFJT-UHFFFAOYSA-N -1 3 329.135 2.461 10 5 EEBEHM C[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001628247097 1352527134 /nfs/dbraw/zinc/52/71/34/1352527134.db2.gz VMXSRXYTQXMUII-UWVGGRQHSA-N -1 3 348.334 2.282 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CC2)c([N+](=O)[O-])s1 ZINC000922098413 798912443 /nfs/dbraw/zinc/91/24/43/798912443.db2.gz KGEKKNJZRXSSJW-LLVKDONJSA-N -1 3 346.430 2.345 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000922099834 798917598 /nfs/dbraw/zinc/91/75/98/798917598.db2.gz FIYYGFPQKWTHSC-ZDUSSCGKSA-N -1 3 344.364 2.114 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(NCc2ccc([O-])c(Br)c2)n1 ZINC001458264827 1109850496 /nfs/dbraw/zinc/85/04/96/1109850496.db2.gz USHDETAURZJULR-UHFFFAOYSA-N -1 3 327.138 2.409 10 5 EEBEHM O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2nc3c([n-]2)CCC3)c(F)c1 ZINC000427077400 241371657 /nfs/dbraw/zinc/37/16/57/241371657.db2.gz OLQZAPQPXAFBAO-UHFFFAOYSA-N -1 3 343.311 2.059 10 5 EEBEHM CCC[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCOC1 ZINC000352344902 162096819 /nfs/dbraw/zinc/09/68/19/162096819.db2.gz HLTZFHDJEUPOIS-LBPRGKRZSA-N -1 3 334.419 2.202 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc([N+](=O)[O-])c1 ZINC000119466396 280366103 /nfs/dbraw/zinc/36/61/03/280366103.db2.gz UWGQJIBIVSBBLY-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc([N+](=O)[O-])c1 ZINC000119466396 280366106 /nfs/dbraw/zinc/36/61/06/280366106.db2.gz UWGQJIBIVSBBLY-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000569709877 319601697 /nfs/dbraw/zinc/60/16/97/319601697.db2.gz ILEKDTAUHXPCPK-LURJTMIESA-N -1 3 333.416 2.461 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccnc3)cs2)n1 ZINC000347754000 465208181 /nfs/dbraw/zinc/20/81/81/465208181.db2.gz IUNNWWSEWJYDON-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000132204230 462845864 /nfs/dbraw/zinc/84/58/64/462845864.db2.gz LHJODQWTUNMNRK-HNNXBMFYSA-N -1 3 343.383 2.203 10 5 EEBEHM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1noc(-c2ccccc2[O-])n1 ZINC000158783182 463252618 /nfs/dbraw/zinc/25/26/18/463252618.db2.gz XEFXLGVFJQOXFR-UHFFFAOYSA-N -1 3 348.702 2.214 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000030496115 463300543 /nfs/dbraw/zinc/30/05/43/463300543.db2.gz DGKBEKDZRXXHAT-UHFFFAOYSA-N -1 3 342.398 2.186 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cscn2)cc1C ZINC000125779042 463577537 /nfs/dbraw/zinc/57/75/37/463577537.db2.gz IDINQLOCTLKQPK-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000180595319 464345193 /nfs/dbraw/zinc/34/51/93/464345193.db2.gz RQQMXSUHRSIKJT-UHFFFAOYSA-N -1 3 341.776 2.430 10 5 EEBEHM Cc1cccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000189869038 464557981 /nfs/dbraw/zinc/55/79/81/464557981.db2.gz UVNIADBZGWZNMN-UHFFFAOYSA-N -1 3 335.385 2.394 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1 ZINC000272457226 464618599 /nfs/dbraw/zinc/61/85/99/464618599.db2.gz KVKBMCDDYOCJIJ-JTQLQIEISA-N -1 3 348.808 2.404 10 5 EEBEHM CCCN(C)CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000595381064 468832344 /nfs/dbraw/zinc/83/23/44/468832344.db2.gz IAFYNMCHGINOTC-UHFFFAOYSA-N -1 3 347.412 2.133 10 5 EEBEHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)(C)C ZINC000601361576 468840100 /nfs/dbraw/zinc/84/01/00/468840100.db2.gz NDYNGIWTTWKMNN-SNVBAGLBSA-N -1 3 336.435 2.304 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000601379067 468849376 /nfs/dbraw/zinc/84/93/76/468849376.db2.gz RWKGDYOKWJVHJY-ZJUUUORDSA-N -1 3 334.419 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])s1 ZINC000601465262 468886006 /nfs/dbraw/zinc/88/60/06/468886006.db2.gz QTCNGBMGLJRTAQ-SCZZXKLOSA-N -1 3 334.419 2.201 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)c([N+](=O)[O-])c1 ZINC000601501428 468896520 /nfs/dbraw/zinc/89/65/20/468896520.db2.gz NTKLGZFXAPHPHK-QMTHXVAHSA-N -1 3 326.374 2.214 10 5 EEBEHM CC[C@H](C(=O)[O-])N(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000593288576 468929178 /nfs/dbraw/zinc/92/91/78/468929178.db2.gz MYPOEGMUBZTLQJ-SECBINFHSA-N -1 3 348.302 2.500 10 5 EEBEHM CCC1(N2CCOCC2)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000599663046 469331344 /nfs/dbraw/zinc/33/13/44/469331344.db2.gz APIJXOSHGKMODW-UHFFFAOYSA-N -1 3 349.431 2.377 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000619478820 469620561 /nfs/dbraw/zinc/62/05/61/469620561.db2.gz XCSDYGCOLGLPBG-CHWSQXEVSA-N -1 3 348.380 2.438 10 5 EEBEHM CC(C)(C)n1cnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000753192119 577783030 /nfs/dbraw/zinc/78/30/30/577783030.db2.gz YQNASQDUDWSKMK-UHFFFAOYSA-N -1 3 347.360 2.198 10 5 EEBEHM COc1cccnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001276099380 1205779471 /nfs/dbraw/zinc/77/94/71/1205779471.db2.gz OFKDZCIZKGSPCB-UHFFFAOYSA-N -1 3 337.282 2.407 10 5 EEBEHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000902554809 1237885312 /nfs/dbraw/zinc/88/53/12/1237885312.db2.gz PIUBYLVIIAEWKC-NTZNESFSSA-N -1 3 342.298 2.349 10 5 EEBEHM O=C(Nc1ccccc1-c1cc[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001300050567 1337977377 /nfs/dbraw/zinc/97/73/77/1337977377.db2.gz XYSMNHLNFOJLIH-UHFFFAOYSA-N -1 3 325.284 2.338 10 5 EEBEHM COc1ccc(CC(=O)[N-]OCCOc2ccccc2)cc1[N+](=O)[O-] ZINC001180649076 800512243 /nfs/dbraw/zinc/51/22/43/800512243.db2.gz OIAIQFXKDUTKIC-UHFFFAOYSA-N -1 3 346.339 2.273 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cc(OC)cnc2F)cc([N+](=O)[O-])c1 ZINC001538672153 1124034596 /nfs/dbraw/zinc/03/45/96/1124034596.db2.gz UWQJCVVIZSTATI-UHFFFAOYSA-N -1 3 349.274 2.176 10 5 EEBEHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](C)C1 ZINC000249756895 160384748 /nfs/dbraw/zinc/38/47/48/160384748.db2.gz DRNNQXWATFGXSJ-GHMZBOCLSA-N -1 3 347.462 2.055 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1nccs1 ZINC000290179850 275186980 /nfs/dbraw/zinc/18/69/80/275186980.db2.gz QTMMWBCYXGFZIG-UHFFFAOYSA-N -1 3 341.414 2.271 10 5 EEBEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436885694 315009534 /nfs/dbraw/zinc/00/95/34/315009534.db2.gz OSPRCXUCSXPCID-AWEZNQCLSA-N -1 3 343.383 2.203 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000525353182 317057525 /nfs/dbraw/zinc/05/75/25/317057525.db2.gz FOTYTAWDGQNCQL-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000525353182 317057528 /nfs/dbraw/zinc/05/75/28/317057528.db2.gz FOTYTAWDGQNCQL-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000351583173 465234835 /nfs/dbraw/zinc/23/48/35/465234835.db2.gz SCLKWXHXQVGTFE-SECBINFHSA-N -1 3 348.427 2.038 10 5 EEBEHM CN(C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000066327314 462875005 /nfs/dbraw/zinc/87/50/05/462875005.db2.gz HWEFSUXTNJRJOI-UHFFFAOYSA-N -1 3 347.462 2.199 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000185137210 463760111 /nfs/dbraw/zinc/76/01/11/463760111.db2.gz DJBZSEZUUGOGON-VIFPVBQESA-N -1 3 334.394 2.216 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)c1C ZINC000188755061 464360887 /nfs/dbraw/zinc/36/08/87/464360887.db2.gz NVHVQVPSLXBOCT-GFCCVEGCSA-N -1 3 342.417 2.448 10 5 EEBEHM CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC000248516615 464760483 /nfs/dbraw/zinc/76/04/83/464760483.db2.gz HCWQYHJPYJEJAT-DOTOQJQBSA-N -1 3 341.367 2.476 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c1C ZINC000295342220 464796081 /nfs/dbraw/zinc/79/60/81/464796081.db2.gz QXBNDBGFUYPUDK-LBPRGKRZSA-N -1 3 328.390 2.057 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715289 467461104 /nfs/dbraw/zinc/46/11/04/467461104.db2.gz AVCRXDLZQWZEMJ-MNOVXSKESA-N -1 3 348.808 2.484 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCO1 ZINC000420717599 467462058 /nfs/dbraw/zinc/46/20/58/467462058.db2.gz DIUOITRCWIBFCI-OLZOCXBDSA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594853553 468707060 /nfs/dbraw/zinc/70/70/60/468707060.db2.gz ZUBUYTNORXAGTD-PSASIEDQSA-N -1 3 334.419 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601371734 468846340 /nfs/dbraw/zinc/84/63/40/468846340.db2.gz PJSGJQFWQVLBFL-MXWKQRLJSA-N -1 3 346.430 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601385193 468852435 /nfs/dbraw/zinc/85/24/35/468852435.db2.gz KHRJKJHEKWBWDI-SCZZXKLOSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601464586 468885940 /nfs/dbraw/zinc/88/59/40/468885940.db2.gz REEOFBMGIXUROJ-JTQLQIEISA-N -1 3 347.462 2.116 10 5 EEBEHM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593540525 469025009 /nfs/dbraw/zinc/02/50/09/469025009.db2.gz ZNNWCWWGQMCLIY-GFCCVEGCSA-N -1 3 335.385 2.462 10 5 EEBEHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593561099 469035936 /nfs/dbraw/zinc/03/59/36/469035936.db2.gz JIVLELKXKODWKF-ZYHUDNBSSA-N -1 3 345.446 2.332 10 5 EEBEHM COc1cc(N(C)C[C@H](C)c2nnn[n-]2)c(Cl)cc1[N+](=O)[O-] ZINC000596194785 469196290 /nfs/dbraw/zinc/19/62/90/469196290.db2.gz QQCUEUNEJYIXQE-ZETCQYMHSA-N -1 3 326.744 2.010 10 5 EEBEHM COc1cc(N(C)C[C@H](C)c2nn[n-]n2)c(Cl)cc1[N+](=O)[O-] ZINC000596194785 469196295 /nfs/dbraw/zinc/19/62/95/469196295.db2.gz QQCUEUNEJYIXQE-ZETCQYMHSA-N -1 3 326.744 2.010 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599459276 469265598 /nfs/dbraw/zinc/26/55/98/469265598.db2.gz GFYWVENIVPNZMB-NMSKTSORSA-N -1 3 348.808 2.338 10 5 EEBEHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2ccc(Cl)o2)cc1 ZINC000603556294 469410728 /nfs/dbraw/zinc/41/07/28/469410728.db2.gz HRFAUOIUMGTIES-UHFFFAOYSA-N -1 3 330.749 2.461 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000067432032 683863569 /nfs/dbraw/zinc/86/35/69/683863569.db2.gz AIGUWLAEONVHRP-UHFFFAOYSA-N -1 3 343.342 2.043 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](O)c2cc(F)ccc21 ZINC000841414517 1187015042 /nfs/dbraw/zinc/01/50/42/1187015042.db2.gz CKHQDUPQIUFWRP-AWEZNQCLSA-N -1 3 347.302 2.309 10 5 EEBEHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001154713657 1317277616 /nfs/dbraw/zinc/27/76/16/1317277616.db2.gz OEKCMAKQQZVHSW-SECBINFHSA-N -1 3 330.344 2.127 10 5 EEBEHM Cc1cc(N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001642862648 1352739048 /nfs/dbraw/zinc/73/90/48/1352739048.db2.gz JBZGAATZEVKKAP-GHMZBOCLSA-N -1 3 345.359 2.474 10 5 EEBEHM Cn1ncc2c1nc(SCCOc1ccc([N+](=O)[O-])cc1)[n-]c2=O ZINC001651283518 1354047484 /nfs/dbraw/zinc/04/74/84/1354047484.db2.gz NDNSIBYCMCDLFM-UHFFFAOYSA-N -1 3 347.356 2.148 10 5 EEBEHM O=C([N-]Cc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)C1(O)CCC1 ZINC000911475800 787468526 /nfs/dbraw/zinc/46/85/26/787468526.db2.gz JQNWHLAMLHCUKI-UHFFFAOYSA-N -1 3 336.241 2.040 10 5 EEBEHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158075254 790164526 /nfs/dbraw/zinc/16/45/26/790164526.db2.gz CHNQYAWRRGELHG-SSDOTTSWSA-N -1 3 337.195 2.434 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CCCCO2)c([N+](=O)[O-])s1 ZINC000921677390 793901469 /nfs/dbraw/zinc/90/14/69/793901469.db2.gz QGXQTFJMXXCTPK-LBPRGKRZSA-N -1 3 334.419 2.202 10 5 EEBEHM NN=c1nc[n-]c(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040656791 213364975 /nfs/dbraw/zinc/36/49/75/213364975.db2.gz LHAIWEYKYGJNEZ-UHFFFAOYSA-N -1 3 330.226 2.313 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCOC2)c1 ZINC000183524855 235125569 /nfs/dbraw/zinc/12/55/69/235125569.db2.gz CDOWHZOEIQTBOB-SNVBAGLBSA-N -1 3 348.808 2.262 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC000266208321 248174056 /nfs/dbraw/zinc/17/40/56/248174056.db2.gz PVZFDQLDWSUPKP-SNVBAGLBSA-N -1 3 346.405 2.085 10 5 EEBEHM COCc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000103202005 159274282 /nfs/dbraw/zinc/27/42/82/159274282.db2.gz FXBJPSYBNRMETO-UHFFFAOYSA-N -1 3 343.299 2.372 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289585971 275130073 /nfs/dbraw/zinc/13/00/73/275130073.db2.gz ZGSBWUSTWGUSKD-RYUDHWBXSA-N -1 3 331.376 2.255 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c1C ZINC000416662832 313289319 /nfs/dbraw/zinc/28/93/19/313289319.db2.gz RJOLRCAPJVMREZ-STQMWFEESA-N -1 3 342.417 2.041 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)cc1C ZINC000158326486 463225893 /nfs/dbraw/zinc/22/58/93/463225893.db2.gz ZWEOXTLPOAHIIO-TZMCWYRMSA-N -1 3 342.417 2.041 10 5 EEBEHM CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000159208085 463274504 /nfs/dbraw/zinc/27/45/04/463274504.db2.gz GQOLXGPHOJWMCM-OAHLLOKOSA-N -1 3 329.356 2.333 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000042996442 463612117 /nfs/dbraw/zinc/61/21/17/463612117.db2.gz OXDJOCVVMOCIQO-UHFFFAOYSA-N -1 3 328.371 2.143 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1CCCC[C@H]1C ZINC000330490724 465679837 /nfs/dbraw/zinc/67/98/37/465679837.db2.gz NYOHXKRBKUKAAW-CYBMUJFWSA-N -1 3 341.433 2.056 10 5 EEBEHM CN(C)Cc1cc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000357048296 465727480 /nfs/dbraw/zinc/72/74/80/465727480.db2.gz GMNYEPTURTZBIM-UHFFFAOYSA-N -1 3 347.346 2.431 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000420711700 467459571 /nfs/dbraw/zinc/45/95/71/467459571.db2.gz ZCZVJRDFIIMHRY-NSHDSACASA-N -1 3 342.442 2.406 10 5 EEBEHM COC1CCC(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601366327 468842850 /nfs/dbraw/zinc/84/28/50/468842850.db2.gz GTWRXFJVMYPMCK-UHFFFAOYSA-N -1 3 348.446 2.448 10 5 EEBEHM Cn1[n-]c([C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])nc1=N ZINC000596252387 469221859 /nfs/dbraw/zinc/22/18/59/469221859.db2.gz KALCZBJQVURDRG-CYBMUJFWSA-N -1 3 339.359 2.026 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000599372244 469233832 /nfs/dbraw/zinc/23/38/32/469233832.db2.gz UZEYRVFJZNDCIC-UTUOFQBUSA-N -1 3 340.401 2.318 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nnc(C3CC3)n2C)c1F ZINC000855251015 1293134127 /nfs/dbraw/zinc/13/41/27/1293134127.db2.gz FJEGQRFPIGKNMM-UHFFFAOYSA-N -1 3 337.286 2.440 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC001166523837 1321734470 /nfs/dbraw/zinc/73/44/70/1321734470.db2.gz BIGZWYRIAVXEIS-UHFFFAOYSA-N -1 3 347.356 2.278 10 5 EEBEHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158075403 790164682 /nfs/dbraw/zinc/16/46/82/790164682.db2.gz CHNQYAWRRGELHG-ZETCQYMHSA-N -1 3 337.195 2.434 10 5 EEBEHM COC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC001442710995 1097080515 /nfs/dbraw/zinc/08/05/15/1097080515.db2.gz SXVOMGXZJQZOHT-UHFFFAOYSA-N -1 3 331.284 2.043 10 5 EEBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c1 ZINC000037981766 213181431 /nfs/dbraw/zinc/18/14/31/213181431.db2.gz QAPACHYVQZVSTI-JTQLQIEISA-N -1 3 334.781 2.096 10 5 EEBEHM NS(=O)(=O)c1ccc(Sc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000050047210 214042568 /nfs/dbraw/zinc/04/25/68/214042568.db2.gz DXHFMDDSDVIEJJ-UHFFFAOYSA-N -1 3 326.355 2.099 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000067877644 159014578 /nfs/dbraw/zinc/01/45/78/159014578.db2.gz HFRFCYRDFXBGCJ-ZIAGYGMSSA-N -1 3 348.380 2.438 10 5 EEBEHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000352860619 162316852 /nfs/dbraw/zinc/31/68/52/162316852.db2.gz BRIJECFZUMLRNO-UHFFFAOYSA-N -1 3 346.368 2.258 10 5 EEBEHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000352860619 162316856 /nfs/dbraw/zinc/31/68/56/162316856.db2.gz BRIJECFZUMLRNO-UHFFFAOYSA-N -1 3 346.368 2.258 10 5 EEBEHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1C1CCCC1 ZINC000277996531 269204910 /nfs/dbraw/zinc/20/49/10/269204910.db2.gz NFDCPZWPAHYXAR-UHFFFAOYSA-N -1 3 330.348 2.452 10 5 EEBEHM CC[C@@H](C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)OC ZINC000289585238 275130023 /nfs/dbraw/zinc/13/00/23/275130023.db2.gz QMRUXMMWRAMIBV-VIFPVBQESA-N -1 3 336.797 2.260 10 5 EEBEHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273118223 280115862 /nfs/dbraw/zinc/11/58/62/280115862.db2.gz HELSWAMHXSDYTF-NXEZZACHSA-N -1 3 344.389 2.094 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414449970 313023706 /nfs/dbraw/zinc/02/37/06/313023706.db2.gz DTSSJVNZWWSGND-QMMMGPOBSA-N -1 3 326.296 2.441 10 5 EEBEHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000075128275 462681515 /nfs/dbraw/zinc/68/15/15/462681515.db2.gz ZIFCCGREOXIOQN-UHFFFAOYSA-N -1 3 342.304 2.124 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cscn2)c1C ZINC000089626627 462700391 /nfs/dbraw/zinc/70/03/91/462700391.db2.gz XKEKVSXVOJKFRS-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000157419604 463129404 /nfs/dbraw/zinc/12/94/04/463129404.db2.gz WHAVHOZPVXQDON-UHFFFAOYSA-N -1 3 340.401 2.462 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)cc1C ZINC000295171421 464732439 /nfs/dbraw/zinc/73/24/39/464732439.db2.gz ANFDMKJJCYLFFS-CYBMUJFWSA-N -1 3 328.390 2.057 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)c1C ZINC000594852489 468705553 /nfs/dbraw/zinc/70/55/53/468705553.db2.gz PZENUYDVTGNUGG-YPMHNXCESA-N -1 3 342.417 2.448 10 5 EEBEHM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(C)C1 ZINC000597944629 468720347 /nfs/dbraw/zinc/72/03/47/468720347.db2.gz CFMCODGMVOZUAW-JTQLQIEISA-N -1 3 327.768 2.120 10 5 EEBEHM CCCN1CCC([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601291825 468813107 /nfs/dbraw/zinc/81/31/07/468813107.db2.gz OGDLIJHQTBMCJY-UHFFFAOYSA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)cc1C ZINC000595392126 468836556 /nfs/dbraw/zinc/83/65/56/468836556.db2.gz KIIBGIMVPOANSW-GFCCVEGCSA-N -1 3 342.417 2.305 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601394443 468857062 /nfs/dbraw/zinc/85/70/62/468857062.db2.gz UBDVTQXMCARQBT-WDEREUQCSA-N -1 3 346.430 2.201 10 5 EEBEHM COc1ccccc1N1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596163443 469182277 /nfs/dbraw/zinc/18/22/77/469182277.db2.gz UOTNESCJBIOWOV-NSHDSACASA-N -1 3 330.344 2.395 10 5 EEBEHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000813499091 1199070442 /nfs/dbraw/zinc/07/04/42/1199070442.db2.gz LPIRWZBZTIAABD-OAHLLOKOSA-N -1 3 325.340 2.451 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCSC2)c([N+](=O)[O-])s1 ZINC000867572981 1201636066 /nfs/dbraw/zinc/63/60/66/1201636066.db2.gz AWHDBWMTKNRRMX-VIFPVBQESA-N -1 3 336.460 2.386 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001164131532 1321299340 /nfs/dbraw/zinc/29/93/40/1321299340.db2.gz UTROJMKXXQXLKQ-CYBMUJFWSA-N -1 3 329.360 2.480 10 5 EEBEHM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC001288087610 1327627695 /nfs/dbraw/zinc/62/76/95/1327627695.db2.gz AOVINOFKLRDVKD-UHFFFAOYSA-N -1 3 346.368 2.405 10 5 EEBEHM O=C(Nc1cc([O-])cc(Br)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001449508936 1104581913 /nfs/dbraw/zinc/58/19/13/1104581913.db2.gz QGVARSVPHVJROL-UHFFFAOYSA-N -1 3 327.094 2.038 10 5 EEBEHM O=C1OCCN1c1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001472662045 1110561876 /nfs/dbraw/zinc/56/18/76/1110561876.db2.gz CPIOMIVFLZOLNO-UHFFFAOYSA-N -1 3 330.300 2.264 10 5 EEBEHM COc1ccc(NC(=O)c2n[n-]c([N+](=O)[O-])c2Br)cc1 ZINC000020249393 212114796 /nfs/dbraw/zinc/11/47/96/212114796.db2.gz UZRWTJBXLAYVIS-UHFFFAOYSA-N -1 3 341.121 2.341 10 5 EEBEHM COc1ccc(NC(=O)c2[n-]nc([N+](=O)[O-])c2Br)cc1 ZINC000020249393 212114797 /nfs/dbraw/zinc/11/47/97/212114797.db2.gz UZRWTJBXLAYVIS-UHFFFAOYSA-N -1 3 341.121 2.341 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000277968943 269201890 /nfs/dbraw/zinc/20/18/90/269201890.db2.gz SNPNLQACELGBTN-KOLCDFICSA-N -1 3 348.808 2.260 10 5 EEBEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121086749 463077485 /nfs/dbraw/zinc/07/74/85/463077485.db2.gz OGXQBOMCJHDTTE-AWEZNQCLSA-N -1 3 330.406 2.060 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(C)C)CN(C)C ZINC000189139130 464441747 /nfs/dbraw/zinc/44/17/47/464441747.db2.gz TZGUFBJRWGJTNS-CYBMUJFWSA-N -1 3 343.449 2.158 10 5 EEBEHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000558425256 468676795 /nfs/dbraw/zinc/67/67/95/468676795.db2.gz VSSFUFTWSZJZSI-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1cscn1 ZINC000594819261 468697032 /nfs/dbraw/zinc/69/70/32/468697032.db2.gz XNIDAECTJXGYBH-QMMMGPOBSA-N -1 3 343.386 2.099 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601391203 468854836 /nfs/dbraw/zinc/85/48/36/468854836.db2.gz MTQDBLUMPQHMRO-ONGXEEELSA-N -1 3 348.446 2.448 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCC1 ZINC000601451287 468879307 /nfs/dbraw/zinc/87/93/07/468879307.db2.gz YHLQVEQCHFZCIC-NWDGAFQWSA-N -1 3 326.374 2.070 10 5 EEBEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601500672 468896711 /nfs/dbraw/zinc/89/67/11/468896711.db2.gz ZPVMRQDWEOMKNF-WEDXCCLWSA-N -1 3 334.781 2.092 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000593556711 469033844 /nfs/dbraw/zinc/03/38/44/469033844.db2.gz MPHMBUZARIWEJV-NEPJUHHUSA-N -1 3 335.385 2.460 10 5 EEBEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000593625848 469065673 /nfs/dbraw/zinc/06/56/73/469065673.db2.gz BXSYWIKJFUTUAC-MFKMUULPSA-N -1 3 344.433 2.287 10 5 EEBEHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000604399084 469475657 /nfs/dbraw/zinc/47/56/57/469475657.db2.gz WRDKAPOLAMAYFR-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853653198 1292431764 /nfs/dbraw/zinc/43/17/64/1292431764.db2.gz AVPUZOWYQRTVRL-DTWKUNHWSA-N -1 3 326.353 2.409 10 5 EEBEHM O=C([N-]c1nocc1C1CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001610990060 1352293010 /nfs/dbraw/zinc/29/30/10/1352293010.db2.gz OHXBPNVJJVZIPW-UHFFFAOYSA-N -1 3 331.284 2.484 10 5 EEBEHM O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1ccc([N+](=O)[O-])[n-]1 ZINC001558818736 1342489332 /nfs/dbraw/zinc/48/93/32/1342489332.db2.gz NFYACVSRMVHEQZ-UHFFFAOYSA-N -1 3 340.221 2.465 10 5 EEBEHM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000921425175 773353417 /nfs/dbraw/zinc/35/34/17/773353417.db2.gz XQOCTHXCJUBGOZ-VIFPVBQESA-N -1 3 334.369 2.134 10 5 EEBEHM CCOC(=O)c1noc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c1C ZINC001536364975 1123697001 /nfs/dbraw/zinc/69/70/01/1123697001.db2.gz ZJHARAAENPKRSU-UHFFFAOYSA-N -1 3 349.299 2.329 10 5 EEBEHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)on1 ZINC000095433788 218376783 /nfs/dbraw/zinc/37/67/83/218376783.db2.gz INXKPOKOESKLNF-UHFFFAOYSA-N -1 3 339.373 2.326 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C ZINC000443247765 315235782 /nfs/dbraw/zinc/23/57/82/315235782.db2.gz LXZHDDHLQFSQDJ-OAHLLOKOSA-N -1 3 344.433 2.369 10 5 EEBEHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000443972683 315267345 /nfs/dbraw/zinc/26/73/45/315267345.db2.gz YJZUOMQFQMLSCT-UHFFFAOYSA-N -1 3 347.462 2.057 10 5 EEBEHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000097163757 463340577 /nfs/dbraw/zinc/34/05/77/463340577.db2.gz MUQWWKCGYVGAJH-UHFFFAOYSA-N -1 3 345.377 2.286 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)cc1C ZINC000188755998 464362441 /nfs/dbraw/zinc/36/24/41/464362441.db2.gz SVSGFWMWFBGSJU-GFCCVEGCSA-N -1 3 342.417 2.448 10 5 EEBEHM COc1nnc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000183004267 464774584 /nfs/dbraw/zinc/77/45/84/464774584.db2.gz JVWWQEZQFAUKSG-UHFFFAOYSA-N -1 3 346.328 2.097 10 5 EEBEHM COc1n[n-]c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000183004267 464774588 /nfs/dbraw/zinc/77/45/88/464774588.db2.gz JVWWQEZQFAUKSG-UHFFFAOYSA-N -1 3 346.328 2.097 10 5 EEBEHM COc1nc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[n-]1 ZINC000183004267 464774593 /nfs/dbraw/zinc/77/45/93/464774593.db2.gz JVWWQEZQFAUKSG-UHFFFAOYSA-N -1 3 346.328 2.097 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000192670391 464972593 /nfs/dbraw/zinc/97/25/93/464972593.db2.gz AARGPFSZWZNAGB-UHFFFAOYSA-N -1 3 342.398 2.186 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c([N+](=O)[O-])c1 ZINC000591584742 468487007 /nfs/dbraw/zinc/48/70/07/468487007.db2.gz XPUNSOKLRURUGG-UHFFFAOYSA-N -1 3 346.748 2.328 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])s1 ZINC000601465261 468886103 /nfs/dbraw/zinc/88/61/03/468886103.db2.gz QTCNGBMGLJRTAQ-PSASIEDQSA-N -1 3 334.419 2.201 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCC12CC2 ZINC000601481142 468890998 /nfs/dbraw/zinc/89/09/98/468890998.db2.gz RZGGBPNPAVMCIM-LBPRGKRZSA-N -1 3 326.374 2.214 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@H]2C)c1C ZINC000601499701 468895906 /nfs/dbraw/zinc/89/59/06/468895906.db2.gz RDLWGKMIMTZNPX-ZMLRMANQSA-N -1 3 328.390 2.056 10 5 EEBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000778963158 1208422035 /nfs/dbraw/zinc/42/20/35/1208422035.db2.gz VKVOTCNXSHJLCN-FPLPWBNLSA-N -1 3 330.300 2.146 10 5 EEBEHM O=c1[n-]ccc(N2CCC[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000853581607 1292420602 /nfs/dbraw/zinc/42/06/02/1292420602.db2.gz WJYSVMFUUTZKLP-QGZVFWFLSA-N -1 3 329.356 2.226 10 5 EEBEHM CCC(F)(F)C(=O)[N-][C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000863298878 1296206804 /nfs/dbraw/zinc/20/68/04/1296206804.db2.gz AOJPRAXSOWUUAD-CYBMUJFWSA-N -1 3 330.287 2.145 10 5 EEBEHM Cc1c(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC001160949394 1320328831 /nfs/dbraw/zinc/32/88/31/1320328831.db2.gz XHPGYYNULXGJCF-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1c(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC001160949394 1320328836 /nfs/dbraw/zinc/32/88/36/1320328836.db2.gz XHPGYYNULXGJCF-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM O=C(Nc1ccc(O)cc1[O-])c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001303183337 1331347877 /nfs/dbraw/zinc/34/78/77/1331347877.db2.gz STKHOTJQFCFEAD-UHFFFAOYSA-N -1 3 346.295 2.420 10 5 EEBEHM COc1cc(C[NH2+]CCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001320867526 1332968714 /nfs/dbraw/zinc/96/87/14/1332968714.db2.gz ZZHGEJSCTOGXRO-UHFFFAOYSA-N -1 3 326.349 2.290 10 5 EEBEHM C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000848592170 1338726503 /nfs/dbraw/zinc/72/65/03/1338726503.db2.gz RAXDUUGSYKYDAA-SECBINFHSA-N -1 3 340.286 2.177 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001631792171 1352589523 /nfs/dbraw/zinc/58/95/23/1352589523.db2.gz VEQOEXWNONXQON-RMKNXTFCSA-N -1 3 342.355 2.464 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000069901057 778126916 /nfs/dbraw/zinc/12/69/16/778126916.db2.gz GJMKVWHKUFPXCU-UHFFFAOYSA-N -1 3 343.748 2.453 10 5 EEBEHM CCCCc1nnc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001136358523 785993446 /nfs/dbraw/zinc/99/34/46/785993446.db2.gz USUSFOFHXSNCMM-UHFFFAOYSA-N -1 3 330.757 2.418 10 5 EEBEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001452738545 1105668236 /nfs/dbraw/zinc/66/82/36/1105668236.db2.gz PYAQVIREBQRDGF-UHFFFAOYSA-N -1 3 340.698 2.121 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471809551 1110531665 /nfs/dbraw/zinc/53/16/65/1110531665.db2.gz FMLCBCHGIYKGRJ-FPYGCLRLSA-N -1 3 340.339 2.297 10 5 EEBEHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC001536163123 1123657380 /nfs/dbraw/zinc/65/73/80/1123657380.db2.gz NPPDTIGFEHYSTG-UHFFFAOYSA-N -1 3 341.283 2.301 10 5 EEBEHM Cc1cccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000119793992 292248587 /nfs/dbraw/zinc/24/85/87/292248587.db2.gz KGSMITPSEQZZBI-UHFFFAOYSA-N -1 3 335.385 2.394 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2=CCCOC2)c1 ZINC000287606126 274975809 /nfs/dbraw/zinc/97/58/09/274975809.db2.gz ZCTDXXAOBCVKRS-UHFFFAOYSA-N -1 3 346.792 2.182 10 5 EEBEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000289416509 275114710 /nfs/dbraw/zinc/11/47/10/275114710.db2.gz BLVUUFJFKYANLW-RKDXNWHRSA-N -1 3 336.797 2.258 10 5 EEBEHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCCCC(=O)OC ZINC000289734050 275143935 /nfs/dbraw/zinc/14/39/35/275143935.db2.gz JDAIZFZZXZZUBO-UHFFFAOYSA-N -1 3 325.321 2.164 10 5 EEBEHM Cc1ccc2c(n1)OCCN2C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000181605024 281137995 /nfs/dbraw/zinc/13/79/95/281137995.db2.gz ANNQRXCRDSLESQ-UHFFFAOYSA-N -1 3 339.311 2.214 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000295238582 293658158 /nfs/dbraw/zinc/65/81/58/293658158.db2.gz JFZOBVLEVHJUPL-LLVKDONJSA-N -1 3 328.390 2.057 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1ccccc1SCC(N)=O ZINC000339181996 465128762 /nfs/dbraw/zinc/12/87/62/465128762.db2.gz UJGQXPMVPURSPO-UHFFFAOYSA-N -1 3 346.368 2.128 10 5 EEBEHM COc1ccc(C)cc1CCNC(=O)c1cc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC000339239354 465159002 /nfs/dbraw/zinc/15/90/02/465159002.db2.gz YRGIMLYQJUYYOH-UHFFFAOYSA-N -1 3 345.355 2.293 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000067877451 463062543 /nfs/dbraw/zinc/06/25/43/463062543.db2.gz OLSZKJYTQAHXLR-ZIAGYGMSSA-N -1 3 348.380 2.438 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cccnc1 ZINC000198632321 464092304 /nfs/dbraw/zinc/09/23/04/464092304.db2.gz SJGOTIWUPVJODY-JTQLQIEISA-N -1 3 337.357 2.038 10 5 EEBEHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272404773 464594377 /nfs/dbraw/zinc/59/43/77/464594377.db2.gz NMFKUDWRRADQCP-UHFFFAOYSA-N -1 3 338.345 2.127 10 5 EEBEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000517748743 468096043 /nfs/dbraw/zinc/09/60/43/468096043.db2.gz QUYARPNNRFWTPA-WCBMZHEXSA-N -1 3 336.435 2.040 10 5 EEBEHM CCOc1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])nc1C ZINC000595000236 468741397 /nfs/dbraw/zinc/74/13/97/468741397.db2.gz IEYRRMYJUOSWIH-UHFFFAOYSA-N -1 3 333.344 3.023 10 5 EEBEHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601349501 468835051 /nfs/dbraw/zinc/83/50/51/468835051.db2.gz DDHPEAQWYJEKAV-JTQLQIEISA-N -1 3 336.435 2.448 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000601379065 468849975 /nfs/dbraw/zinc/84/99/75/468849975.db2.gz RWKGDYOKWJVHJY-VHSXEESVSA-N -1 3 334.419 2.201 10 5 EEBEHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601440219 468874825 /nfs/dbraw/zinc/87/48/25/468874825.db2.gz SOESXYAJLNEQMF-ZANVPECISA-N -1 3 348.446 2.447 10 5 EEBEHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593543290 469026002 /nfs/dbraw/zinc/02/60/02/469026002.db2.gz ONAUKUYIBSNOII-CYBMUJFWSA-N -1 3 335.385 2.289 10 5 EEBEHM CC1(C)[C@@H](c2ccccc2)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599375182 469234960 /nfs/dbraw/zinc/23/49/60/469234960.db2.gz MMEMMEVFXOVIHN-GJZGRUSLSA-N -1 3 347.396 2.460 10 5 EEBEHM CC1(C(=O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000599472494 469268271 /nfs/dbraw/zinc/26/82/71/469268271.db2.gz HNJJNRHPLGPABZ-UHFFFAOYSA-N -1 3 344.364 2.162 10 5 EEBEHM C[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000727541733 576435066 /nfs/dbraw/zinc/43/50/66/576435066.db2.gz CMINLJHMIXMHER-NSHDSACASA-N -1 3 344.323 2.335 10 5 EEBEHM CC1CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000751974056 577763625 /nfs/dbraw/zinc/76/36/25/577763625.db2.gz PHCRHSYYVRPLJQ-UHFFFAOYSA-N -1 3 349.206 2.434 10 5 EEBEHM CCc1nn(C)c(NCc2cc(=O)[n-]c(C3CCC3)n2)c1[N+](=O)[O-] ZINC001163831430 1321228668 /nfs/dbraw/zinc/22/86/68/1321228668.db2.gz PVZGOEJQJGGPKN-UHFFFAOYSA-N -1 3 332.364 2.266 10 5 EEBEHM O=c1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)nc[n-]1 ZINC001164302514 1321344065 /nfs/dbraw/zinc/34/40/65/1321344065.db2.gz BCRKZYABBVRNRJ-SECBINFHSA-N -1 3 335.751 2.435 10 5 EEBEHM Cc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001298994643 1330145133 /nfs/dbraw/zinc/14/51/33/1330145133.db2.gz UQXBPTIKVXPTSH-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001298994643 1330145134 /nfs/dbraw/zinc/14/51/34/1330145134.db2.gz UQXBPTIKVXPTSH-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM C[C@@H](CN(C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nnn[n-]1 ZINC001612231007 1352306486 /nfs/dbraw/zinc/30/64/86/1352306486.db2.gz CKDIYAJIHNVHEL-ZETCQYMHSA-N -1 3 330.270 2.367 10 5 EEBEHM C[C@@H](CN(C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nn[n-]n1 ZINC001612231007 1352306488 /nfs/dbraw/zinc/30/64/88/1352306488.db2.gz CKDIYAJIHNVHEL-ZETCQYMHSA-N -1 3 330.270 2.367 10 5 EEBEHM Cc1cc(F)cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1[N+](=O)[O-] ZINC001640594824 1352712118 /nfs/dbraw/zinc/71/21/18/1352712118.db2.gz HTSINGQMXPRADS-VIFPVBQESA-N -1 3 334.307 2.101 10 5 EEBEHM O=c1[n-]ccc(NCc2ncccc2Br)c1[N+](=O)[O-] ZINC001652326784 1354088340 /nfs/dbraw/zinc/08/83/40/1354088340.db2.gz LDKJTXQYLGYDAA-UHFFFAOYSA-N -1 3 325.122 2.465 10 5 EEBEHM O=C(Nc1ccc(O)cc1[O-])c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001471637880 1110526541 /nfs/dbraw/zinc/52/65/41/1110526541.db2.gz JVHFVUGHCMXTPA-UHFFFAOYSA-N -1 3 340.295 2.444 10 5 EEBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC001472818238 1110563928 /nfs/dbraw/zinc/56/39/28/1110563928.db2.gz ZRSKIQHNAJXGNK-ZJUUUORDSA-N -1 3 331.332 2.166 10 5 EEBEHM Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000056120436 214360189 /nfs/dbraw/zinc/36/01/89/214360189.db2.gz NIRCIDMXYFEVEZ-UHFFFAOYSA-N -1 3 341.776 2.430 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccsc2)c(F)c1 ZINC000056042735 214355009 /nfs/dbraw/zinc/35/50/09/214355009.db2.gz GSLWHFLVAMEYDL-UHFFFAOYSA-N -1 3 330.362 2.316 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccn3)cs2)n1 ZINC000352720032 162260325 /nfs/dbraw/zinc/26/03/25/162260325.db2.gz QGSNRCPENFBECN-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000290622485 275223515 /nfs/dbraw/zinc/22/35/15/275223515.db2.gz FUSRAENYFZWCEC-OAHLLOKOSA-N -1 3 325.340 2.451 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000567250169 319364102 /nfs/dbraw/zinc/36/41/02/319364102.db2.gz CNSRIGKZMVOOJZ-MRVPVSSYSA-N -1 3 343.386 2.099 10 5 EEBEHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000339032874 465039794 /nfs/dbraw/zinc/03/97/94/465039794.db2.gz JVHALQOCVPEZRZ-VIFPVBQESA-N -1 3 327.337 2.169 10 5 EEBEHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC(C)CC1 ZINC000130926352 462783690 /nfs/dbraw/zinc/78/36/90/462783690.db2.gz KWPKNRWEWHOYBX-LLVKDONJSA-N -1 3 347.462 2.055 10 5 EEBEHM CCc1noc(C)c1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000132756723 462875895 /nfs/dbraw/zinc/87/58/95/462875895.db2.gz XVPIPXPHYICFLC-UHFFFAOYSA-N -1 3 342.315 2.287 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)ccc1[N+](=O)[O-] ZINC000119681083 462922318 /nfs/dbraw/zinc/92/23/18/462922318.db2.gz DNEUGFYCRIGPGR-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)ccc1[N+](=O)[O-] ZINC000119681083 462922324 /nfs/dbraw/zinc/92/23/24/462922324.db2.gz DNEUGFYCRIGPGR-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)c1 ZINC000295203625 464743769 /nfs/dbraw/zinc/74/37/69/464743769.db2.gz FNXJLQQBITYGNX-LLVKDONJSA-N -1 3 348.808 2.402 10 5 EEBEHM O=[N+]([O-])c1cn(Cc2noc(-c3ccccc3[O-])n2)nc1C1CC1 ZINC000373046397 466675027 /nfs/dbraw/zinc/67/50/27/466675027.db2.gz VUEJABVKLGHJKB-UHFFFAOYSA-N -1 3 327.300 2.473 10 5 EEBEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594829305 468699263 /nfs/dbraw/zinc/69/92/63/468699263.db2.gz UOYBYHFVTCIOKD-MGCOHNPYSA-N -1 3 334.781 2.094 10 5 EEBEHM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 ZINC000594865336 468712167 /nfs/dbraw/zinc/71/21/67/468712167.db2.gz WPFNTEJAOZDNPB-CQSZACIVSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601391200 468854514 /nfs/dbraw/zinc/85/45/14/468854514.db2.gz MTQDBLUMPQHMRO-GXSJLCMTSA-N -1 3 348.446 2.448 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCO1 ZINC000601444887 468876345 /nfs/dbraw/zinc/87/63/45/468876345.db2.gz KRTPRZWYERQRNA-VHSXEESVSA-N -1 3 334.419 2.201 10 5 EEBEHM O=C([O-])CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000593333637 468941836 /nfs/dbraw/zinc/94/18/36/468941836.db2.gz XCKBVDRCINPSFV-UHFFFAOYSA-N -1 3 330.287 2.493 10 5 EEBEHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000593547357 469028645 /nfs/dbraw/zinc/02/86/45/469028645.db2.gz DNJXCQRPAQTEGP-SECBINFHSA-N -1 3 341.414 2.269 10 5 EEBEHM CCC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)OCC ZINC000599367595 469231215 /nfs/dbraw/zinc/23/12/15/469231215.db2.gz JSCJJJVAKTYLHV-LBPRGKRZSA-N -1 3 346.405 2.087 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)nc1 ZINC000599412922 469246987 /nfs/dbraw/zinc/24/69/87/469246987.db2.gz SVPVHVADCPJTKX-OAHLLOKOSA-N -1 3 348.384 2.205 10 5 EEBEHM O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(Cc2nn[n-]n2)CC1 ZINC001560114488 1342507723 /nfs/dbraw/zinc/50/77/23/1342507723.db2.gz PBQWRAMXCUSBDI-UHFFFAOYSA-N -1 3 336.783 2.216 10 5 EEBEHM Cc1cnc(N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001642863123 1352739146 /nfs/dbraw/zinc/73/91/46/1352739146.db2.gz UKUZCCWTIXUVPR-MNOVXSKESA-N -1 3 345.359 2.474 10 5 EEBEHM COc1cc(CN2Cc3nc(C)[n-]c(=O)c3C2)c([N+](=O)[O-])cc1F ZINC001175079610 797992426 /nfs/dbraw/zinc/99/24/26/797992426.db2.gz NIGJEGXLMIIGGR-UHFFFAOYSA-N -1 3 334.307 2.062 10 5 EEBEHM CCc1nocc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001457612103 1109694465 /nfs/dbraw/zinc/69/44/65/1109694465.db2.gz LYWMTDDFQIBXIJ-UHFFFAOYSA-N -1 3 328.288 2.183 10 5 EEBEHM CCc1nocc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC001531627854 1122479891 /nfs/dbraw/zinc/47/98/91/1122479891.db2.gz QWSQILCVLFRONT-UHFFFAOYSA-N -1 3 333.300 2.493 10 5 EEBEHM Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)ccn1 ZINC000050676756 214065755 /nfs/dbraw/zinc/06/57/55/214065755.db2.gz XJFZDOBRSGBPJP-UHFFFAOYSA-N -1 3 328.737 2.026 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000525663421 317065644 /nfs/dbraw/zinc/06/56/44/317065644.db2.gz HFMNSZRPRFGLCQ-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000525663421 317065646 /nfs/dbraw/zinc/06/56/46/317065646.db2.gz HFMNSZRPRFGLCQ-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cscn1 ZINC000574340086 320016991 /nfs/dbraw/zinc/01/69/91/320016991.db2.gz UCFBORMGIHYNOG-QMMMGPOBSA-N -1 3 343.386 2.099 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2nccc(C)n2)c(C)c([N+](=O)[O-])c1 ZINC000348512307 465643612 /nfs/dbraw/zinc/64/36/12/465643612.db2.gz PYZKLQWVRDGJLQ-UHFFFAOYSA-N -1 3 330.300 2.041 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(O)c3)cs2)n1 ZINC000361071652 465745018 /nfs/dbraw/zinc/74/50/18/465745018.db2.gz XSIZQIVMUMYLQU-UHFFFAOYSA-N -1 3 345.340 2.410 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000580068833 468461619 /nfs/dbraw/zinc/46/16/19/468461619.db2.gz XPECBTQXIGFANI-VHSXEESVSA-N -1 3 332.353 2.162 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000319816577 466600470 /nfs/dbraw/zinc/60/04/70/466600470.db2.gz BXPZVAOLAZQJGJ-UWVGGRQHSA-N -1 3 348.808 2.078 10 5 EEBEHM COc1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC000450910555 467203897 /nfs/dbraw/zinc/20/38/97/467203897.db2.gz ASGBXHYCDBBIFG-UHFFFAOYSA-N -1 3 334.332 2.072 10 5 EEBEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487079656 468021752 /nfs/dbraw/zinc/02/17/52/468021752.db2.gz QGFBMMLQDVOOKB-NSHDSACASA-N -1 3 338.389 2.159 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000592067573 468611280 /nfs/dbraw/zinc/61/12/80/468611280.db2.gz JHAYFHKJKLQRPU-QMMMGPOBSA-N -1 3 338.332 2.173 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000601444923 468876646 /nfs/dbraw/zinc/87/66/46/468876646.db2.gz LBZFFYMZVXPREV-QWRGUYRKSA-N -1 3 346.380 2.278 10 5 EEBEHM O=c1[n-]ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] ZINC000596178764 469188568 /nfs/dbraw/zinc/18/85/68/469188568.db2.gz KLUYXDTXSKSXLD-JTQLQIEISA-N -1 3 330.348 2.006 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1C ZINC000599459854 469266583 /nfs/dbraw/zinc/26/65/83/469266583.db2.gz ORYPXMSINFAYGB-YXMPFFBPSA-N -1 3 342.417 2.302 10 5 EEBEHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000759169994 577638337 /nfs/dbraw/zinc/63/83/37/577638337.db2.gz WDGMOJPWYRYSHG-CLFYSBASSA-N -1 3 338.320 2.046 10 5 EEBEHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000759169994 577638338 /nfs/dbraw/zinc/63/83/38/577638338.db2.gz WDGMOJPWYRYSHG-CLFYSBASSA-N -1 3 338.320 2.046 10 5 EEBEHM CC(=CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000752774802 577775955 /nfs/dbraw/zinc/77/59/55/577775955.db2.gz DXVQGBSIGPIRDJ-DHZHZOJOSA-N -1 3 340.339 2.079 10 5 EEBEHM O=C([N-]OCc1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000757612077 577861157 /nfs/dbraw/zinc/86/11/57/577861157.db2.gz FNHAUQGDNUNPNI-UHFFFAOYSA-N -1 3 334.259 2.324 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCSC2)c(F)cc1[N+](=O)[O-] ZINC000867573687 1201635865 /nfs/dbraw/zinc/63/58/65/1201635865.db2.gz MBBBPKLWSIYHLR-JTQLQIEISA-N -1 3 348.421 2.464 10 5 EEBEHM O=C(CSc1ccccc1[N+](=O)[O-])N1CCCc2c(=O)[n-]cnc21 ZINC001597573693 1349928173 /nfs/dbraw/zinc/92/81/73/1349928173.db2.gz KEAVJTILJYAUGR-UHFFFAOYSA-N -1 3 346.368 2.162 10 5 EEBEHM CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001643234345 1352743711 /nfs/dbraw/zinc/74/37/11/1352743711.db2.gz CCDGSQGJZIXFGI-YFKPBYRVSA-N -1 3 333.274 2.430 10 5 EEBEHM Cc1ccc([C@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1[N+](=O)[O-] ZINC001653906183 1354135571 /nfs/dbraw/zinc/13/55/71/1354135571.db2.gz CCHQEUXVJXKMOF-NSHDSACASA-N -1 3 344.371 2.322 10 5 EEBEHM COC(=O)c1cnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC001459035705 1110054399 /nfs/dbraw/zinc/05/43/99/1110054399.db2.gz VVCRFQJFXSGTGH-UHFFFAOYSA-N -1 3 339.304 2.219 10 5 EEBEHM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001472818237 1110563884 /nfs/dbraw/zinc/56/38/84/1110563884.db2.gz ZRSKIQHNAJXGNK-VHSXEESVSA-N -1 3 331.332 2.166 10 5 EEBEHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000266360757 248263712 /nfs/dbraw/zinc/26/37/12/248263712.db2.gz RXBGLRAZTSQQRA-SNVBAGLBSA-N -1 3 348.446 2.413 10 5 EEBEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000357714315 153300318 /nfs/dbraw/zinc/30/03/18/153300318.db2.gz YWKMOILBYJTGHD-UHFFFAOYSA-N -1 3 348.315 2.278 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000277968946 269201843 /nfs/dbraw/zinc/20/18/43/269201843.db2.gz SNPNLQACELGBTN-MWLCHTKSSA-N -1 3 348.808 2.260 10 5 EEBEHM CC(=O)c1cnc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s1 ZINC000118684310 462847004 /nfs/dbraw/zinc/84/70/04/462847004.db2.gz BDOKJMDAWFORHP-UHFFFAOYSA-N -1 3 331.313 2.383 10 5 EEBEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)n1 ZINC000357446079 466045665 /nfs/dbraw/zinc/04/56/65/466045665.db2.gz RMYVIZMUUWVIGX-UHFFFAOYSA-N -1 3 339.311 2.234 10 5 EEBEHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000435634049 467484741 /nfs/dbraw/zinc/48/47/41/467484741.db2.gz BYYIEPSRYWDVPG-UHFFFAOYSA-N -1 3 327.387 2.092 10 5 EEBEHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1[O-] ZINC000548861778 468148905 /nfs/dbraw/zinc/14/89/05/468148905.db2.gz ONGXSGDDUAKPQY-UHFFFAOYSA-N -1 3 331.284 2.043 10 5 EEBEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594480146 468601641 /nfs/dbraw/zinc/60/16/41/468601641.db2.gz ZTMYEJBWZLBSMV-SNVBAGLBSA-N -1 3 348.396 2.463 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000594819260 468696773 /nfs/dbraw/zinc/69/67/73/468696773.db2.gz XNIDAECTJXGYBH-MRVPVSSYSA-N -1 3 343.386 2.099 10 5 EEBEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000594829354 468699441 /nfs/dbraw/zinc/69/94/41/468699441.db2.gz VZKMMCCQEVQYKF-HAQNSBGRSA-N -1 3 328.390 2.057 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000594850729 468704322 /nfs/dbraw/zinc/70/43/22/468704322.db2.gz HAVASGHLNPPKGS-MQMHXKEQSA-N -1 3 348.380 2.483 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(F)cc1[N+](=O)[O-] ZINC000601472161 468889031 /nfs/dbraw/zinc/88/90/31/468889031.db2.gz PGZPVZJRNNMTEV-LLVKDONJSA-N -1 3 346.380 2.137 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)nc1 ZINC000593526865 469017527 /nfs/dbraw/zinc/01/75/27/469017527.db2.gz AHPXLIFPFFMZHO-CYBMUJFWSA-N -1 3 347.396 2.388 10 5 EEBEHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000593552240 469030982 /nfs/dbraw/zinc/03/09/82/469030982.db2.gz JSXNIUAGJMTPMR-SNVBAGLBSA-N -1 3 341.414 2.208 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)nc1 ZINC000593555536 469032462 /nfs/dbraw/zinc/03/24/62/469032462.db2.gz INIGOYRGTVXODZ-SDDRHHMPSA-N -1 3 325.390 2.237 10 5 EEBEHM CCOC(=O)Cc1csc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596063137 469134685 /nfs/dbraw/zinc/13/46/85/469134685.db2.gz TYFFZRMNLFQRRY-UHFFFAOYSA-N -1 3 341.370 2.409 10 5 EEBEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cscn2)cc1[N+](=O)[O-] ZINC000573799092 469208982 /nfs/dbraw/zinc/20/89/82/469208982.db2.gz XNFMSEPBHLJDCJ-SECBINFHSA-N -1 3 327.387 2.399 10 5 EEBEHM O=C([O-])C1CC(NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901795325 1236344433 /nfs/dbraw/zinc/34/44/33/1236344433.db2.gz GPUQUAQRFICWKC-UHFFFAOYSA-N -1 3 335.179 2.372 10 5 EEBEHM Cn1ncc2c1nc(SCc1ccc([N+](=O)[O-])cc1F)[n-]c2=O ZINC001189737155 1280486683 /nfs/dbraw/zinc/48/66/83/1280486683.db2.gz CCYNWJRIWCRSKM-UHFFFAOYSA-N -1 3 335.320 2.409 10 5 EEBEHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000797848380 1304858691 /nfs/dbraw/zinc/85/86/91/1304858691.db2.gz JCRLDGMQGBBLPM-GMSGAONNSA-N -1 3 349.206 2.434 10 5 EEBEHM CNC(=O)c1cc2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc2[nH]1 ZINC001163197514 1321064108 /nfs/dbraw/zinc/06/41/08/1321064108.db2.gz IKPIZPMXWQIYMW-UHFFFAOYSA-N -1 3 327.300 2.280 10 5 EEBEHM Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001300200792 1338184021 /nfs/dbraw/zinc/18/40/21/1338184021.db2.gz CPFMXCRYUBKMGS-UHFFFAOYSA-N -1 3 348.334 2.132 10 5 EEBEHM O=C([N-]c1noc2c1CCCC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001617326196 1352339819 /nfs/dbraw/zinc/33/98/19/1352339819.db2.gz IRLJFMQDUKQKHF-UHFFFAOYSA-N -1 3 345.311 2.485 10 5 EEBEHM C[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001628247096 1352526966 /nfs/dbraw/zinc/52/69/66/1352526966.db2.gz VMXSRXYTQXMUII-NXEZZACHSA-N -1 3 348.334 2.282 10 5 EEBEHM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001639639613 1352700050 /nfs/dbraw/zinc/70/00/50/1352700050.db2.gz GSONTFZNPISMGS-SNVBAGLBSA-N -1 3 341.327 2.135 10 5 EEBEHM CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001643234344 1352743445 /nfs/dbraw/zinc/74/34/45/1352743445.db2.gz CCDGSQGJZIXFGI-RXMQYKEDSA-N -1 3 333.274 2.430 10 5 EEBEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000921714582 795590163 /nfs/dbraw/zinc/59/01/63/795590163.db2.gz FFZLFBQIJNBKNK-RKDXNWHRSA-N -1 3 334.394 2.296 10 5 EEBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000067950802 215257805 /nfs/dbraw/zinc/25/78/05/215257805.db2.gz HAPVAUHKCUKBIZ-VIFPVBQESA-N -1 3 327.387 2.399 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000069042872 215355175 /nfs/dbraw/zinc/35/51/75/215355175.db2.gz HOXHZNNEHPLUKD-LLVKDONJSA-N -1 3 326.374 2.238 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2CCOCC2)c1 ZINC000183520760 235122686 /nfs/dbraw/zinc/12/26/86/235122686.db2.gz QSTFLUFUIUQXJK-UHFFFAOYSA-N -1 3 334.781 2.014 10 5 EEBEHM Cc1c(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cccc1[N+](=O)[O-] ZINC000019815264 212071715 /nfs/dbraw/zinc/07/17/15/212071715.db2.gz NKMFJIZTRFJOLT-UHFFFAOYSA-N -1 3 325.280 2.039 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000344892972 161254206 /nfs/dbraw/zinc/25/42/06/161254206.db2.gz WEVDHRWKGKKOTO-UHFFFAOYSA-N -1 3 332.353 2.164 10 5 EEBEHM O=C(Nc1csc(-c2ccccn2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345951859 161345112 /nfs/dbraw/zinc/34/51/12/161345112.db2.gz HKOXJMNSDSZFMN-UHFFFAOYSA-N -1 3 343.324 2.466 10 5 EEBEHM O=C(NCc1ncccc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000352505634 162162830 /nfs/dbraw/zinc/16/28/30/162162830.db2.gz AIEBSMPKGFOHMA-UHFFFAOYSA-N -1 3 339.254 2.227 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000187161719 464103000 /nfs/dbraw/zinc/10/30/00/464103000.db2.gz BXSPOQKAKUSMGO-SECBINFHSA-N -1 3 334.369 2.313 10 5 EEBEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000188529345 464303933 /nfs/dbraw/zinc/30/39/33/464303933.db2.gz BLVUUFJFKYANLW-DTWKUNHWSA-N -1 3 336.797 2.258 10 5 EEBEHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000265494670 464581233 /nfs/dbraw/zinc/58/12/33/464581233.db2.gz XLDKDLDAVISXML-LLVKDONJSA-N -1 3 346.405 2.087 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000370231013 466805988 /nfs/dbraw/zinc/80/59/88/466805988.db2.gz ASWQWVQKIPUQCO-UHFFFAOYSA-N -1 3 326.374 2.214 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790575 468686468 /nfs/dbraw/zinc/68/64/68/468686468.db2.gz SVTPBCWKPHVWLU-SNVBAGLBSA-N -1 3 347.462 2.116 10 5 EEBEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000594864272 468711367 /nfs/dbraw/zinc/71/13/67/468711367.db2.gz UPULGFASTLMDCR-CQSZACIVSA-N -1 3 328.390 2.460 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000595363884 468826211 /nfs/dbraw/zinc/82/62/11/468826211.db2.gz KZKLADLUIJGNPJ-CQSZACIVSA-N -1 3 328.390 2.316 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000601444922 468876315 /nfs/dbraw/zinc/87/63/15/468876315.db2.gz LBZFFYMZVXPREV-MNOVXSKESA-N -1 3 346.380 2.278 10 5 EEBEHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000593566876 469039312 /nfs/dbraw/zinc/03/93/12/469039312.db2.gz PKGWWCAJELYPIM-UHFFFAOYSA-N -1 3 342.402 2.048 10 5 EEBEHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585517 469047586 /nfs/dbraw/zinc/04/75/86/469047586.db2.gz OECWMKPIGAVUEL-MRVPVSSYSA-N -1 3 341.311 2.389 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000599365198 469229606 /nfs/dbraw/zinc/22/96/06/469229606.db2.gz URVQKDQCEGZLHP-CYBMUJFWSA-N -1 3 342.417 2.307 10 5 EEBEHM CC(C)CN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000160283833 527981460 /nfs/dbraw/zinc/98/14/60/527981460.db2.gz KDEMMGKMSSTYPB-LLVKDONJSA-N -1 3 347.462 2.055 10 5 EEBEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127745 1199323784 /nfs/dbraw/zinc/32/37/84/1199323784.db2.gz AWNNNKKVIFYKSL-DTWKUNHWSA-N -1 3 341.249 2.474 10 5 EEBEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127745 1199323790 /nfs/dbraw/zinc/32/37/90/1199323790.db2.gz AWNNNKKVIFYKSL-DTWKUNHWSA-N -1 3 341.249 2.474 10 5 EEBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452717943 1105660830 /nfs/dbraw/zinc/66/08/30/1105660830.db2.gz DJQHOVKJUYEYAF-LLVKDONJSA-N -1 3 348.334 2.111 10 5 EEBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452717945 1105661138 /nfs/dbraw/zinc/66/11/38/1105661138.db2.gz DJQHOVKJUYEYAF-NSHDSACASA-N -1 3 348.334 2.111 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC1(C)C ZINC000175684370 231492882 /nfs/dbraw/zinc/49/28/82/231492882.db2.gz STYPLJOMAKDZKO-CYBMUJFWSA-N -1 3 328.390 2.460 10 5 EEBEHM Cn1nc(-c2ccsc2)cc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000448376364 242399862 /nfs/dbraw/zinc/39/98/62/242399862.db2.gz OZOJPKKSIVBYJE-UHFFFAOYSA-N -1 3 345.340 2.410 10 5 EEBEHM CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCSC)c1 ZINC000083419573 217543075 /nfs/dbraw/zinc/54/30/75/217543075.db2.gz ZEIKHZGIZRTCLF-UHFFFAOYSA-N -1 3 333.435 2.058 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000185773314 160048304 /nfs/dbraw/zinc/04/83/04/160048304.db2.gz SJAWDEKHDLHEJB-UHFFFAOYSA-N -1 3 327.387 2.092 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCCc2ccccn2)cc1[N+](=O)[O-] ZINC000342512169 161070940 /nfs/dbraw/zinc/07/09/40/161070940.db2.gz ONPYWIBZWSSDQE-UHFFFAOYSA-N -1 3 341.414 2.271 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000416385542 313210033 /nfs/dbraw/zinc/21/00/33/313210033.db2.gz HURHNMZGGWMWAV-UHFFFAOYSA-N -1 3 341.414 2.455 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127809632 462584399 /nfs/dbraw/zinc/58/43/99/462584399.db2.gz WTKPNVRPICPLEA-TZMCWYRMSA-N -1 3 342.417 2.204 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccccn1 ZINC000030495974 463300705 /nfs/dbraw/zinc/30/07/05/463300705.db2.gz CAYMASVLRRNAIZ-SNVBAGLBSA-N -1 3 337.357 2.038 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000276870336 463788563 /nfs/dbraw/zinc/78/85/63/463788563.db2.gz HKKUDCSYZLDOSY-UHFFFAOYSA-N -1 3 341.414 2.455 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592109029 468626935 /nfs/dbraw/zinc/62/69/35/468626935.db2.gz WNPQWZZVBYFYPL-GMTAPVOTSA-N -1 3 326.374 2.070 10 5 EEBEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594802691 468692907 /nfs/dbraw/zinc/69/29/07/468692907.db2.gz YZPAHQYSGJHMQH-NSHDSACASA-N -1 3 346.380 2.217 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)cc1C ZINC000594850178 468704292 /nfs/dbraw/zinc/70/42/92/468704292.db2.gz CHUWWJKMNAZCHN-QWHCGFSZSA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)O2)c1C ZINC000594852487 468705757 /nfs/dbraw/zinc/70/57/57/468705757.db2.gz PZENUYDVTGNUGG-DGCLKSJQSA-N -1 3 342.417 2.448 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-]C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000595389616 468835447 /nfs/dbraw/zinc/83/54/47/468835447.db2.gz QDTHRTBOVMFPHS-UHFFFAOYSA-N -1 3 332.353 2.209 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601377612 468848681 /nfs/dbraw/zinc/84/86/81/468848681.db2.gz GVVNJXIFUXUWQB-SECBINFHSA-N -1 3 334.419 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)c([N+](=O)[O-])s1 ZINC000601465265 468885678 /nfs/dbraw/zinc/88/56/78/468885678.db2.gz QTCNGBMGLJRTAQ-WPRPVWTQSA-N -1 3 334.419 2.201 10 5 EEBEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601464619 468885785 /nfs/dbraw/zinc/88/57/85/468885785.db2.gz SCWMOSYBZMIRFE-LLVKDONJSA-N -1 3 348.446 2.448 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000562258416 468926818 /nfs/dbraw/zinc/92/68/18/468926818.db2.gz FFYPWOQLTDOBON-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000562258416 468926820 /nfs/dbraw/zinc/92/68/20/468926820.db2.gz FFYPWOQLTDOBON-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM CCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000593532169 469020542 /nfs/dbraw/zinc/02/05/42/469020542.db2.gz XVLAFSDLZBASJU-UHFFFAOYSA-N -1 3 327.387 2.092 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610715844 469047536 /nfs/dbraw/zinc/04/75/36/469047536.db2.gz PRYKDRZRIJOKJU-AWEZNQCLSA-N -1 3 342.417 2.468 10 5 EEBEHM Cc1nc(N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001612539657 1352308786 /nfs/dbraw/zinc/30/87/86/1352308786.db2.gz WCLRXZNTKUZZCF-NXEZZACHSA-N -1 3 345.359 2.474 10 5 EEBEHM O=C(Nc1ccnn1-c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001171934741 796817772 /nfs/dbraw/zinc/81/77/72/796817772.db2.gz RIGNSDZMYMPXRB-UHFFFAOYSA-N -1 3 343.274 2.273 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-])c1cccs1 ZINC000050654448 214065035 /nfs/dbraw/zinc/06/50/35/214065035.db2.gz HVAQSDGBXNQKGU-MRVPVSSYSA-N -1 3 327.387 2.278 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000266413557 248288370 /nfs/dbraw/zinc/28/83/70/248288370.db2.gz CVKGQYNIOJLDFF-UHFFFAOYSA-N -1 3 342.295 2.224 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185818503 160048826 /nfs/dbraw/zinc/04/88/26/160048826.db2.gz OYAJYJGPODPVGL-NSHDSACASA-N -1 3 327.387 2.481 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCOC(C)C ZINC000272790504 274182125 /nfs/dbraw/zinc/18/21/25/274182125.db2.gz CCBDZSPKKMKJFQ-UHFFFAOYSA-N -1 3 346.405 2.087 10 5 EEBEHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000490469270 315801475 /nfs/dbraw/zinc/80/14/75/315801475.db2.gz JAXMAYLSRGQNPQ-UHFFFAOYSA-N -1 3 338.389 2.025 10 5 EEBEHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187840756 464167899 /nfs/dbraw/zinc/16/78/99/464167899.db2.gz MXPIYQDHULJMIA-UHFFFAOYSA-N -1 3 340.332 2.221 10 5 EEBEHM COc1nnc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[n-]1 ZINC000183007844 464776633 /nfs/dbraw/zinc/77/66/33/464776633.db2.gz NEXMWLADXREHPH-UHFFFAOYSA-N -1 3 346.328 2.097 10 5 EEBEHM COc1n[n-]c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000183007844 464776636 /nfs/dbraw/zinc/77/66/36/464776636.db2.gz NEXMWLADXREHPH-UHFFFAOYSA-N -1 3 346.328 2.097 10 5 EEBEHM COc1nc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[n-]1 ZINC000183007844 464776640 /nfs/dbraw/zinc/77/66/40/464776640.db2.gz NEXMWLADXREHPH-UHFFFAOYSA-N -1 3 346.328 2.097 10 5 EEBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ccc(OCC(F)(F)F)o1 ZINC000594004657 468457214 /nfs/dbraw/zinc/45/72/14/468457214.db2.gz OWQYRWDHPPYJOV-UHFFFAOYSA-N -1 3 334.210 2.115 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593532013 469020721 /nfs/dbraw/zinc/02/07/21/469020721.db2.gz RDNLDYQYIDMUKJ-UHFFFAOYSA-N -1 3 335.385 2.246 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)nc1 ZINC000593581682 469046169 /nfs/dbraw/zinc/04/61/69/469046169.db2.gz KSTCKXUOPBCYOW-UHFFFAOYSA-N -1 3 333.369 2.346 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc32)nc1 ZINC000593601977 469054862 /nfs/dbraw/zinc/05/48/62/469054862.db2.gz AHHQTIMGNGCYQR-CYBMUJFWSA-N -1 3 347.396 2.388 10 5 EEBEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127744 1199323982 /nfs/dbraw/zinc/32/39/82/1199323982.db2.gz AWNNNKKVIFYKSL-BDAKNGLRSA-N -1 3 341.249 2.474 10 5 EEBEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127744 1199323988 /nfs/dbraw/zinc/32/39/88/1199323988.db2.gz AWNNNKKVIFYKSL-BDAKNGLRSA-N -1 3 341.249 2.474 10 5 EEBEHM O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001197304443 1284540728 /nfs/dbraw/zinc/54/07/28/1284540728.db2.gz MOGHJHTVBMHVPF-SSDOTTSWSA-N -1 3 343.174 2.404 10 5 EEBEHM O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001197304443 1284540732 /nfs/dbraw/zinc/54/07/32/1284540732.db2.gz MOGHJHTVBMHVPF-SSDOTTSWSA-N -1 3 343.174 2.404 10 5 EEBEHM COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c(OC)c1 ZINC001158240292 1319108682 /nfs/dbraw/zinc/10/86/82/1319108682.db2.gz WQXCMXGZLLNAGG-UHFFFAOYSA-N -1 3 346.295 2.348 10 5 EEBEHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001321651247 1333138093 /nfs/dbraw/zinc/13/80/93/1333138093.db2.gz TXZOOJLUBPQPGR-UHFFFAOYSA-N -1 3 342.290 2.021 10 5 EEBEHM O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628245822 1352527110 /nfs/dbraw/zinc/52/71/10/1352527110.db2.gz NLVXWZGJEKUJMD-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001634392060 1352627204 /nfs/dbraw/zinc/62/72/04/1352627204.db2.gz SWKVJXRIFVBCCR-UHFFFAOYSA-N -1 3 328.328 2.172 10 5 EEBEHM Cn1ncc2c1nc(SCCOc1cccc([N+](=O)[O-])c1)[n-]c2=O ZINC001644087656 1352757091 /nfs/dbraw/zinc/75/70/91/1352757091.db2.gz POADDQKPSZBPRP-UHFFFAOYSA-N -1 3 347.356 2.148 10 5 EEBEHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ncccc1F ZINC001650774935 1354029490 /nfs/dbraw/zinc/02/94/90/1354029490.db2.gz AYLUWXNTHYMGPH-UHFFFAOYSA-N -1 3 328.263 2.166 10 5 EEBEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001452741402 1105669354 /nfs/dbraw/zinc/66/93/54/1105669354.db2.gz XGPQCKZMYAVOOR-UHFFFAOYSA-N -1 3 328.284 2.075 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC001532653106 1122864829 /nfs/dbraw/zinc/86/48/29/1122864829.db2.gz UYTJVYJGMQFLKQ-UHFFFAOYSA-N -1 3 348.319 2.238 10 5 EEBEHM O=C([N-]c1ccnc(F)c1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001532779232 1122936528 /nfs/dbraw/zinc/93/65/28/1122936528.db2.gz ARZVVFRQSPWFPW-UHFFFAOYSA-N -1 3 337.238 2.292 10 5 EEBEHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1[N+](=O)[O-] ZINC001535493833 1123557809 /nfs/dbraw/zinc/55/78/09/1123557809.db2.gz YQPPGUXBLGZIDP-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC001535493833 1123557814 /nfs/dbraw/zinc/55/78/14/1123557814.db2.gz YQPPGUXBLGZIDP-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000275924019 256388071 /nfs/dbraw/zinc/38/80/71/256388071.db2.gz YTEXASGJEOVOQW-UHFFFAOYSA-N -1 3 348.746 2.251 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)C1 ZINC000360366149 164293495 /nfs/dbraw/zinc/29/34/95/164293495.db2.gz ZHOIGMXUMHVUOK-WDEREUQCSA-N -1 3 328.390 2.318 10 5 EEBEHM Cc1[nH]ncc1C1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000375912291 167225019 /nfs/dbraw/zinc/22/50/19/167225019.db2.gz ASWIEVLUXSYEFK-UHFFFAOYSA-N -1 3 330.344 2.352 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160118434 225342274 /nfs/dbraw/zinc/34/22/74/225342274.db2.gz LWRFNUIQVVIWEV-UHFFFAOYSA-N -1 3 326.374 2.072 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCCSC ZINC000274729340 269047246 /nfs/dbraw/zinc/04/72/46/269047246.db2.gz KJZGTGIJZHAVRA-UHFFFAOYSA-N -1 3 348.446 2.415 10 5 EEBEHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000170735771 311395038 /nfs/dbraw/zinc/39/50/38/311395038.db2.gz WQPXIEYGPNAWEC-HNNXBMFYSA-N -1 3 336.369 2.261 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c1C ZINC000416662829 313289500 /nfs/dbraw/zinc/28/95/00/313289500.db2.gz RJOLRCAPJVMREZ-CHWSQXEVSA-N -1 3 342.417 2.041 10 5 EEBEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969880 315018086 /nfs/dbraw/zinc/01/80/86/315018086.db2.gz ZUUPFOZHUOLRBL-CQSZACIVSA-N -1 3 343.383 2.203 10 5 EEBEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000517272948 448568645 /nfs/dbraw/zinc/56/86/45/448568645.db2.gz AMSCNAXWNZNWPI-SNVBAGLBSA-N -1 3 340.343 2.461 10 5 EEBEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000517272948 448568656 /nfs/dbraw/zinc/56/86/56/448568656.db2.gz AMSCNAXWNZNWPI-SNVBAGLBSA-N -1 3 340.343 2.461 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594489348 468607208 /nfs/dbraw/zinc/60/72/08/468607208.db2.gz ZKSUPUPAGAVMEU-CHWSQXEVSA-N -1 3 346.380 2.360 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC000592067582 468610783 /nfs/dbraw/zinc/61/07/83/468610783.db2.gz JTMSLRYEPYJIBL-MRVPVSSYSA-N -1 3 338.332 2.173 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594853554 468707019 /nfs/dbraw/zinc/70/70/19/468707019.db2.gz ZUBUYTNORXAGTD-SCZZXKLOSA-N -1 3 334.419 2.201 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@H]2C)c1C ZINC000601499698 468895684 /nfs/dbraw/zinc/89/56/84/468895684.db2.gz RDLWGKMIMTZNPX-ADEWGFFLSA-N -1 3 328.390 2.056 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000619473736 469618430 /nfs/dbraw/zinc/61/84/30/469618430.db2.gz GRALLALQLUXIPX-UHFFFAOYSA-N -1 3 346.748 2.328 10 5 EEBEHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000610005160 469974010 /nfs/dbraw/zinc/97/40/10/469974010.db2.gz DWTIECKYOOBTFC-UHFFFAOYSA-N -1 3 344.780 2.067 10 5 EEBEHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)s1 ZINC001272507338 1190857344 /nfs/dbraw/zinc/85/73/44/1190857344.db2.gz YVNSYHDLWBROOV-ZETCQYMHSA-N -1 3 325.350 2.135 10 5 EEBEHM CC(C)n1nnc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001134128215 1199323862 /nfs/dbraw/zinc/32/38/62/1199323862.db2.gz LTAPGGBREJIHQN-UHFFFAOYSA-N -1 3 344.253 2.433 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001152204957 1316645137 /nfs/dbraw/zinc/64/51/37/1316645137.db2.gz CYDSTKCNWOILJS-UHFFFAOYSA-N -1 3 344.323 2.442 10 5 EEBEHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2cnccn2n1 ZINC001462201216 1110354098 /nfs/dbraw/zinc/35/40/98/1110354098.db2.gz MPVYADXGLAMYEL-UHFFFAOYSA-N -1 3 344.356 2.397 10 5 EEBEHM COc1ccc2c(c1)nc(CNc1cc[n-]c(=O)c1[N+](=O)[O-])n2C ZINC001472763156 1110562963 /nfs/dbraw/zinc/56/29/63/1110562963.db2.gz OANBFGUBRMSPDX-UHFFFAOYSA-N -1 3 329.316 2.203 10 5 EEBEHM Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000050676747 214066064 /nfs/dbraw/zinc/06/60/64/214066064.db2.gz QPLWIAPHJLNGKK-UHFFFAOYSA-N -1 3 328.737 2.026 10 5 EEBEHM CN(C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000355482707 163204918 /nfs/dbraw/zinc/20/49/18/163204918.db2.gz WKHJAMOULSOJNA-AWEZNQCLSA-N -1 3 329.356 2.333 10 5 EEBEHM Cc1cnc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(Br)c1 ZINC000355689213 163270545 /nfs/dbraw/zinc/27/05/45/163270545.db2.gz PLRSEFOKOIHSEK-UHFFFAOYSA-N -1 3 340.137 2.047 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC2CCC2)c1C ZINC000564650118 319097873 /nfs/dbraw/zinc/09/78/73/319097873.db2.gz NEFRIKYHKVUIGL-UHFFFAOYSA-N -1 3 342.417 2.307 10 5 EEBEHM Cc1nc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(F)(F)F ZINC000574001079 319985367 /nfs/dbraw/zinc/98/53/67/319985367.db2.gz GSRIIGBIOQNXBO-UHFFFAOYSA-N -1 3 335.267 2.364 10 5 EEBEHM O=c1[n-]nc(SCc2csc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000077432061 462983317 /nfs/dbraw/zinc/98/33/17/462983317.db2.gz OIOONYUHWQOJRX-SECBINFHSA-N -1 3 342.402 2.012 10 5 EEBEHM O=C(CNc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccoc2)n1 ZINC000072286804 463498992 /nfs/dbraw/zinc/49/89/92/463498992.db2.gz XBIAFXDGLKZUJM-UHFFFAOYSA-N -1 3 328.288 2.024 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000318742246 466589707 /nfs/dbraw/zinc/58/97/07/466589707.db2.gz WNNLGGDZPBPIOX-UHFFFAOYSA-N -1 3 348.808 2.078 10 5 EEBEHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc(C)n1 ZINC000420694293 467455346 /nfs/dbraw/zinc/45/53/46/467455346.db2.gz BDRWBCHTEPHNFI-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM CC(C)([N-]S(=O)(=O)c1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000592038079 468603497 /nfs/dbraw/zinc/60/34/97/468603497.db2.gz RGOGOPABHQNZCZ-UHFFFAOYSA-N -1 3 327.387 2.265 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)C1CC1 ZINC000595363327 468825660 /nfs/dbraw/zinc/82/56/60/468825660.db2.gz AOJRYLKXKGJDEF-AWEZNQCLSA-N -1 3 328.390 2.316 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000595365841 468827080 /nfs/dbraw/zinc/82/70/80/468827080.db2.gz ZDQVKAGZAIHNIE-ZDUSSCGKSA-N -1 3 346.380 2.455 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H]2C)c1C ZINC000601499700 468895748 /nfs/dbraw/zinc/89/57/48/468895748.db2.gz RDLWGKMIMTZNPX-YUSALJHKSA-N -1 3 328.390 2.056 10 5 EEBEHM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593540526 469023958 /nfs/dbraw/zinc/02/39/58/469023958.db2.gz ZNNWCWWGQMCLIY-LBPRGKRZSA-N -1 3 335.385 2.462 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000593542217 469026290 /nfs/dbraw/zinc/02/62/90/469026290.db2.gz FMJZLHWOXLNABK-SNVBAGLBSA-N -1 3 342.402 2.184 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)nc1 ZINC000593548634 469028842 /nfs/dbraw/zinc/02/88/42/469028842.db2.gz PVFGJVIUJVILCG-OAHLLOKOSA-N -1 3 347.396 2.289 10 5 EEBEHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)OC ZINC000593566438 469038301 /nfs/dbraw/zinc/03/83/01/469038301.db2.gz GUYZOEYDNCJJGL-CYBMUJFWSA-N -1 3 345.421 2.109 10 5 EEBEHM CC(=O)Nc1cc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c(F)cc1F ZINC000749942199 577984136 /nfs/dbraw/zinc/98/41/36/577984136.db2.gz UOERMOKKWAJNNX-UHFFFAOYSA-N -1 3 339.258 2.115 10 5 EEBEHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000855133400 1293081313 /nfs/dbraw/zinc/08/13/13/1293081313.db2.gz FCVBMHCJHUKGIG-KHPPLWFESA-N -1 3 336.344 2.388 10 5 EEBEHM O=C1OCCN1c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001612177919 1352306054 /nfs/dbraw/zinc/30/60/54/1352306054.db2.gz VYYXXZFUPMHKQW-UHFFFAOYSA-N -1 3 330.300 2.264 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001633577382 1352613191 /nfs/dbraw/zinc/61/31/91/1352613191.db2.gz GFHRZHTUWQYMKE-UHFFFAOYSA-N -1 3 347.228 2.109 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCC2)nc1 ZINC000845900409 789987710 /nfs/dbraw/zinc/98/77/10/789987710.db2.gz MGRSEJAJNPLOIH-UHFFFAOYSA-N -1 3 347.396 2.434 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000172985546 797772975 /nfs/dbraw/zinc/77/29/75/797772975.db2.gz PCNHQOKOGFHAQT-ZETCQYMHSA-N -1 3 349.206 2.434 10 5 EEBEHM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCc2c(=O)[n-]cnc21 ZINC001438691891 1091193977 /nfs/dbraw/zinc/19/39/77/1091193977.db2.gz ZPKYHXUXSHPAHD-UHFFFAOYSA-N -1 3 328.328 2.002 10 5 EEBEHM COCCNc1ncnc([N-]c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000040648840 213364282 /nfs/dbraw/zinc/36/42/82/213364282.db2.gz LVJVHCHJTMFJJG-UHFFFAOYSA-N -1 3 334.292 2.095 10 5 EEBEHM O=[N+]([O-])c1cccc([N-]c2ncnc(-n3ccnc3)c2[N+](=O)[O-])c1 ZINC000040648926 213363608 /nfs/dbraw/zinc/36/36/08/213363608.db2.gz ZOTRPRLVHFATFD-UHFFFAOYSA-N -1 3 327.260 2.222 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCOC2)c1 ZINC000183651669 235183721 /nfs/dbraw/zinc/18/37/21/235183721.db2.gz VIPKPODPRFYNOU-VIFPVBQESA-N -1 3 334.781 2.014 10 5 EEBEHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442797232 242115971 /nfs/dbraw/zinc/11/59/71/242115971.db2.gz GXTFVOBHSCBMFX-UHFFFAOYSA-N -1 3 346.221 2.034 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000451961832 243326258 /nfs/dbraw/zinc/32/62/58/243326258.db2.gz UMGXOSQCUXITGZ-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000452052165 243335265 /nfs/dbraw/zinc/33/52/65/243335265.db2.gz ZBOIJDJWIOQOMR-ONGXEEELSA-N -1 3 344.364 2.067 10 5 EEBEHM COCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183624305 292624965 /nfs/dbraw/zinc/62/49/65/292624965.db2.gz GJAJHFWOQVVAKU-SECBINFHSA-N -1 3 336.797 2.260 10 5 EEBEHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000521827059 316931934 /nfs/dbraw/zinc/93/19/34/316931934.db2.gz CHXCRIJDVWOJMV-UHFFFAOYSA-N -1 3 336.797 2.342 10 5 EEBEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000193820812 463745302 /nfs/dbraw/zinc/74/53/02/463745302.db2.gz SHFOXCZNYJMRIX-SNVBAGLBSA-N -1 3 347.824 2.011 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000185503720 463834614 /nfs/dbraw/zinc/83/46/14/463834614.db2.gz SOGGEVFOWTZFFU-JTQLQIEISA-N -1 3 346.380 2.278 10 5 EEBEHM CN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000520586886 468260314 /nfs/dbraw/zinc/26/03/14/468260314.db2.gz NSHXDYFHVXGQEZ-SNVBAGLBSA-N -1 3 327.768 2.120 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)c([N+](=O)[O-])c1 ZINC000592067583 468611374 /nfs/dbraw/zinc/61/13/74/468611374.db2.gz JTMSLRYEPYJIBL-QMMMGPOBSA-N -1 3 338.332 2.173 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCc2cnccc2C)cc1[N+](=O)[O-] ZINC000594818141 468695841 /nfs/dbraw/zinc/69/58/41/468695841.db2.gz IEMLATUAXJQPHI-UHFFFAOYSA-N -1 3 341.414 2.189 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)c([N+](=O)[O-])s1 ZINC000601371791 468846214 /nfs/dbraw/zinc/84/62/14/468846214.db2.gz QJGCCWYRPIVQAX-VIFPVBQESA-N -1 3 334.419 2.058 10 5 EEBEHM CCC1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOCC1 ZINC000601381984 468850365 /nfs/dbraw/zinc/85/03/65/468850365.db2.gz KPOXQMKQWZYQJQ-UHFFFAOYSA-N -1 3 334.419 2.202 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000593664428 469084343 /nfs/dbraw/zinc/08/43/43/469084343.db2.gz MYQLYODWJKTNEQ-UHFFFAOYSA-N -1 3 348.808 2.079 10 5 EEBEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1csc([N+](=O)[O-])c1 ZINC000178190664 490689845 /nfs/dbraw/zinc/68/98/45/490689845.db2.gz BJOPFIRDJGWEJP-UHFFFAOYSA-N -1 3 330.329 2.013 10 5 EEBEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1csc([N+](=O)[O-])c1 ZINC000178190664 490689851 /nfs/dbraw/zinc/68/98/51/490689851.db2.gz BJOPFIRDJGWEJP-UHFFFAOYSA-N -1 3 330.329 2.013 10 5 EEBEHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC000770285404 577593483 /nfs/dbraw/zinc/59/34/83/577593483.db2.gz BLTWXTADZLRRRS-UHFFFAOYSA-N -1 3 348.340 2.251 10 5 EEBEHM O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001197304444 1284540973 /nfs/dbraw/zinc/54/09/73/1284540973.db2.gz MOGHJHTVBMHVPF-ZETCQYMHSA-N -1 3 343.174 2.404 10 5 EEBEHM O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001197304444 1284540984 /nfs/dbraw/zinc/54/09/84/1284540984.db2.gz MOGHJHTVBMHVPF-ZETCQYMHSA-N -1 3 343.174 2.404 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)[n-]n1 ZINC001556063620 1342421772 /nfs/dbraw/zinc/42/17/72/1342421772.db2.gz HRZKZMJAFSGIDK-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n[n-]1 ZINC001556063620 1342421775 /nfs/dbraw/zinc/42/17/75/1342421775.db2.gz HRZKZMJAFSGIDK-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM O=c1[n-]cnc2c1CN(c1c3cc(F)ccc3ncc1[N+](=O)[O-])CC2 ZINC001650980805 1354036156 /nfs/dbraw/zinc/03/61/56/1354036156.db2.gz XUBUIIMSXYHVAL-UHFFFAOYSA-N -1 3 341.302 2.340 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C ZINC000359939053 164200505 /nfs/dbraw/zinc/20/05/05/164200505.db2.gz NAWYYLKBKBLXBY-WDEREUQCSA-N -1 3 328.390 2.318 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594790789 468685983 /nfs/dbraw/zinc/68/59/83/468685983.db2.gz WRNWHXFEFRRUDP-UHFFFAOYSA-N -1 3 348.808 2.342 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(C)C)C1CC1 ZINC000595365780 468826950 /nfs/dbraw/zinc/82/69/50/468826950.db2.gz XWTIDGMDTIXNQU-AWEZNQCLSA-N -1 3 328.390 2.316 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601394441 468857127 /nfs/dbraw/zinc/85/71/27/468857127.db2.gz UBDVTQXMCARQBT-QWRGUYRKSA-N -1 3 346.430 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601434178 468871629 /nfs/dbraw/zinc/87/16/29/468871629.db2.gz PAHLKBBFBCGMSQ-JTQLQIEISA-N -1 3 334.419 2.060 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC12CC2 ZINC000601481140 468891519 /nfs/dbraw/zinc/89/15/19/468891519.db2.gz RZGGBPNPAVMCIM-GFCCVEGCSA-N -1 3 326.374 2.214 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC000601501160 468896179 /nfs/dbraw/zinc/89/61/79/468896179.db2.gz JIURVTRLKXNILU-QMTHXVAHSA-N -1 3 326.374 2.214 10 5 EEBEHM Cn1[n-]c([C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)nc1=N ZINC000596253093 469222761 /nfs/dbraw/zinc/22/27/61/469222761.db2.gz WJULQJUEMIDUKL-CQSZACIVSA-N -1 3 339.359 2.026 10 5 EEBEHM C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000855329212 1293173666 /nfs/dbraw/zinc/17/36/66/1293173666.db2.gz ZVWVLRRVBQEGOG-KCJUWKMLSA-N -1 3 337.286 2.100 10 5 EEBEHM O=C(N[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccccc1 ZINC001655176888 1354166876 /nfs/dbraw/zinc/16/68/76/1354166876.db2.gz OJKHZDHHXBAKJQ-CYBMUJFWSA-N -1 3 342.355 2.094 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001540163219 1124076705 /nfs/dbraw/zinc/07/67/05/1124076705.db2.gz ZJFGAZIQDRICMU-UHFFFAOYSA-N -1 3 325.668 2.142 10 5 EEBEHM Cc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000055277021 214300842 /nfs/dbraw/zinc/30/08/42/214300842.db2.gz XENILFUKOGJCRH-UHFFFAOYSA-N -1 3 335.385 2.394 10 5 EEBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000067950801 215257514 /nfs/dbraw/zinc/25/75/14/215257514.db2.gz HAPVAUHKCUKBIZ-SECBINFHSA-N -1 3 327.387 2.399 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)n1 ZINC000427247771 241398599 /nfs/dbraw/zinc/39/85/99/241398599.db2.gz CBYPJIWCZSHQIR-UHFFFAOYSA-N -1 3 347.306 2.087 10 5 EEBEHM CN(CCCN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccco1 ZINC000344035139 161192225 /nfs/dbraw/zinc/19/22/25/161192225.db2.gz PYUFMJPGJFSCQE-UHFFFAOYSA-N -1 3 347.371 2.488 10 5 EEBEHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000346014169 161350054 /nfs/dbraw/zinc/35/00/54/161350054.db2.gz RLIAAIWPQSFQBN-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273119492 280758359 /nfs/dbraw/zinc/75/83/59/280758359.db2.gz HELSWAMHXSDYTF-VHSXEESVSA-N -1 3 344.389 2.094 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C)CC=CCC1 ZINC000416560834 313258648 /nfs/dbraw/zinc/25/86/48/313258648.db2.gz RNRLUTSOONEDCP-AWEZNQCLSA-N -1 3 326.374 2.381 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000416646309 313284306 /nfs/dbraw/zinc/28/43/06/313284306.db2.gz GPIRTZZPWATFIB-GHMZBOCLSA-N -1 3 338.341 2.031 10 5 EEBEHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000451820977 315453525 /nfs/dbraw/zinc/45/35/25/315453525.db2.gz ZWNGSSSGAVLGJZ-OCCSQVGLSA-N -1 3 342.417 2.324 10 5 EEBEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000568320000 319477218 /nfs/dbraw/zinc/47/72/18/319477218.db2.gz CTHMINQTBUAPGO-UHFFFAOYSA-N -1 3 344.389 2.094 10 5 EEBEHM CCSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000282293803 464766836 /nfs/dbraw/zinc/76/68/36/464766836.db2.gz LRMVJDCSGYLHAG-UHFFFAOYSA-N -1 3 334.419 2.025 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)cc2OC)n1 ZINC000356751513 465520876 /nfs/dbraw/zinc/52/08/76/465520876.db2.gz KYCLLZKTWNSRLL-UHFFFAOYSA-N -1 3 326.259 2.350 10 5 EEBEHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(=O)c2ccccc2[n-]1 ZINC000340394420 466062377 /nfs/dbraw/zinc/06/23/77/466062377.db2.gz VBKPQKBXDUWSSJ-UHFFFAOYSA-N -1 3 337.335 2.409 10 5 EEBEHM O=[N+]([O-])c1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccco3)c2c1 ZINC000558096476 468665062 /nfs/dbraw/zinc/66/50/62/468665062.db2.gz UXQWRQZZRNHYFQ-UHFFFAOYSA-N -1 3 335.341 2.190 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000594854186 468706959 /nfs/dbraw/zinc/70/69/59/468706959.db2.gz ZKUDDPMVKAUHID-JBLDHEPKSA-N -1 3 328.365 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCCOC(C)(C)C)c([N+](=O)[O-])s1 ZINC000601465862 468887062 /nfs/dbraw/zinc/88/70/62/468887062.db2.gz UYRXBGTWNBFYJK-UHFFFAOYSA-N -1 3 336.435 2.448 10 5 EEBEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)O1 ZINC000601499999 468895800 /nfs/dbraw/zinc/89/58/00/468895800.db2.gz TVRASXZIGLHWKS-VHSKPIJISA-N -1 3 334.781 2.092 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)nc1 ZINC000593526866 469017549 /nfs/dbraw/zinc/01/75/49/469017549.db2.gz AHPXLIFPFFMZHO-ZDUSSCGKSA-N -1 3 347.396 2.388 10 5 EEBEHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593534571 469022079 /nfs/dbraw/zinc/02/20/79/469022079.db2.gz LZFOEDQYHUBGPP-CABZTGNLSA-N -1 3 337.357 2.185 10 5 EEBEHM CC(C)[C@H](C)NC(=O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596098574 469153731 /nfs/dbraw/zinc/15/37/31/469153731.db2.gz RTAOBXJBPPUSEL-NSHDSACASA-N -1 3 336.392 2.073 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599370464 469232251 /nfs/dbraw/zinc/23/22/51/469232251.db2.gz IHZXIPDFGZSKPC-GRYCIOLGSA-N -1 3 340.401 2.318 10 5 EEBEHM O=c1[n-]ccc(N2Cc3cccnc3N3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000866253381 1201476428 /nfs/dbraw/zinc/47/64/28/1201476428.db2.gz YAPXZTNHJPKIOD-LBPRGKRZSA-N -1 3 327.344 2.079 10 5 EEBEHM COc1cccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000778252136 1207982416 /nfs/dbraw/zinc/98/24/16/1207982416.db2.gz PHZUVRZQSDNPQL-UHFFFAOYSA-N -1 3 337.282 2.407 10 5 EEBEHM CCC(F)(F)C(=O)[N-][C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000863298879 1296207479 /nfs/dbraw/zinc/20/74/79/1296207479.db2.gz AOJPRAXSOWUUAD-ZDUSSCGKSA-N -1 3 330.287 2.145 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001149680289 1316012720 /nfs/dbraw/zinc/01/27/20/1316012720.db2.gz TXVJIPDOEWZNJT-UHFFFAOYSA-N -1 3 348.746 2.137 10 5 EEBEHM NC(=O)Cn1ccc([N-]c2c(Cl)c(Cl)ccc2[N+](=O)[O-])n1 ZINC001162418187 1320851118 /nfs/dbraw/zinc/85/11/18/1320851118.db2.gz WKTMVHGMAUOMPS-UHFFFAOYSA-N -1 3 330.131 2.327 10 5 EEBEHM Cc1csc(NC(=O)CSc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001163144593 1321050513 /nfs/dbraw/zinc/05/05/13/1321050513.db2.gz AUFYOFSBVMGOTK-UHFFFAOYSA-N -1 3 326.359 2.191 10 5 EEBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc2n1CCCC2 ZINC001623715476 1352403263 /nfs/dbraw/zinc/40/32/63/1352403263.db2.gz XIPVZVPWQCYVEH-UHFFFAOYSA-N -1 3 331.332 2.174 10 5 EEBEHM Nc1cc(CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccn1 ZINC001654068674 1354140058 /nfs/dbraw/zinc/14/00/58/1354140058.db2.gz DUVGGJIZHLLJAO-UHFFFAOYSA-N -1 3 330.344 2.030 10 5 EEBEHM O=c1[n-]c(CNc2cc(Cl)ccc2[N+](=O)[O-])nc2c1COCC2 ZINC001655788364 1354184576 /nfs/dbraw/zinc/18/45/76/1354184576.db2.gz RWCCTETWSQLGJE-UHFFFAOYSA-N -1 3 336.735 2.429 10 5 EEBEHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000792622099 809894100 /nfs/dbraw/zinc/89/41/00/809894100.db2.gz YRPGDOFXOSWWAU-UHFFFAOYSA-N -1 3 339.710 2.347 10 5 EEBEHM C[C@@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccc([N+](=O)[O-])cc1F ZINC001438686971 1091186088 /nfs/dbraw/zinc/18/60/88/1091186088.db2.gz OXDFUGAUYHTLBO-SECBINFHSA-N -1 3 346.318 2.312 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])on1 ZINC001533840972 1123265717 /nfs/dbraw/zinc/26/57/17/1123265717.db2.gz KINGNDBCRQKODC-UHFFFAOYSA-N -1 3 337.313 2.344 10 5 EEBEHM O=C(Nc1ncn(C2CCCCC2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193944888 240375153 /nfs/dbraw/zinc/37/51/53/240375153.db2.gz JYDNSAWKVMOARK-UHFFFAOYSA-N -1 3 332.320 2.044 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC(C)(C)C1 ZINC000336859178 160561685 /nfs/dbraw/zinc/56/16/85/160561685.db2.gz FPPITSZKQAHWTA-JTQLQIEISA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1ccc([O-])c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000093534299 159235922 /nfs/dbraw/zinc/23/59/22/159235922.db2.gz LWKKEPAJPMWMMV-LBPRGKRZSA-N -1 3 329.360 2.085 10 5 EEBEHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520175208 316842505 /nfs/dbraw/zinc/84/25/05/316842505.db2.gz OOXKXORMNZZJEG-UHFFFAOYSA-N -1 3 336.797 2.342 10 5 EEBEHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000276988178 463832267 /nfs/dbraw/zinc/83/22/67/463832267.db2.gz GJQMHKNTEHXQSL-UHFFFAOYSA-N -1 3 344.389 2.096 10 5 EEBEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269526320 464009368 /nfs/dbraw/zinc/00/93/68/464009368.db2.gz RFRAYOMFZAOSBW-UHFFFAOYSA-N -1 3 329.320 2.045 10 5 EEBEHM Cc1ccnc([N-]c2cnn(CC(=O)NC3CCCC3)c2)c1[N+](=O)[O-] ZINC000301257406 465931539 /nfs/dbraw/zinc/93/15/39/465931539.db2.gz DSDVRYGOMDVZQV-UHFFFAOYSA-N -1 3 344.375 2.297 10 5 EEBEHM NC(=O)c1cc([N+](=O)[O-])cnc1[N-]c1cnn(-c2ccccc2F)c1 ZINC000301611490 465995765 /nfs/dbraw/zinc/99/57/65/465995765.db2.gz RLMMDSRZSSPUDF-UHFFFAOYSA-N -1 3 342.290 2.157 10 5 EEBEHM CCc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)ccc1[O-] ZINC000362982683 466159737 /nfs/dbraw/zinc/15/97/37/466159737.db2.gz OSQHGOFRCZGDAX-UHFFFAOYSA-N -1 3 327.340 2.456 10 5 EEBEHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1cnns1 ZINC000347274254 466526962 /nfs/dbraw/zinc/52/69/62/466526962.db2.gz FENUZGTYCCPIDK-UHFFFAOYSA-N -1 3 329.135 2.461 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000420727910 467465046 /nfs/dbraw/zinc/46/50/46/467465046.db2.gz OWXYDOQDNSMVSX-GXSJLCMTSA-N -1 3 348.808 2.484 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000592106050 468625988 /nfs/dbraw/zinc/62/59/88/468625988.db2.gz NVBKQPTVOAGJFE-UHFFFAOYSA-N -1 3 346.380 2.410 10 5 EEBEHM Cc1ccncc1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594820035 468696668 /nfs/dbraw/zinc/69/66/68/468696668.db2.gz YSWMEKCLLAHRHK-UHFFFAOYSA-N -1 3 349.412 2.436 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCN(C)C2CCCC2)c([N+](=O)[O-])s1 ZINC000601337889 468831807 /nfs/dbraw/zinc/83/18/07/468831807.db2.gz JYFNUTRFMXQFLO-UHFFFAOYSA-N -1 3 347.462 2.117 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000603640129 469420352 /nfs/dbraw/zinc/42/03/52/469420352.db2.gz MGYWUXOWMWEKJK-UHFFFAOYSA-N -1 3 346.748 2.328 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCSC ZINC000736347044 578197880 /nfs/dbraw/zinc/19/78/80/578197880.db2.gz PLJFOMZANSMNJA-VIFPVBQESA-N -1 3 334.419 2.023 10 5 EEBEHM CCO[C@H](C)c1ncc(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)s1 ZINC001272507337 1190857206 /nfs/dbraw/zinc/85/72/06/1190857206.db2.gz YVNSYHDLWBROOV-SSDOTTSWSA-N -1 3 325.350 2.135 10 5 EEBEHM O=C([N-]OCc1ccccn1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001626091288 1194394545 /nfs/dbraw/zinc/39/45/45/1194394545.db2.gz SAXRZOUENPEBLJ-UHFFFAOYSA-N -1 3 340.295 2.105 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCS2)c(F)c1 ZINC000867662471 1201653619 /nfs/dbraw/zinc/65/36/19/1201653619.db2.gz HPRMVJNMKUHXMR-JTQLQIEISA-N -1 3 334.394 2.298 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[n-]n1 ZINC001153263609 1316800550 /nfs/dbraw/zinc/80/05/50/1316800550.db2.gz AWUWVCVRFDANRT-UHFFFAOYSA-N -1 3 338.707 2.400 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[n-]1 ZINC001153263609 1316800553 /nfs/dbraw/zinc/80/05/53/1316800553.db2.gz AWUWVCVRFDANRT-UHFFFAOYSA-N -1 3 338.707 2.400 10 5 EEBEHM COc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC001164262812 1321333891 /nfs/dbraw/zinc/33/38/91/1321333891.db2.gz WZOQJNSEOAXJPW-UHFFFAOYSA-N -1 3 346.343 2.073 10 5 EEBEHM CC(C)(C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccccc1[N+](=O)[O-] ZINC001288088133 1327627178 /nfs/dbraw/zinc/62/71/78/1327627178.db2.gz KTDWXIFFWYYSFW-UHFFFAOYSA-N -1 3 342.355 2.347 10 5 EEBEHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)nc(C)c1 ZINC001319361692 1332690471 /nfs/dbraw/zinc/69/04/71/1332690471.db2.gz RSDDQMGETLMGCO-UHFFFAOYSA-N -1 3 335.385 2.392 10 5 EEBEHM O=[N+]([O-])c1ccc(Cl)c(CN2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001460718028 1110321933 /nfs/dbraw/zinc/32/19/33/1110321933.db2.gz PXJSAJCJNQIPCP-UHFFFAOYSA-N -1 3 336.783 2.216 10 5 EEBEHM COCc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000605 215003534 /nfs/dbraw/zinc/00/35/34/215003534.db2.gz FICZBPZTCHDICJ-UHFFFAOYSA-N -1 3 342.398 2.281 10 5 EEBEHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272477747 274173491 /nfs/dbraw/zinc/17/34/91/274173491.db2.gz QIYVHPWCAIMEAT-UHFFFAOYSA-N -1 3 338.345 2.127 10 5 EEBEHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442821976 315213548 /nfs/dbraw/zinc/21/35/48/315213548.db2.gz OBMIZBHXPSGDKF-UHFFFAOYSA-N -1 3 346.221 2.034 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000525351312 317057242 /nfs/dbraw/zinc/05/72/42/317057242.db2.gz XDTOLGQNLYBDEQ-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000525351312 317057245 /nfs/dbraw/zinc/05/72/45/317057245.db2.gz XDTOLGQNLYBDEQ-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000337186326 465232962 /nfs/dbraw/zinc/23/29/62/465232962.db2.gz OXEOIFNWNPYCBD-NSHDSACASA-N -1 3 343.405 2.382 10 5 EEBEHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2COc3ccccc32)c1 ZINC000152747832 462576645 /nfs/dbraw/zinc/57/66/45/462576645.db2.gz SHNSFQAORZUXDU-CQSZACIVSA-N -1 3 334.353 2.148 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000063186982 462633003 /nfs/dbraw/zinc/63/30/03/462633003.db2.gz HFRFCYRDFXBGCJ-KGLIPLIRSA-N -1 3 348.380 2.438 10 5 EEBEHM COc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064241028 462689313 /nfs/dbraw/zinc/68/93/13/462689313.db2.gz VNIIQAQCXUXMJO-UHFFFAOYSA-N -1 3 328.371 2.143 10 5 EEBEHM O=C([O-])[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000263095932 464057475 /nfs/dbraw/zinc/05/74/75/464057475.db2.gz YXHIFBQLCJHSSG-VXGBXAGGSA-N -1 3 348.277 2.169 10 5 EEBEHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000187850524 464167704 /nfs/dbraw/zinc/16/77/04/464167704.db2.gz GNXHPFOXOHIBAA-UHFFFAOYSA-N -1 3 346.361 2.283 10 5 EEBEHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183676967 464897447 /nfs/dbraw/zinc/89/74/47/464897447.db2.gz WLVRZVQMBCPSPM-SECBINFHSA-N -1 3 336.797 2.260 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000362907861 466115115 /nfs/dbraw/zinc/11/51/15/466115115.db2.gz CBEUNHFHVMBALT-GCZXYKMCSA-N -1 3 340.401 2.460 10 5 EEBEHM O=C(NC[C@H]1CCN1C1CCCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600228502 468502168 /nfs/dbraw/zinc/50/21/68/468502168.db2.gz CCYFJWJGSXKRPW-CYBMUJFWSA-N -1 3 333.388 2.437 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCO1 ZINC000420715764 467461255 /nfs/dbraw/zinc/46/12/55/467461255.db2.gz BDUMQUFUWVFYLE-STQMWFEESA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000518856375 468128751 /nfs/dbraw/zinc/12/87/51/468128751.db2.gz VDKCJMHMJZEGKK-UHFFFAOYSA-N -1 3 338.327 2.190 10 5 EEBEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594802690 468692513 /nfs/dbraw/zinc/69/25/13/468692513.db2.gz YZPAHQYSGJHMQH-LLVKDONJSA-N -1 3 346.380 2.217 10 5 EEBEHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])CC(C)C ZINC000601444837 468876721 /nfs/dbraw/zinc/87/67/21/468876721.db2.gz ZNJCBYTVSPWQDP-SNVBAGLBSA-N -1 3 336.435 2.304 10 5 EEBEHM COc1cccc([C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)c1 ZINC000596168530 469184206 /nfs/dbraw/zinc/18/42/06/469184206.db2.gz ODDXIACNWCJZPW-CQSZACIVSA-N -1 3 331.328 2.282 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)cc1C ZINC000599364157 469228961 /nfs/dbraw/zinc/22/89/61/469228961.db2.gz HUVYAQGWGSZLKZ-CYBMUJFWSA-N -1 3 342.417 2.307 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000599370764 469232140 /nfs/dbraw/zinc/23/21/40/469232140.db2.gz KBESVZKMKBQKCJ-OUAUKWLOSA-N -1 3 328.365 2.448 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)cs1 ZINC000768793924 577562654 /nfs/dbraw/zinc/56/26/54/577562654.db2.gz NCBDJCWSHWRGSM-GFCCVEGCSA-N -1 3 338.410 2.492 10 5 EEBEHM O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001189416086 1280304095 /nfs/dbraw/zinc/30/40/95/1280304095.db2.gz IVHFMHLICIVAOI-UHFFFAOYSA-N -1 3 332.194 2.472 10 5 EEBEHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(Cn2ccnn2)o1 ZINC001352634550 1338012322 /nfs/dbraw/zinc/01/23/22/1338012322.db2.gz KPSKJCIPJFJMJX-UHFFFAOYSA-N -1 3 331.263 2.219 10 5 EEBEHM CCn1cc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)cn1 ZINC000848584331 1338724671 /nfs/dbraw/zinc/72/46/71/1338724671.db2.gz UXBUAMJEUTZYQK-UHFFFAOYSA-N -1 3 340.286 2.099 10 5 EEBEHM Cc1cc(F)cc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1[N+](=O)[O-] ZINC001462320250 1110355949 /nfs/dbraw/zinc/35/59/49/1110355949.db2.gz QQGKDEBKUWKCEI-UHFFFAOYSA-N -1 3 332.291 2.131 10 5 EEBEHM CSc1ccc(C(=O)NCc2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC001469724450 1110496297 /nfs/dbraw/zinc/49/62/97/1110496297.db2.gz NEKMFGPIJWTNBH-UHFFFAOYSA-N -1 3 334.357 2.051 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(OC)c(F)c2)n1 ZINC000191561145 256005967 /nfs/dbraw/zinc/00/59/67/256005967.db2.gz CNTLWOBLBIZHDN-UHFFFAOYSA-N -1 3 326.259 2.350 10 5 EEBEHM CN(C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000355482708 163205118 /nfs/dbraw/zinc/20/51/18/163205118.db2.gz WKHJAMOULSOJNA-CQSZACIVSA-N -1 3 329.356 2.333 10 5 EEBEHM O=[N+]([O-])c1cnc(NCc2ncccc2[O-])c(Br)c1 ZINC000359910490 164195337 /nfs/dbraw/zinc/19/53/37/164195337.db2.gz ZXZHCOFSNFRBTE-UHFFFAOYSA-N -1 3 325.122 2.465 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000190171115 301555892 /nfs/dbraw/zinc/55/58/92/301555892.db2.gz IFGKETBQYHBPNM-GFCCVEGCSA-N -1 3 342.417 2.448 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000067877454 463062027 /nfs/dbraw/zinc/06/20/27/463062027.db2.gz OLSZKJYTQAHXLR-KBPBESRZSA-N -1 3 348.380 2.438 10 5 EEBEHM O=C(Nc1nc(-c2ccccn2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121677948 463176574 /nfs/dbraw/zinc/17/65/74/463176574.db2.gz FSLLJBUSEJADFF-UHFFFAOYSA-N -1 3 343.324 2.466 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000180603080 464346616 /nfs/dbraw/zinc/34/66/16/464346616.db2.gz INEUINPIROGUMU-UHFFFAOYSA-N -1 3 327.749 2.122 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)c1C ZINC000188755039 464361594 /nfs/dbraw/zinc/36/15/94/464361594.db2.gz NVHVQVPSLXBOCT-LBPRGKRZSA-N -1 3 342.417 2.448 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCO1 ZINC000420720768 467462920 /nfs/dbraw/zinc/46/29/20/467462920.db2.gz HLMNXVTZHHDKLB-QWHCGFSZSA-N -1 3 342.417 2.448 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000594487226 468605261 /nfs/dbraw/zinc/60/52/61/468605261.db2.gz LUEMAPABNURJNY-SECBINFHSA-N -1 3 349.359 2.482 10 5 EEBEHM CC(C)(C)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793960 468688274 /nfs/dbraw/zinc/68/82/74/468688274.db2.gz XLRYZYCVQQGVFN-JTQLQIEISA-N -1 3 347.462 2.055 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000599370763 469232342 /nfs/dbraw/zinc/23/23/42/469232342.db2.gz KBESVZKMKBQKCJ-MXWKQRLJSA-N -1 3 328.365 2.448 10 5 EEBEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001649087703 1193511195 /nfs/dbraw/zinc/51/11/95/1193511195.db2.gz PLSCWIRGSDIRNO-NSHDSACASA-N -1 3 344.371 2.251 10 5 EEBEHM CSCCO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867926531 1201707200 /nfs/dbraw/zinc/70/72/00/1201707200.db2.gz QSLDTXDEHFXUDH-UHFFFAOYSA-N -1 3 349.206 2.311 10 5 EEBEHM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000779948133 1211922033 /nfs/dbraw/zinc/92/20/33/1211922033.db2.gz PFGYNARFFZZXJZ-UHFFFAOYSA-N -1 3 339.695 2.451 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001138644846 1314639159 /nfs/dbraw/zinc/63/91/59/1314639159.db2.gz PUXWQTBBDWISFH-UHFFFAOYSA-N -1 3 343.265 2.279 10 5 EEBEHM Cc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC001302609055 1331330792 /nfs/dbraw/zinc/33/07/92/1331330792.db2.gz QYMDYTSMMJNVEE-UHFFFAOYSA-N -1 3 338.323 2.482 10 5 EEBEHM Cc1cc(NCc2nc3c(c(=O)[n-]2)COCC3)c(F)cc1[N+](=O)[O-] ZINC001643091859 1352740449 /nfs/dbraw/zinc/74/04/49/1352740449.db2.gz QDLOKBFXUDXWPN-UHFFFAOYSA-N -1 3 334.307 2.223 10 5 EEBEHM C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001647881935 1353406855 /nfs/dbraw/zinc/40/68/55/1353406855.db2.gz JJFXYDCIFIRYGY-RXMQYKEDSA-N -1 3 347.228 2.362 10 5 EEBEHM O=C(Nc1ccc2occc(=O)c2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001653935210 1354136523 /nfs/dbraw/zinc/13/65/23/1354136523.db2.gz WZVMSJHWOPDVGO-UHFFFAOYSA-N -1 3 327.252 2.054 10 5 EEBEHM CC(C)n1cnc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 ZINC000844736320 789362883 /nfs/dbraw/zinc/36/28/83/789362883.db2.gz YTTSSZFLPBZNDF-UHFFFAOYSA-N -1 3 336.327 2.225 10 5 EEBEHM COc1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000805143158 811157174 /nfs/dbraw/zinc/15/71/74/811157174.db2.gz DTKOKQPKPRECQO-LLVKDONJSA-N -1 3 336.316 2.070 10 5 EEBEHM Cc1cnc(NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)c([N+](=O)[O-])c1 ZINC001458653622 1109925848 /nfs/dbraw/zinc/92/58/48/1109925848.db2.gz HQVOAIKSCYVRIN-UHFFFAOYSA-N -1 3 344.375 2.183 10 5 EEBEHM COc1cc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc([N+](=O)[O-])c1C ZINC001535579087 1123580195 /nfs/dbraw/zinc/58/01/95/1123580195.db2.gz BQJSTOMJHOQCJE-UHFFFAOYSA-N -1 3 344.327 2.000 10 5 EEBEHM NC(=O)c1cc([N+](=O)[O-])cnc1[N-]c1cnn(Cc2ccccc2)c1 ZINC000044977048 202540584 /nfs/dbraw/zinc/54/05/84/202540584.db2.gz JMSCVIYUMHVDFP-UHFFFAOYSA-N -1 3 338.327 2.077 10 5 EEBEHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1csnn1 ZINC000356747644 284273900 /nfs/dbraw/zinc/27/39/00/284273900.db2.gz SXHXTXFDIKQIJM-UHFFFAOYSA-N -1 3 329.135 2.461 10 5 EEBEHM CN(C)c1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000272896322 256247503 /nfs/dbraw/zinc/24/75/03/256247503.db2.gz YRTOVASLYQDBCJ-UHFFFAOYSA-N -1 3 342.402 2.264 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2scc(C)c2C(=O)OC)n1 ZINC000345022743 161264791 /nfs/dbraw/zinc/26/47/91/161264791.db2.gz LAQDQCSIONZWIT-UHFFFAOYSA-N -1 3 338.345 2.220 10 5 EEBEHM CCC[C@@]1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCOC1 ZINC000352329496 162091043 /nfs/dbraw/zinc/09/10/43/162091043.db2.gz KZUNWJYXZUOTHX-OAHLLOKOSA-N -1 3 342.417 2.449 10 5 EEBEHM CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ncccc2[O-])cc1OC ZINC000352499675 162159192 /nfs/dbraw/zinc/15/91/92/162159192.db2.gz HGPHFBVUSWDPHY-UHFFFAOYSA-N -1 3 347.327 2.033 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1O ZINC000158321703 463226236 /nfs/dbraw/zinc/22/62/36/463226236.db2.gz VCPUVGOMPNCAQS-BXKDBHETSA-N -1 3 348.808 2.078 10 5 EEBEHM CCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272219435 464524045 /nfs/dbraw/zinc/52/40/45/464524045.db2.gz NGJIMYFOHHKZKG-UHFFFAOYSA-N -1 3 330.287 2.145 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000338146061 465849492 /nfs/dbraw/zinc/84/94/92/465849492.db2.gz CNZVLHWMPWIGPJ-UHFFFAOYSA-N -1 3 342.398 2.186 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000320078029 466602533 /nfs/dbraw/zinc/60/25/33/466602533.db2.gz XLVKXUROCHEKCO-MWLCHTKSSA-N -1 3 348.808 2.078 10 5 EEBEHM CC1(c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)no2)CCCC1 ZINC000448410100 467591390 /nfs/dbraw/zinc/59/13/90/467591390.db2.gz CTEAGCXSQXGGKR-UHFFFAOYSA-N -1 3 332.316 2.767 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601501389 468896193 /nfs/dbraw/zinc/89/61/93/468896193.db2.gz NGDOBYVULMANDF-YMTOWFKASA-N -1 3 344.364 2.354 10 5 EEBEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000593625846 469066077 /nfs/dbraw/zinc/06/60/77/469066077.db2.gz BXSYWIKJFUTUAC-GWCFXTLKSA-N -1 3 344.433 2.287 10 5 EEBEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765166284 577496274 /nfs/dbraw/zinc/49/62/74/577496274.db2.gz LVYMYQDJLBPUOT-YUMQZZPRSA-N -1 3 349.206 2.292 10 5 EEBEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1(F)F ZINC000851819404 1291859192 /nfs/dbraw/zinc/85/91/92/1291859192.db2.gz CGKOBEAHHMDUFV-SSDOTTSWSA-N -1 3 326.346 2.226 10 5 EEBEHM C[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001628247099 1352527077 /nfs/dbraw/zinc/52/70/77/1352527077.db2.gz VMXSRXYTQXMUII-ZJUUUORDSA-N -1 3 348.334 2.282 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC001648018716 1353413499 /nfs/dbraw/zinc/41/34/99/1353413499.db2.gz CECVZLFULYXTAT-UHFFFAOYSA-N -1 3 346.368 2.033 10 5 EEBEHM CCS(=O)(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001655433345 1354173256 /nfs/dbraw/zinc/17/32/56/1354173256.db2.gz CZCGXLCSEJWIHK-UHFFFAOYSA-N -1 3 337.357 2.101 10 5 EEBEHM COc1cc(NCCCc2c[n-][nH]c2=O)c(Cl)cc1[N+](=O)[O-] ZINC001458518525 1109885224 /nfs/dbraw/zinc/88/52/24/1109885224.db2.gz WFVNIGHBWRSPOK-MRVPVSSYSA-N -1 3 326.740 2.181 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2ncc(OC)cc2F)cc([N+](=O)[O-])c1 ZINC001538670627 1124034760 /nfs/dbraw/zinc/03/47/60/1124034760.db2.gz JJOGXOQLJNXPAQ-UHFFFAOYSA-N -1 3 349.274 2.176 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000451961783 243327010 /nfs/dbraw/zinc/32/70/10/243327010.db2.gz UDQZGMIBOHIECC-UHFFFAOYSA-N -1 3 339.373 2.322 10 5 EEBEHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CN1CCCCC1 ZINC000066333738 158998594 /nfs/dbraw/zinc/99/85/94/158998594.db2.gz OFWPTWWAIQZYAW-NSHDSACASA-N -1 3 347.462 2.057 10 5 EEBEHM Cc1sc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000110787374 159362617 /nfs/dbraw/zinc/36/26/17/159362617.db2.gz PZDULWBMQKWBRO-UHFFFAOYSA-N -1 3 344.356 2.075 10 5 EEBEHM Cc1sc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000110787374 159362619 /nfs/dbraw/zinc/36/26/19/159362619.db2.gz PZDULWBMQKWBRO-UHFFFAOYSA-N -1 3 344.356 2.075 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C)C1 ZINC000360366138 164293739 /nfs/dbraw/zinc/29/37/39/164293739.db2.gz ZHOIGMXUMHVUOK-MNOVXSKESA-N -1 3 328.390 2.318 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C)C2)c1 ZINC000272464905 274171705 /nfs/dbraw/zinc/17/17/05/274171705.db2.gz MCAXZAVJTQINBX-ZJUUUORDSA-N -1 3 348.808 2.402 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000416560661 313258223 /nfs/dbraw/zinc/25/82/23/313258223.db2.gz QYDRFNYOSXYTOM-USWWRNFRSA-N -1 3 326.374 2.070 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOC(C)(C)C)c1[N+](=O)[O-] ZINC000565397478 319178369 /nfs/dbraw/zinc/17/83/69/319178369.db2.gz LELJKFODCVXYGC-UHFFFAOYSA-N -1 3 330.406 2.305 10 5 EEBEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000581948612 324349259 /nfs/dbraw/zinc/34/92/59/324349259.db2.gz SZGFDDSOMJAYMT-MFKMUULPSA-N -1 3 344.433 2.287 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127809352 462583773 /nfs/dbraw/zinc/58/37/73/462583773.db2.gz WTKPNVRPICPLEA-GXTWGEPZSA-N -1 3 342.417 2.204 10 5 EEBEHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000152883814 462592820 /nfs/dbraw/zinc/59/28/20/462592820.db2.gz LMUIQPFVFGBEJM-CMPLNLGQSA-N -1 3 328.390 2.460 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000067877260 463061910 /nfs/dbraw/zinc/06/19/10/463061910.db2.gz ICJFSDMJFHJSNC-UONOGXRCSA-N -1 3 348.380 2.438 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000057708634 463511713 /nfs/dbraw/zinc/51/17/13/463511713.db2.gz QHJXWNBAPMWHFD-CQSZACIVSA-N -1 3 332.381 2.431 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)c1 ZINC000180326937 464288145 /nfs/dbraw/zinc/28/81/45/464288145.db2.gz MVTCQSLBUGLHQG-SNVBAGLBSA-N -1 3 348.808 2.404 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000190003676 464583875 /nfs/dbraw/zinc/58/38/75/464583875.db2.gz QRUSMZCXKOHCSR-STQMWFEESA-N -1 3 342.417 2.041 10 5 EEBEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594477918 468600370 /nfs/dbraw/zinc/60/03/70/468600370.db2.gz CEXLIOCVIBSMGR-LLVKDONJSA-N -1 3 330.406 2.324 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594489351 468606934 /nfs/dbraw/zinc/60/69/34/468606934.db2.gz ZKSUPUPAGAVMEU-STQMWFEESA-N -1 3 346.380 2.360 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594854074 468707065 /nfs/dbraw/zinc/70/70/65/468707065.db2.gz XMYJRXQZWAZTNI-MDZLAQPJSA-N -1 3 340.401 2.318 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C2CC2)nc1 ZINC000593608850 469057546 /nfs/dbraw/zinc/05/75/46/469057546.db2.gz RKQJVFUTMSNAQM-DGCLKSJQSA-N -1 3 325.390 2.094 10 5 EEBEHM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CO2 ZINC000599375149 469235047 /nfs/dbraw/zinc/23/50/47/469235047.db2.gz LNQRZXAMRDSRQK-LBPRGKRZSA-N -1 3 348.380 2.185 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@]2(C)C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000599480293 469270707 /nfs/dbraw/zinc/27/07/07/469270707.db2.gz AQWSKXYVSSLTBN-QHBPRCKVSA-N -1 3 340.401 2.318 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)cs1 ZINC000768793926 577562661 /nfs/dbraw/zinc/56/26/61/577562661.db2.gz NCBDJCWSHWRGSM-LBPRGKRZSA-N -1 3 338.410 2.492 10 5 EEBEHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277486 577870455 /nfs/dbraw/zinc/87/04/55/577870455.db2.gz WMLCYTVCFHJFAF-JGVFFNPUSA-N -1 3 349.206 2.292 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1-c1ccon1 ZINC001264212265 1322667193 /nfs/dbraw/zinc/66/71/93/1322667193.db2.gz ZEUZGKJCXJIEOZ-UHFFFAOYSA-N -1 3 330.256 2.499 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001288087986 1327627789 /nfs/dbraw/zinc/62/77/89/1327627789.db2.gz IRJSWOLICKXASV-UHFFFAOYSA-N -1 3 328.328 2.300 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC001628213415 1352526035 /nfs/dbraw/zinc/52/60/35/1352526035.db2.gz IQTGEOOUXZHGIK-UHFFFAOYSA-N -1 3 330.344 2.372 10 5 EEBEHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001643203364 1352742328 /nfs/dbraw/zinc/74/23/28/1352742328.db2.gz QUFBBHZGJLBWAL-MWLCHTKSSA-N -1 3 338.364 2.363 10 5 EEBEHM Cc1[n-][nH]c(=O)c1CCNc1cccc(Br)c1[N+](=O)[O-] ZINC001655149718 1354166255 /nfs/dbraw/zinc/16/62/55/1354166255.db2.gz TUXIMQYKNIJZRJ-MRVPVSSYSA-N -1 3 341.165 2.281 10 5 EEBEHM O=c1[n-]c(CNc2ccc(Cl)cc2[N+](=O)[O-])nc2c1COCC2 ZINC001655787895 1354184612 /nfs/dbraw/zinc/18/46/12/1354184612.db2.gz HADCUBNGVZDHLK-UHFFFAOYSA-N -1 3 336.735 2.429 10 5 EEBEHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502913 789890945 /nfs/dbraw/zinc/89/09/45/789890945.db2.gz PRGKBXYLKOLRMH-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC001525718128 1120349860 /nfs/dbraw/zinc/34/98/60/1120349860.db2.gz UQBXHNHACIUUON-UHFFFAOYSA-N -1 3 334.094 2.422 10 5 EEBEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC(C)C ZINC000273566350 201259121 /nfs/dbraw/zinc/25/91/21/201259121.db2.gz NSIKELJAUCBNHL-SNVBAGLBSA-N -1 3 344.389 2.094 10 5 EEBEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC=C(C)C ZINC000276894298 201299101 /nfs/dbraw/zinc/29/91/01/201299101.db2.gz URQQBOYJRMOGFD-UHFFFAOYSA-N -1 3 342.373 2.016 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451607800 243174796 /nfs/dbraw/zinc/17/47/96/243174796.db2.gz LNWMYOZFXRGUFF-UHFFFAOYSA-N -1 3 342.417 2.388 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC[C@@H]2C)c1 ZINC000277629569 269165113 /nfs/dbraw/zinc/16/51/13/269165113.db2.gz CDGSNNCNWZZOMN-VHSXEESVSA-N -1 3 348.808 2.260 10 5 EEBEHM CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000181836498 274008784 /nfs/dbraw/zinc/00/87/84/274008784.db2.gz IYLRNFYGKGSWAI-OAHLLOKOSA-N -1 3 329.356 2.333 10 5 EEBEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000193820800 276178856 /nfs/dbraw/zinc/17/88/56/276178856.db2.gz SHFOXCZNYJMRIX-JTQLQIEISA-N -1 3 347.824 2.011 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000337173259 465226955 /nfs/dbraw/zinc/22/69/55/465226955.db2.gz HCARNEMUJVGQJT-JTQLQIEISA-N -1 3 329.378 2.135 10 5 EEBEHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131266548 462801349 /nfs/dbraw/zinc/80/13/49/462801349.db2.gz WZCVDUIJHRQDLM-SNVBAGLBSA-N -1 3 349.840 2.257 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000167593504 463663054 /nfs/dbraw/zinc/66/30/54/463663054.db2.gz HWHZDFCCKOCRMZ-YPMHNXCESA-N -1 3 348.380 2.438 10 5 EEBEHM CC(C)n1ncnc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000298995304 465558802 /nfs/dbraw/zinc/55/88/02/465558802.db2.gz PZZMCFDCLICKSC-UHFFFAOYSA-N -1 3 339.302 2.175 10 5 EEBEHM COc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)s1 ZINC000591299384 468442738 /nfs/dbraw/zinc/44/27/38/468442738.db2.gz BCTPIRUBPGWWKD-UHFFFAOYSA-N -1 3 338.345 2.494 10 5 EEBEHM O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600228258 468502040 /nfs/dbraw/zinc/50/20/40/468502040.db2.gz IILFZAPPXYIOQK-CQSZACIVSA-N -1 3 333.388 2.437 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601385192 468852553 /nfs/dbraw/zinc/85/25/53/468852553.db2.gz KHRJKJHEKWBWDI-PSASIEDQSA-N -1 3 334.419 2.058 10 5 EEBEHM COC1(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601421043 468866379 /nfs/dbraw/zinc/86/63/79/468866379.db2.gz AWCTYIZFHCPLOH-UHFFFAOYSA-N -1 3 334.419 2.202 10 5 EEBEHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593534573 469021406 /nfs/dbraw/zinc/02/14/06/469021406.db2.gz LZFOEDQYHUBGPP-SKDRFNHKSA-N -1 3 337.357 2.185 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599459995 469265926 /nfs/dbraw/zinc/26/59/26/469265926.db2.gz PERGOVVLJSFBRC-LOKDSWTASA-N -1 3 348.808 2.338 10 5 EEBEHM O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)c1ccccc1[O-] ZINC001670746437 1178288389 /nfs/dbraw/zinc/28/83/89/1178288389.db2.gz NKPOUUUUUYNDGV-UHFFFAOYSA-N -1 3 347.396 2.414 10 5 EEBEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127746 1199323528 /nfs/dbraw/zinc/32/35/28/1199323528.db2.gz AWNNNKKVIFYKSL-IUCAKERBSA-N -1 3 341.249 2.474 10 5 EEBEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127746 1199323536 /nfs/dbraw/zinc/32/35/36/1199323536.db2.gz AWNNNKKVIFYKSL-IUCAKERBSA-N -1 3 341.249 2.474 10 5 EEBEHM COc1cc(OC)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(OC)c1 ZINC000853191729 1292315278 /nfs/dbraw/zinc/31/52/78/1292315278.db2.gz AZURTPLAHKPBAM-UHFFFAOYSA-N -1 3 335.316 2.333 10 5 EEBEHM CN(CC(=O)Nc1ccccc1Cl)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001162083657 1320742879 /nfs/dbraw/zinc/74/28/79/1320742879.db2.gz BDYNRXJLVCMQNZ-UHFFFAOYSA-N -1 3 336.735 2.424 10 5 EEBEHM O=c1cc(CNc2nc3ccccn3c2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001164145610 1321302872 /nfs/dbraw/zinc/30/28/72/1321302872.db2.gz DFZMSZVJWWPWOK-UHFFFAOYSA-N -1 3 326.316 2.228 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)c([N+](=O)[O-])s1 ZINC001331986788 1335696767 /nfs/dbraw/zinc/69/67/67/1335696767.db2.gz MYACFRFHFJYQPX-UHFFFAOYSA-N -1 3 346.430 2.202 10 5 EEBEHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OCc1ccccn1 ZINC001637586641 1352679004 /nfs/dbraw/zinc/67/90/04/1352679004.db2.gz DURCZYAWNOWPEF-UHFFFAOYSA-N -1 3 346.299 2.079 10 5 EEBEHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001647815355 1353403435 /nfs/dbraw/zinc/40/34/35/1353403435.db2.gz NEHDWZCAWGMXFH-UHFFFAOYSA-N -1 3 347.331 2.177 10 5 EEBEHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001647815355 1353403437 /nfs/dbraw/zinc/40/34/37/1353403437.db2.gz NEHDWZCAWGMXFH-UHFFFAOYSA-N -1 3 347.331 2.177 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c1 ZINC001651413768 1354051932 /nfs/dbraw/zinc/05/19/32/1354051932.db2.gz ONXXEWBXUVTKRQ-GFCCVEGCSA-N -1 3 329.360 2.398 10 5 EEBEHM Cc1[n-][nH]c(=O)c1CCNc1cccc(Br)c1[N+](=O)[O-] ZINC001655149719 1354166517 /nfs/dbraw/zinc/16/65/17/1354166517.db2.gz TUXIMQYKNIJZRJ-QMMMGPOBSA-N -1 3 341.165 2.281 10 5 EEBEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000921714580 795590115 /nfs/dbraw/zinc/59/01/15/795590115.db2.gz FFZLFBQIJNBKNK-IUCAKERBSA-N -1 3 334.394 2.296 10 5 EEBEHM COc1ccc2c(c1)CCCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001540654138 1124089471 /nfs/dbraw/zinc/08/94/71/1124089471.db2.gz QBUJHEASYYMKPS-UHFFFAOYSA-N -1 3 329.312 2.297 10 5 EEBEHM O=C([O-])[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000262904114 152336967 /nfs/dbraw/zinc/33/69/67/152336967.db2.gz DYFGUFQFBUDYAZ-VXGBXAGGSA-N -1 3 348.277 2.169 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000067877646 159014299 /nfs/dbraw/zinc/01/42/99/159014299.db2.gz HFRFCYRDFXBGCJ-UONOGXRCSA-N -1 3 348.380 2.438 10 5 EEBEHM CC(C)(C(=O)NCc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000352506987 162162717 /nfs/dbraw/zinc/16/27/17/162162717.db2.gz JAWBQUVBKLMZCJ-UHFFFAOYSA-N -1 3 333.319 2.429 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)C(C)C ZINC000416549140 313254087 /nfs/dbraw/zinc/25/40/87/313254087.db2.gz OHNJYTBOMILOOQ-KBPBESRZSA-N -1 3 328.390 2.316 10 5 EEBEHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000152883490 462591599 /nfs/dbraw/zinc/59/15/99/462591599.db2.gz LMUIQPFVFGBEJM-PWSUYJOCSA-N -1 3 328.390 2.460 10 5 EEBEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269165035 463895625 /nfs/dbraw/zinc/89/56/25/463895625.db2.gz FBTVTDWORSPELN-HNNXBMFYSA-N -1 3 343.383 2.203 10 5 EEBEHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189146809 464445073 /nfs/dbraw/zinc/44/50/73/464445073.db2.gz FQBDWLCGPIOZJI-JTQLQIEISA-N -1 3 337.357 2.038 10 5 EEBEHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2noc3ccccc32)c1 ZINC000347394294 466607959 /nfs/dbraw/zinc/60/79/59/466607959.db2.gz XSOBXKQUCVSTRN-UHFFFAOYSA-N -1 3 347.352 2.356 10 5 EEBEHM Cn1nc(-c2ccsc2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000428067000 467200107 /nfs/dbraw/zinc/20/01/07/467200107.db2.gz PITXXNJXLGEHQQ-UHFFFAOYSA-N -1 3 345.340 2.410 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCO1 ZINC000420717604 467462128 /nfs/dbraw/zinc/46/21/28/467462128.db2.gz DIUOITRCWIBFCI-STQMWFEESA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000569615780 468519507 /nfs/dbraw/zinc/51/95/07/468519507.db2.gz YKLVIIKWJHMJFV-UHFFFAOYSA-N -1 3 349.368 2.499 10 5 EEBEHM CCCN(C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381478 468833547 /nfs/dbraw/zinc/83/35/47/468833547.db2.gz MGXVYWPSUXSYBP-UHFFFAOYSA-N -1 3 335.451 2.055 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)COCC2CC2)c([N+](=O)[O-])s1 ZINC000601455481 468881295 /nfs/dbraw/zinc/88/12/95/468881295.db2.gz GJDKFRIERJWGEL-MRVPVSSYSA-N -1 3 334.419 2.058 10 5 EEBEHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000596287233 469233125 /nfs/dbraw/zinc/23/31/25/469233125.db2.gz YWBXEICMIRWBTO-GHMZBOCLSA-N -1 3 337.376 2.500 10 5 EEBEHM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CO2 ZINC000599375148 469235416 /nfs/dbraw/zinc/23/54/16/469235416.db2.gz LNQRZXAMRDSRQK-GFCCVEGCSA-N -1 3 348.380 2.185 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1C ZINC000599459852 469265230 /nfs/dbraw/zinc/26/52/30/469265230.db2.gz ORYPXMSINFAYGB-FJJYHAOUSA-N -1 3 342.417 2.302 10 5 EEBEHM COc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000609455257 469929101 /nfs/dbraw/zinc/92/91/01/469929101.db2.gz IXHYKHMNMWCACR-UHFFFAOYSA-N -1 3 332.312 2.118 10 5 EEBEHM Cc1csc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000416367817 534818307 /nfs/dbraw/zinc/81/83/07/534818307.db2.gz DKDPQHCANIMFKJ-UHFFFAOYSA-N -1 3 341.414 2.455 10 5 EEBEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCc1nc2ccccc2c2ccccc12 ZINC000751575140 577755556 /nfs/dbraw/zinc/75/55/56/577755556.db2.gz CVJGDQNEDPZISY-HNNXBMFYSA-N -1 3 349.346 2.029 10 5 EEBEHM COc1ccccc1[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000866234277 1201472732 /nfs/dbraw/zinc/47/27/32/1201472732.db2.gz KZZDAYACQYMETC-CQSZACIVSA-N -1 3 331.328 2.282 10 5 EEBEHM CCOC(=O)c1nc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])oc1C ZINC001585527215 1348805899 /nfs/dbraw/zinc/80/58/99/1348805899.db2.gz HXGQDPNUAVLNFC-UHFFFAOYSA-N -1 3 337.263 2.459 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(Br)s2)n1 ZINC001625306848 1352445622 /nfs/dbraw/zinc/44/56/22/1352445622.db2.gz JOPKWKIDELTUEP-UHFFFAOYSA-N -1 3 346.166 2.283 10 5 EEBEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001638548339 1352689466 /nfs/dbraw/zinc/68/94/66/1352689466.db2.gz APIAKMZZYPQRHT-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001638548339 1352689471 /nfs/dbraw/zinc/68/94/71/1352689471.db2.gz APIAKMZZYPQRHT-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2n1 ZINC001472622364 1110560795 /nfs/dbraw/zinc/56/07/95/1110560795.db2.gz KBBUDZIFZTYTGD-UHFFFAOYSA-N -1 3 331.313 2.261 10 5 EEBEHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC001568296374 1124410160 /nfs/dbraw/zinc/41/01/60/1124410160.db2.gz XESJLJZJEGXWKB-UHFFFAOYSA-N -1 3 339.311 2.442 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000451605263 243172946 /nfs/dbraw/zinc/17/29/46/243172946.db2.gz DNJZVVAILOQCRP-UHFFFAOYSA-N -1 3 348.446 2.450 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000277968939 269201934 /nfs/dbraw/zinc/20/19/34/269201934.db2.gz SNPNLQACELGBTN-GXSJLCMTSA-N -1 3 348.808 2.260 10 5 EEBEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436885695 315009466 /nfs/dbraw/zinc/00/94/66/315009466.db2.gz OSPRCXUCSXPCID-CQSZACIVSA-N -1 3 343.383 2.203 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCO2)c1 ZINC000182525153 464675689 /nfs/dbraw/zinc/67/56/89/464675689.db2.gz PVQODEVXMQPZQX-ONGXEEELSA-N -1 3 348.808 2.402 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2scc(C(=O)OC)c2C)n1 ZINC000191700846 464824468 /nfs/dbraw/zinc/82/44/68/464824468.db2.gz CPBGZVDLXPTSFJ-UHFFFAOYSA-N -1 3 338.345 2.220 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000494275552 468041630 /nfs/dbraw/zinc/04/16/30/468041630.db2.gz AJVWMPXZSAWBKD-SECBINFHSA-N -1 3 334.419 2.201 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000595381637 468833412 /nfs/dbraw/zinc/83/34/12/468833412.db2.gz XOWURECJSHJWJW-UHOFOFEASA-N -1 3 348.355 2.351 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601474617 468890006 /nfs/dbraw/zinc/89/00/06/468890006.db2.gz ROMBGHXZESHRPR-REIXXSIJSA-N -1 3 334.419 2.055 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1C ZINC000599459407 469265355 /nfs/dbraw/zinc/26/53/55/469265355.db2.gz JACCQAUPFIKFER-OPDFLTKYSA-N -1 3 342.417 2.302 10 5 EEBEHM CC(C)Oc1ncc(Cl)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000456207116 535077560 /nfs/dbraw/zinc/07/75/60/535077560.db2.gz RZJMWZSPVBZXQB-UHFFFAOYSA-N -1 3 339.739 2.416 10 5 EEBEHM O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2c(=O)[n-]cnc21 ZINC001132783340 1200022274 /nfs/dbraw/zinc/02/22/74/1200022274.db2.gz FULTVCWDMZNPTK-UHFFFAOYSA-N -1 3 334.719 2.337 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC001149678257 1316012863 /nfs/dbraw/zinc/01/28/63/1316012863.db2.gz CPXYEVTXXWNSBO-QWHCGFSZSA-N -1 3 340.339 2.045 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001164261807 1321334050 /nfs/dbraw/zinc/33/40/50/1321334050.db2.gz BFZBHTJKYJQTIV-UHFFFAOYSA-N -1 3 334.307 2.203 10 5 EEBEHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001651418679 1354052043 /nfs/dbraw/zinc/05/20/43/1354052043.db2.gz QZBDIAXHRZMEMH-UHFFFAOYSA-N -1 3 344.327 2.367 10 5 EEBEHM Cc1cnc(N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001472877376 1110565074 /nfs/dbraw/zinc/56/50/74/1110565074.db2.gz OHUXLLMFWFKPBR-LBPRGKRZSA-N -1 3 344.375 2.183 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000158343721 201157853 /nfs/dbraw/zinc/15/78/53/201157853.db2.gz IPKOILIEYMHFGV-CABZTGNLSA-N -1 3 348.808 2.078 10 5 EEBEHM O=C(Cn1cc([N-]c2ncc([N+](=O)[O-])s2)cn1)NC1CCCC1 ZINC000443510546 242121728 /nfs/dbraw/zinc/12/17/28/242121728.db2.gz MTDGHFGLONRCRF-UHFFFAOYSA-N -1 3 336.377 2.050 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(OC)c(OC)cc2F)n1 ZINC000191604645 152263779 /nfs/dbraw/zinc/26/37/79/152263779.db2.gz XDRNFKRPUJQLPV-UHFFFAOYSA-N -1 3 338.295 2.220 10 5 EEBEHM COc1cc(CNC[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000263004452 152354988 /nfs/dbraw/zinc/35/49/88/152354988.db2.gz ACDHVJCATMOVTP-GFCCVEGCSA-N -1 3 340.376 2.449 10 5 EEBEHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000110785788 159362553 /nfs/dbraw/zinc/36/25/53/159362553.db2.gz ONPUMPJGXCCTNP-UHFFFAOYSA-N -1 3 338.327 2.013 10 5 EEBEHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000110785788 159362556 /nfs/dbraw/zinc/36/25/56/159362556.db2.gz ONPUMPJGXCCTNP-UHFFFAOYSA-N -1 3 338.327 2.013 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000194623049 160196957 /nfs/dbraw/zinc/19/69/57/160196957.db2.gz FNNHZDWTEYKVIN-LBPRGKRZSA-N -1 3 334.353 2.315 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000359630954 164141061 /nfs/dbraw/zinc/14/10/61/164141061.db2.gz YQSNDYWJQRTPNY-UHFFFAOYSA-N -1 3 349.372 2.296 10 5 EEBEHM CN1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000272704543 269011340 /nfs/dbraw/zinc/01/13/40/269011340.db2.gz VQPNOZDYIZBQHT-IAGOWNOFSA-N -1 3 341.367 2.476 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccccn2)c(F)c1 ZINC000178914179 274002556 /nfs/dbraw/zinc/00/25/56/274002556.db2.gz BFJMXHGLJAFOLG-UHFFFAOYSA-N -1 3 339.348 2.040 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000292695982 275466181 /nfs/dbraw/zinc/46/61/81/275466181.db2.gz CVMKBNZKKKDQCK-UHFFFAOYSA-N -1 3 339.373 2.073 10 5 EEBEHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000545444455 318221442 /nfs/dbraw/zinc/22/14/42/318221442.db2.gz LVALOQXRKFMSIG-UHFFFAOYSA-N -1 3 345.315 2.004 10 5 EEBEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341203999 465052904 /nfs/dbraw/zinc/05/29/04/465052904.db2.gz DPBYBTPGWMROFB-BETUJISGSA-N -1 3 341.433 2.136 10 5 EEBEHM CC(C)(C)OC(=O)COC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000096012698 463141094 /nfs/dbraw/zinc/14/10/94/463141094.db2.gz ITPCMCNPHBSDOY-UHFFFAOYSA-N -1 3 347.327 2.483 10 5 EEBEHM CC(C)(C)OC(=O)COC(=O)c1c[n-]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000096012698 463141097 /nfs/dbraw/zinc/14/10/97/463141097.db2.gz ITPCMCNPHBSDOY-UHFFFAOYSA-N -1 3 347.327 2.483 10 5 EEBEHM CN(CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000346208705 465992059 /nfs/dbraw/zinc/99/20/59/465992059.db2.gz FLAHMILIYHVFFE-UHFFFAOYSA-N -1 3 329.356 2.162 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)O1 ZINC000594852264 468705811 /nfs/dbraw/zinc/70/58/11/468705811.db2.gz PMQJKTQUFOJQKV-NEPJUHHUSA-N -1 3 328.390 2.139 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000595381635 468833353 /nfs/dbraw/zinc/83/33/53/468833353.db2.gz XOWURECJSHJWJW-APHBMKBZSA-N -1 3 348.355 2.351 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC2CCC2)cc1C ZINC000584384696 468857146 /nfs/dbraw/zinc/85/71/46/468857146.db2.gz IHPOEDZOQRGMIY-UHFFFAOYSA-N -1 3 342.417 2.307 10 5 EEBEHM CCC([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)(C1CC1)C1CC1 ZINC000599396693 469242075 /nfs/dbraw/zinc/24/20/75/469242075.db2.gz YBOQGHBMNVUGAW-UHFFFAOYSA-N -1 3 325.390 2.237 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599460091 469266203 /nfs/dbraw/zinc/26/62/03/469266203.db2.gz SLDFSMGTDIFYGD-GYAIJENASA-N -1 3 334.419 2.055 10 5 EEBEHM Cn1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C1CC1 ZINC000771498935 577215855 /nfs/dbraw/zinc/21/58/55/577215855.db2.gz OBXSUPKOWNMQBL-UHFFFAOYSA-N -1 3 326.316 2.334 10 5 EEBEHM O=C([N-]OCC(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC001296256925 1329877536 /nfs/dbraw/zinc/87/75/36/1329877536.db2.gz CUJAYZYARYHCCK-UHFFFAOYSA-N -1 3 325.065 2.284 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)on1 ZINC001436387498 1342065689 /nfs/dbraw/zinc/06/56/89/1342065689.db2.gz KKPCUQRXIYZZNB-UHFFFAOYSA-N -1 3 325.664 2.275 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001624739757 1352429220 /nfs/dbraw/zinc/42/92/20/1352429220.db2.gz DNECTWKOEZVGPC-UHFFFAOYSA-N -1 3 328.284 2.438 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628244844 1352526861 /nfs/dbraw/zinc/52/68/61/1352526861.db2.gz GNQQXDVPGCAYHR-MJRJWQSSSA-N -1 3 328.328 2.053 10 5 EEBEHM C[C@@H](NCC(=O)[N-]OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001655548157 1354177169 /nfs/dbraw/zinc/17/71/69/1354177169.db2.gz IKHLHMKZXPBUND-CYBMUJFWSA-N -1 3 329.356 2.493 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)n1 ZINC000271112697 256209254 /nfs/dbraw/zinc/20/92/54/256209254.db2.gz MPRXILIKOPQYCO-UHFFFAOYSA-N -1 3 349.372 2.192 10 5 EEBEHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273487911 256301023 /nfs/dbraw/zinc/30/10/23/256301023.db2.gz GVJSYRRAPDJPNB-UHFFFAOYSA-N -1 3 344.389 2.238 10 5 EEBEHM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000185753601 160047669 /nfs/dbraw/zinc/04/76/69/160047669.db2.gz AVXNTBJPZQEZCJ-OAHLLOKOSA-N -1 3 336.369 2.261 10 5 EEBEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000352497993 162159844 /nfs/dbraw/zinc/15/98/44/162159844.db2.gz DJIQTHOTCUAYOM-UHFFFAOYSA-N -1 3 345.764 2.066 10 5 EEBEHM O=C(Nc1csc(-c2ccccn2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445153734 315348449 /nfs/dbraw/zinc/34/84/49/315348449.db2.gz WKXQPENLQCAFSH-UHFFFAOYSA-N -1 3 343.324 2.466 10 5 EEBEHM CCOc1cc(CN2C[C@@H](OC)C[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000574697519 320048804 /nfs/dbraw/zinc/04/88/04/320048804.db2.gz SWYAGKPKKHTHHI-STQMWFEESA-N -1 3 338.360 2.058 10 5 EEBEHM CCC[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000285205183 464486857 /nfs/dbraw/zinc/48/68/57/464486857.db2.gz DGTFPLAIRIZWAI-ZDUSSCGKSA-N -1 3 348.808 2.486 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000190003732 464583863 /nfs/dbraw/zinc/58/38/63/464583863.db2.gz QRUSMZCXKOHCSR-CHWSQXEVSA-N -1 3 342.417 2.041 10 5 EEBEHM CCC[C@@]1([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOC1 ZINC000352333797 465517994 /nfs/dbraw/zinc/51/79/94/465517994.db2.gz WPVXYSQNXQHBQU-OAHLLOKOSA-N -1 3 342.417 2.449 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1C[N-]c1nnc(C(F)(F)F)o1 ZINC000357705028 466211909 /nfs/dbraw/zinc/21/19/09/466211909.db2.gz VJOAPFWNRMBIEI-UHFFFAOYSA-N -1 3 332.238 3.007 10 5 EEBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000368731966 466696331 /nfs/dbraw/zinc/69/63/31/466696331.db2.gz HJZZRYXUQFQFMI-UHFFFAOYSA-N -1 3 344.356 2.706 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594488513 468606399 /nfs/dbraw/zinc/60/63/99/468606399.db2.gz SIKJTPFYQSMUPG-DGCLKSJQSA-N -1 3 328.390 2.221 10 5 EEBEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595392956 468836742 /nfs/dbraw/zinc/83/67/42/468836742.db2.gz RCROXVYHMGZNNZ-SECBINFHSA-N -1 3 348.808 2.342 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCO1 ZINC000601444886 468876750 /nfs/dbraw/zinc/87/67/50/468876750.db2.gz KRTPRZWYERQRNA-UWVGGRQHSA-N -1 3 334.419 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COCC2CC2)c([N+](=O)[O-])s1 ZINC000601455482 468881441 /nfs/dbraw/zinc/88/14/41/468881441.db2.gz GJDKFRIERJWGEL-QMMMGPOBSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593543917 469027781 /nfs/dbraw/zinc/02/77/81/469027781.db2.gz RSKWWMSJHWSKNY-ZDUSSCGKSA-N -1 3 349.368 2.019 10 5 EEBEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cscn2)cc1[N+](=O)[O-] ZINC000573799093 469208968 /nfs/dbraw/zinc/20/89/68/469208968.db2.gz XNFMSEPBHLJDCJ-VIFPVBQESA-N -1 3 327.387 2.399 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1C ZINC000599459851 469264804 /nfs/dbraw/zinc/26/48/04/469264804.db2.gz ORYPXMSINFAYGB-ASHKBJFXSA-N -1 3 342.417 2.302 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[C@H](C)CC1 ZINC000609387897 469924709 /nfs/dbraw/zinc/92/47/09/469924709.db2.gz MWMKSWGYMVYHFB-XYPYZODXSA-N -1 3 328.390 2.460 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cscc2Br)n1 ZINC001583809857 1348709471 /nfs/dbraw/zinc/70/94/71/1348709471.db2.gz DWIWEDSZTFGFLH-UHFFFAOYSA-N -1 3 331.151 2.405 10 5 EEBEHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001597924053 1349933610 /nfs/dbraw/zinc/93/36/10/1349933610.db2.gz HUYIHQLRRFFMRB-LURJTMIESA-N -1 3 329.238 2.223 10 5 EEBEHM Cc1ccnn1-c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001633911345 1352619812 /nfs/dbraw/zinc/61/98/12/1352619812.db2.gz USZAPTBZCUYHQV-UHFFFAOYSA-N -1 3 339.311 2.442 10 5 EEBEHM CSc1nc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n[n-]1 ZINC001136481208 786844682 /nfs/dbraw/zinc/84/46/82/786844682.db2.gz NBUFACINYQKUED-UHFFFAOYSA-N -1 3 327.753 2.269 10 5 EEBEHM CSCCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845907027 789989280 /nfs/dbraw/zinc/98/92/80/789989280.db2.gz LCZABILNCHTWIA-UHFFFAOYSA-N -1 3 333.435 2.192 10 5 EEBEHM CSc1nc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n[n-]1 ZINC001442610484 1096981303 /nfs/dbraw/zinc/98/13/03/1096981303.db2.gz HKYBSSDUXHJUGC-UHFFFAOYSA-N -1 3 325.325 2.145 10 5 EEBEHM O=c1[n-]c(C2CC2)nc2c1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC001473766220 1110580384 /nfs/dbraw/zinc/58/03/84/1110580384.db2.gz OZSKXYVDNDPMNU-UHFFFAOYSA-N -1 3 342.355 2.362 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC001540169648 1124076734 /nfs/dbraw/zinc/07/67/34/1124076734.db2.gz DNEMGCMUZOPZDC-UHFFFAOYSA-N -1 3 331.263 2.375 10 5 EEBEHM O=C(NC/C=C/CNCc1csc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001568818783 1124836080 /nfs/dbraw/zinc/83/60/80/1124836080.db2.gz YTZDIBKKKBJFAW-ONEGZZNKSA-N -1 3 347.396 2.438 10 5 EEBEHM CN(c1ncnc([N-]c2nccs2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040647840 213364203 /nfs/dbraw/zinc/36/42/03/213364203.db2.gz WRPPFVJMTYQILG-UHFFFAOYSA-N -1 3 349.420 2.115 10 5 EEBEHM Nc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c1 ZINC000071321149 215759872 /nfs/dbraw/zinc/75/98/72/215759872.db2.gz RDLXNGHBFHQJIO-UHFFFAOYSA-N -1 3 347.805 2.370 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)ccc2F)n1 ZINC000345253480 161285469 /nfs/dbraw/zinc/28/54/69/161285469.db2.gz GYYSDSHJTQXABP-UHFFFAOYSA-N -1 3 343.112 2.482 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C)C2)c1 ZINC000272464902 274171913 /nfs/dbraw/zinc/17/19/13/274171913.db2.gz MCAXZAVJTQINBX-VHSXEESVSA-N -1 3 348.808 2.402 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000580068832 323987031 /nfs/dbraw/zinc/98/70/31/323987031.db2.gz XPECBTQXIGFANI-UWVGGRQHSA-N -1 3 332.353 2.162 10 5 EEBEHM COc1cccc(C(=O)[N-]c2nnc3cc(C)ccn32)c1[N+](=O)[O-] ZINC000194659665 463904535 /nfs/dbraw/zinc/90/45/35/463904535.db2.gz GTEWDUJLVZZGSA-UHFFFAOYSA-N -1 3 327.300 2.207 10 5 EEBEHM COc1cc(N(C)C[C@@H](C)c2nnn[n-]2)c(Cl)cc1[N+](=O)[O-] ZINC000596194784 469196191 /nfs/dbraw/zinc/19/61/91/469196191.db2.gz QQCUEUNEJYIXQE-SSDOTTSWSA-N -1 3 326.744 2.010 10 5 EEBEHM COc1cc(N(C)C[C@@H](C)c2nn[n-]n2)c(Cl)cc1[N+](=O)[O-] ZINC000596194784 469196197 /nfs/dbraw/zinc/19/61/97/469196197.db2.gz QQCUEUNEJYIXQE-SSDOTTSWSA-N -1 3 326.744 2.010 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1C ZINC000599483721 469272235 /nfs/dbraw/zinc/27/22/35/469272235.db2.gz VTQHBJLBINQYPG-OCCSQVGLSA-N -1 3 340.401 2.057 10 5 EEBEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765166275 577496256 /nfs/dbraw/zinc/49/62/56/577496256.db2.gz LVYMYQDJLBPUOT-HTQZYQBOSA-N -1 3 349.206 2.292 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nnc3ccccn32)c1F ZINC001596606124 1349909106 /nfs/dbraw/zinc/90/91/06/1349909106.db2.gz ZZPAHPINTCQKFX-UHFFFAOYSA-N -1 3 333.254 2.476 10 5 EEBEHM COc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1N1CCOC1=O ZINC001655179392 1354166981 /nfs/dbraw/zinc/16/69/81/1354166981.db2.gz OSYKRUUSXXMQIF-UHFFFAOYSA-N -1 3 346.299 2.404 10 5 EEBEHM COc1ccc(-c2cc(C(=O)[N-]c3c([N+](=O)[O-])cnn3C)no2)cc1 ZINC001128217209 798362483 /nfs/dbraw/zinc/36/24/83/798362483.db2.gz UONTYEXXOGBVNR-UHFFFAOYSA-N -1 3 343.299 2.244 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(CN(C)C)on1 ZINC001128407779 799278227 /nfs/dbraw/zinc/27/82/27/799278227.db2.gz LWDHSWNFUFFHKP-UHFFFAOYSA-N -1 3 334.332 2.295 10 5 EEBEHM O=C([N-]c1cnsn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001531928263 1122607910 /nfs/dbraw/zinc/60/79/10/1122607910.db2.gz PEFBKSCQOWDTGL-UHFFFAOYSA-N -1 3 329.135 2.461 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000265186568 247279962 /nfs/dbraw/zinc/27/99/62/247279962.db2.gz GIFALPNFUCQZRC-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000095427325 218369239 /nfs/dbraw/zinc/36/92/39/218369239.db2.gz IBSBYMNVTVFVIP-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000095427325 218369242 /nfs/dbraw/zinc/36/92/42/218369242.db2.gz IBSBYMNVTVFVIP-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1c(CC(=O)Nc2cc(-c3nccn3C)[n-]n2)cccc1[N+](=O)[O-] ZINC000119821820 142378684 /nfs/dbraw/zinc/37/86/84/142378684.db2.gz UBMPHTKNHPPXIG-UHFFFAOYSA-N -1 3 340.343 2.208 10 5 EEBEHM Cc1c(CC(=O)Nc2cc(-c3nccn3C)n[n-]2)cccc1[N+](=O)[O-] ZINC000119821820 142378686 /nfs/dbraw/zinc/37/86/86/142378686.db2.gz UBMPHTKNHPPXIG-UHFFFAOYSA-N -1 3 340.343 2.208 10 5 EEBEHM COCc1csc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000115477388 152025812 /nfs/dbraw/zinc/02/58/12/152025812.db2.gz XCVMWEHVSDMTPE-UHFFFAOYSA-N -1 3 333.329 2.326 10 5 EEBEHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000359705105 164156736 /nfs/dbraw/zinc/15/67/36/164156736.db2.gz HVMWJVFHIRKKRF-UHFFFAOYSA-N -1 3 345.237 2.130 10 5 EEBEHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000359705105 164156737 /nfs/dbraw/zinc/15/67/37/164156737.db2.gz HVMWJVFHIRKKRF-UHFFFAOYSA-N -1 3 345.237 2.130 10 5 EEBEHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000359705105 164156740 /nfs/dbraw/zinc/15/67/40/164156740.db2.gz HVMWJVFHIRKKRF-UHFFFAOYSA-N -1 3 345.237 2.130 10 5 EEBEHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000344778992 288019873 /nfs/dbraw/zinc/01/98/73/288019873.db2.gz SXIRVPZNFMRWNM-LBPRGKRZSA-N -1 3 333.388 2.247 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127809116 462584502 /nfs/dbraw/zinc/58/45/02/462584502.db2.gz WTKPNVRPICPLEA-OCCSQVGLSA-N -1 3 342.417 2.204 10 5 EEBEHM CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000154214577 462742156 /nfs/dbraw/zinc/74/21/56/462742156.db2.gz SVNDVHGETIRRMN-AWEZNQCLSA-N -1 3 329.356 2.333 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)C1 ZINC000073636946 463636583 /nfs/dbraw/zinc/63/65/83/463636583.db2.gz XYGVSCDGSDXIIM-GHMZBOCLSA-N -1 3 328.390 2.460 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)c3c(n2)CCCC3)n1 ZINC000361431789 465990864 /nfs/dbraw/zinc/99/08/64/465990864.db2.gz GDNWZJWSYRYEAL-UHFFFAOYSA-N -1 3 330.348 2.041 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2csc(-c3ccncc3)n2)n1 ZINC000338870898 466444932 /nfs/dbraw/zinc/44/49/32/466444932.db2.gz SGYQFCSHXBGNJZ-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000420711699 467459545 /nfs/dbraw/zinc/45/95/45/467459545.db2.gz ZCZVJRDFIIMHRY-LLVKDONJSA-N -1 3 342.442 2.406 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000516905062 468053770 /nfs/dbraw/zinc/05/37/70/468053770.db2.gz PHTACLZVMMTKEF-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000516905062 468053771 /nfs/dbraw/zinc/05/37/71/468053771.db2.gz PHTACLZVMMTKEF-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1C ZINC000594838557 468701568 /nfs/dbraw/zinc/70/15/68/468701568.db2.gz BEJJJSGTELLPCY-UHFFFAOYSA-N -1 3 335.385 2.128 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000594849987 468704451 /nfs/dbraw/zinc/70/44/51/468704451.db2.gz BKVROLUJSVAJQE-OLZOCXBDSA-N -1 3 342.417 2.448 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000601482420 468891260 /nfs/dbraw/zinc/89/12/60/468891260.db2.gz VTAMOPKALWOFCU-CYBMUJFWSA-N -1 3 326.374 2.214 10 5 EEBEHM CS[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000593574541 469042681 /nfs/dbraw/zinc/04/26/81/469042681.db2.gz DDZGFZSURGUWPX-JTQLQIEISA-N -1 3 333.435 2.046 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[n-]n1 ZINC001161080142 1320378630 /nfs/dbraw/zinc/37/86/30/1320378630.db2.gz AVSHOJYRNYDJJJ-UHFFFAOYSA-N -1 3 338.707 2.400 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n[n-]1 ZINC001161080142 1320378634 /nfs/dbraw/zinc/37/86/34/1320378634.db2.gz AVSHOJYRNYDJJJ-UHFFFAOYSA-N -1 3 338.707 2.400 10 5 EEBEHM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001639639612 1352700084 /nfs/dbraw/zinc/70/00/84/1352700084.db2.gz GSONTFZNPISMGS-JTQLQIEISA-N -1 3 341.327 2.135 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001639641400 1352700118 /nfs/dbraw/zinc/70/01/18/1352700118.db2.gz ZVZWERHCVPXGLW-LLVKDONJSA-N -1 3 330.344 2.270 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOc2c(F)c(F)ccc21 ZINC001643378216 1352747343 /nfs/dbraw/zinc/74/73/43/1352747343.db2.gz OJGYUBGFWQFVBQ-UHFFFAOYSA-N -1 3 337.238 2.013 10 5 EEBEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001651731830 1354062515 /nfs/dbraw/zinc/06/25/15/1354062515.db2.gz GRUKRBHAAXVMDD-UHFFFAOYSA-N -1 3 328.328 2.206 10 5 EEBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001128320754 798842959 /nfs/dbraw/zinc/84/29/59/798842959.db2.gz HREIPEQUDZHQMW-UHFFFAOYSA-N -1 3 325.668 2.142 10 5 EEBEHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001179183933 799798622 /nfs/dbraw/zinc/79/86/22/799798622.db2.gz YVMPBWYXFCNHBH-YFKPBYRVSA-N -1 3 347.228 2.362 10 5 EEBEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC001452737334 1105667964 /nfs/dbraw/zinc/66/79/64/1105667964.db2.gz ODAJDGARQGSQFT-UHFFFAOYSA-N -1 3 346.343 2.116 10 5 EEBEHM Cc1nc(-c2ccnc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])c2)n[nH]1 ZINC001468759626 1110480159 /nfs/dbraw/zinc/48/01/59/1110480159.db2.gz CTWLBFHWKDASHZ-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM O=C(COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000021027549 212200628 /nfs/dbraw/zinc/20/06/28/212200628.db2.gz BNCGPGZOVKITLF-UHFFFAOYSA-N -1 3 333.256 2.226 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCc2ncccc2C)cc1[N+](=O)[O-] ZINC000451820156 243278694 /nfs/dbraw/zinc/27/86/94/243278694.db2.gz XURBGONEFUCHQE-UHFFFAOYSA-N -1 3 341.414 2.189 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000451959803 243325454 /nfs/dbraw/zinc/32/54/54/243325454.db2.gz NWMRIIQKHFFMRQ-UHFFFAOYSA-N -1 3 339.373 2.322 10 5 EEBEHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000342480443 161068843 /nfs/dbraw/zinc/06/88/43/161068843.db2.gz BYIAEPSJTJAVOP-SECBINFHSA-N -1 3 330.344 2.127 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345626794 161317521 /nfs/dbraw/zinc/31/75/21/161317521.db2.gz JTDRVEABLJWPFH-JTQLQIEISA-N -1 3 342.295 2.223 10 5 EEBEHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[n-]1 ZINC000352689425 162245894 /nfs/dbraw/zinc/24/58/94/162245894.db2.gz ZPGMVWIUMROJEQ-UHFFFAOYSA-N -1 3 337.361 2.474 10 5 EEBEHM COc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n[n-]1 ZINC000352689425 162245896 /nfs/dbraw/zinc/24/58/96/162245896.db2.gz ZPGMVWIUMROJEQ-UHFFFAOYSA-N -1 3 337.361 2.474 10 5 EEBEHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000352689425 162245898 /nfs/dbraw/zinc/24/58/98/162245898.db2.gz ZPGMVWIUMROJEQ-UHFFFAOYSA-N -1 3 337.361 2.474 10 5 EEBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000368732899 166118303 /nfs/dbraw/zinc/11/83/03/166118303.db2.gz MKXJVWNYPXKLAB-UHFFFAOYSA-N -1 3 330.329 2.397 10 5 EEBEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160085720 225335493 /nfs/dbraw/zinc/33/54/93/225335493.db2.gz KWZGPYLSHJKQGI-OAHLLOKOSA-N -1 3 343.383 2.203 10 5 EEBEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000581948611 324349905 /nfs/dbraw/zinc/34/99/05/324349905.db2.gz SZGFDDSOMJAYMT-GXFFZTMASA-N -1 3 344.433 2.287 10 5 EEBEHM CCc1cnc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000155030089 462838947 /nfs/dbraw/zinc/83/89/47/462838947.db2.gz VULZIXPHNVVSAQ-UHFFFAOYSA-N -1 3 341.414 2.233 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000123244473 463326468 /nfs/dbraw/zinc/32/64/68/463326468.db2.gz WPUUGCAQPOISIT-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM Cc1ocnc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000161969296 463473485 /nfs/dbraw/zinc/47/34/85/463473485.db2.gz MFUUQYNUGZONPF-UHFFFAOYSA-N -1 3 345.764 2.332 10 5 EEBEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000188532587 464305779 /nfs/dbraw/zinc/30/57/79/464305779.db2.gz SNESTBUKBLTWAQ-IUCAKERBSA-N -1 3 336.797 2.258 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC12CCC(CC1)C2 ZINC000339787098 465511834 /nfs/dbraw/zinc/51/18/34/465511834.db2.gz KTRKMVWDBXOPGU-UHFFFAOYSA-N -1 3 340.401 2.462 10 5 EEBEHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594776964 468682168 /nfs/dbraw/zinc/68/21/68/468682168.db2.gz QYRVQBYLQHKVSG-VIFPVBQESA-N -1 3 327.337 2.169 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594790582 468686427 /nfs/dbraw/zinc/68/64/27/468686427.db2.gz TZKJASCVQYDGLN-UHFFFAOYSA-N -1 3 348.808 2.342 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)c1C ZINC000594852486 468705749 /nfs/dbraw/zinc/70/57/49/468705749.db2.gz PZENUYDVTGNUGG-AAEUAGOBSA-N -1 3 342.417 2.448 10 5 EEBEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000594865324 468712064 /nfs/dbraw/zinc/71/20/64/468712064.db2.gz WHQDMCYMEPDZOY-CQSZACIVSA-N -1 3 328.390 2.460 10 5 EEBEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601464621 468885690 /nfs/dbraw/zinc/88/56/90/468885690.db2.gz SCWMOSYBZMIRFE-NSHDSACASA-N -1 3 348.446 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)CCCO)c([N+](=O)[O-])s1 ZINC000585115872 468978140 /nfs/dbraw/zinc/97/81/40/468978140.db2.gz XEADUSWJVIXTNO-UHFFFAOYSA-N -1 3 336.435 2.042 10 5 EEBEHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000593547360 469028382 /nfs/dbraw/zinc/02/83/82/469028382.db2.gz DNJXCQRPAQTEGP-VIFPVBQESA-N -1 3 341.414 2.269 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C2CC2)nc1 ZINC000593608853 469057834 /nfs/dbraw/zinc/05/78/34/469057834.db2.gz RKQJVFUTMSNAQM-WCQYABFASA-N -1 3 325.390 2.094 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)c1C ZINC000599396964 469242140 /nfs/dbraw/zinc/24/21/40/469242140.db2.gz LVMHGHZPLFBQNT-XHDPSFHLSA-N -1 3 340.401 2.057 10 5 EEBEHM O=C(COC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000732523913 577183462 /nfs/dbraw/zinc/18/34/62/577183462.db2.gz DRMHCHYCDQQOPG-UHFFFAOYSA-N -1 3 346.343 2.077 10 5 EEBEHM O=C(COC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000732523913 577183464 /nfs/dbraw/zinc/18/34/64/577183464.db2.gz DRMHCHYCDQQOPG-UHFFFAOYSA-N -1 3 346.343 2.077 10 5 EEBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000754375837 577805294 /nfs/dbraw/zinc/80/52/94/577805294.db2.gz KEZAUUOYQRKRJN-FLIBITNWSA-N -1 3 340.339 2.079 10 5 EEBEHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)c1 ZINC001128881216 1195950876 /nfs/dbraw/zinc/95/08/76/1195950876.db2.gz MQFDKVLFHVOUAX-UHFFFAOYSA-N -1 3 337.317 2.211 10 5 EEBEHM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1F ZINC001288087962 1327627773 /nfs/dbraw/zinc/62/77/73/1327627773.db2.gz HOJFSJYLGAMNOU-UHFFFAOYSA-N -1 3 332.291 2.131 10 5 EEBEHM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595233 1352712195 /nfs/dbraw/zinc/71/21/95/1352712195.db2.gz QOPWLAPYHCXDCR-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM COc1ccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1[N+](=O)[O-] ZINC001660017951 1354391467 /nfs/dbraw/zinc/39/14/67/1354391467.db2.gz WFOORMSNKZDRKF-UHFFFAOYSA-N -1 3 342.355 2.492 10 5 EEBEHM CCOc1nnc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001174745980 797870923 /nfs/dbraw/zinc/87/09/23/797870923.db2.gz XLPXOHUEPXACBU-LLVKDONJSA-N -1 3 333.348 2.319 10 5 EEBEHM CCOc1nc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC001174745980 797870930 /nfs/dbraw/zinc/87/09/30/797870930.db2.gz XLPXOHUEPXACBU-LLVKDONJSA-N -1 3 333.348 2.319 10 5 EEBEHM CCOc1n[n-]c(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001174745980 797870938 /nfs/dbraw/zinc/87/09/38/797870938.db2.gz XLPXOHUEPXACBU-LLVKDONJSA-N -1 3 333.348 2.319 10 5 EEBEHM CC(=O)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC001543699483 1124133245 /nfs/dbraw/zinc/13/32/45/1124133245.db2.gz PNJKOPQKSSCOAD-UHFFFAOYSA-N -1 3 343.339 2.345 10 5 EEBEHM CN1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001565897390 1125452043 /nfs/dbraw/zinc/45/20/43/1125452043.db2.gz NDLVUDMSFUZBTE-UHFFFAOYSA-N -1 3 328.328 2.182 10 5 EEBEHM CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccccc1 ZINC000179224713 283131741 /nfs/dbraw/zinc/13/17/41/283131741.db2.gz FMCQXZGPODLZRO-YOEHRIQHSA-N -1 3 341.367 2.476 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000185137232 235594950 /nfs/dbraw/zinc/59/49/50/235594950.db2.gz DJBZSEZUUGOGON-SECBINFHSA-N -1 3 334.394 2.216 10 5 EEBEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000427085934 241374504 /nfs/dbraw/zinc/37/45/04/241374504.db2.gz HETZIWJCQPMAEP-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000427085934 241374509 /nfs/dbraw/zinc/37/45/09/241374509.db2.gz HETZIWJCQPMAEP-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]CCC2=CCCC2)c([N+](=O)[O-])c1 ZINC000159101277 533057310 /nfs/dbraw/zinc/05/73/10/533057310.db2.gz DFIXRWVIEREMES-UHFFFAOYSA-N -1 3 326.374 2.382 10 5 EEBEHM Cc1nc(C)c(CCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(=O)[n-]1 ZINC000273592847 256309810 /nfs/dbraw/zinc/30/98/10/256309810.db2.gz UJEZQHWQKZRQCI-UHFFFAOYSA-N -1 3 342.355 2.229 10 5 EEBEHM COc1nnc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000345298669 161289521 /nfs/dbraw/zinc/28/95/21/161289521.db2.gz SINTVDUEKCQARE-UHFFFAOYSA-N -1 3 343.752 2.106 10 5 EEBEHM COc1nc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000345298669 161289520 /nfs/dbraw/zinc/28/95/20/161289520.db2.gz SINTVDUEKCQARE-UHFFFAOYSA-N -1 3 343.752 2.106 10 5 EEBEHM COc1n[n-]c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000345298669 161289522 /nfs/dbraw/zinc/28/95/22/161289522.db2.gz SINTVDUEKCQARE-UHFFFAOYSA-N -1 3 343.752 2.106 10 5 EEBEHM O=C(NCc1ncccc1[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000352502455 162161232 /nfs/dbraw/zinc/16/12/32/162161232.db2.gz UZNVLIVPHPVSEI-UHFFFAOYSA-N -1 3 328.328 2.200 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000277968951 269201959 /nfs/dbraw/zinc/20/19/59/269201959.db2.gz SNPNLQACELGBTN-ONGXEEELSA-N -1 3 348.808 2.260 10 5 EEBEHM CN(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000159806469 289189018 /nfs/dbraw/zinc/18/90/18/289189018.db2.gz FBSQTOBZVMUZGG-CQSZACIVSA-N -1 3 329.356 2.333 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c1C ZINC000416662830 313289308 /nfs/dbraw/zinc/28/93/08/313289308.db2.gz RJOLRCAPJVMREZ-OLZOCXBDSA-N -1 3 342.417 2.041 10 5 EEBEHM C[N-]S(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCc2ccccc2C1 ZINC000328593874 465065457 /nfs/dbraw/zinc/06/54/57/465065457.db2.gz UAWUZVXISJNRDT-UHFFFAOYSA-N -1 3 347.396 2.066 10 5 EEBEHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000113301114 462588276 /nfs/dbraw/zinc/58/82/76/462588276.db2.gz AQQLASUZHVOVRM-NSHDSACASA-N -1 3 347.462 2.199 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)s1 ZINC000097097257 463322846 /nfs/dbraw/zinc/32/28/46/463322846.db2.gz NAYCKYSNVKHUJM-UHFFFAOYSA-N -1 3 345.377 2.286 10 5 EEBEHM Cc1sc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000360998916 465692271 /nfs/dbraw/zinc/69/22/71/465692271.db2.gz ZSPSQDQNDMSMMW-UHFFFAOYSA-N -1 3 335.267 2.032 10 5 EEBEHM Cc1sc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000360998916 465692275 /nfs/dbraw/zinc/69/22/75/465692275.db2.gz ZSPSQDQNDMSMMW-UHFFFAOYSA-N -1 3 335.267 2.032 10 5 EEBEHM Cc1sc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000360998916 465692280 /nfs/dbraw/zinc/69/22/80/465692280.db2.gz ZSPSQDQNDMSMMW-UHFFFAOYSA-N -1 3 335.267 2.032 10 5 EEBEHM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000377813362 467144232 /nfs/dbraw/zinc/14/42/32/467144232.db2.gz FHHFGNIAKQJAHU-UHFFFAOYSA-N -1 3 333.388 2.391 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CCOCC1 ZINC000601362758 468841273 /nfs/dbraw/zinc/84/12/73/468841273.db2.gz QYTSIKALHWREFV-NSHDSACASA-N -1 3 348.446 2.448 10 5 EEBEHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cs1 ZINC000593544512 469027291 /nfs/dbraw/zinc/02/72/91/469027291.db2.gz HKHOHIGHRIPURH-MRVPVSSYSA-N -1 3 342.402 2.048 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)nc1 ZINC000593555534 469032712 /nfs/dbraw/zinc/03/27/12/469032712.db2.gz INIGOYRGTVXODZ-IJLUTSLNSA-N -1 3 325.390 2.237 10 5 EEBEHM COc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC000616030185 469356696 /nfs/dbraw/zinc/35/66/96/469356696.db2.gz WTDZOPZIWWGLCI-UHFFFAOYSA-N -1 3 331.313 2.255 10 5 EEBEHM CCOC(=O)Cc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618374910 469979195 /nfs/dbraw/zinc/97/91/95/469979195.db2.gz XPXSXUFDBNAJKO-UHFFFAOYSA-N -1 3 345.311 2.053 10 5 EEBEHM C[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc([N+](=O)[O-])c1 ZINC000732340129 577172008 /nfs/dbraw/zinc/17/20/08/577172008.db2.gz AYANLKILAWYUNC-VIFPVBQESA-N -1 3 340.291 2.396 10 5 EEBEHM Cc1cc(=O)[n-]c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000761887252 577691007 /nfs/dbraw/zinc/69/10/07/577691007.db2.gz MVEWCFABHVBFEM-UHFFFAOYSA-N -1 3 344.371 2.442 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001196638009 1284173715 /nfs/dbraw/zinc/17/37/15/1284173715.db2.gz FAVODZDOKKHRGU-UHFFFAOYSA-N -1 3 330.344 2.184 10 5 EEBEHM CC(C)n1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001610946141 1352292260 /nfs/dbraw/zinc/29/22/60/1352292260.db2.gz QLYKBFMOBUEVFW-UHFFFAOYSA-N -1 3 344.253 2.433 10 5 EEBEHM O=c1cc(N2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)nc[n-]1 ZINC001613030429 1352313270 /nfs/dbraw/zinc/31/32/70/1352313270.db2.gz SFSCSXCFTIURFE-SNVBAGLBSA-N -1 3 335.751 2.435 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cnn(C)c3)ns2)c1 ZINC001618604345 1352351762 /nfs/dbraw/zinc/35/17/62/1352351762.db2.gz QNJYMUSIMIGELD-UHFFFAOYSA-N -1 3 344.356 2.408 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001558559705 1342481841 /nfs/dbraw/zinc/48/18/41/1342481841.db2.gz LKQVMLHUZJKQBA-UHFFFAOYSA-N -1 3 346.343 2.454 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001558559705 1342481842 /nfs/dbraw/zinc/48/18/42/1342481842.db2.gz LKQVMLHUZJKQBA-UHFFFAOYSA-N -1 3 346.343 2.454 10 5 EEBEHM COc1cccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1[N+](=O)[O-] ZINC001558560815 1342481954 /nfs/dbraw/zinc/48/19/54/1342481954.db2.gz WQGREVVKLGWXSZ-UHFFFAOYSA-N -1 3 348.315 2.144 10 5 EEBEHM COc1cccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1[N+](=O)[O-] ZINC001558560815 1342481956 /nfs/dbraw/zinc/48/19/56/1342481956.db2.gz WQGREVVKLGWXSZ-UHFFFAOYSA-N -1 3 348.315 2.144 10 5 EEBEHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001664062842 1355085097 /nfs/dbraw/zinc/08/50/97/1355085097.db2.gz CZOBNOCCOSPYNH-UHFFFAOYSA-N -1 3 333.369 2.154 10 5 EEBEHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC2CC2)c1 ZINC000173768747 791899097 /nfs/dbraw/zinc/89/90/97/791899097.db2.gz BJCWQJDQOKHFLI-UHFFFAOYSA-N -1 3 349.206 2.436 10 5 EEBEHM Cc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001171450425 796537310 /nfs/dbraw/zinc/53/73/10/796537310.db2.gz HMEMOODJNWVUNI-QGZVFWFLSA-N -1 3 330.340 2.246 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001442658044 1097025396 /nfs/dbraw/zinc/02/53/96/1097025396.db2.gz JYISIRGGEQROCZ-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001442658044 1097025401 /nfs/dbraw/zinc/02/54/01/1097025401.db2.gz JYISIRGGEQROCZ-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1cc(C(F)(F)F)nn1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001472878490 1110565008 /nfs/dbraw/zinc/56/50/08/1110565008.db2.gz OWOJXAOHQICWEL-UHFFFAOYSA-N -1 3 331.254 2.331 10 5 EEBEHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000050373782 214054709 /nfs/dbraw/zinc/05/47/09/214054709.db2.gz KIPMRXKLCHMXNY-ZYHUDNBSSA-N -1 3 334.781 2.094 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2N2CCCC2)n1 ZINC000271072439 256204850 /nfs/dbraw/zinc/20/48/50/256204850.db2.gz YQJANLXWZUIRHK-UHFFFAOYSA-N -1 3 333.323 2.320 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000343466861 161138762 /nfs/dbraw/zinc/13/87/62/161138762.db2.gz RNVPKYIKSCVLSE-UHFFFAOYSA-N -1 3 333.416 2.208 10 5 EEBEHM Cc1nccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Br ZINC000527340673 317187154 /nfs/dbraw/zinc/18/71/54/317187154.db2.gz YLRGEPIMUFUWCQ-UHFFFAOYSA-N -1 3 326.106 2.328 10 5 EEBEHM CC(C)(C)n1nnc(C(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC000597365283 468532723 /nfs/dbraw/zinc/53/27/23/468532723.db2.gz UJYLDDIAQPFIPS-UHFFFAOYSA-N -1 3 341.331 2.137 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000592107162 468626739 /nfs/dbraw/zinc/62/67/39/468626739.db2.gz BTUVTXPHGARAOR-GARJFASQSA-N -1 3 326.374 2.070 10 5 EEBEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000594828856 468699586 /nfs/dbraw/zinc/69/95/86/468699586.db2.gz LACWOVZURXFLIN-HAQNSBGRSA-N -1 3 328.390 2.057 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000594852298 468705560 /nfs/dbraw/zinc/70/55/60/468705560.db2.gz JNNMIRAPWJKVOD-MDZLAQPJSA-N -1 3 340.401 2.318 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)O1 ZINC000594852267 468705691 /nfs/dbraw/zinc/70/56/91/468705691.db2.gz PMQJKTQUFOJQKV-VXGBXAGGSA-N -1 3 328.390 2.139 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000601480902 468891590 /nfs/dbraw/zinc/89/15/90/468891590.db2.gz PKFBHTASGXFJOW-GFCCVEGCSA-N -1 3 344.364 2.354 10 5 EEBEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)O1 ZINC000601500000 468895606 /nfs/dbraw/zinc/89/56/06/468895606.db2.gz TVRASXZIGLHWKS-XLDPMVHQSA-N -1 3 334.781 2.092 10 5 EEBEHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000610518478 468992909 /nfs/dbraw/zinc/99/29/09/468992909.db2.gz TUSLIRFAEMDRPM-JTQLQIEISA-N -1 3 339.348 2.211 10 5 EEBEHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593534570 469021278 /nfs/dbraw/zinc/02/12/78/469021278.db2.gz LZFOEDQYHUBGPP-BXKDBHETSA-N -1 3 337.357 2.185 10 5 EEBEHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccn1 ZINC000593545899 469028174 /nfs/dbraw/zinc/02/81/74/469028174.db2.gz ZMRPTWYREGMHGD-ZDUSSCGKSA-N -1 3 336.373 2.205 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc1 ZINC000593555535 469033021 /nfs/dbraw/zinc/03/30/21/469033021.db2.gz INIGOYRGTVXODZ-QJPTWQEYSA-N -1 3 325.390 2.237 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c1C ZINC000599363842 469228780 /nfs/dbraw/zinc/22/87/80/469228780.db2.gz GHCZGCDXUWDVQJ-ZDUSSCGKSA-N -1 3 342.417 2.307 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599460100 469266594 /nfs/dbraw/zinc/26/65/94/469266594.db2.gz SLDFSMGTDIFYGD-QZOVBDONSA-N -1 3 334.419 2.055 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000599481460 469271397 /nfs/dbraw/zinc/27/13/97/469271397.db2.gz DRVABLXMKBVRRX-BXKDBHETSA-N -1 3 346.792 2.094 10 5 EEBEHM O=c1[nH][n-]cc1CCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001187174452 1279436848 /nfs/dbraw/zinc/43/68/48/1279436848.db2.gz HHDLCOBYOWFDIB-MRVPVSSYSA-N -1 3 348.750 2.115 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C)n1 ZINC001333243712 1335988354 /nfs/dbraw/zinc/98/83/54/1335988354.db2.gz DFQXEVRKOPSTJI-UHFFFAOYSA-N -1 3 341.776 2.483 10 5 EEBEHM O=c1cc(N2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)nc[n-]1 ZINC001613030428 1352313113 /nfs/dbraw/zinc/31/31/13/1352313113.db2.gz SFSCSXCFTIURFE-JTQLQIEISA-N -1 3 335.751 2.435 10 5 EEBEHM CC(=O)Nc1cccc(OCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001655106608 1354165101 /nfs/dbraw/zinc/16/51/01/1354165101.db2.gz AGPCCVHRTJBUIO-UHFFFAOYSA-N -1 3 332.316 2.145 10 5 EEBEHM O=c1[nH][n-]cc1CCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001655718219 1354182708 /nfs/dbraw/zinc/18/27/08/1354182708.db2.gz YUUHNCSMUFNARM-SECBINFHSA-N -1 3 347.762 2.142 10 5 EEBEHM CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001458511379 1109884577 /nfs/dbraw/zinc/88/45/77/1109884577.db2.gz CHRBHCVZAZOMEL-UHFFFAOYSA-N -1 3 332.364 2.495 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCCCC1 ZINC000066000200 215003084 /nfs/dbraw/zinc/00/30/84/215003084.db2.gz MDAYCKUEZNBEHN-UHFFFAOYSA-N -1 3 347.462 2.199 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C ZINC000359939050 164200094 /nfs/dbraw/zinc/20/00/94/164200094.db2.gz NAWYYLKBKBLXBY-MNOVXSKESA-N -1 3 328.390 2.318 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000297221234 294183711 /nfs/dbraw/zinc/18/37/11/294183711.db2.gz VWUWPVSGZSDJDB-UHFFFAOYSA-N -1 3 338.332 2.317 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127808904 462584126 /nfs/dbraw/zinc/58/41/26/462584126.db2.gz WTKPNVRPICPLEA-JSGCOSHPSA-N -1 3 342.417 2.204 10 5 EEBEHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](C)C1 ZINC000066333455 462875723 /nfs/dbraw/zinc/87/57/23/462875723.db2.gz DRNNQXWATFGXSJ-MNOVXSKESA-N -1 3 347.462 2.055 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000044388519 463677549 /nfs/dbraw/zinc/67/75/49/463677549.db2.gz JBPJUTUDYGFDQY-UHFFFAOYSA-N -1 3 336.369 2.390 10 5 EEBEHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000185262061 463789777 /nfs/dbraw/zinc/78/97/77/463789777.db2.gz FBAMMTZTELBKCN-HMDXOVGESA-N -1 3 348.808 2.162 10 5 EEBEHM Cc1ccncc1CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594817806 468695730 /nfs/dbraw/zinc/69/57/30/468695730.db2.gz BKZAPNORSBLJID-UHFFFAOYSA-N -1 3 349.412 2.436 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594850845 468704802 /nfs/dbraw/zinc/70/48/02/468704802.db2.gz GOILACGLDOZESF-VIFPVBQESA-N -1 3 326.346 2.288 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595391488 468836655 /nfs/dbraw/zinc/83/66/55/468836655.db2.gz DEBDACBIYPYWDF-VIFPVBQESA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000595393296 468837406 /nfs/dbraw/zinc/83/74/06/468837406.db2.gz UMZAXLJLSULDIX-GFCCVEGCSA-N -1 3 342.417 2.305 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601388507 468854150 /nfs/dbraw/zinc/85/41/50/468854150.db2.gz VCVLOKJWDIDIAU-UWVGGRQHSA-N -1 3 334.419 2.058 10 5 EEBEHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593543291 469025958 /nfs/dbraw/zinc/02/59/58/469025958.db2.gz ONAUKUYIBSNOII-ZDUSSCGKSA-N -1 3 335.385 2.289 10 5 EEBEHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593548504 469028933 /nfs/dbraw/zinc/02/89/33/469028933.db2.gz NSRFNKHIYVNCRU-GFCCVEGCSA-N -1 3 335.385 2.380 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)nc1 ZINC000593551816 469031672 /nfs/dbraw/zinc/03/16/72/469031672.db2.gz FMNNQQVKHUHNSK-STQMWFEESA-N -1 3 325.390 2.237 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)nc1 ZINC000593594911 469050974 /nfs/dbraw/zinc/05/09/74/469050974.db2.gz HKDULUBXLQXHDV-UHFFFAOYSA-N -1 3 325.390 2.237 10 5 EEBEHM COc1cc(N2CCc3nc[n-]c(=O)c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596172255 469185627 /nfs/dbraw/zinc/18/56/27/469185627.db2.gz SNBFYZFFSHMGTH-UHFFFAOYSA-N -1 3 336.735 2.315 10 5 EEBEHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]2C[C@H]2C1 ZINC000599482442 469272424 /nfs/dbraw/zinc/27/24/24/469272424.db2.gz USYBGTFBMRWAHJ-MSRIBSCDSA-N -1 3 328.365 2.448 10 5 EEBEHM Cn1ncc([N-]c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1C(F)F ZINC000615708487 469302713 /nfs/dbraw/zinc/30/27/13/469302713.db2.gz IHTJKFDYIAYNHZ-UHFFFAOYSA-N -1 3 346.315 2.413 10 5 EEBEHM C[C@@H](NCC(=O)[N-]OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000775574979 577439990 /nfs/dbraw/zinc/43/99/90/577439990.db2.gz BETJQHJTZXPRMT-CYBMUJFWSA-N -1 3 329.356 2.493 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(C)n1 ZINC001116285222 1305870166 /nfs/dbraw/zinc/87/01/66/1305870166.db2.gz CZWRLWVPPLRMIS-UHFFFAOYSA-N -1 3 335.385 2.446 10 5 EEBEHM Cn1nc(CC(C)(C)C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001293261506 1328647501 /nfs/dbraw/zinc/64/75/01/1328647501.db2.gz DGGJCIKBEJMXLX-UHFFFAOYSA-N -1 3 333.348 2.270 10 5 EEBEHM Cn1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1-c1ccncc1 ZINC001162049375 1320732522 /nfs/dbraw/zinc/73/25/22/1320732522.db2.gz LCRPUVBUDOWXMY-UHFFFAOYSA-N -1 3 330.329 2.037 10 5 EEBEHM COC(=O)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cs1 ZINC001350443295 1337713082 /nfs/dbraw/zinc/71/30/82/1337713082.db2.gz CUMSILKEILNVEH-UHFFFAOYSA-N -1 3 337.313 2.099 10 5 EEBEHM Cc1cc(=O)[n-]c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC001300202293 1338184906 /nfs/dbraw/zinc/18/49/06/1338184906.db2.gz WCPHCOBBALZYQT-UHFFFAOYSA-N -1 3 330.344 2.254 10 5 EEBEHM O=C(Nc1ccc(O)cc1[O-])c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001558156879 1342466397 /nfs/dbraw/zinc/46/63/97/1342466397.db2.gz WYSCMJCFTLTASX-UHFFFAOYSA-N -1 3 346.295 2.420 10 5 EEBEHM Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)c(N)c1[N+](=O)[O-] ZINC001639997424 1352703838 /nfs/dbraw/zinc/70/38/38/1352703838.db2.gz NEWYYDVLUBTQCJ-UHFFFAOYSA-N -1 3 330.279 2.148 10 5 EEBEHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OC[C@@H]1CCOC1 ZINC000907666611 784786030 /nfs/dbraw/zinc/78/60/30/784786030.db2.gz QORVRVKTXUKHIB-SNVBAGLBSA-N -1 3 328.752 2.265 10 5 EEBEHM C[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccc([N+](=O)[O-])cc1F ZINC001438686976 1091186046 /nfs/dbraw/zinc/18/60/46/1091186046.db2.gz OXDFUGAUYHTLBO-VIFPVBQESA-N -1 3 346.318 2.312 10 5 EEBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)[n-]1 ZINC001535601218 1123585259 /nfs/dbraw/zinc/58/52/59/1123585259.db2.gz POTDQFHXRHANMH-UHFFFAOYSA-N -1 3 347.228 2.442 10 5 EEBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nc(C(F)(F)F)n[n-]1 ZINC001535601218 1123585266 /nfs/dbraw/zinc/58/52/66/1123585266.db2.gz POTDQFHXRHANMH-UHFFFAOYSA-N -1 3 347.228 2.442 10 5 EEBEHM O=C([N-]c1noc2c1CCCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001539742786 1124065384 /nfs/dbraw/zinc/06/53/84/1124065384.db2.gz ZDRXQLOHZAOZED-UHFFFAOYSA-N -1 3 345.311 2.485 10 5 EEBEHM CCC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000079747158 217251625 /nfs/dbraw/zinc/25/16/25/217251625.db2.gz HDVPHDVITIQPBN-SECBINFHSA-N -1 3 336.797 2.342 10 5 EEBEHM O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1noc(-c2ccccc2[O-])n1 ZINC000436890116 315009729 /nfs/dbraw/zinc/00/97/29/315009729.db2.gz BDBMGAUZEHLTRN-UHFFFAOYSA-N -1 3 348.702 2.214 10 5 EEBEHM CC(C)N(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000064243958 462690933 /nfs/dbraw/zinc/69/09/33/462690933.db2.gz HLZXKDXNYIWXHU-UHFFFAOYSA-N -1 3 335.451 2.053 10 5 EEBEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121086907 463077101 /nfs/dbraw/zinc/07/71/01/463077101.db2.gz OGXQBOMCJHDTTE-CQSZACIVSA-N -1 3 330.406 2.060 10 5 EEBEHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000135557460 463173833 /nfs/dbraw/zinc/17/38/33/463173833.db2.gz YOPDMXLXKNMZDS-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000135557460 463173837 /nfs/dbraw/zinc/17/38/37/463173837.db2.gz YOPDMXLXKNMZDS-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000097163709 463340416 /nfs/dbraw/zinc/34/04/16/463340416.db2.gz ZYPXLRYDMQYMEK-UHFFFAOYSA-N -1 3 343.336 2.126 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCCO2)c1 ZINC000272457227 464619131 /nfs/dbraw/zinc/61/91/31/464619131.db2.gz KVKBMCDDYOCJIJ-SNVBAGLBSA-N -1 3 348.808 2.404 10 5 EEBEHM COc1cc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c([N+](=O)[O-])cc1F ZINC000295036884 464686051 /nfs/dbraw/zinc/68/60/51/464686051.db2.gz WHARBCGNAOYPKS-UHFFFAOYSA-N -1 3 335.295 2.380 10 5 EEBEHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273118226 464703775 /nfs/dbraw/zinc/70/37/75/464703775.db2.gz HELSWAMHXSDYTF-UWVGGRQHSA-N -1 3 344.389 2.094 10 5 EEBEHM CCC(CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273652211 464723261 /nfs/dbraw/zinc/72/32/61/464723261.db2.gz ZFIQSVHIXHCGGP-UHFFFAOYSA-N -1 3 344.389 2.096 10 5 EEBEHM CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC000248516617 464760416 /nfs/dbraw/zinc/76/04/16/464760416.db2.gz HCWQYHJPYJEJAT-NVXWUHKLSA-N -1 3 341.367 2.476 10 5 EEBEHM COc1cc(NCCNC(=O)c2ccc([O-])cc2)c([N+](=O)[O-])cc1F ZINC000301609154 465995140 /nfs/dbraw/zinc/99/51/40/465995140.db2.gz ATGITTBTJKUPJC-UHFFFAOYSA-N -1 3 349.318 2.290 10 5 EEBEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000322205513 466630466 /nfs/dbraw/zinc/63/04/66/466630466.db2.gz NKZKQMJGVGJEMC-UHFFFAOYSA-N -1 3 344.389 2.096 10 5 EEBEHM CC(C)C[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000591688979 468503250 /nfs/dbraw/zinc/50/32/50/468503250.db2.gz SKWPYERFFDCETC-GFCCVEGCSA-N -1 3 338.360 2.203 10 5 EEBEHM CC(C)([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000594578588 468625772 /nfs/dbraw/zinc/62/57/72/468625772.db2.gz HDZFEMMPLKVYGG-UHFFFAOYSA-N -1 3 336.360 2.491 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601383823 468851725 /nfs/dbraw/zinc/85/17/25/468851725.db2.gz QPCBKLYSTAMOHL-HTQZYQBOSA-N -1 3 334.419 2.199 10 5 EEBEHM CCC[C@]1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOC1 ZINC000601414543 468864712 /nfs/dbraw/zinc/86/47/12/468864712.db2.gz ADERPADRVLVUNV-LBPRGKRZSA-N -1 3 334.419 2.202 10 5 EEBEHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC000601425040 468868212 /nfs/dbraw/zinc/86/82/12/468868212.db2.gz LCOXCGCRYZCHNP-SCZZXKLOSA-N -1 3 336.435 2.304 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])s1 ZINC000601461436 468884092 /nfs/dbraw/zinc/88/40/92/468884092.db2.gz DPTWULYIIOHCLL-SNVBAGLBSA-N -1 3 347.462 2.116 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)nc1 ZINC000593540523 469024475 /nfs/dbraw/zinc/02/44/75/469024475.db2.gz ZKAKAAOOAOBECY-ZDUSSCGKSA-N -1 3 349.368 2.182 10 5 EEBEHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccn1 ZINC000593545898 469028945 /nfs/dbraw/zinc/02/89/45/469028945.db2.gz ZMRPTWYREGMHGD-CYBMUJFWSA-N -1 3 336.373 2.205 10 5 EEBEHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593550853 469030393 /nfs/dbraw/zinc/03/03/93/469030393.db2.gz LUDXNYOBFDCNQV-GFCCVEGCSA-N -1 3 335.385 2.380 10 5 EEBEHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)OC ZINC000593566439 469038866 /nfs/dbraw/zinc/03/88/66/469038866.db2.gz GUYZOEYDNCJJGL-ZDUSSCGKSA-N -1 3 345.421 2.109 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)nc1 ZINC000593606496 469056570 /nfs/dbraw/zinc/05/65/70/469056570.db2.gz SSCOYXSIWDPWKL-UHFFFAOYSA-N -1 3 325.390 2.239 10 5 EEBEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000599316233 469208060 /nfs/dbraw/zinc/20/80/60/469208060.db2.gz DJOMAWCFKXTAHU-UHFFFAOYSA-N -1 3 339.373 2.295 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599459278 469264814 /nfs/dbraw/zinc/26/48/14/469264814.db2.gz GFYWVENIVPNZMB-YDEXJTGXSA-N -1 3 348.808 2.338 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(=O)C1(C)CCCC1 ZINC000599472987 469269474 /nfs/dbraw/zinc/26/94/74/469269474.db2.gz VHPSATCLFPGTTR-UHFFFAOYSA-N -1 3 340.401 2.331 10 5 EEBEHM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000751979361 577763716 /nfs/dbraw/zinc/76/37/16/577763716.db2.gz QJRDBCIYZNPWMM-UHFFFAOYSA-N -1 3 349.206 2.436 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC2(CC2(F)F)C1 ZINC001118442620 1308857771 /nfs/dbraw/zinc/85/77/71/1308857771.db2.gz FBAGKWKOYUDRRZ-UHFFFAOYSA-N -1 3 332.328 2.369 10 5 EEBEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001164348304 1321357700 /nfs/dbraw/zinc/35/77/00/1321357700.db2.gz JWLSTCOSMUVGAG-UHFFFAOYSA-N -1 3 346.324 2.055 10 5 EEBEHM Cc1cccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1[N+](=O)[O-] ZINC001595602337 1349889944 /nfs/dbraw/zinc/88/99/44/1349889944.db2.gz FVLOFNRBTOEXAL-UHFFFAOYSA-N -1 3 328.328 2.206 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001639641402 1352700001 /nfs/dbraw/zinc/70/00/01/1352700001.db2.gz ZVZWERHCVPXGLW-NSHDSACASA-N -1 3 330.344 2.270 10 5 EEBEHM Cc1cc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001642173403 1352728425 /nfs/dbraw/zinc/72/84/25/1352728425.db2.gz ONDWDBCSVQGYCJ-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001642173403 1352728426 /nfs/dbraw/zinc/72/84/26/1352728426.db2.gz ONDWDBCSVQGYCJ-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCc2c(=O)[n-]cnc21 ZINC001438682278 1091180063 /nfs/dbraw/zinc/18/00/63/1091180063.db2.gz DGIITOHXJJASTK-UHFFFAOYSA-N -1 3 334.719 2.337 10 5 EEBEHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469716881 1110496000 /nfs/dbraw/zinc/49/60/00/1110496000.db2.gz XTGRAXUEELXVFJ-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2nccnc2SC)cc([N+](=O)[O-])c1 ZINC001532082234 1122638647 /nfs/dbraw/zinc/63/86/47/1122638647.db2.gz RYBQRXBIHGANPQ-UHFFFAOYSA-N -1 3 348.340 2.146 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001538229882 1124022666 /nfs/dbraw/zinc/02/26/66/1124022666.db2.gz LXMSJYBXCUTGBB-UHFFFAOYSA-N -1 3 333.201 2.432 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001538229882 1124022672 /nfs/dbraw/zinc/02/26/72/1124022672.db2.gz LXMSJYBXCUTGBB-UHFFFAOYSA-N -1 3 333.201 2.432 10 5 EEBEHM O=C(C=C1SC(=O)[N-]C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000039794519 213242598 /nfs/dbraw/zinc/24/25/98/213242598.db2.gz IRJISUDBFWHHRV-YWEYNIOJSA-N -1 3 327.705 2.054 10 5 EEBEHM CCOC(=O)CCC(=O)NC(=S)[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC000078546247 217071705 /nfs/dbraw/zinc/07/17/05/217071705.db2.gz LYAMPWKSFQECRI-UHFFFAOYSA-N -1 3 339.373 2.060 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289585966 275130031 /nfs/dbraw/zinc/13/00/31/275130031.db2.gz ZGSBWUSTWGUSKD-NWDGAFQWSA-N -1 3 331.376 2.255 10 5 EEBEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC000408284674 301691922 /nfs/dbraw/zinc/69/19/22/301691922.db2.gz BYMBXVDKSIBZJI-SCRDCRAPSA-N -1 3 340.401 2.139 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000083981326 463569900 /nfs/dbraw/zinc/56/99/00/463569900.db2.gz RDJOCUKODPAAKB-JOYOIKCWSA-N -1 3 348.808 2.402 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000172165407 464005942 /nfs/dbraw/zinc/00/59/42/464005942.db2.gz QFFKUJVWJZFNJI-SNVBAGLBSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCOCC2)c1 ZINC000180326957 464288102 /nfs/dbraw/zinc/28/81/02/464288102.db2.gz MVTCQSLBUGLHQG-JTQLQIEISA-N -1 3 348.808 2.404 10 5 EEBEHM CC(C)Oc1cc(C(=O)NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000412298745 467061649 /nfs/dbraw/zinc/06/16/49/467061649.db2.gz MTXPMXIEQLWKGM-UHFFFAOYSA-N -1 3 331.328 2.413 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594475865 468599433 /nfs/dbraw/zinc/59/94/33/468599433.db2.gz YEYAMBJMWGLGFC-ZFWWWQNUSA-N -1 3 340.401 2.221 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)nc1 ZINC000593551814 469031482 /nfs/dbraw/zinc/03/14/82/469031482.db2.gz FMNNQQVKHUHNSK-QWHCGFSZSA-N -1 3 325.390 2.237 10 5 EEBEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000593603656 469054174 /nfs/dbraw/zinc/05/41/74/469054174.db2.gz WTTXVWVAYZIODE-ZWNOBZJWSA-N -1 3 349.368 2.180 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC12CC2 ZINC000599522019 469283775 /nfs/dbraw/zinc/28/37/75/469283775.db2.gz YGRGSAYHOBARRA-LLVKDONJSA-N -1 3 340.401 2.462 10 5 EEBEHM O=C([N-]OCc1ccc(F)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000754723971 577811453 /nfs/dbraw/zinc/81/14/53/577811453.db2.gz OWNIHBVTLAIWBH-UHFFFAOYSA-N -1 3 348.286 2.367 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cs1 ZINC000796139639 1215322957 /nfs/dbraw/zinc/32/29/57/1215322957.db2.gz OCBSCCYBUDTDTA-UHFFFAOYSA-N -1 3 330.309 2.277 10 5 EEBEHM CCc1nn(C)c(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC001187732320 1279618751 /nfs/dbraw/zinc/61/87/51/1279618751.db2.gz GEROFBJTNCLNDI-RXMQYKEDSA-N -1 3 333.274 2.201 10 5 EEBEHM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nnc(-c2ccccc2[O-])o1 ZINC001188953587 1280077620 /nfs/dbraw/zinc/07/76/20/1280077620.db2.gz XLDCIZMTICPZKT-UHFFFAOYSA-N -1 3 348.702 2.214 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001295912505 1329853120 /nfs/dbraw/zinc/85/31/20/1329853120.db2.gz IHZIQLITMQPGNC-NWDGAFQWSA-N -1 3 344.327 2.237 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001295912505 1329853122 /nfs/dbraw/zinc/85/31/22/1329853122.db2.gz IHZIQLITMQPGNC-NWDGAFQWSA-N -1 3 344.327 2.237 10 5 EEBEHM CSc1ccccc1NC(=O)CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001559062877 1342496799 /nfs/dbraw/zinc/49/67/99/1342496799.db2.gz RDRGAERXYKPGJK-UHFFFAOYSA-N -1 3 348.384 2.492 10 5 EEBEHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC001597625927 1349929340 /nfs/dbraw/zinc/92/93/40/1349929340.db2.gz DYTDUTBOOPEOFW-UHFFFAOYSA-N -1 3 344.283 2.115 10 5 EEBEHM O=C(Nc1cc(F)ccc1[O-])c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001637889759 1352681876 /nfs/dbraw/zinc/68/18/76/1352681876.db2.gz YMCRVHHNEXAPDA-UHFFFAOYSA-N -1 3 343.274 2.273 10 5 EEBEHM Cc1cc(F)cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1[N+](=O)[O-] ZINC001640594823 1352712020 /nfs/dbraw/zinc/71/20/20/1352712020.db2.gz HTSINGQMXPRADS-SECBINFHSA-N -1 3 334.307 2.101 10 5 EEBEHM C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001647874144 1353406983 /nfs/dbraw/zinc/40/69/83/1353406983.db2.gz RPWIRMMUTRFZSV-SSDOTTSWSA-N -1 3 343.265 2.152 10 5 EEBEHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001651187906 1354042681 /nfs/dbraw/zinc/04/26/81/1354042681.db2.gz YPORWYHPTISKFH-RKDXNWHRSA-N -1 3 349.322 2.305 10 5 EEBEHM O=c1[n-]cnc2c1CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC001655385149 1354172265 /nfs/dbraw/zinc/17/22/65/1354172265.db2.gz JKFAOEMJGGWMPS-UHFFFAOYSA-N -1 3 341.249 2.067 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC001458599561 1109907475 /nfs/dbraw/zinc/90/74/75/1109907475.db2.gz WNIAKPBQMIDHMJ-JTQLQIEISA-N -1 3 333.323 2.229 10 5 EEBEHM O=C1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1c1ccccc1F ZINC001472795221 1110563284 /nfs/dbraw/zinc/56/32/84/1110563284.db2.gz UDJCPQHHRFUBFM-VIFPVBQESA-N -1 3 332.291 2.052 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(Cl)nc3s2)n1 ZINC001520051993 1119123114 /nfs/dbraw/zinc/12/31/14/1119123114.db2.gz MYXMRDUVANEZCQ-UHFFFAOYSA-N -1 3 338.736 2.239 10 5 EEBEHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1CO ZINC000156943054 292562132 /nfs/dbraw/zinc/56/21/32/292562132.db2.gz CLYTYSNAGUUMFC-UHFFFAOYSA-N -1 3 342.311 2.224 10 5 EEBEHM CC[C@H](C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)OC ZINC000289585235 275130067 /nfs/dbraw/zinc/13/00/67/275130067.db2.gz QMRUXMMWRAMIBV-SECBINFHSA-N -1 3 336.797 2.260 10 5 EEBEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000517748741 316689451 /nfs/dbraw/zinc/68/94/51/316689451.db2.gz QUYARPNNRFWTPA-PSASIEDQSA-N -1 3 336.435 2.040 10 5 EEBEHM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000451027037 467229410 /nfs/dbraw/zinc/22/94/10/467229410.db2.gz MLNPWPNJYSUOBI-UHFFFAOYSA-N -1 3 345.768 2.038 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCO1 ZINC000420715759 467460888 /nfs/dbraw/zinc/46/08/88/467460888.db2.gz BDUMQUFUWVFYLE-OLZOCXBDSA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601385195 468851960 /nfs/dbraw/zinc/85/19/60/468851960.db2.gz KHRJKJHEKWBWDI-WPRPVWTQSA-N -1 3 334.419 2.058 10 5 EEBEHM COC(=O)c1ccc(F)c2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000599132644 469131127 /nfs/dbraw/zinc/13/11/27/469131127.db2.gz HZANGDDVGQHQSA-UHFFFAOYSA-N -1 3 347.302 2.184 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000599481461 469271721 /nfs/dbraw/zinc/27/17/21/469271721.db2.gz DRVABLXMKBVRRX-CABZTGNLSA-N -1 3 346.792 2.094 10 5 EEBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000754375836 577805308 /nfs/dbraw/zinc/80/53/08/577805308.db2.gz KEZAUUOYQRKRJN-DHZHZOJOSA-N -1 3 340.339 2.079 10 5 EEBEHM CC1(C)[C@H](C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1(F)F ZINC000851819405 1291859727 /nfs/dbraw/zinc/85/97/27/1291859727.db2.gz CGKOBEAHHMDUFV-ZETCQYMHSA-N -1 3 326.346 2.226 10 5 EEBEHM COC(=O)c1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC001301643445 1331307019 /nfs/dbraw/zinc/30/70/19/1331307019.db2.gz DUXSIPDZICJURF-UHFFFAOYSA-N -1 3 337.313 2.104 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)n1 ZINC001319169522 1332660032 /nfs/dbraw/zinc/66/00/32/1332660032.db2.gz COPOOFWYSSLBLG-UHFFFAOYSA-N -1 3 341.776 2.483 10 5 EEBEHM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001561566099 1342528289 /nfs/dbraw/zinc/52/82/89/1342528289.db2.gz OGQWGVPSFJYVMO-UHFFFAOYSA-N -1 3 334.419 2.392 10 5 EEBEHM CC(C)(O)CO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001623313745 1352394416 /nfs/dbraw/zinc/39/44/16/1352394416.db2.gz YIIZKOPRLYQLKJ-UHFFFAOYSA-N -1 3 341.122 2.473 10 5 EEBEHM COc1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000805143159 811157637 /nfs/dbraw/zinc/15/76/37/811157637.db2.gz DTKOKQPKPRECQO-NSHDSACASA-N -1 3 336.316 2.070 10 5 EEBEHM CCOC(=O)c1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc1C ZINC000271038334 256201165 /nfs/dbraw/zinc/20/11/65/256201165.db2.gz QLSQTLMQHGZDHD-UHFFFAOYSA-N -1 3 338.345 2.127 10 5 EEBEHM Cc1sc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000364512085 165165395 /nfs/dbraw/zinc/16/53/95/165165395.db2.gz BHSCFKKIJOGMJO-UHFFFAOYSA-N -1 3 330.329 2.397 10 5 EEBEHM Cc1sc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000364512085 165165398 /nfs/dbraw/zinc/16/53/98/165165398.db2.gz BHSCFKKIJOGMJO-UHFFFAOYSA-N -1 3 330.329 2.397 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000158503007 225029462 /nfs/dbraw/zinc/02/94/62/225029462.db2.gz OJHPCQQFMBMBAX-PWSUYJOCSA-N -1 3 348.808 2.138 10 5 EEBEHM CCn1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000293512105 293227013 /nfs/dbraw/zinc/22/70/13/293227013.db2.gz OKLBOQLUOWGBGO-UHFFFAOYSA-N -1 3 327.247 2.060 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2c(n1)CCCC2 ZINC000414469053 313028792 /nfs/dbraw/zinc/02/87/92/313028792.db2.gz LMBWCAKGVFAGKP-UHFFFAOYSA-N -1 3 347.396 2.400 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC000451989560 315475179 /nfs/dbraw/zinc/47/51/79/315475179.db2.gz BZKNOKWMHOHYJU-UHFFFAOYSA-N -1 3 326.374 2.214 10 5 EEBEHM COC(=O)c1c(F)ccc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1F ZINC000562321468 318869229 /nfs/dbraw/zinc/86/92/29/318869229.db2.gz IBVCZJPWYRCOML-UHFFFAOYSA-N -1 3 337.238 2.307 10 5 EEBEHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC(C)CC1 ZINC000130926167 462784584 /nfs/dbraw/zinc/78/45/84/462784584.db2.gz KWPKNRWEWHOYBX-NSHDSACASA-N -1 3 347.462 2.055 10 5 EEBEHM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCCCC1 ZINC000183288597 464843560 /nfs/dbraw/zinc/84/35/60/464843560.db2.gz CIEYWWWWLTWMOA-NSHDSACASA-N -1 3 347.462 2.199 10 5 EEBEHM Cc1[nH]nc(C(=O)[N-]c2csc(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000353924669 466259278 /nfs/dbraw/zinc/25/92/78/466259278.db2.gz JRDWRFJSTZYQLW-UHFFFAOYSA-N -1 3 330.329 2.397 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1 ZINC000420727477 467465591 /nfs/dbraw/zinc/46/55/91/467465591.db2.gz OJHVQXICLDUACX-VHSXEESVSA-N -1 3 334.419 2.201 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601421779 468867346 /nfs/dbraw/zinc/86/73/46/468867346.db2.gz JQJWFIVFIYUDAU-UHFFFAOYSA-N -1 3 348.446 2.450 10 5 EEBEHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CCCC1 ZINC000601468185 468888027 /nfs/dbraw/zinc/88/80/27/468888027.db2.gz KNCQOXKRFMSPDD-NSHDSACASA-N -1 3 348.446 2.448 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599370466 469232230 /nfs/dbraw/zinc/23/22/30/469232230.db2.gz IHZXIPDFGZSKPC-UTUOFQBUSA-N -1 3 340.401 2.318 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C2 ZINC001301716665 1331309389 /nfs/dbraw/zinc/30/93/89/1331309389.db2.gz UAJCXFNZGVAFPQ-UHFFFAOYSA-N -1 3 334.719 2.208 10 5 EEBEHM CC[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc([N+](=O)[O-])c1 ZINC001616800963 1352332452 /nfs/dbraw/zinc/33/24/52/1352332452.db2.gz DPLHGZJQBCHWOT-CQSZACIVSA-N -1 3 344.371 2.404 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628244843 1352526977 /nfs/dbraw/zinc/52/69/77/1352526977.db2.gz GNQQXDVPGCAYHR-GCLPIYDQSA-N -1 3 328.328 2.053 10 5 EEBEHM COc1nsc(OC)c1C(=O)[N-]c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632259924 1352595272 /nfs/dbraw/zinc/59/52/72/1352595272.db2.gz HSYVGMJEIFFJGR-UHFFFAOYSA-N -1 3 349.328 2.197 10 5 EEBEHM Cc1cc(N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])s1 ZINC001643180863 1352741805 /nfs/dbraw/zinc/74/18/05/1352741805.db2.gz WHELPCWMVZWXTL-SNVBAGLBSA-N -1 3 335.389 2.460 10 5 EEBEHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502912 789891224 /nfs/dbraw/zinc/89/12/24/789891224.db2.gz PRGKBXYLKOLRMH-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC001128322443 798854298 /nfs/dbraw/zinc/85/42/98/798854298.db2.gz YZLXSIDENGXSKF-UHFFFAOYSA-N -1 3 331.263 2.375 10 5 EEBEHM C[C@@H]1CCCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001441355627 1094870917 /nfs/dbraw/zinc/87/09/17/1094870917.db2.gz USDVJUBCZKZKDQ-SNVBAGLBSA-N -1 3 341.795 2.416 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452726837 1105664141 /nfs/dbraw/zinc/66/41/41/1105664141.db2.gz NTSHKAPCURVYKD-SECBINFHSA-N -1 3 334.307 2.101 10 5 EEBEHM Cc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1N1CCOCC1=O ZINC001458667535 1109928730 /nfs/dbraw/zinc/92/87/30/1109928730.db2.gz OCRRYUMUYUPMOK-UHFFFAOYSA-N -1 3 344.327 2.111 10 5 EEBEHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001540013310 1124071833 /nfs/dbraw/zinc/07/18/33/1124071833.db2.gz FNPUJQLHAIOILE-UHFFFAOYSA-N -1 3 336.329 2.079 10 5 EEBEHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001540013310 1124071838 /nfs/dbraw/zinc/07/18/38/1124071838.db2.gz FNPUJQLHAIOILE-UHFFFAOYSA-N -1 3 336.329 2.079 10 5 EEBEHM CCC[C@]1([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOC1 ZINC000352333795 284092298 /nfs/dbraw/zinc/09/22/98/284092298.db2.gz WPVXYSQNXQHBQU-HNNXBMFYSA-N -1 3 342.417 2.449 10 5 EEBEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000517748742 316689415 /nfs/dbraw/zinc/68/94/15/316689415.db2.gz QUYARPNNRFWTPA-SCZZXKLOSA-N -1 3 336.435 2.040 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000569709878 319601495 /nfs/dbraw/zinc/60/14/95/319601495.db2.gz ILEKDTAUHXPCPK-ZCFIWIBFSA-N -1 3 333.416 2.461 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000067877453 463062531 /nfs/dbraw/zinc/06/25/31/463062531.db2.gz OLSZKJYTQAHXLR-UONOGXRCSA-N -1 3 348.380 2.438 10 5 EEBEHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2COc3ccccc32)cc1 ZINC000058507098 463605536 /nfs/dbraw/zinc/60/55/36/463605536.db2.gz NGUDZEUAKLXEKW-AWEZNQCLSA-N -1 3 334.353 2.148 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178914741 464013150 /nfs/dbraw/zinc/01/31/50/464013150.db2.gz BXKOEHVDFFGYRF-UHFFFAOYSA-N -1 3 335.385 2.209 10 5 EEBEHM Cc1ccc(CN(CCN(C)C)C(=O)c2cccc([O-])c2[N+](=O)[O-])o1 ZINC000281056178 464315853 /nfs/dbraw/zinc/31/58/53/464315853.db2.gz YBMPZIXYWGDZLF-UHFFFAOYSA-N -1 3 347.371 2.406 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000272444127 464611546 /nfs/dbraw/zinc/61/15/46/464611546.db2.gz ITJFYVPPXKXFAC-QMMMGPOBSA-N -1 3 336.822 2.340 10 5 EEBEHM COc1cc(CNc2cncc(OC(C)C)n2)c([N+](=O)[O-])cc1[O-] ZINC000593946778 468441453 /nfs/dbraw/zinc/44/14/53/468441453.db2.gz LAPDJTFDGVBLDD-UHFFFAOYSA-N -1 3 334.332 2.498 10 5 EEBEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852213 468705257 /nfs/dbraw/zinc/70/52/57/468705257.db2.gz OLVWWXWKQBASHQ-GXSJLCMTSA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCCOCC(C)C)c([N+](=O)[O-])s1 ZINC000601292496 468812838 /nfs/dbraw/zinc/81/28/38/468812838.db2.gz OMEJMHJHXAGYBX-UHFFFAOYSA-N -1 3 336.435 2.306 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCN2CCCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601306642 468819099 /nfs/dbraw/zinc/81/90/99/468819099.db2.gz NPRRPBZGPMMYBL-JTQLQIEISA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601356222 468838437 /nfs/dbraw/zinc/83/84/37/468838437.db2.gz KCMWKRRPZQMQFP-FBIMIBRVSA-N -1 3 346.430 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601434179 468871937 /nfs/dbraw/zinc/87/19/37/468871937.db2.gz PAHLKBBFBCGMSQ-SNVBAGLBSA-N -1 3 334.419 2.060 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601461492 468883748 /nfs/dbraw/zinc/88/37/48/468883748.db2.gz FUBZZEASASVOHM-UHFFFAOYSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@@H]2C)c1[N+](=O)[O-] ZINC000601500553 468895594 /nfs/dbraw/zinc/89/55/94/468895594.db2.gz YNLMAYJEEDUFRK-QJPTWQEYSA-N -1 3 328.390 2.056 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCCCC2)nc1 ZINC000593526459 469018064 /nfs/dbraw/zinc/01/80/64/469018064.db2.gz CQEYWEZRRKDDCR-UHFFFAOYSA-N -1 3 343.405 2.008 10 5 EEBEHM Cc1noc(C)c1CO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596197149 469197498 /nfs/dbraw/zinc/19/74/98/469197498.db2.gz LBIBPSPSKHUFFH-LLVKDONJSA-N -1 3 334.332 2.096 10 5 EEBEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000599316263 469207832 /nfs/dbraw/zinc/20/78/32/469207832.db2.gz DYWPIXSVAICGLW-UHFFFAOYSA-N -1 3 339.373 2.295 10 5 EEBEHM Cn1[n-]c([C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])nc1=N ZINC000596252388 469221904 /nfs/dbraw/zinc/22/19/04/469221904.db2.gz KALCZBJQVURDRG-ZDUSSCGKSA-N -1 3 339.359 2.026 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1C ZINC000599459408 469264999 /nfs/dbraw/zinc/26/49/99/469264999.db2.gz JACCQAUPFIKFER-UHXUPSOCSA-N -1 3 342.417 2.302 10 5 EEBEHM C[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000727541728 576435023 /nfs/dbraw/zinc/43/50/23/576435023.db2.gz CMINLJHMIXMHER-LLVKDONJSA-N -1 3 344.323 2.335 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001157105749 1318406607 /nfs/dbraw/zinc/40/66/07/1318406607.db2.gz WMEVZWFDUKNMQT-UHFFFAOYSA-N -1 3 332.316 2.064 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001157105749 1318406613 /nfs/dbraw/zinc/40/66/13/1318406613.db2.gz WMEVZWFDUKNMQT-UHFFFAOYSA-N -1 3 332.316 2.064 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC001583570622 1344918884 /nfs/dbraw/zinc/91/88/84/1344918884.db2.gz IALLWPGQKLUOAQ-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC001583570622 1344918887 /nfs/dbraw/zinc/91/88/87/1344918887.db2.gz IALLWPGQKLUOAQ-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM CC(C)(C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccc([N+](=O)[O-])cc1 ZINC001624726056 1352428919 /nfs/dbraw/zinc/42/89/19/1352428919.db2.gz ZUPMKCYATXBKOQ-UHFFFAOYSA-N -1 3 342.355 2.347 10 5 EEBEHM C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001655615003 1354179686 /nfs/dbraw/zinc/17/96/86/1354179686.db2.gz SADRJFULKQMPCG-UWVGGRQHSA-N -1 3 331.332 2.166 10 5 EEBEHM O=C([O-])c1cccc2c1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000846275737 790111903 /nfs/dbraw/zinc/11/19/03/790111903.db2.gz JSUFOMWRLNTKPF-QGZVFWFLSA-N -1 3 342.351 2.385 10 5 EEBEHM CC(C)(C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1[N+](=O)[O-] ZINC001469716224 1110495963 /nfs/dbraw/zinc/49/59/63/1110495963.db2.gz SQSXSQCDUYGWBW-LLVKDONJSA-N -1 3 344.371 2.317 10 5 EEBEHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000004263865 210155263 /nfs/dbraw/zinc/15/52/63/210155263.db2.gz YCXQDISVCNFGRR-QPJJXVBHSA-N -1 3 337.291 2.130 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(O)c1 ZINC000160181320 237236599 /nfs/dbraw/zinc/23/65/99/237236599.db2.gz WTCACCYIGZYUNJ-MRVPVSSYSA-N -1 3 328.371 2.401 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000344956129 161259058 /nfs/dbraw/zinc/25/90/58/161259058.db2.gz GVFIVMGASHHRDC-SNVBAGLBSA-N -1 3 346.430 2.025 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC1CC1 ZINC000346032388 161351521 /nfs/dbraw/zinc/35/15/21/161351521.db2.gz XAUYFNSZYHTGDM-SNVBAGLBSA-N -1 3 328.390 2.460 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3cccnc3)s2)n1 ZINC000359351418 164117929 /nfs/dbraw/zinc/11/79/29/164117929.db2.gz PINOWYJRCHXVER-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM COC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000180193137 293155619 /nfs/dbraw/zinc/15/56/19/293155619.db2.gz YLJUHLJQOHIMGG-JTQLQIEISA-N -1 3 348.808 2.260 10 5 EEBEHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000170735173 311394802 /nfs/dbraw/zinc/39/48/02/311394802.db2.gz GEPMCNIUOUJSOR-LLVKDONJSA-N -1 3 342.398 2.322 10 5 EEBEHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000339134702 312251775 /nfs/dbraw/zinc/25/17/75/312251775.db2.gz IZQACFPSBGPZBD-UHFFFAOYSA-N -1 3 343.387 2.191 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000570059785 319633241 /nfs/dbraw/zinc/63/32/41/319633241.db2.gz DZUWEWZBWAPLLG-MRVPVSSYSA-N -1 3 343.386 2.099 10 5 EEBEHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064240828 462689084 /nfs/dbraw/zinc/68/90/84/462689084.db2.gz WMIYKZVDMRLPDD-UHFFFAOYSA-N -1 3 328.371 2.143 10 5 EEBEHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3ccccn3)cs2)c1[N+](=O)[O-] ZINC000064354442 462698358 /nfs/dbraw/zinc/69/83/58/462698358.db2.gz ZZBQZVNLNLPNHA-UHFFFAOYSA-N -1 3 330.329 2.397 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000133695060 462960402 /nfs/dbraw/zinc/96/04/02/462960402.db2.gz LZTHFOJLLDDOSY-UHFFFAOYSA-N -1 3 334.781 2.060 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000599520345 469282862 /nfs/dbraw/zinc/28/28/62/469282862.db2.gz KFUUJNPHUIQJIL-LLVKDONJSA-N -1 3 340.401 2.462 10 5 EEBEHM O=c1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)nc[n-]1 ZINC001164302515 1321344315 /nfs/dbraw/zinc/34/43/15/1321344315.db2.gz BCRKZYABBVRNRJ-VIFPVBQESA-N -1 3 335.751 2.435 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628244846 1352527082 /nfs/dbraw/zinc/52/70/82/1352527082.db2.gz GNQQXDVPGCAYHR-UXONFWTHSA-N -1 3 328.328 2.053 10 5 EEBEHM C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001652273431 1354084855 /nfs/dbraw/zinc/08/48/55/1354084855.db2.gz ROYLNGLRYWVBPK-BYPYZUCNSA-N -1 3 336.661 2.375 10 5 EEBEHM CC(=O)CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001663333110 1354949835 /nfs/dbraw/zinc/94/98/35/1354949835.db2.gz IGTWMTPICKXJRE-UHFFFAOYSA-N -1 3 332.353 2.162 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000172985551 797773160 /nfs/dbraw/zinc/77/31/60/797773160.db2.gz PCNHQOKOGFHAQT-SSDOTTSWSA-N -1 3 349.206 2.434 10 5 EEBEHM COc1cc([C@@H]2NC(=O)c3ccc(F)cc3N2)c([N+](=O)[O-])cc1[O-] ZINC000917502735 798245601 /nfs/dbraw/zinc/24/56/01/798245601.db2.gz SGLWWYQTJNXPHX-AWEZNQCLSA-N -1 3 333.275 2.302 10 5 EEBEHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC001536199896 1123661774 /nfs/dbraw/zinc/66/17/74/1123661774.db2.gz HURLLWWUDZARBC-UHFFFAOYSA-N -1 3 348.746 2.266 10 5 EEBEHM CO[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000050373783 214054807 /nfs/dbraw/zinc/05/48/07/214054807.db2.gz KIPMRXKLCHMXNY-PWSUYJOCSA-N -1 3 334.781 2.094 10 5 EEBEHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000050015893 214040879 /nfs/dbraw/zinc/04/08/79/214040879.db2.gz HJUZDXVSCSJWRF-UHFFFAOYSA-N -1 3 327.749 2.122 10 5 EEBEHM CCC[C@@]1([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOC1 ZINC000352311866 153050920 /nfs/dbraw/zinc/05/09/20/153050920.db2.gz ZZRTZAAUMPYSDZ-OAHLLOKOSA-N -1 3 342.417 2.449 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C1CCC1 ZINC000451873259 315461127 /nfs/dbraw/zinc/46/11/27/315461127.db2.gz UVCNKPZMRWHPEB-UHFFFAOYSA-N -1 3 328.390 2.460 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(F)(F)F ZINC000362095065 466552655 /nfs/dbraw/zinc/55/26/55/466552655.db2.gz PJPWSJNJOHHQRY-ZETCQYMHSA-N -1 3 342.295 2.223 10 5 EEBEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(C)(C)C ZINC000322122658 466630482 /nfs/dbraw/zinc/63/04/82/466630482.db2.gz MBRRUPWKBYPOOS-SECBINFHSA-N -1 3 344.389 2.094 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C2CCC2)c([N+](=O)[O-])c1 ZINC000451864924 467276435 /nfs/dbraw/zinc/27/64/35/467276435.db2.gz JIBQMFGOWQWBAM-UHFFFAOYSA-N -1 3 328.390 2.460 10 5 EEBEHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601349502 468835224 /nfs/dbraw/zinc/83/52/24/468835224.db2.gz DDHPEAQWYJEKAV-SNVBAGLBSA-N -1 3 336.435 2.448 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC12CC2 ZINC000601481865 468891369 /nfs/dbraw/zinc/89/13/69/468891369.db2.gz KIQGUFZEXJEOSU-ZDUSSCGKSA-N -1 3 326.374 2.214 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC1CCC1 ZINC000601514454 468902905 /nfs/dbraw/zinc/90/29/05/468902905.db2.gz YOENFOHAJUBKEO-SNVBAGLBSA-N -1 3 328.390 2.460 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C2CC2)nc1 ZINC000593601543 469055156 /nfs/dbraw/zinc/05/51/56/469055156.db2.gz VJVNBKORQDILID-HNNXBMFYSA-N -1 3 347.396 2.462 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)nc1 ZINC000593605266 469056171 /nfs/dbraw/zinc/05/61/71/469056171.db2.gz FHENWYAHYLGPIT-UHFFFAOYSA-N -1 3 335.332 2.092 10 5 EEBEHM COc1cc(CNC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1OC ZINC000596658495 469324813 /nfs/dbraw/zinc/32/48/13/469324813.db2.gz SDOBGQJYOMUAPD-GFCCVEGCSA-N -1 3 338.360 2.203 10 5 EEBEHM CC(C)n1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1 ZINC000459895307 535055569 /nfs/dbraw/zinc/05/55/69/535055569.db2.gz FWFRXALBSZUVEB-UHFFFAOYSA-N -1 3 347.331 2.181 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc(C)n1 ZINC001333245431 1335988459 /nfs/dbraw/zinc/98/84/59/1335988459.db2.gz QABICLSPKZIKNC-UHFFFAOYSA-N -1 3 335.385 2.446 10 5 EEBEHM COC(=O)c1cc(C(=O)[N-]c2nccc3cc([N+](=O)[O-])ccc32)no1 ZINC001617085932 1352336138 /nfs/dbraw/zinc/33/61/38/1352336138.db2.gz OGYNEWHXUCFKAA-UHFFFAOYSA-N -1 3 342.267 2.170 10 5 EEBEHM CCN1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001597287430 1349921600 /nfs/dbraw/zinc/92/16/00/1349921600.db2.gz JCLMCFHCZMQINS-JTQLQIEISA-N -1 3 327.768 2.168 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OCc2ccccn2)c1 ZINC001637586841 1352678816 /nfs/dbraw/zinc/67/88/16/1352678816.db2.gz NERVLHBICJHDSK-UHFFFAOYSA-N -1 3 331.328 2.315 10 5 EEBEHM O=C(Nc1ccnc(N2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001639593918 1352699709 /nfs/dbraw/zinc/69/97/09/1352699709.db2.gz VAIRCHSREIAPRS-UHFFFAOYSA-N -1 3 343.343 2.333 10 5 EEBEHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)nn1 ZINC001182599713 801271849 /nfs/dbraw/zinc/27/18/49/801271849.db2.gz DDHXRPQECQJPRY-UHFFFAOYSA-N -1 3 345.706 2.076 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000055415377 214322787 /nfs/dbraw/zinc/32/27/87/214322787.db2.gz MHXWOTDTVNZZMC-UHFFFAOYSA-N -1 3 326.374 2.070 10 5 EEBEHM CCCCN1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068902521 215344960 /nfs/dbraw/zinc/34/49/60/215344960.db2.gz PWCAQGPWFKYBNT-UHFFFAOYSA-N -1 3 347.462 2.199 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCO)CCC2)c(Cl)c1 ZINC000127390553 292324644 /nfs/dbraw/zinc/32/46/44/292324644.db2.gz BNHYUSFZFXPYKB-UHFFFAOYSA-N -1 3 348.808 2.079 10 5 EEBEHM CCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000131396209 292386989 /nfs/dbraw/zinc/38/69/89/292386989.db2.gz KULGDLMYJFAADP-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM CN(C)CCOc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000351964299 162004610 /nfs/dbraw/zinc/00/46/10/162004610.db2.gz KLUAVPCGOVMZLK-UHFFFAOYSA-N -1 3 345.355 2.493 10 5 EEBEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000352632441 162220213 /nfs/dbraw/zinc/22/02/13/162220213.db2.gz CCMSOUJXONZJNN-UHFFFAOYSA-N -1 3 345.764 2.066 10 5 EEBEHM COC(=O)CCCO[N-]C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000288731954 275082844 /nfs/dbraw/zinc/08/28/44/275082844.db2.gz FSTODXMVRIXIBZ-UHFFFAOYSA-N -1 3 325.321 2.218 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c1C ZINC000416662831 313289562 /nfs/dbraw/zinc/28/95/62/313289562.db2.gz RJOLRCAPJVMREZ-QWHCGFSZSA-N -1 3 342.417 2.041 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000580068831 323986873 /nfs/dbraw/zinc/98/68/73/323986873.db2.gz XPECBTQXIGFANI-NXEZZACHSA-N -1 3 332.353 2.162 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CC(F)(F)F)cs2)n1 ZINC000341278566 465089125 /nfs/dbraw/zinc/08/91/25/465089125.db2.gz MIBVDSABZVVKFP-UHFFFAOYSA-N -1 3 335.267 2.142 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000113428536 462594032 /nfs/dbraw/zinc/59/40/32/462594032.db2.gz JORLHTGNJXOCFP-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123177054 463321993 /nfs/dbraw/zinc/32/19/93/463321993.db2.gz UYWBHTNMPGYMSX-JTQLQIEISA-N -1 3 347.462 2.117 10 5 EEBEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594853366 468706223 /nfs/dbraw/zinc/70/62/23/468706223.db2.gz YEGKOEZDZIVVJR-ONGXEEELSA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCOCCC(C)C)c([N+](=O)[O-])s1 ZINC000601321378 468825730 /nfs/dbraw/zinc/82/57/30/468825730.db2.gz KNFFUGCVRLBBMF-UHFFFAOYSA-N -1 3 336.435 2.306 10 5 EEBEHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1(C)C ZINC000601367228 468844263 /nfs/dbraw/zinc/84/42/63/468844263.db2.gz NZXIFTNHBKCYDC-VHSXEESVSA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601388980 468853618 /nfs/dbraw/zinc/85/36/18/468853618.db2.gz BIHOEUVGXRYIFQ-DGCLKSJQSA-N -1 3 346.430 2.201 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@H]2C)cc1C ZINC000601500575 468895656 /nfs/dbraw/zinc/89/56/56/468895656.db2.gz YTKDPYDGROAGTN-SDDRHHMPSA-N -1 3 328.390 2.056 10 5 EEBEHM O=C([N-]OCc1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000757612051 577861255 /nfs/dbraw/zinc/86/12/55/577861255.db2.gz RRTCQDSQNWDOBW-UHFFFAOYSA-N -1 3 348.286 2.367 10 5 EEBEHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000800153239 1202213760 /nfs/dbraw/zinc/21/37/60/1202213760.db2.gz AHGWKASURVPPHL-UHFFFAOYSA-N -1 3 347.805 2.492 10 5 EEBEHM COc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001141987474 1315410714 /nfs/dbraw/zinc/41/07/14/1315410714.db2.gz HIDSHHCSMZAXAQ-UHFFFAOYSA-N -1 3 334.303 2.307 10 5 EEBEHM C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157233778 1318507202 /nfs/dbraw/zinc/50/72/02/1318507202.db2.gz KWNGKJZFOGVNDO-YFKPBYRVSA-N -1 3 347.228 2.362 10 5 EEBEHM CCOC(=O)c1cc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)cc1C ZINC001612661710 1352310718 /nfs/dbraw/zinc/31/07/18/1352310718.db2.gz REEAQJPKFJTKSX-NSHDSACASA-N -1 3 348.359 2.004 10 5 EEBEHM COc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC001558927266 1342493143 /nfs/dbraw/zinc/49/31/43/1342493143.db2.gz OKQQERHSIJYXQZ-UHFFFAOYSA-N -1 3 329.272 2.234 10 5 EEBEHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001597924054 1349933573 /nfs/dbraw/zinc/93/35/73/1349933573.db2.gz HUYIHQLRRFFMRB-ZCFIWIBFSA-N -1 3 329.238 2.223 10 5 EEBEHM O=c1[n-]ccc(NCCc2cnc3c(Cl)cnn3c2)c1[N+](=O)[O-] ZINC001642736409 1352736849 /nfs/dbraw/zinc/73/68/49/1352736849.db2.gz CBIAFEZXARPDTG-UHFFFAOYSA-N -1 3 334.723 2.046 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC001144393267 789675376 /nfs/dbraw/zinc/67/53/76/789675376.db2.gz ZKYPDJFTVMMMDC-UHFFFAOYSA-N -1 3 344.371 2.383 10 5 EEBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC001529745506 1121567952 /nfs/dbraw/zinc/56/79/52/1121567952.db2.gz HSKQIGQWYWQTJP-UHFFFAOYSA-N -1 3 331.263 2.375 10 5 EEBEHM Cc1ccc(C[N-]S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])s1 ZINC000050661081 214064777 /nfs/dbraw/zinc/06/47/77/214064777.db2.gz DLQZVMACOGGEBR-UHFFFAOYSA-N -1 3 327.387 2.025 10 5 EEBEHM CCC(CC)(CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000053072496 214162673 /nfs/dbraw/zinc/16/26/73/214162673.db2.gz SWYVUHYNDNEBMM-UHFFFAOYSA-N -1 3 336.797 2.078 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000451961143 243326717 /nfs/dbraw/zinc/32/67/17/243326717.db2.gz RUPBDZSLDFOGQQ-UHFFFAOYSA-N -1 3 339.373 2.186 10 5 EEBEHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194405551 160193403 /nfs/dbraw/zinc/19/34/03/160193403.db2.gz DBPVVMKLDLLTQR-UHFFFAOYSA-N -1 3 347.462 2.198 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2Br)n1 ZINC000342363705 161059714 /nfs/dbraw/zinc/05/97/14/161059714.db2.gz SXGDPGYJVZJKHX-UHFFFAOYSA-N -1 3 343.112 2.482 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000343965238 161185121 /nfs/dbraw/zinc/18/51/21/161185121.db2.gz FDYAUJRRYYJTAD-LLVKDONJSA-N -1 3 346.430 2.167 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]CCC2(F)CCC2)c([N+](=O)[O-])c1 ZINC000344954836 161258937 /nfs/dbraw/zinc/25/89/37/161258937.db2.gz RWGNZCQIOCLUPU-UHFFFAOYSA-N -1 3 332.353 2.164 10 5 EEBEHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000352986758 162376190 /nfs/dbraw/zinc/37/61/90/162376190.db2.gz NVDBDJNLRSTHKX-GFCCVEGCSA-N -1 3 342.315 2.298 10 5 EEBEHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000290622482 275223544 /nfs/dbraw/zinc/22/35/44/275223544.db2.gz FUSRAENYFZWCEC-HNNXBMFYSA-N -1 3 325.340 2.451 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1cscn1 ZINC000567250170 319364144 /nfs/dbraw/zinc/36/41/44/319364144.db2.gz CNSRIGKZMVOOJZ-QMMMGPOBSA-N -1 3 343.386 2.099 10 5 EEBEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000581948613 324349848 /nfs/dbraw/zinc/34/98/48/324349848.db2.gz SZGFDDSOMJAYMT-ZWNOBZJWSA-N -1 3 344.433 2.287 10 5 EEBEHM CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000154214683 462741827 /nfs/dbraw/zinc/74/18/27/462741827.db2.gz SVNDVHGETIRRMN-CQSZACIVSA-N -1 3 329.356 2.333 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C1CCCC1 ZINC000172165403 464005637 /nfs/dbraw/zinc/00/56/37/464005637.db2.gz QFFKUJVWJZFNJI-JTQLQIEISA-N -1 3 328.390 2.460 10 5 EEBEHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000337516913 465410265 /nfs/dbraw/zinc/41/02/65/465410265.db2.gz QTASOVBKCWCMLA-UHFFFAOYSA-N -1 3 333.300 2.273 10 5 EEBEHM CN(C)Cc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000348658222 465731898 /nfs/dbraw/zinc/73/18/98/465731898.db2.gz VXDCOAGDUMERTL-UHFFFAOYSA-N -1 3 329.356 2.292 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CNc2ccccc2C1 ZINC000404446050 467475523 /nfs/dbraw/zinc/47/55/23/467475523.db2.gz CKSTXRJSXJIVJU-CYBMUJFWSA-N -1 3 347.396 2.218 10 5 EEBEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594479432 468601103 /nfs/dbraw/zinc/60/11/03/468601103.db2.gz AYKGXSQFSHTGLN-HOMQSWHASA-N -1 3 346.380 2.358 10 5 EEBEHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(O)cc1[O-] ZINC000584029817 468787257 /nfs/dbraw/zinc/78/72/57/468787257.db2.gz VUGDKKPIXLPKHP-UHFFFAOYSA-N -1 3 341.323 2.460 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCCN2CCCCC2)c([N+](=O)[O-])s1 ZINC000601292510 468813100 /nfs/dbraw/zinc/81/31/00/468813100.db2.gz PBXWAQFSMIWGHO-UHFFFAOYSA-N -1 3 347.462 2.119 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCC(O)CC2)c1C ZINC000595352923 468822521 /nfs/dbraw/zinc/82/25/21/468822521.db2.gz NBAFGADJCCYCTG-UHFFFAOYSA-N -1 3 342.417 2.041 10 5 EEBEHM CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)N1 ZINC000598531049 468902230 /nfs/dbraw/zinc/90/22/30/468902230.db2.gz FGOWGFWVKKFBHO-WCBMZHEXSA-N -1 3 327.768 2.166 10 5 EEBEHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593561098 469036104 /nfs/dbraw/zinc/03/61/04/469036104.db2.gz JIVLELKXKODWKF-PWSUYJOCSA-N -1 3 345.446 2.332 10 5 EEBEHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593561097 469035999 /nfs/dbraw/zinc/03/59/99/469035999.db2.gz JIVLELKXKODWKF-JQWIXIFHSA-N -1 3 345.446 2.332 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C2CC2)nc1 ZINC000593601544 469055146 /nfs/dbraw/zinc/05/51/46/469055146.db2.gz VJVNBKORQDILID-OAHLLOKOSA-N -1 3 347.396 2.462 10 5 EEBEHM O=C1[N-]c2c(c(Br)c([N+](=O)[O-])cc2Br)C1=O ZINC000757186045 577858322 /nfs/dbraw/zinc/85/83/22/577858322.db2.gz FRWGTBXIJNRBBO-UHFFFAOYSA-N -1 3 349.922 2.255 10 5 EEBEHM O=C(Nc1cccc(F)c1)OC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001186422460 1279100092 /nfs/dbraw/zinc/10/00/92/1279100092.db2.gz UQEUHJCINYKOKU-UHFFFAOYSA-N -1 3 348.290 2.272 10 5 EEBEHM O=c1[n-]ccc(N2CCC[C@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000853581606 1292420108 /nfs/dbraw/zinc/42/01/08/1292420108.db2.gz WJYSVMFUUTZKLP-KRWDZBQOSA-N -1 3 329.356 2.226 10 5 EEBEHM C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001612539203 1352308768 /nfs/dbraw/zinc/30/87/68/1352308768.db2.gz QMZKLUJITKBMRD-JGVFFNPUSA-N -1 3 337.361 2.227 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)n1 ZINC001652277674 1354085440 /nfs/dbraw/zinc/08/54/40/1354085440.db2.gz QLLJMODERSXXRY-UHFFFAOYSA-N -1 3 344.375 2.183 10 5 EEBEHM CCCNC(=O)c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001136026249 785019926 /nfs/dbraw/zinc/01/99/26/785019926.db2.gz PFBYPFMHJGTAJX-UHFFFAOYSA-N -1 3 344.327 2.088 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001450049814 1105175355 /nfs/dbraw/zinc/17/53/55/1105175355.db2.gz IOVCGLYPNBJMRB-UHFFFAOYSA-N -1 3 328.284 2.438 10 5 EEBEHM Cc1cnc2nc(C(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)nn2c1 ZINC001525687601 1120349272 /nfs/dbraw/zinc/34/92/72/1120349272.db2.gz BRJCZPLUDBQNSD-UHFFFAOYSA-N -1 3 332.707 2.247 10 5 EEBEHM CS(=O)(=O)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)co1 ZINC001540022365 1124072079 /nfs/dbraw/zinc/07/20/79/1124072079.db2.gz ZVTUMSITRCFMMR-UHFFFAOYSA-N -1 3 344.732 2.497 10 5 EEBEHM CN(C)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000159922807 237226295 /nfs/dbraw/zinc/22/62/95/237226295.db2.gz QBJKDASASPJLSY-AWEZNQCLSA-N -1 3 329.356 2.333 10 5 EEBEHM Cc1nn2c(nnc2S[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000114860516 152002108 /nfs/dbraw/zinc/00/21/08/152002108.db2.gz AXYZZZDYOFRROD-QMMMGPOBSA-N -1 3 332.345 2.295 10 5 EEBEHM Cc1ccn(-c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000185841668 160049585 /nfs/dbraw/zinc/04/95/85/160049585.db2.gz YLWSGIKLPWMTSO-UHFFFAOYSA-N -1 3 339.311 2.442 10 5 EEBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000376395488 167317070 /nfs/dbraw/zinc/31/70/70/167317070.db2.gz DXRHLPWIQBSMEU-UHFFFAOYSA-N -1 3 330.329 2.397 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289585974 275130059 /nfs/dbraw/zinc/13/00/59/275130059.db2.gz ZGSBWUSTWGUSKD-VXGBXAGGSA-N -1 3 331.376 2.255 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]CCCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000297018184 294130468 /nfs/dbraw/zinc/13/04/68/294130468.db2.gz KKRSGPCYLAZAFB-UHFFFAOYSA-N -1 3 338.332 2.317 10 5 EEBEHM CNc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1[N+](=O)[O-] ZINC000533261687 448380284 /nfs/dbraw/zinc/38/02/84/448380284.db2.gz GMJBRDFFJWKHHD-UHFFFAOYSA-N -1 3 341.331 2.012 10 5 EEBEHM CNc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1[N+](=O)[O-] ZINC000533261687 448380289 /nfs/dbraw/zinc/38/02/89/448380289.db2.gz GMJBRDFFJWKHHD-UHFFFAOYSA-N -1 3 341.331 2.012 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000030494572 463300558 /nfs/dbraw/zinc/30/05/58/463300558.db2.gz LKEZEVMQYCIYMI-UHFFFAOYSA-N -1 3 336.369 2.390 10 5 EEBEHM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCCCC1 ZINC000183288617 464843649 /nfs/dbraw/zinc/84/36/49/464843649.db2.gz CIEYWWWWLTWMOA-LLVKDONJSA-N -1 3 347.462 2.199 10 5 EEBEHM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(=O)c2ccccc2[n-]1 ZINC000359510157 465422419 /nfs/dbraw/zinc/42/24/19/465422419.db2.gz GDYIVAZQSNVRLF-UHFFFAOYSA-N -1 3 337.335 2.409 10 5 EEBEHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600228257 468502321 /nfs/dbraw/zinc/50/23/21/468502321.db2.gz IILFZAPPXYIOQK-AWEZNQCLSA-N -1 3 333.388 2.437 10 5 EEBEHM COc1cc(CN(CCC(=O)[O-])C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000582551926 468557544 /nfs/dbraw/zinc/55/75/44/468557544.db2.gz SBHOCLLKIXXDHK-CYBMUJFWSA-N -1 3 338.360 2.059 10 5 EEBEHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000569887859 468557632 /nfs/dbraw/zinc/55/76/32/468557632.db2.gz GJNJTPQKBLMQEX-UHFFFAOYSA-N -1 3 328.263 2.166 10 5 EEBEHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000597728255 468653580 /nfs/dbraw/zinc/65/35/80/468653580.db2.gz RUGVVDUTKWQNAJ-UHFFFAOYSA-N -1 3 347.379 2.409 10 5 EEBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000594781179 468683170 /nfs/dbraw/zinc/68/31/70/468683170.db2.gz NUASVFKOLDYWCB-WCQYABFASA-N -1 3 333.369 2.220 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC1CCC1 ZINC000601514451 468902920 /nfs/dbraw/zinc/90/29/20/468902920.db2.gz YOENFOHAJUBKEO-JTQLQIEISA-N -1 3 328.390 2.460 10 5 EEBEHM CCOC(=O)c1cc(C(=O)[N-]c2ncn(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000593228087 468910367 /nfs/dbraw/zinc/91/03/67/468910367.db2.gz FEQZCEMKHJSHOW-UHFFFAOYSA-N -1 3 347.331 2.196 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)nc1 ZINC000593546388 469028657 /nfs/dbraw/zinc/02/86/57/469028657.db2.gz HBZHHBWPXXZYOE-GFCCVEGCSA-N -1 3 347.396 2.073 10 5 EEBEHM O=c1[n-]ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] ZINC000596178768 469187644 /nfs/dbraw/zinc/18/76/44/469187644.db2.gz KLUYXDTXSKSXLD-SNVBAGLBSA-N -1 3 330.348 2.006 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000599481463 469271567 /nfs/dbraw/zinc/27/15/67/469271567.db2.gz DRVABLXMKBVRRX-SKDRFNHKSA-N -1 3 346.792 2.094 10 5 EEBEHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000855329216 1293173770 /nfs/dbraw/zinc/17/37/70/1293173770.db2.gz ZVWVLRRVBQEGOG-KWQFWETISA-N -1 3 337.286 2.100 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001597363172 1349923403 /nfs/dbraw/zinc/92/34/03/1349923403.db2.gz CJWUBNXVRRWWPP-UHFFFAOYSA-N -1 3 334.303 2.307 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCCN2c2ccccc21 ZINC001443621217 1098117133 /nfs/dbraw/zinc/11/71/33/1098117133.db2.gz SZJMGELKRWKCFI-GFCCVEGCSA-N -1 3 340.339 2.325 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000107703902 159334672 /nfs/dbraw/zinc/33/46/72/159334672.db2.gz CJKLCQBZLBKVNR-UHFFFAOYSA-N -1 3 327.387 2.092 10 5 EEBEHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183676951 286851162 /nfs/dbraw/zinc/85/11/62/286851162.db2.gz WLVRZVQMBCPSPM-VIFPVBQESA-N -1 3 336.797 2.260 10 5 EEBEHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967253 161028015 /nfs/dbraw/zinc/02/80/15/161028015.db2.gz ZJZOWHIGILOMSA-JTQLQIEISA-N -1 3 335.451 2.055 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(SC)CCC1 ZINC000278832387 269244821 /nfs/dbraw/zinc/24/48/21/269244821.db2.gz OYFHFWNIPZCFDW-UHFFFAOYSA-N -1 3 346.430 2.167 10 5 EEBEHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273119496 280122830 /nfs/dbraw/zinc/12/28/30/280122830.db2.gz HELSWAMHXSDYTF-ZJUUUORDSA-N -1 3 344.389 2.094 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1cscn1 ZINC000518218493 316713806 /nfs/dbraw/zinc/71/38/06/316713806.db2.gz LXHOWFLJNHLHOB-VIFPVBQESA-N -1 3 327.387 2.399 10 5 EEBEHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000517272947 448568425 /nfs/dbraw/zinc/56/84/25/448568425.db2.gz AMSCNAXWNZNWPI-JTQLQIEISA-N -1 3 340.343 2.461 10 5 EEBEHM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000517272947 448568435 /nfs/dbraw/zinc/56/84/35/448568435.db2.gz AMSCNAXWNZNWPI-JTQLQIEISA-N -1 3 340.343 2.461 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c1C ZINC000121256550 463105925 /nfs/dbraw/zinc/10/59/25/463105925.db2.gz QAHLQCSDMTUNFW-TZMCWYRMSA-N -1 3 342.417 2.041 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000198632339 464092851 /nfs/dbraw/zinc/09/28/51/464092851.db2.gz SJGOTIWUPVJODY-SNVBAGLBSA-N -1 3 337.357 2.038 10 5 EEBEHM O=C(Nc1cnc(CC2CC2)nc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000356343182 465325658 /nfs/dbraw/zinc/32/56/58/465325658.db2.gz MMUSCHMJKYPVGI-UHFFFAOYSA-N -1 3 338.327 2.466 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000362301740 465641910 /nfs/dbraw/zinc/64/19/10/465641910.db2.gz UEMYBKIHIFYGMH-UHFFFAOYSA-N -1 3 332.707 2.247 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715293 467461215 /nfs/dbraw/zinc/46/12/15/467461215.db2.gz AVCRXDLZQWZEMJ-WDEREUQCSA-N -1 3 348.808 2.484 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000420727913 467465275 /nfs/dbraw/zinc/46/52/75/467465275.db2.gz OWXYDOQDNSMVSX-ONGXEEELSA-N -1 3 348.808 2.484 10 5 EEBEHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594776963 468682204 /nfs/dbraw/zinc/68/22/04/468682204.db2.gz QYRVQBYLQHKVSG-SECBINFHSA-N -1 3 327.337 2.169 10 5 EEBEHM CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593607816 469057663 /nfs/dbraw/zinc/05/76/63/469057663.db2.gz IKIJEJFUOFXBCK-NWDGAFQWSA-N -1 3 327.406 2.483 10 5 EEBEHM CC1(C(=O)C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000599472198 469268529 /nfs/dbraw/zinc/26/85/29/469268529.db2.gz CLWMKVMWIXWMLY-UHFFFAOYSA-N -1 3 340.401 2.164 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000619478823 469620406 /nfs/dbraw/zinc/62/04/06/469620406.db2.gz XCSDYGCOLGLPBG-STQMWFEESA-N -1 3 348.380 2.438 10 5 EEBEHM Cc1ccc(C=CS(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])cc1 ZINC000759167241 577638315 /nfs/dbraw/zinc/63/83/15/577638315.db2.gz FKPZDJSZESKORE-CSKARUKUSA-N -1 3 334.357 2.215 10 5 EEBEHM Cc1ccc(C=CS(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000759167241 577638316 /nfs/dbraw/zinc/63/83/16/577638316.db2.gz FKPZDJSZESKORE-CSKARUKUSA-N -1 3 334.357 2.215 10 5 EEBEHM CC1(c2nsc([N-]C(=O)c3cc([N+](=O)[O-])c(F)cc3N)n2)CC1 ZINC000862610260 1295903382 /nfs/dbraw/zinc/90/33/82/1295903382.db2.gz HYUCIZSPJWFYIN-UHFFFAOYSA-N -1 3 337.336 2.471 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cnc(-c2ccccn2)s1 ZINC001587348047 1348860984 /nfs/dbraw/zinc/86/09/84/1348860984.db2.gz ITGGTYCQVQVICP-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC001628213519 1352525734 /nfs/dbraw/zinc/52/57/34/1352525734.db2.gz LXKQGZDZBITWRZ-UHFFFAOYSA-N -1 3 330.344 2.372 10 5 EEBEHM COc1ccc(CC(=O)[N-]OCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC001647930850 1353409074 /nfs/dbraw/zinc/40/90/74/1353409074.db2.gz FYOUBLDWUIFTKE-UHFFFAOYSA-N -1 3 331.328 2.097 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3ncc([N+](=O)[O-])cc3F)CC2)n1 ZINC001652277853 1354085488 /nfs/dbraw/zinc/08/54/88/1354085488.db2.gz ZSEKEXWFGMSREC-UHFFFAOYSA-N -1 3 348.338 2.014 10 5 EEBEHM Cc1ccc2c(c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[C@H](C)O2 ZINC001566230013 1125590883 /nfs/dbraw/zinc/59/08/83/1125590883.db2.gz LVHXXEAMWUJLDJ-JTQLQIEISA-N -1 3 329.312 2.432 10 5 EEBEHM O=c1[n-]c(C2CC2)nc2c1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001473765395 1110580356 /nfs/dbraw/zinc/58/03/56/1110580356.db2.gz FXHGHTKDKZVVMI-UHFFFAOYSA-N -1 3 342.355 2.362 10 5 EEBEHM COc1cccc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc21 ZINC001530482764 1121968245 /nfs/dbraw/zinc/96/82/45/1121968245.db2.gz UOFBIWRIFUEBQN-UHFFFAOYSA-N -1 3 333.329 2.199 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000069042871 215354866 /nfs/dbraw/zinc/35/48/66/215354866.db2.gz HOXHZNNEHPLUKD-NSHDSACASA-N -1 3 326.374 2.238 10 5 EEBEHM CCOC(=O)c1ccccc1Nc1[n-]cnc(=NN(C)C)c1[N+](=O)[O-] ZINC000040629015 213361233 /nfs/dbraw/zinc/36/12/33/213361233.db2.gz PAELMKPWQRGXNM-UHFFFAOYSA-N -1 3 346.347 2.194 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000451956272 243324344 /nfs/dbraw/zinc/32/43/44/243324344.db2.gz GUKNRNOYOIPYFI-UHFFFAOYSA-N -1 3 325.346 2.014 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)c1 ZINC000277629576 269164841 /nfs/dbraw/zinc/16/48/41/269164841.db2.gz CDGSNNCNWZZOMN-ZJUUUORDSA-N -1 3 348.808 2.260 10 5 EEBEHM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000170735815 311395054 /nfs/dbraw/zinc/39/50/54/311395054.db2.gz WDWOLMOVKXIXKQ-ZDUSSCGKSA-N -1 3 336.369 2.261 10 5 EEBEHM COc1cc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000444828849 315327648 /nfs/dbraw/zinc/32/76/48/315327648.db2.gz UGCVIWPTWZHUOS-UHFFFAOYSA-N -1 3 333.300 2.273 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000577336230 320249212 /nfs/dbraw/zinc/24/92/12/320249212.db2.gz VBYCNTYQLAVOBF-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000577336230 320249213 /nfs/dbraw/zinc/24/92/13/320249213.db2.gz VBYCNTYQLAVOBF-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000132204057 462846248 /nfs/dbraw/zinc/84/62/48/462846248.db2.gz LHJODQWTUNMNRK-OAHLLOKOSA-N -1 3 343.383 2.203 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cnccc2C)c1C ZINC000594819041 468696349 /nfs/dbraw/zinc/69/63/49/468696349.db2.gz NLFYZZRNVYIEKV-UHFFFAOYSA-N -1 3 349.412 2.436 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H]2C)c1[N+](=O)[O-] ZINC000601500551 468895931 /nfs/dbraw/zinc/89/59/31/468895931.db2.gz YNLMAYJEEDUFRK-IJLUTSLNSA-N -1 3 328.390 2.056 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)c([N+](=O)[O-])c1 ZINC000601501426 468896370 /nfs/dbraw/zinc/89/63/70/468896370.db2.gz NTKLGZFXAPHPHK-HZMBPMFUSA-N -1 3 326.374 2.214 10 5 EEBEHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593525662 469016792 /nfs/dbraw/zinc/01/67/92/469016792.db2.gz JMTFBBHGYYMORW-GFCCVEGCSA-N -1 3 335.385 2.462 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)nc1 ZINC000593541911 469025326 /nfs/dbraw/zinc/02/53/26/469025326.db2.gz FWTCOKVKTFQFHJ-UHFFFAOYSA-N -1 3 333.369 2.214 10 5 EEBEHM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593556713 469034426 /nfs/dbraw/zinc/03/44/26/469034426.db2.gz MPHMBUZARIWEJV-RYUDHWBXSA-N -1 3 335.385 2.460 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1=CCCC1 ZINC000593606456 469056341 /nfs/dbraw/zinc/05/63/41/469056341.db2.gz RCVOQCUYJMZXGZ-UHFFFAOYSA-N -1 3 325.390 2.405 10 5 EEBEHM O=c1[n-]ccc(N[C@@H]2CCN(c3ncccc3Cl)C2)c1[N+](=O)[O-] ZINC000596164493 469181745 /nfs/dbraw/zinc/18/17/45/469181745.db2.gz YPLHNQVKQLMCNQ-SECBINFHSA-N -1 3 335.751 2.435 10 5 EEBEHM O=c1[n-]ccc(NC[C@@H](CO)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000596208092 469202126 /nfs/dbraw/zinc/20/21/26/469202126.db2.gz VHTAAMARVBUCKX-JTQLQIEISA-N -1 3 339.298 2.237 10 5 EEBEHM C[C@@H]1[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000596221138 469209650 /nfs/dbraw/zinc/20/96/50/469209650.db2.gz VXSWVHWSUFKMSO-RISCZKNCSA-N -1 3 342.355 2.297 10 5 EEBEHM C[C@@H]1CN(CC(F)(F)F)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596258505 469224006 /nfs/dbraw/zinc/22/40/06/469224006.db2.gz JRPNVRMHXDBOOP-SECBINFHSA-N -1 3 334.298 2.016 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1C ZINC000599459853 469264946 /nfs/dbraw/zinc/26/49/46/469264946.db2.gz ORYPXMSINFAYGB-OXIQGZBJSA-N -1 3 342.417 2.302 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000599459127 469265476 /nfs/dbraw/zinc/26/54/76/469265476.db2.gz DIDQMAMZCLYUJX-CYDGBPFRSA-N -1 3 342.417 2.302 10 5 EEBEHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765166279 577496287 /nfs/dbraw/zinc/49/62/87/577496287.db2.gz LVYMYQDJLBPUOT-JGVFFNPUSA-N -1 3 349.206 2.292 10 5 EEBEHM O=c1[nH][n-]cc1CCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001655718220 1354183037 /nfs/dbraw/zinc/18/30/37/1354183037.db2.gz YUUHNCSMUFNARM-VIFPVBQESA-N -1 3 347.762 2.142 10 5 EEBEHM Cc1ccc2c(c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC001566230014 1125591026 /nfs/dbraw/zinc/59/10/26/1125591026.db2.gz LVHXXEAMWUJLDJ-SNVBAGLBSA-N -1 3 329.312 2.432 10 5 EEBEHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)c(N)c1[N+](=O)[O-] ZINC001456747125 1109285351 /nfs/dbraw/zinc/28/53/51/1109285351.db2.gz VUYLMSGGHHMUCG-UHFFFAOYSA-N -1 3 331.284 2.172 10 5 EEBEHM COc1cnc([C@@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001473863802 1110582629 /nfs/dbraw/zinc/58/26/29/1110582629.db2.gz FLDBBPGGYRDMJF-AWEZNQCLSA-N -1 3 344.371 2.479 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])c1cccs1 ZINC000050654430 214065109 /nfs/dbraw/zinc/06/51/09/214065109.db2.gz RFBUKUUACNZHFJ-QMMMGPOBSA-N -1 3 327.387 2.278 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1C ZINC000121256064 301859961 /nfs/dbraw/zinc/85/99/61/301859961.db2.gz QAHLQCSDMTUNFW-JSGCOSHPSA-N -1 3 342.417 2.041 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOCC2CCC2)c1[N+](=O)[O-] ZINC000574737547 320052063 /nfs/dbraw/zinc/05/20/63/320052063.db2.gz RHRBPFYUFSPHAR-UHFFFAOYSA-N -1 3 342.417 2.307 10 5 EEBEHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@H](C)C1 ZINC000066000523 462845877 /nfs/dbraw/zinc/84/58/77/462845877.db2.gz DRNNQXWATFGXSJ-WDEREUQCSA-N -1 3 347.462 2.055 10 5 EEBEHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000030499263 463300798 /nfs/dbraw/zinc/30/07/98/463300798.db2.gz GTGFXMRGDGELRV-CQSZACIVSA-N -1 3 349.412 2.176 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000123177235 463322304 /nfs/dbraw/zinc/32/23/04/463322304.db2.gz UYWBHTNMPGYMSX-SNVBAGLBSA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000276906440 463802186 /nfs/dbraw/zinc/80/21/86/463802186.db2.gz WLDDAKZJZPHCCL-UHFFFAOYSA-N -1 3 341.414 2.455 10 5 EEBEHM COc1cc(F)cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000179394617 464127466 /nfs/dbraw/zinc/12/74/66/464127466.db2.gz VSHDKFPJPTYRCH-UHFFFAOYSA-N -1 3 346.361 2.283 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000182513295 464671864 /nfs/dbraw/zinc/67/18/64/464671864.db2.gz GCNOPKYBEPFUDV-VIFPVBQESA-N -1 3 334.781 2.014 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601386207 468853124 /nfs/dbraw/zinc/85/31/24/468853124.db2.gz YOYZLNKKFQRMQN-WDEREUQCSA-N -1 3 348.446 2.447 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601433397 468871918 /nfs/dbraw/zinc/87/19/18/468871918.db2.gz AMVYPKXOKLXERL-JTQLQIEISA-N -1 3 348.446 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000601470216 468888002 /nfs/dbraw/zinc/88/80/02/468888002.db2.gz QPXGZYQPOOSCBZ-SNVBAGLBSA-N -1 3 346.380 2.136 10 5 EEBEHM COc1ccccc1[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000866234276 1201472833 /nfs/dbraw/zinc/47/28/33/1201472833.db2.gz KZZDAYACQYMETC-AWEZNQCLSA-N -1 3 331.328 2.282 10 5 EEBEHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001639640322 1352699995 /nfs/dbraw/zinc/69/99/95/1352699995.db2.gz NMLNEHDQIAHONQ-SECBINFHSA-N -1 3 334.307 2.101 10 5 EEBEHM Cc1cc(N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001642862649 1352738828 /nfs/dbraw/zinc/73/88/28/1352738828.db2.gz JBZGAATZEVKKAP-MNOVXSKESA-N -1 3 345.359 2.474 10 5 EEBEHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001651187904 1354042780 /nfs/dbraw/zinc/04/27/80/1354042780.db2.gz YPORWYHPTISKFH-DTWKUNHWSA-N -1 3 349.322 2.305 10 5 EEBEHM O=c1cc([C@H]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)[n-][nH]1 ZINC001652003820 1354072787 /nfs/dbraw/zinc/07/27/87/1354072787.db2.gz ALDHROHAGZMOBG-NSHDSACASA-N -1 3 329.360 2.291 10 5 EEBEHM CC(=O)Nc1cccc2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001652122587 1354078738 /nfs/dbraw/zinc/07/87/38/1354078738.db2.gz VZNIVWHHGYZESE-UHFFFAOYSA-N -1 3 328.328 2.217 10 5 EEBEHM O=c1[n-]ccc(NCc2cccnc2OCC(F)F)c1[N+](=O)[O-] ZINC001655341735 1354170931 /nfs/dbraw/zinc/17/09/31/1354170931.db2.gz VMBKWGWIQFKKLC-UHFFFAOYSA-N -1 3 326.259 2.346 10 5 EEBEHM O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468309478 1110472140 /nfs/dbraw/zinc/47/21/40/1110472140.db2.gz CSQMUDQRAAHULP-UHFFFAOYSA-N -1 3 330.275 2.497 10 5 EEBEHM Cc1cc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(F)cc1[N+](=O)[O-] ZINC001472896121 1110565545 /nfs/dbraw/zinc/56/55/45/1110565545.db2.gz UTCPPSROLVBZGQ-JTQLQIEISA-N -1 3 333.323 2.229 10 5 EEBEHM CC(=O)c1ccc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2c1 ZINC001523670739 1119825387 /nfs/dbraw/zinc/82/53/87/1119825387.db2.gz GNGRNBONMCPGIN-UHFFFAOYSA-N -1 3 345.340 2.393 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)on1 ZINC001533840551 1123265692 /nfs/dbraw/zinc/26/56/92/1123265692.db2.gz AYBAIQCYHGHMCM-UHFFFAOYSA-N -1 3 331.240 2.368 10 5 EEBEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019815268 212071937 /nfs/dbraw/zinc/07/19/37/212071937.db2.gz CLSDZOXIQQYASU-UHFFFAOYSA-N -1 3 345.698 2.384 10 5 EEBEHM CCC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079747109 217252071 /nfs/dbraw/zinc/25/20/71/217252071.db2.gz USFWZTGUXLTMCM-SECBINFHSA-N -1 3 336.797 2.342 10 5 EEBEHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000355004245 163047618 /nfs/dbraw/zinc/04/76/18/163047618.db2.gz URSUANIXGLMESZ-UHFFFAOYSA-N -1 3 332.194 2.174 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000292703156 275467243 /nfs/dbraw/zinc/46/72/43/275467243.db2.gz DIVSTEXGWOTMSS-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000159972507 311348273 /nfs/dbraw/zinc/34/82/73/311348273.db2.gz BWRHNPHCRYVDJB-NSHDSACASA-N -1 3 327.387 2.481 10 5 EEBEHM CC(=O)c1cnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000524570602 317018537 /nfs/dbraw/zinc/01/85/37/317018537.db2.gz ZKDLXTROJCEKSO-UHFFFAOYSA-N -1 3 335.297 2.235 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ncccc2C)c1C ZINC000296304169 465149197 /nfs/dbraw/zinc/14/91/97/465149197.db2.gz ZXUOMHVNDBOCDO-UHFFFAOYSA-N -1 3 349.412 2.436 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000568815665 468389555 /nfs/dbraw/zinc/38/95/55/468389555.db2.gz KDEAPLSYYGOJMJ-UHFFFAOYSA-N -1 3 340.401 2.318 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]CCc2ccsc2)c([N+](=O)[O-])c1 ZINC000192670471 464973359 /nfs/dbraw/zinc/97/33/59/464973359.db2.gz CJHKTPUDUJSPND-UHFFFAOYSA-N -1 3 342.398 2.186 10 5 EEBEHM O=C(NCCNc1ncc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1 ZINC000301282908 465935004 /nfs/dbraw/zinc/93/50/04/465935004.db2.gz PCZCQASEUYMNEH-UHFFFAOYSA-N -1 3 336.735 2.191 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000420720873 467462653 /nfs/dbraw/zinc/46/26/53/467462653.db2.gz HTGKOPZUZFJUAZ-RYUDHWBXSA-N -1 3 328.390 2.139 10 5 EEBEHM CCCn1c(=O)[n-]nc1SCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600512014 468577663 /nfs/dbraw/zinc/57/76/63/468577663.db2.gz WLFSHAHVIQBNRQ-UHFFFAOYSA-N -1 3 340.336 2.416 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592107847 468627130 /nfs/dbraw/zinc/62/71/30/468627130.db2.gz IGKVGPWKLRACGL-GMTAPVOTSA-N -1 3 326.374 2.070 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000594789013 468685003 /nfs/dbraw/zinc/68/50/03/468685003.db2.gz JCEMQQURLFJNAZ-UHFFFAOYSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)c1[N+](=O)[O-] ZINC000594849990 468704022 /nfs/dbraw/zinc/70/40/22/468704022.db2.gz BKVROLUJSVAJQE-STQMWFEESA-N -1 3 342.417 2.448 10 5 EEBEHM CCC(CC)(C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC000601420141 468866535 /nfs/dbraw/zinc/86/65/35/468866535.db2.gz USWXCWQGHLDORS-UHFFFAOYSA-N -1 3 336.435 2.448 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)nc1 ZINC000593584521 469046970 /nfs/dbraw/zinc/04/69/70/469046970.db2.gz PENYYXMOWSGMKB-UHFFFAOYSA-N -1 3 333.369 2.043 10 5 EEBEHM Nc1c([N-]S(=O)(=O)CCCCF)cc(Cl)cc1[N+](=O)[O-] ZINC000596019737 469121114 /nfs/dbraw/zinc/12/11/14/469121114.db2.gz BRIHEYLUFLAXFH-UHFFFAOYSA-N -1 3 325.749 2.322 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(F)c1 ZINC000604021293 469452346 /nfs/dbraw/zinc/45/23/46/469452346.db2.gz WAGMWVJSFMPQIT-UHFFFAOYSA-N -1 3 334.712 2.459 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000619478821 469620182 /nfs/dbraw/zinc/62/01/82/469620182.db2.gz XCSDYGCOLGLPBG-OLZOCXBDSA-N -1 3 348.380 2.438 10 5 EEBEHM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000867673987 1201655485 /nfs/dbraw/zinc/65/54/85/1201655485.db2.gz ZPWFFJLQSPOZPX-KYZUINATSA-N -1 3 334.394 2.215 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797293 1317320297 /nfs/dbraw/zinc/32/02/97/1317320297.db2.gz NGBIURHWUVNCBK-UHFFFAOYSA-N -1 3 328.328 2.206 10 5 EEBEHM Cc1ccc(N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001164131741 1321299356 /nfs/dbraw/zinc/29/93/56/1321299356.db2.gz YLTZNCIDGUTAJK-LBPRGKRZSA-N -1 3 329.360 2.398 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc(C)n1 ZINC001319721419 1332750261 /nfs/dbraw/zinc/75/02/61/1332750261.db2.gz BZANWIAHKMSPGQ-UHFFFAOYSA-N -1 3 335.385 2.446 10 5 EEBEHM O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001624726013 1352428912 /nfs/dbraw/zinc/42/89/12/1352428912.db2.gz XVEZVKGJGGVXOL-UONOGXRCSA-N -1 3 340.339 2.173 10 5 EEBEHM Cn1ncc2c1nc(SCCOc1ccccc1[N+](=O)[O-])[n-]c2=O ZINC001652957419 1354109840 /nfs/dbraw/zinc/10/98/40/1354109840.db2.gz FCQRBYUEKZCHCF-UHFFFAOYSA-N -1 3 347.356 2.148 10 5 EEBEHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000792611139 809878252 /nfs/dbraw/zinc/87/82/52/809878252.db2.gz XVAWSIFPBUSFMT-UHFFFAOYSA-N -1 3 342.355 2.226 10 5 EEBEHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)nn1C ZINC001527292105 1120748624 /nfs/dbraw/zinc/74/86/24/1120748624.db2.gz COIAAABVBMDCIW-UHFFFAOYSA-N -1 3 340.137 2.047 10 5 EEBEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001543744966 1124134216 /nfs/dbraw/zinc/13/42/16/1124134216.db2.gz YFPPYRRMFQILAH-UHFFFAOYSA-N -1 3 341.323 2.355 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])c1cccs1 ZINC000050654433 214065191 /nfs/dbraw/zinc/06/51/91/214065191.db2.gz RFBUKUUACNZHFJ-MRVPVSSYSA-N -1 3 327.387 2.278 10 5 EEBEHM Cc1nn(CCC(=O)[N-]OCc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000184206181 235333050 /nfs/dbraw/zinc/33/30/50/235333050.db2.gz CSEUTDXHRKFYDW-UHFFFAOYSA-N -1 3 336.323 2.185 10 5 EEBEHM Cc1ccc([O-])c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000093534300 159235850 /nfs/dbraw/zinc/23/58/50/159235850.db2.gz LWKKEPAJPMWMMV-GFCCVEGCSA-N -1 3 329.360 2.085 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289585963 275130045 /nfs/dbraw/zinc/13/00/45/275130045.db2.gz ZGSBWUSTWGUSKD-NEPJUHHUSA-N -1 3 331.376 2.255 10 5 EEBEHM CCOc1cc([N-]C(=O)c2cnn(CC)n2)c([N+](=O)[O-])cc1OCC ZINC000298080168 294414553 /nfs/dbraw/zinc/41/45/53/294414553.db2.gz MPJJWOXAQQMBAR-UHFFFAOYSA-N -1 3 349.347 2.256 10 5 EEBEHM CN(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000547752015 318319229 /nfs/dbraw/zinc/31/92/29/318319229.db2.gz SUGCGZTVQOCWLH-INIZCTEOSA-N -1 3 329.356 2.333 10 5 EEBEHM CCCc1[nH]nc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)c1[N+](=O)[O-] ZINC000155113872 462848990 /nfs/dbraw/zinc/84/89/90/462848990.db2.gz IGZNATZRXBXBGK-UHFFFAOYSA-N -1 3 349.372 2.498 10 5 EEBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000119471898 462904954 /nfs/dbraw/zinc/90/49/54/462904954.db2.gz LSEXPBKUELOQLA-UHFFFAOYSA-N -1 3 330.279 2.110 10 5 EEBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)[n-]n1 ZINC000119471898 462904957 /nfs/dbraw/zinc/90/49/57/462904957.db2.gz LSEXPBKUELOQLA-UHFFFAOYSA-N -1 3 330.279 2.110 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000172166156 464007026 /nfs/dbraw/zinc/00/70/26/464007026.db2.gz YFDKWJYYVFGULP-JTQLQIEISA-N -1 3 328.390 2.460 10 5 EEBEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000188532565 464305747 /nfs/dbraw/zinc/30/57/47/464305747.db2.gz SNESTBUKBLTWAQ-DTWKUNHWSA-N -1 3 336.797 2.258 10 5 EEBEHM CC(C)(C)C1=CCN(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000356422924 465372264 /nfs/dbraw/zinc/37/22/64/465372264.db2.gz RFSYVHYONRNGIK-UHFFFAOYSA-N -1 3 348.403 2.103 10 5 EEBEHM CN(C)Cc1cccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000349473581 466120247 /nfs/dbraw/zinc/12/02/47/466120247.db2.gz JNBOHVOQXWTTQW-UHFFFAOYSA-N -1 3 329.356 2.292 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000420720874 467462713 /nfs/dbraw/zinc/46/27/13/467462713.db2.gz HTGKOPZUZFJUAZ-VXGBXAGGSA-N -1 3 328.390 2.139 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000594788560 468685061 /nfs/dbraw/zinc/68/50/61/468685061.db2.gz FFXICHKWOIQGQF-UHFFFAOYSA-N -1 3 342.417 2.305 10 5 EEBEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594801230 468691720 /nfs/dbraw/zinc/69/17/20/468691720.db2.gz LEXUBYPJIYEQFO-CYBMUJFWSA-N -1 3 342.417 2.387 10 5 EEBEHM CCOCCC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601375961 468848048 /nfs/dbraw/zinc/84/80/48/468848048.db2.gz VTVTYDUFGFXJMU-UHFFFAOYSA-N -1 3 348.446 2.450 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCN2CCCC2(C)C)c([N+](=O)[O-])s1 ZINC000601434815 468871440 /nfs/dbraw/zinc/87/14/40/468871440.db2.gz WBNPTHWZXUJQHF-UHFFFAOYSA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000154292259 534743793 /nfs/dbraw/zinc/74/37/93/534743793.db2.gz LAPHGQCNFZNPDZ-UHFFFAOYSA-N -1 3 345.377 2.286 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1F ZINC000867613368 1201643924 /nfs/dbraw/zinc/64/39/24/1201643924.db2.gz VQMPHGPIKAVFLQ-VHSXEESVSA-N -1 3 332.353 2.162 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001164131533 1321298993 /nfs/dbraw/zinc/29/89/93/1321298993.db2.gz UTROJMKXXQXLKQ-ZDUSSCGKSA-N -1 3 329.360 2.480 10 5 EEBEHM O=[N+]([O-])c1c(Br)cccc1SCCc1nnn[n-]1 ZINC001612513568 1352308583 /nfs/dbraw/zinc/30/85/83/1352308583.db2.gz ZHGDMHZOEKYHMP-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM O=[N+]([O-])c1c(Br)cccc1SCCc1nn[n-]n1 ZINC001612513568 1352308584 /nfs/dbraw/zinc/30/85/84/1352308584.db2.gz ZHGDMHZOEKYHMP-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c([O-])cccc1OC ZINC001623820179 1352406067 /nfs/dbraw/zinc/40/60/67/1352406067.db2.gz ZCSYRNZTKGWMIZ-UHFFFAOYSA-N -1 3 332.312 2.248 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC001631791606 1352589254 /nfs/dbraw/zinc/58/92/54/1352589254.db2.gz IMMLLBZSGAATRY-UHFFFAOYSA-N -1 3 334.307 2.203 10 5 EEBEHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001640461496 1352710341 /nfs/dbraw/zinc/71/03/41/1352710341.db2.gz IQRKKNUOZPTFQR-YFKPBYRVSA-N -1 3 344.253 2.004 10 5 EEBEHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1coc2c1C(=O)NCCC2 ZINC001534893132 1123445308 /nfs/dbraw/zinc/44/53/08/1123445308.db2.gz RRSALXOOFRRTEL-UHFFFAOYSA-N -1 3 333.275 2.255 10 5 EEBEHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000050373814 214054598 /nfs/dbraw/zinc/05/45/98/214054598.db2.gz PCKAALPSAGXEAI-GHMZBOCLSA-N -1 3 334.781 2.094 10 5 EEBEHM CCC(C)(C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000040039862 213254485 /nfs/dbraw/zinc/25/44/85/213254485.db2.gz NQNRDJTXBQKNSN-UHFFFAOYSA-N -1 3 344.389 2.223 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715287 239914493 /nfs/dbraw/zinc/91/44/93/239914493.db2.gz AVCRXDLZQWZEMJ-GHMZBOCLSA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1nn2c(nnc2S[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000114860518 152001227 /nfs/dbraw/zinc/00/12/27/152001227.db2.gz AXYZZZDYOFRROD-MRVPVSSYSA-N -1 3 332.345 2.295 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000158503433 225030241 /nfs/dbraw/zinc/03/02/41/225030241.db2.gz OJHPCQQFMBMBAX-CMPLNLGQSA-N -1 3 348.808 2.138 10 5 EEBEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341204000 465052414 /nfs/dbraw/zinc/05/24/14/465052414.db2.gz DPBYBTPGWMROFB-CHWSQXEVSA-N -1 3 341.433 2.136 10 5 EEBEHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H]2COc3ccccc32)c1 ZINC000152747913 462577094 /nfs/dbraw/zinc/57/70/94/462577094.db2.gz SHNSFQAORZUXDU-AWEZNQCLSA-N -1 3 334.353 2.148 10 5 EEBEHM COc1cc(CN2CCC[C@@H](c3cn[nH]c3)C2)cc([N+](=O)[O-])c1[O-] ZINC000092809444 462982308 /nfs/dbraw/zinc/98/23/08/462982308.db2.gz OOYOTZSIHCVIPV-GFCCVEGCSA-N -1 3 332.360 2.412 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-]CCc2cscn2)cc1[N+](=O)[O-] ZINC000097163791 463340689 /nfs/dbraw/zinc/34/06/89/463340689.db2.gz OJMSCLSRICNKAZ-UHFFFAOYSA-N -1 3 345.377 2.020 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCSC(C)C ZINC000286850671 463724555 /nfs/dbraw/zinc/72/45/55/463724555.db2.gz XJBLVUGUWAYLLC-UHFFFAOYSA-N -1 3 334.419 2.023 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC(C)(C)O1 ZINC000188748145 464359454 /nfs/dbraw/zinc/35/94/54/464359454.db2.gz OGKIGPXICGFQLR-NSHDSACASA-N -1 3 328.390 2.139 10 5 EEBEHM O=c1cc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)nc(C2CC2)[n-]1 ZINC000569102950 468439234 /nfs/dbraw/zinc/43/92/34/468439234.db2.gz XCKSUHHWWXKUFL-UHFFFAOYSA-N -1 3 342.355 2.057 10 5 EEBEHM COc1cc(F)c([N+](=O)[O-])c(NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000301500415 465974458 /nfs/dbraw/zinc/97/44/58/465974458.db2.gz DLAUGOKCUXMEIH-UHFFFAOYSA-N -1 3 349.318 2.290 10 5 EEBEHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882643 468082796 /nfs/dbraw/zinc/08/27/96/468082796.db2.gz RUCYKRWZCYYARN-UHFFFAOYSA-N -1 3 346.368 2.210 10 5 EEBEHM CN(C)C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488908826 468111601 /nfs/dbraw/zinc/11/16/01/468111601.db2.gz LDWLYCSLDMWIST-AWEZNQCLSA-N -1 3 347.346 2.472 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594851993 468705456 /nfs/dbraw/zinc/70/54/56/468705456.db2.gz GMSKLXIGSPOVSF-GMXVVIOVSA-N -1 3 340.401 2.318 10 5 EEBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CC2)n1C ZINC000597898876 468706500 /nfs/dbraw/zinc/70/65/00/468706500.db2.gz PYFPVMGJBCZUKW-UHFFFAOYSA-N -1 3 331.332 2.252 10 5 EEBEHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601357204 468838287 /nfs/dbraw/zinc/83/82/87/468838287.db2.gz NXHUTUWDBOYKME-QMMMGPOBSA-N -1 3 336.435 2.447 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])s1 ZINC000601374802 468846750 /nfs/dbraw/zinc/84/67/50/468846750.db2.gz KWFOYWLOUFPJIC-JTQLQIEISA-N -1 3 346.430 2.345 10 5 EEBEHM CCOC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596136521 469171942 /nfs/dbraw/zinc/17/19/42/469171942.db2.gz BBJFVDYKMLFWDW-GFCCVEGCSA-N -1 3 331.328 2.454 10 5 EEBEHM O=c1[n-]ccc(N[C@H]2CCN(c3ncccc3Cl)C2)c1[N+](=O)[O-] ZINC000596164494 469181805 /nfs/dbraw/zinc/18/18/05/469181805.db2.gz YPLHNQVKQLMCNQ-VIFPVBQESA-N -1 3 335.751 2.435 10 5 EEBEHM Cc1cc([N+](=O)[O-])cn(Cc2cc(=O)oc3c(C)c([O-])ccc23)c1=O ZINC000127201467 1200555729 /nfs/dbraw/zinc/55/57/29/1200555729.db2.gz SGDDBURRMQYYJE-UHFFFAOYSA-N -1 3 342.307 2.234 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cs1 ZINC001350018917 1337666778 /nfs/dbraw/zinc/66/67/78/1337666778.db2.gz RMMQEHFCHOVQKO-VDAHYXPESA-N -1 3 338.357 2.368 10 5 EEBEHM Cc1cc(Cl)c(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC001587498160 1348863565 /nfs/dbraw/zinc/86/35/65/1348863565.db2.gz JZFNAAIKQMZEND-UHFFFAOYSA-N -1 3 338.707 2.319 10 5 EEBEHM CC(=O)Nc1ccc2c(c1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001655830012 1354186573 /nfs/dbraw/zinc/18/65/73/1354186573.db2.gz NBNKKUUWMBDKHC-UHFFFAOYSA-N -1 3 328.328 2.217 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCCO2)c([N+](=O)[O-])s1 ZINC000921677389 793901422 /nfs/dbraw/zinc/90/14/22/793901422.db2.gz QGXQTFJMXXCTPK-GFCCVEGCSA-N -1 3 334.419 2.202 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CC2)c(F)c1 ZINC000922099832 798917902 /nfs/dbraw/zinc/91/79/02/798917902.db2.gz FIYYGFPQKWTHSC-CYBMUJFWSA-N -1 3 344.364 2.114 10 5 EEBEHM C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001179182329 799798985 /nfs/dbraw/zinc/79/89/85/799798985.db2.gz CXNFHGUPLRJPSK-RXMQYKEDSA-N -1 3 347.228 2.362 10 5 EEBEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc([N+](=O)[O-])o1 ZINC001456931356 1109371606 /nfs/dbraw/zinc/37/16/06/1109371606.db2.gz BDWNCNCJIKKPHW-MGCOHNPYSA-N -1 3 332.316 2.140 10 5 EEBEHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC001526559740 1120542927 /nfs/dbraw/zinc/54/29/27/1120542927.db2.gz YUQCOMRSDNAOAE-UHFFFAOYSA-N -1 3 344.345 2.451 10 5 EEBEHM CCC[C@@]1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000285384647 274721937 /nfs/dbraw/zinc/72/19/37/274721937.db2.gz RWMJDSOKIVBUBS-CQSZACIVSA-N -1 3 328.390 2.141 10 5 EEBEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000135566878 463175308 /nfs/dbraw/zinc/17/53/08/463175308.db2.gz SISFILNKRGLZTJ-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000135566878 463175311 /nfs/dbraw/zinc/17/53/11/463175311.db2.gz SISFILNKRGLZTJ-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM Cc1nn(C)c(C(=O)[N-]c2cc(C3(C)CCCC3)on2)c1[N+](=O)[O-] ZINC000448413271 467591312 /nfs/dbraw/zinc/59/13/12/467591312.db2.gz IXGXWURBXGZVSV-UHFFFAOYSA-N -1 3 333.348 2.709 10 5 EEBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCCCF ZINC000594776362 468682327 /nfs/dbraw/zinc/68/23/27/468682327.db2.gz YSGOGEFZKXIIHZ-UHFFFAOYSA-N -1 3 327.337 2.171 10 5 EEBEHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCC2 ZINC000601436728 468872934 /nfs/dbraw/zinc/87/29/34/468872934.db2.gz KUFMUGAOVMFWFM-GHMZBOCLSA-N -1 3 346.430 2.201 10 5 EEBEHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OCC ZINC000601471638 468888606 /nfs/dbraw/zinc/88/86/06/468888606.db2.gz FLCIGPHKMKGXAI-JTQLQIEISA-N -1 3 336.435 2.448 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCCC2 ZINC000601501158 468896564 /nfs/dbraw/zinc/89/65/64/468896564.db2.gz JIURVTRLKXNILU-HZMBPMFUSA-N -1 3 326.374 2.214 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000610108855 469980707 /nfs/dbraw/zinc/98/07/07/469980707.db2.gz LDCPGYXICZXSPM-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000610108855 469980710 /nfs/dbraw/zinc/98/07/10/469980710.db2.gz LDCPGYXICZXSPM-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM C[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc([N+](=O)[O-])c1 ZINC000732340128 577171937 /nfs/dbraw/zinc/17/19/37/577171937.db2.gz AYANLKILAWYUNC-SECBINFHSA-N -1 3 340.291 2.396 10 5 EEBEHM CN(CCNC(=O)c1ccccc1[O-])Cc1ccccc1[N+](=O)[O-] ZINC001266258572 1176043926 /nfs/dbraw/zinc/04/39/26/1176043926.db2.gz RJLWAMMOHXJJBS-UHFFFAOYSA-N -1 3 329.356 2.162 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@]23CCC[C@H]2OCC3)c(F)cc1[N+](=O)[O-] ZINC000867884080 1201699165 /nfs/dbraw/zinc/69/91/65/1201699165.db2.gz PMTVYUDJOCDLNB-KGLIPLIRSA-N -1 3 344.364 2.032 10 5 EEBEHM CCN(Cc1nc2ccccc2c(=O)[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001654939274 1354161807 /nfs/dbraw/zinc/16/18/07/1354161807.db2.gz VSZHQUHUBUAFGA-UHFFFAOYSA-N -1 3 341.327 2.371 10 5 EEBEHM COc1ccc(C[C@@](C)(CO)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC001655736686 1354182638 /nfs/dbraw/zinc/18/26/38/1354182638.db2.gz RIMFGMITMZTBKR-SFHVURJKSA-N -1 3 346.383 2.392 10 5 EEBEHM CCOc1nnc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001174745981 797870720 /nfs/dbraw/zinc/87/07/20/797870720.db2.gz XLPXOHUEPXACBU-NSHDSACASA-N -1 3 333.348 2.319 10 5 EEBEHM CCOc1nc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC001174745981 797870729 /nfs/dbraw/zinc/87/07/29/797870729.db2.gz XLPXOHUEPXACBU-NSHDSACASA-N -1 3 333.348 2.319 10 5 EEBEHM CCOc1n[n-]c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001174745981 797870739 /nfs/dbraw/zinc/87/07/39/797870739.db2.gz XLPXOHUEPXACBU-NSHDSACASA-N -1 3 333.348 2.319 10 5 EEBEHM Cc1cnc(N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001472877375 1110565132 /nfs/dbraw/zinc/56/51/32/1110565132.db2.gz OHUXLLMFWFKPBR-GFCCVEGCSA-N -1 3 344.375 2.183 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c1 ZINC000183680707 235195957 /nfs/dbraw/zinc/19/59/57/235195957.db2.gz SDPGBYSANJHQJE-ONGXEEELSA-N -1 3 348.808 2.138 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000451962659 243326415 /nfs/dbraw/zinc/32/64/15/243326415.db2.gz XINAJSUACJQMSS-UHFFFAOYSA-N -1 3 339.373 2.155 10 5 EEBEHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270963934 256192656 /nfs/dbraw/zinc/19/26/56/256192656.db2.gz HCFASNSMIWOVIS-UHFFFAOYSA-N -1 3 338.345 2.046 10 5 EEBEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000121079073 292260722 /nfs/dbraw/zinc/26/07/22/292260722.db2.gz RSORSORCJWITQA-CQSZACIVSA-N -1 3 348.396 2.199 10 5 EEBEHM Cc1nnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1C ZINC000576074758 320138270 /nfs/dbraw/zinc/13/82/70/320138270.db2.gz UIMVRJMNKFGKFH-UHFFFAOYSA-N -1 3 329.238 2.303 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000580168650 324006494 /nfs/dbraw/zinc/00/64/94/324006494.db2.gz ZPPKFKFUUFYZDU-UHFFFAOYSA-N -1 3 326.296 2.462 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)cc1C ZINC000158326092 463226199 /nfs/dbraw/zinc/22/61/99/463226199.db2.gz ZWEOXTLPOAHIIO-JSGCOSHPSA-N -1 3 342.417 2.041 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(C)CC1 ZINC000030494863 463300494 /nfs/dbraw/zinc/30/04/94/463300494.db2.gz MWMKSWGYMVYHFB-UHFFFAOYSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000083981324 463569735 /nfs/dbraw/zinc/56/97/35/463569735.db2.gz RDJOCUKODPAAKB-CABZTGNLSA-N -1 3 348.808 2.402 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccccc1O ZINC000178620750 463931647 /nfs/dbraw/zinc/93/16/47/463931647.db2.gz MEJZUBROIQKFBK-UHFFFAOYSA-N -1 3 336.369 2.130 10 5 EEBEHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1[N+](=O)[O-] ZINC000337486717 465394846 /nfs/dbraw/zinc/39/48/46/465394846.db2.gz ZZURXUJHSWUCBD-MRVPVSSYSA-N -1 3 329.291 2.496 10 5 EEBEHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1[N+](=O)[O-] ZINC000337486717 465394850 /nfs/dbraw/zinc/39/48/50/465394850.db2.gz ZZURXUJHSWUCBD-MRVPVSSYSA-N -1 3 329.291 2.496 10 5 EEBEHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1[N+](=O)[O-] ZINC000337486717 465394853 /nfs/dbraw/zinc/39/48/53/465394853.db2.gz ZZURXUJHSWUCBD-MRVPVSSYSA-N -1 3 329.291 2.496 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000339006068 466563267 /nfs/dbraw/zinc/56/32/67/466563267.db2.gz QTHTXSVIFHKKRM-UHFFFAOYSA-N -1 3 339.373 2.073 10 5 EEBEHM COc1cc(CNCc2nccc(OC)c2F)c([N+](=O)[O-])cc1[O-] ZINC000594977283 468735782 /nfs/dbraw/zinc/73/57/82/468735782.db2.gz JADRXLAXLVYVQJ-UHFFFAOYSA-N -1 3 337.307 2.142 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCCOCC2CC2)c([N+](=O)[O-])s1 ZINC000601292615 468813261 /nfs/dbraw/zinc/81/32/61/468813261.db2.gz QJCQJYVUVLOYAR-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)c1C ZINC000595392968 468836301 /nfs/dbraw/zinc/83/63/01/468836301.db2.gz RFNYPXNZRRGYAT-LBPRGKRZSA-N -1 3 342.417 2.305 10 5 EEBEHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1(C)C ZINC000601367227 468843814 /nfs/dbraw/zinc/84/38/14/468843814.db2.gz NZXIFTNHBKCYDC-UWVGGRQHSA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601386204 468852910 /nfs/dbraw/zinc/85/29/10/468852910.db2.gz YOYZLNKKFQRMQN-GHMZBOCLSA-N -1 3 348.446 2.447 10 5 EEBEHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601387259 468853007 /nfs/dbraw/zinc/85/30/07/468853007.db2.gz RKTCPSDFWTWYSN-VHSXEESVSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@H]2C)cc1C ZINC000601500572 468895754 /nfs/dbraw/zinc/89/57/54/468895754.db2.gz YTKDPYDGROAGTN-GRYCIOLGSA-N -1 3 328.390 2.056 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C)sc2C(=O)OC)n1 ZINC000598856247 469026975 /nfs/dbraw/zinc/02/69/75/469026975.db2.gz QAFVWGQCCCAOFN-UHFFFAOYSA-N -1 3 338.345 2.220 10 5 EEBEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593543915 469027080 /nfs/dbraw/zinc/02/70/80/469027080.db2.gz RSKWWMSJHWSKNY-CYBMUJFWSA-N -1 3 349.368 2.019 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593630683 469069260 /nfs/dbraw/zinc/06/92/60/469069260.db2.gz ZHGGWYQOCPFOMR-OAHLLOKOSA-N -1 3 340.401 2.078 10 5 EEBEHM O=C1C[C@]2(CCSC2)C(=O)[N-]N1c1ccc([N+](=O)[O-])cc1Cl ZINC000601938084 469103124 /nfs/dbraw/zinc/10/31/24/469103124.db2.gz GUVIZHNHRQWJAH-ZDUSSCGKSA-N -1 3 341.776 2.139 10 5 EEBEHM O=c1[n-]ccc(NCC2(OCCO)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000599138786 469133136 /nfs/dbraw/zinc/13/31/36/469133136.db2.gz FTXKISWTKNPTDA-UHFFFAOYSA-N -1 3 347.318 2.064 10 5 EEBEHM CC(C)c1ccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000596656021 469323616 /nfs/dbraw/zinc/32/36/16/469323616.db2.gz DOFIRMYAOBCEMD-CXAGYDPISA-N -1 3 334.372 2.251 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000610109056 469980851 /nfs/dbraw/zinc/98/08/51/469980851.db2.gz VRTFHRVEQVBAIJ-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000610109056 469980855 /nfs/dbraw/zinc/98/08/55/469980855.db2.gz VRTFHRVEQVBAIJ-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000765109689 577495243 /nfs/dbraw/zinc/49/52/43/577495243.db2.gz FNOMESSOWYVLHK-UHFFFAOYSA-N -1 3 325.668 2.142 10 5 EEBEHM COC1CCC(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768854226 577564234 /nfs/dbraw/zinc/56/42/34/577564234.db2.gz REZQSVPMAZORBT-UHFFFAOYSA-N -1 3 334.419 2.140 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001298992507 1330144902 /nfs/dbraw/zinc/14/49/02/1330144902.db2.gz BHKIULRUQQOCOC-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001298992507 1330144904 /nfs/dbraw/zinc/14/49/04/1330144904.db2.gz BHKIULRUQQOCOC-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM O=C(Nc1ncccc1[O-])c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001556163394 1342423931 /nfs/dbraw/zinc/42/39/31/1342423931.db2.gz AQVGKXDSNZWLBK-UHFFFAOYSA-N -1 3 325.284 2.338 10 5 EEBEHM CSc1nc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001598293105 1349937018 /nfs/dbraw/zinc/93/70/18/1349937018.db2.gz VQHLRWIFBDOVNR-UHFFFAOYSA-N -1 3 335.345 2.036 10 5 EEBEHM CN(CC(=O)NCCC1=CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001651446637 1354053179 /nfs/dbraw/zinc/05/31/79/1354053179.db2.gz ALTBKMBUFIUFOA-UHFFFAOYSA-N -1 3 334.376 2.138 10 5 EEBEHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C)cc(=O)[n-]2)c1 ZINC001144549425 789931629 /nfs/dbraw/zinc/93/16/29/789931629.db2.gz QVQCDBHUKMWUDN-UHFFFAOYSA-N -1 3 334.357 2.051 10 5 EEBEHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000030499267 202196160 /nfs/dbraw/zinc/19/61/60/202196160.db2.gz GTGFXMRGDGELRV-AWEZNQCLSA-N -1 3 349.412 2.176 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000296541313 294003582 /nfs/dbraw/zinc/00/35/82/294003582.db2.gz BELHPTIXBXPLCF-UHFFFAOYSA-N -1 3 338.332 2.317 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000451992076 315475870 /nfs/dbraw/zinc/47/58/70/315475870.db2.gz STVAXQWNIXJFKZ-UHFFFAOYSA-N -1 3 344.364 2.354 10 5 EEBEHM CCN(CC)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131266351 462801465 /nfs/dbraw/zinc/80/14/65/462801465.db2.gz WZCVDUIJHRQDLM-JTQLQIEISA-N -1 3 349.840 2.257 10 5 EEBEHM Cc1cnc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000097161662 463339409 /nfs/dbraw/zinc/33/94/09/463339409.db2.gz ZGLYFPQZIZGYLW-UHFFFAOYSA-N -1 3 347.443 2.251 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000184865645 463708442 /nfs/dbraw/zinc/70/84/42/463708442.db2.gz GGEKXQRNCSXJSX-UHFFFAOYSA-N -1 3 346.380 2.016 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000180141491 464250429 /nfs/dbraw/zinc/25/04/29/464250429.db2.gz ZAUMXCZRTZPIDU-KKZNHRDASA-N -1 3 346.792 2.155 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)O1 ZINC000594852265 468705583 /nfs/dbraw/zinc/70/55/83/468705583.db2.gz PMQJKTQUFOJQKV-NWDGAFQWSA-N -1 3 328.390 2.139 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)COC(C)C)c([N+](=O)[O-])s1 ZINC000601442325 468875933 /nfs/dbraw/zinc/87/59/33/468875933.db2.gz YXTGWBUYRUSVLO-UHFFFAOYSA-N -1 3 336.435 2.447 10 5 EEBEHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593569026 469040614 /nfs/dbraw/zinc/04/06/14/469040614.db2.gz WKGGIJRDSHGUDK-UHFFFAOYSA-N -1 3 343.405 2.004 10 5 EEBEHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585518 469048221 /nfs/dbraw/zinc/04/82/21/469048221.db2.gz OECWMKPIGAVUEL-QMMMGPOBSA-N -1 3 341.311 2.389 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c1C ZINC000599483720 469272540 /nfs/dbraw/zinc/27/25/40/469272540.db2.gz VTQHBJLBINQYPG-JSGCOSHPSA-N -1 3 340.401 2.057 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(O)c1 ZINC000160181197 533966991 /nfs/dbraw/zinc/96/69/91/533966991.db2.gz WTCACCYIGZYUNJ-QMMMGPOBSA-N -1 3 328.371 2.401 10 5 EEBEHM COC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)no1 ZINC000456174592 536876569 /nfs/dbraw/zinc/87/65/69/536876569.db2.gz YSGJHWFCYRUVQX-UHFFFAOYSA-N -1 3 348.315 2.442 10 5 EEBEHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC001132747452 1199975936 /nfs/dbraw/zinc/97/59/36/1199975936.db2.gz PKRHPDWAEYIOAD-SECBINFHSA-N -1 3 334.288 2.090 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)N2CCCCC2)c([N+](=O)[O-])s1 ZINC000866568093 1201549581 /nfs/dbraw/zinc/54/95/81/1201549581.db2.gz VPELHEVLPNXHHQ-JTQLQIEISA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1[N+](=O)[O-] ZINC001643836098 1352753189 /nfs/dbraw/zinc/75/31/89/1352753189.db2.gz VXJMLTOAEXPIJN-UHFFFAOYSA-N -1 3 330.296 2.268 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])[n-]n1 ZINC001647815491 1353403473 /nfs/dbraw/zinc/40/34/73/1353403473.db2.gz SBNGOLNNHPLXCA-UHFFFAOYSA-N -1 3 336.279 2.275 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n[n-]1 ZINC001647815491 1353403477 /nfs/dbraw/zinc/40/34/77/1353403477.db2.gz SBNGOLNNHPLXCA-UHFFFAOYSA-N -1 3 336.279 2.275 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])on1 ZINC001129229976 785912129 /nfs/dbraw/zinc/91/21/29/785912129.db2.gz JCKJWHBUOUCMPF-UHFFFAOYSA-N -1 3 325.664 2.275 10 5 EEBEHM Cc1cc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(F)cc1[N+](=O)[O-] ZINC001472896122 1110565601 /nfs/dbraw/zinc/56/56/01/1110565601.db2.gz UTCPPSROLVBZGQ-SNVBAGLBSA-N -1 3 333.323 2.229 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CF)CCOCC2)cc1C ZINC000451735095 243236633 /nfs/dbraw/zinc/23/66/33/243236633.db2.gz JNBBBVRGEIIQCJ-UHFFFAOYSA-N -1 3 346.380 2.009 10 5 EEBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1 ZINC000042822220 204149971 /nfs/dbraw/zinc/14/99/71/204149971.db2.gz ZKLVXQBQOXZDBW-JTQLQIEISA-N -1 3 334.781 2.096 10 5 EEBEHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000266360756 248263576 /nfs/dbraw/zinc/26/35/76/248263576.db2.gz RXBGLRAZTSQQRA-JTQLQIEISA-N -1 3 348.446 2.413 10 5 EEBEHM C[N-]S(=O)(=O)c1c(NCC2CCSCC2)cccc1[N+](=O)[O-] ZINC000408523561 257977891 /nfs/dbraw/zinc/97/78/91/257977891.db2.gz LDPGEOQITZXIKV-UHFFFAOYSA-N -1 3 345.446 2.058 10 5 EEBEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1[N+](=O)[O-] ZINC000119772477 142377066 /nfs/dbraw/zinc/37/70/66/142377066.db2.gz PXMXXQATXXOHPH-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1[N+](=O)[O-] ZINC000119772477 142377068 /nfs/dbraw/zinc/37/70/68/142377068.db2.gz PXMXXQATXXOHPH-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM O=C(Nc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439063360 315066044 /nfs/dbraw/zinc/06/60/44/315066044.db2.gz GLKRPZZNVFKHOB-UHFFFAOYSA-N -1 3 334.235 2.423 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000570059786 319633159 /nfs/dbraw/zinc/63/31/59/319633159.db2.gz DZUWEWZBWAPLLG-QMMMGPOBSA-N -1 3 343.386 2.099 10 5 EEBEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000188754290 464361500 /nfs/dbraw/zinc/36/15/00/464361500.db2.gz LXYMNRWWXAFBTO-JTQLQIEISA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601388508 468854189 /nfs/dbraw/zinc/85/41/89/468854189.db2.gz VCVLOKJWDIDIAU-VHSXEESVSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601391202 468855181 /nfs/dbraw/zinc/85/51/81/468855181.db2.gz MTQDBLUMPQHMRO-MWLCHTKSSA-N -1 3 348.446 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCOCC2CCC2)c([N+](=O)[O-])s1 ZINC000601393784 468855516 /nfs/dbraw/zinc/85/55/16/468855516.db2.gz KSYXRWKRKZQAIO-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601501388 468896622 /nfs/dbraw/zinc/89/66/22/468896622.db2.gz NGDOBYVULMANDF-XPTSAGLGSA-N -1 3 344.364 2.354 10 5 EEBEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000599317311 469208023 /nfs/dbraw/zinc/20/80/23/469208023.db2.gz UBMYQQYBSLBGFZ-UHFFFAOYSA-N -1 3 339.373 2.295 10 5 EEBEHM O=C([N-]c1ccc2c(c1F)CCNC2=O)c1c(F)cccc1[N+](=O)[O-] ZINC001272259876 1189376593 /nfs/dbraw/zinc/37/65/93/1189376593.db2.gz IGAWBEQYNZSBCL-UHFFFAOYSA-N -1 3 347.277 2.411 10 5 EEBEHM CCC(F)(F)C[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000859322973 1294394847 /nfs/dbraw/zinc/39/48/47/1294394847.db2.gz NTDYOUMPROOJSJ-UHFFFAOYSA-N -1 3 326.296 2.366 10 5 EEBEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccccc3[N+](=O)[O-])c2c1=O ZINC001611482231 1352301415 /nfs/dbraw/zinc/30/14/15/1352301415.db2.gz VNMCAGDOKTXAHC-UHFFFAOYSA-N -1 3 341.327 2.213 10 5 EEBEHM C[C@H](CN(C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nnn[n-]1 ZINC001612231006 1352306375 /nfs/dbraw/zinc/30/63/75/1352306375.db2.gz CKDIYAJIHNVHEL-SSDOTTSWSA-N -1 3 330.270 2.367 10 5 EEBEHM C[C@H](CN(C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nn[n-]n1 ZINC001612231006 1352306379 /nfs/dbraw/zinc/30/63/79/1352306379.db2.gz CKDIYAJIHNVHEL-SSDOTTSWSA-N -1 3 330.270 2.367 10 5 EEBEHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CCC2)c1 ZINC000172727678 791760727 /nfs/dbraw/zinc/76/07/27/791760727.db2.gz JVTBWSNMQVYFCB-UHFFFAOYSA-N -1 3 349.206 2.436 10 5 EEBEHM COC[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)C ZINC000921897746 797930583 /nfs/dbraw/zinc/93/05/83/797930583.db2.gz CHCIRUSBLVIFNY-JTQLQIEISA-N -1 3 336.435 2.162 10 5 EEBEHM CCOc1nnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001454993524 1108079810 /nfs/dbraw/zinc/07/98/10/1108079810.db2.gz ZSTVAWJTDAYKBL-MRVPVSSYSA-N -1 3 337.361 2.231 10 5 EEBEHM CCOc1nc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC001454993524 1108079822 /nfs/dbraw/zinc/07/98/22/1108079822.db2.gz ZSTVAWJTDAYKBL-MRVPVSSYSA-N -1 3 337.361 2.231 10 5 EEBEHM CCOc1n[n-]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC001454993524 1108079834 /nfs/dbraw/zinc/07/98/34/1108079834.db2.gz ZSTVAWJTDAYKBL-MRVPVSSYSA-N -1 3 337.361 2.231 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cscn2)c1[N+](=O)[O-] ZINC000189921583 160151850 /nfs/dbraw/zinc/15/18/50/160151850.db2.gz UGMMTHMBATZOCR-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccccc32)cc1 ZINC000194623722 160197221 /nfs/dbraw/zinc/19/72/21/160197221.db2.gz NGUDZEUAKLXEKW-CQSZACIVSA-N -1 3 334.353 2.148 10 5 EEBEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451692114 278414847 /nfs/dbraw/zinc/41/48/47/278414847.db2.gz DQLMPALRMFIBSZ-NSHDSACASA-N -1 3 334.781 2.094 10 5 EEBEHM O=[N+]([O-])c1ccc2nc(Sc3nnc(CO)n3C3CC3)[n-]c2c1 ZINC000297417064 294238887 /nfs/dbraw/zinc/23/88/87/294238887.db2.gz GWFZPRCERBIKCS-UHFFFAOYSA-N -1 3 332.345 2.041 10 5 EEBEHM O=[N+]([O-])c1ccc2[n-]c(Sc3nnc(CO)n3C3CC3)nc2c1 ZINC000297417064 294238891 /nfs/dbraw/zinc/23/88/91/294238891.db2.gz GWFZPRCERBIKCS-UHFFFAOYSA-N -1 3 332.345 2.041 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C1 ZINC000336859179 465054307 /nfs/dbraw/zinc/05/43/07/465054307.db2.gz FPPITSZKQAHWTA-SNVBAGLBSA-N -1 3 328.390 2.460 10 5 EEBEHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000152883587 462592490 /nfs/dbraw/zinc/59/24/90/462592490.db2.gz LMUIQPFVFGBEJM-JQWIXIFHSA-N -1 3 328.390 2.460 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc(C)cc2C(=O)OC)n1 ZINC000138491170 463310388 /nfs/dbraw/zinc/31/03/88/463310388.db2.gz CQSRCKZSXBKKPV-UHFFFAOYSA-N -1 3 338.345 2.220 10 5 EEBEHM CCOCCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000182515167 464673469 /nfs/dbraw/zinc/67/34/69/464673469.db2.gz ROBXUVVBAOYWSD-UHFFFAOYSA-N -1 3 336.797 2.262 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000592107165 468627155 /nfs/dbraw/zinc/62/71/55/468627155.db2.gz BTUVTXPHGARAOR-GMTAPVOTSA-N -1 3 326.374 2.070 10 5 EEBEHM CC(C)CCc1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000597873503 468701072 /nfs/dbraw/zinc/70/10/72/468701072.db2.gz SWSNPWDBQATNNX-UHFFFAOYSA-N -1 3 337.361 2.388 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000594849985 468704234 /nfs/dbraw/zinc/70/42/34/468704234.db2.gz BKVROLUJSVAJQE-CHWSQXEVSA-N -1 3 342.417 2.448 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(C)C)C1CC1 ZINC000595365781 468826961 /nfs/dbraw/zinc/82/69/61/468826961.db2.gz XWTIDGMDTIXNQU-CQSZACIVSA-N -1 3 328.390 2.316 10 5 EEBEHM COC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCCC1 ZINC000601422946 468867313 /nfs/dbraw/zinc/86/73/13/468867313.db2.gz BYRBKCLQVPYCAN-UHFFFAOYSA-N -1 3 334.419 2.202 10 5 EEBEHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601440218 468874470 /nfs/dbraw/zinc/87/44/70/468874470.db2.gz SOESXYAJLNEQMF-TVQRCGJNSA-N -1 3 348.446 2.447 10 5 EEBEHM CC(C)(C)n1nnc(C(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000598825881 469015329 /nfs/dbraw/zinc/01/53/29/469015329.db2.gz AGMWWEOWXYKSHK-UHFFFAOYSA-N -1 3 341.331 2.137 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000588139008 469119525 /nfs/dbraw/zinc/11/95/25/469119525.db2.gz YOGGNHRIQVLJLC-UHFFFAOYSA-N -1 3 332.353 2.164 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599480315 469270575 /nfs/dbraw/zinc/27/05/75/469270575.db2.gz BBRVCBBTBLYJHO-QHBPRCKVSA-N -1 3 340.401 2.318 10 5 EEBEHM O=c1[nH][n-]cc1CCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001187174453 1279436064 /nfs/dbraw/zinc/43/60/64/1279436064.db2.gz HHDLCOBYOWFDIB-QMMMGPOBSA-N -1 3 348.750 2.115 10 5 EEBEHM Cc1ccc(N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001164131740 1321299027 /nfs/dbraw/zinc/29/90/27/1321299027.db2.gz YLTZNCIDGUTAJK-GFCCVEGCSA-N -1 3 329.360 2.398 10 5 EEBEHM CNc1c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cccc1[N+](=O)[O-] ZINC001636182686 1352660722 /nfs/dbraw/zinc/66/07/22/1352660722.db2.gz PHVUJBQXBKHKTA-UHFFFAOYSA-N -1 3 327.300 2.471 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)C2 ZINC001454287972 1107004175 /nfs/dbraw/zinc/00/41/75/1107004175.db2.gz ZPCHFNBZTIXXIR-UHFFFAOYSA-N -1 3 332.291 2.002 10 5 EEBEHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)nn1-c1ccccc1 ZINC001533826157 1123263777 /nfs/dbraw/zinc/26/37/77/1123263777.db2.gz NHATUEFOGQQPDS-UHFFFAOYSA-N -1 3 338.327 2.440 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000159083182 206225393 /nfs/dbraw/zinc/22/53/93/206225393.db2.gz CPGNQVCQFNURFM-UHFFFAOYSA-N -1 3 326.374 2.382 10 5 EEBEHM COC(=O)CCCO[N-]C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000288710827 275081851 /nfs/dbraw/zinc/08/18/51/275081851.db2.gz DHNPLSDUIVKFLD-UHFFFAOYSA-N -1 3 325.321 2.218 10 5 EEBEHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000170735817 311394930 /nfs/dbraw/zinc/39/49/30/311394930.db2.gz WDWOLMOVKXIXKQ-CYBMUJFWSA-N -1 3 336.369 2.261 10 5 EEBEHM CS(=O)(=O)c1csc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1 ZINC000349427571 312304100 /nfs/dbraw/zinc/30/41/00/312304100.db2.gz ADOJFLUDAKTUJZ-UHFFFAOYSA-N -1 3 344.345 2.451 10 5 EEBEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000443958068 315265988 /nfs/dbraw/zinc/26/59/88/315265988.db2.gz KJNJHEDEGDHTCK-AWEZNQCLSA-N -1 3 343.383 2.203 10 5 EEBEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000578777331 323706864 /nfs/dbraw/zinc/70/68/64/323706864.db2.gz FUZBMNJQEWAWDM-DGCLKSJQSA-N -1 3 344.433 2.287 10 5 EEBEHM CCC[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000285205180 464487128 /nfs/dbraw/zinc/48/71/28/464487128.db2.gz DGTFPLAIRIZWAI-CYBMUJFWSA-N -1 3 348.808 2.486 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCO1 ZINC000420717596 467462035 /nfs/dbraw/zinc/46/20/35/467462035.db2.gz DIUOITRCWIBFCI-CHWSQXEVSA-N -1 3 342.417 2.448 10 5 EEBEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852216 468705471 /nfs/dbraw/zinc/70/54/71/468705471.db2.gz OLVWWXWKQBASHQ-ONGXEEELSA-N -1 3 348.808 2.484 10 5 EEBEHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601414758 468864576 /nfs/dbraw/zinc/86/45/76/468864576.db2.gz HFFIHYRUJNTSIN-NSHDSACASA-N -1 3 347.462 2.117 10 5 EEBEHM CO[C@](C)(C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601416255 468865060 /nfs/dbraw/zinc/86/50/60/468865060.db2.gz SKGWXQFSTRKERO-GFCCVEGCSA-N -1 3 334.419 2.058 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000593568630 469039752 /nfs/dbraw/zinc/03/97/52/469039752.db2.gz WKLZHSROBYDQJT-LLVKDONJSA-N -1 3 340.361 2.024 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc([N+](=O)[O-])c1 ZINC001275483661 1205381218 /nfs/dbraw/zinc/38/12/18/1205381218.db2.gz PRIVWXPJEIBDJC-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc([N+](=O)[O-])c1 ZINC001275483661 1205381220 /nfs/dbraw/zinc/38/12/20/1205381220.db2.gz PRIVWXPJEIBDJC-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM COCCOCCOc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001187765972 1279647977 /nfs/dbraw/zinc/64/79/77/1279647977.db2.gz ZFOBWCDXFMGOCX-UHFFFAOYSA-N -1 3 349.343 2.481 10 5 EEBEHM CCc1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)no1 ZINC001436141362 1342012772 /nfs/dbraw/zinc/01/27/72/1342012772.db2.gz PECSIXLOQJCPJJ-UHFFFAOYSA-N -1 3 333.300 2.493 10 5 EEBEHM COc1cc(NCCCc2c[n-][nH]c2=O)c(Cl)cc1[N+](=O)[O-] ZINC001458518530 1109885414 /nfs/dbraw/zinc/88/54/14/1109885414.db2.gz WFVNIGHBWRSPOK-QMMMGPOBSA-N -1 3 326.740 2.181 10 5 EEBEHM COc1c(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC001469700753 1110495717 /nfs/dbraw/zinc/49/57/17/1110495717.db2.gz VKIBYRGCCOYBJA-UHFFFAOYSA-N -1 3 346.343 2.073 10 5 EEBEHM O=c1[n-]ccc(NCCc2nc(Cc3ccccc3)no2)c1[N+](=O)[O-] ZINC001472901086 1110565455 /nfs/dbraw/zinc/56/54/55/1110565455.db2.gz YEWRHLJNDRMECQ-UHFFFAOYSA-N -1 3 341.327 2.324 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc(OC)cc(OC)n1 ZINC001540011447 1124071713 /nfs/dbraw/zinc/07/17/13/1124071713.db2.gz ACUYQMCAXFHTFS-UHFFFAOYSA-N -1 3 348.315 2.053 10 5 EEBEHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447935749 242341994 /nfs/dbraw/zinc/34/19/94/242341994.db2.gz JKZYUFRUOVCHSP-JTQLQIEISA-N -1 3 347.462 2.055 10 5 EEBEHM O=C(Nc1ccccc1[O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109984273 159355786 /nfs/dbraw/zinc/35/57/86/159355786.db2.gz BRHDUZMLCWONFJ-LLVKDONJSA-N -1 3 345.311 2.137 10 5 EEBEHM CCC[N@@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559590 162187720 /nfs/dbraw/zinc/18/77/20/162187720.db2.gz JRFSPWKFOQRRCA-JTQLQIEISA-N -1 3 335.451 2.055 10 5 EEBEHM CCCN(CC)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559590 162187723 /nfs/dbraw/zinc/18/77/23/162187723.db2.gz JRFSPWKFOQRRCA-JTQLQIEISA-N -1 3 335.451 2.055 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)cc1C ZINC000188755978 268568100 /nfs/dbraw/zinc/56/81/00/268568100.db2.gz SVSGFWMWFBGSJU-LBPRGKRZSA-N -1 3 342.417 2.448 10 5 EEBEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000289642937 275135165 /nfs/dbraw/zinc/13/51/65/275135165.db2.gz SNESTBUKBLTWAQ-BDAKNGLRSA-N -1 3 336.797 2.258 10 5 EEBEHM CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000159806340 289208308 /nfs/dbraw/zinc/20/83/08/289208308.db2.gz FBSQTOBZVMUZGG-AWEZNQCLSA-N -1 3 329.356 2.333 10 5 EEBEHM COc1ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c2ncccc12 ZINC000547784842 318322246 /nfs/dbraw/zinc/32/22/46/318322246.db2.gz GVLNJGKVSQOBQU-UHFFFAOYSA-N -1 3 327.300 2.137 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000564910678 319126524 /nfs/dbraw/zinc/12/65/24/319126524.db2.gz IFWUUDOXMIBYHA-UHFFFAOYSA-N -1 3 342.417 2.307 10 5 EEBEHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CO2 ZINC000156084478 462977458 /nfs/dbraw/zinc/97/74/58/462977458.db2.gz GWUNUKJSDSGBNZ-HNNXBMFYSA-N -1 3 348.380 2.456 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000097163692 463340290 /nfs/dbraw/zinc/34/02/90/463340290.db2.gz GCCXLFYYHLGFKT-JTQLQIEISA-N -1 3 339.348 2.477 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccsc1 ZINC000056042757 463371560 /nfs/dbraw/zinc/37/15/60/463371560.db2.gz PKCOELDKLFQKSA-UHFFFAOYSA-N -1 3 326.399 2.486 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000193982847 463767680 /nfs/dbraw/zinc/76/76/80/463767680.db2.gz DUMNSVYANUDYKI-GFCCVEGCSA-N -1 3 348.380 2.222 10 5 EEBEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269165038 463896003 /nfs/dbraw/zinc/89/60/03/463896003.db2.gz FBTVTDWORSPELN-OAHLLOKOSA-N -1 3 343.383 2.203 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCOC(C)C)c1 ZINC000186582052 464027091 /nfs/dbraw/zinc/02/70/91/464027091.db2.gz QHLNOZOJXJXGIS-UHFFFAOYSA-N -1 3 336.797 2.260 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000320078036 466602781 /nfs/dbraw/zinc/60/27/81/466602781.db2.gz XLVKXUROCHEKCO-ONGXEEELSA-N -1 3 348.808 2.078 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1 ZINC000420727479 467464991 /nfs/dbraw/zinc/46/49/91/467464991.db2.gz OJHVQXICLDUACX-ZJUUUORDSA-N -1 3 334.419 2.201 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000592067572 468611196 /nfs/dbraw/zinc/61/11/96/468611196.db2.gz JHAYFHKJKLQRPU-MRVPVSSYSA-N -1 3 338.332 2.173 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)O2)cc1C ZINC000594850174 468704273 /nfs/dbraw/zinc/70/42/73/468704273.db2.gz CHUWWJKMNAZCHN-CHWSQXEVSA-N -1 3 342.417 2.448 10 5 EEBEHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000592763610 468779185 /nfs/dbraw/zinc/77/91/85/468779185.db2.gz XDCKSIRWZZDLNC-LLVKDONJSA-N -1 3 339.779 2.263 10 5 EEBEHM CCSC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000595349273 468820736 /nfs/dbraw/zinc/82/07/36/468820736.db2.gz WGGQBINRDSDBMJ-UHFFFAOYSA-N -1 3 346.430 2.167 10 5 EEBEHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601431209 468870014 /nfs/dbraw/zinc/87/00/14/468870014.db2.gz HWTAKMZESOPJBC-KWQFWETISA-N -1 3 334.419 2.057 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000601482421 468892669 /nfs/dbraw/zinc/89/26/69/468892669.db2.gz VTAMOPKALWOFCU-ZDUSSCGKSA-N -1 3 326.374 2.214 10 5 EEBEHM Cn1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C(F)F ZINC000611159610 469176919 /nfs/dbraw/zinc/17/69/19/469176919.db2.gz MJGZYVPDHHVQDZ-UHFFFAOYSA-N -1 3 336.258 2.395 10 5 EEBEHM C[C@@H]1[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000596221135 469209323 /nfs/dbraw/zinc/20/93/23/469209323.db2.gz VXSWVHWSUFKMSO-BXUZGUMPSA-N -1 3 342.355 2.297 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)n1 ZINC001164131478 1321298888 /nfs/dbraw/zinc/29/88/88/1321298888.db2.gz SILVFAXGHZWQHR-LBPRGKRZSA-N -1 3 344.375 2.183 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)n1 ZINC001319169274 1332660228 /nfs/dbraw/zinc/66/02/28/1332660228.db2.gz ADBAQVITYTVDSM-UHFFFAOYSA-N -1 3 341.776 2.483 10 5 EEBEHM Cc1sc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1[N+](=O)[O-] ZINC000119883307 159381672 /nfs/dbraw/zinc/38/16/72/159381672.db2.gz FXVQKRFFRONBTQ-UHFFFAOYSA-N -1 3 332.345 2.341 10 5 EEBEHM Cc1sc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1[N+](=O)[O-] ZINC000119883307 159381673 /nfs/dbraw/zinc/38/16/73/159381673.db2.gz FXVQKRFFRONBTQ-UHFFFAOYSA-N -1 3 332.345 2.341 10 5 EEBEHM O=C([N-]c1ccc2c(c1F)CCNC2=O)c1ccc([N+](=O)[O-])s1 ZINC000341833277 161017201 /nfs/dbraw/zinc/01/72/01/161017201.db2.gz AAXRHYRMYGDNTD-UHFFFAOYSA-N -1 3 335.316 2.334 10 5 EEBEHM CC(=O)c1cnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000346363386 161366757 /nfs/dbraw/zinc/36/67/57/161366757.db2.gz VAPITKCVLVHLFP-UHFFFAOYSA-N -1 3 349.324 2.277 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c(C)cc1[N+](=O)[O-] ZINC000414448774 313022905 /nfs/dbraw/zinc/02/29/05/313022905.db2.gz BLISERDKIDZEHQ-UHFFFAOYSA-N -1 3 344.286 2.390 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416596062 313269193 /nfs/dbraw/zinc/26/91/93/313269193.db2.gz RCISYKXSHOXJDZ-GHMZBOCLSA-N -1 3 332.353 2.162 10 5 EEBEHM COc1cccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1[O-] ZINC000436823498 315002457 /nfs/dbraw/zinc/00/24/57/315002457.db2.gz BEXLNTJMHPXDGY-UHFFFAOYSA-N -1 3 332.312 2.248 10 5 EEBEHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273159010 464707011 /nfs/dbraw/zinc/70/70/11/464707011.db2.gz NFACYUVPPJCCAJ-SNVBAGLBSA-N -1 3 344.389 2.238 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCOC(C)(C)C ZINC000594846649 468703375 /nfs/dbraw/zinc/70/33/75/468703375.db2.gz BOWCECIQYDUDRQ-UHFFFAOYSA-N -1 3 346.405 2.087 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594853555 468706982 /nfs/dbraw/zinc/70/69/82/468706982.db2.gz ZUBUYTNORXAGTD-WCBMZHEXSA-N -1 3 334.419 2.201 10 5 EEBEHM CC(C)CCc1nnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000598744850 468982878 /nfs/dbraw/zinc/98/28/78/468982878.db2.gz HNFMNCPIPXURRV-UHFFFAOYSA-N -1 3 337.361 2.388 10 5 EEBEHM CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593607817 469057286 /nfs/dbraw/zinc/05/72/86/469057286.db2.gz IKIJEJFUOFXBCK-RYUDHWBXSA-N -1 3 327.406 2.483 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC2(CO)CCC2)c1[N+](=O)[O-] ZINC000593664196 469083996 /nfs/dbraw/zinc/08/39/96/469083996.db2.gz HWFSINKNXZJCKN-UHFFFAOYSA-N -1 3 342.417 2.043 10 5 EEBEHM COC(=O)c1cccc2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596292729 469235485 /nfs/dbraw/zinc/23/54/85/469235485.db2.gz QUODXKQYFKNGQI-UHFFFAOYSA-N -1 3 329.312 2.045 10 5 EEBEHM CCc1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC001306510485 1331475346 /nfs/dbraw/zinc/47/53/46/1331475346.db2.gz ZNYUINFLFUZXQL-UHFFFAOYSA-N -1 3 328.288 2.183 10 5 EEBEHM Cc1c(C[S@](C)=O)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001565760459 1342561689 /nfs/dbraw/zinc/56/16/89/1342561689.db2.gz DIEKMXXQFHGGPZ-DEOSSOPVSA-N -1 3 349.368 2.135 10 5 EEBEHM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595234 1352712210 /nfs/dbraw/zinc/71/22/10/1352712210.db2.gz QOPWLAPYHCXDCR-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCO1 ZINC000921674809 793387701 /nfs/dbraw/zinc/38/77/01/793387701.db2.gz IIHXUNZXINOZCE-CYBMUJFWSA-N -1 3 348.808 2.486 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CC2)c([N+](=O)[O-])s1 ZINC000922098416 798912621 /nfs/dbraw/zinc/91/26/21/798912621.db2.gz KGEKKNJZRXSSJW-NSHDSACASA-N -1 3 346.430 2.345 10 5 EEBEHM COC(=O)c1ccnc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC001523897100 1119915370 /nfs/dbraw/zinc/91/53/70/1119915370.db2.gz WMSWSYBXXLBQKQ-UHFFFAOYSA-N -1 3 333.275 2.476 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c(F)c1 ZINC000451608534 243174975 /nfs/dbraw/zinc/17/49/75/243174975.db2.gz NKKMMSMTOXZUQS-UHFFFAOYSA-N -1 3 346.380 2.219 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)C ZINC000416534769 313249149 /nfs/dbraw/zinc/24/91/49/313249149.db2.gz XZBZFAGFUZYCLD-ZYHUDNBSSA-N -1 3 328.390 2.316 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)C1 ZINC000073636944 463636828 /nfs/dbraw/zinc/63/68/28/463636828.db2.gz XYGVSCDGSDXIIM-MNOVXSKESA-N -1 3 328.390 2.460 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(OC(F)F)cc2F)n1 ZINC000338101056 465822022 /nfs/dbraw/zinc/82/20/22/465822022.db2.gz SSRVZMKTMPSUMB-UHFFFAOYSA-N -1 3 330.222 2.321 10 5 EEBEHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000531941455 468086446 /nfs/dbraw/zinc/08/64/46/468086446.db2.gz MAVGPTUVPHKTTL-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000594770890 468680400 /nfs/dbraw/zinc/68/04/00/468680400.db2.gz RETRODSCKMCYFB-WDAIWFPHSA-N -1 3 333.369 2.220 10 5 EEBEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594801231 468691921 /nfs/dbraw/zinc/69/19/21/468691921.db2.gz LEXUBYPJIYEQFO-ZDUSSCGKSA-N -1 3 342.417 2.387 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000594854189 468707231 /nfs/dbraw/zinc/70/72/31/468707231.db2.gz ZKUDDPMVKAUHID-SCVCMEIPSA-N -1 3 328.365 2.448 10 5 EEBEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595392957 468836705 /nfs/dbraw/zinc/83/67/05/468836705.db2.gz RCROXVYHMGZNNZ-VIFPVBQESA-N -1 3 348.808 2.342 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])s1 ZINC000601371732 468846286 /nfs/dbraw/zinc/84/62/86/468846286.db2.gz PJSGJQFWQVLBFL-HBNTYKKESA-N -1 3 346.430 2.201 10 5 EEBEHM COCCC1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601407442 468861260 /nfs/dbraw/zinc/86/12/60/468861260.db2.gz RKPAQTUUXPGCBC-UHFFFAOYSA-N -1 3 334.419 2.202 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601439825 468874604 /nfs/dbraw/zinc/87/46/04/468874604.db2.gz MWXKFRPMQCEBLI-QNSHHTMESA-N -1 3 334.419 2.057 10 5 EEBEHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560626 469035526 /nfs/dbraw/zinc/03/55/26/469035526.db2.gz VSUQFLHJJKPMTD-NEPJUHHUSA-N -1 3 345.446 2.332 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2Cc3ccccc3C2)nc1 ZINC000593569242 469041491 /nfs/dbraw/zinc/04/14/91/469041491.db2.gz YUAUZAUSCLPDLW-UHFFFAOYSA-N -1 3 347.396 2.073 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)nc1 ZINC000593578120 469044926 /nfs/dbraw/zinc/04/49/26/469044926.db2.gz LGCRQRWCHVZMQS-NSHDSACASA-N -1 3 339.398 2.407 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610715845 469048163 /nfs/dbraw/zinc/04/81/63/469048163.db2.gz PRYKDRZRIJOKJU-CQSZACIVSA-N -1 3 342.417 2.468 10 5 EEBEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000599317340 469207959 /nfs/dbraw/zinc/20/79/59/469207959.db2.gz VDUANKBCLBARNE-UHFFFAOYSA-N -1 3 339.373 2.295 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000599459130 469265117 /nfs/dbraw/zinc/26/51/17/469265117.db2.gz DIDQMAMZCLYUJX-VOAKCMCISA-N -1 3 342.417 2.302 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000599484773 469273790 /nfs/dbraw/zinc/27/37/90/469273790.db2.gz ZSRAVWBMIUJCNK-OLZOCXBDSA-N -1 3 340.401 2.057 10 5 EEBEHM COc1cc(CNC[C@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1OC ZINC000596658497 469324641 /nfs/dbraw/zinc/32/46/41/469324641.db2.gz SDOBGQJYOMUAPD-LBPRGKRZSA-N -1 3 338.360 2.203 10 5 EEBEHM Cc1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1[N+](=O)[O-] ZINC001648977800 1187260773 /nfs/dbraw/zinc/26/07/73/1187260773.db2.gz OOBMAJJEEDHXEN-UHFFFAOYSA-N -1 3 329.291 2.244 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001132572781 1199872792 /nfs/dbraw/zinc/87/27/92/1199872792.db2.gz MHOTVLDTQYXCBD-VMPITWQZSA-N -1 3 326.312 2.083 10 5 EEBEHM O=c1[n-]ccc(N2Cc3cccnc3N3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000866159022 1201450151 /nfs/dbraw/zinc/45/01/51/1201450151.db2.gz YAPXZTNHJPKIOD-GFCCVEGCSA-N -1 3 327.344 2.079 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1F ZINC000867614897 1201644236 /nfs/dbraw/zinc/64/42/36/1201644236.db2.gz RCISYKXSHOXJDZ-WDEREUQCSA-N -1 3 332.353 2.162 10 5 EEBEHM Cc1cc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC001160948038 1320327915 /nfs/dbraw/zinc/32/79/15/1320327915.db2.gz FIPPXPIFNBMJPK-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC001160948038 1320327919 /nfs/dbraw/zinc/32/79/19/1320327919.db2.gz FIPPXPIFNBMJPK-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM O=C(Nc1ccnc(N2CCCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161861063 1320652224 /nfs/dbraw/zinc/65/22/24/1320652224.db2.gz LQUSRXZHQAPDGR-UHFFFAOYSA-N -1 3 343.343 2.333 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001295912506 1329853180 /nfs/dbraw/zinc/85/31/80/1329853180.db2.gz IHZIQLITMQPGNC-RYUDHWBXSA-N -1 3 344.327 2.237 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001295912506 1329853181 /nfs/dbraw/zinc/85/31/81/1329853181.db2.gz IHZIQLITMQPGNC-RYUDHWBXSA-N -1 3 344.327 2.237 10 5 EEBEHM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001565760460 1342561418 /nfs/dbraw/zinc/56/14/18/1342561418.db2.gz DIEKMXXQFHGGPZ-XMMPIXPASA-N -1 3 349.368 2.135 10 5 EEBEHM C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001651187905 1354042565 /nfs/dbraw/zinc/04/25/65/1354042565.db2.gz YPORWYHPTISKFH-IUCAKERBSA-N -1 3 349.322 2.305 10 5 EEBEHM Cc1ccccc1-n1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001146525367 791320715 /nfs/dbraw/zinc/32/07/15/791320715.db2.gz CWYLGJLENOPVHD-UHFFFAOYSA-N -1 3 339.311 2.442 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)ccc1[N+](=O)[O-] ZINC001456335115 1109147214 /nfs/dbraw/zinc/14/72/14/1109147214.db2.gz QUVAPMNXRRVFAD-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)ccc1[N+](=O)[O-] ZINC001456335115 1109147216 /nfs/dbraw/zinc/14/72/16/1109147216.db2.gz QUVAPMNXRRVFAD-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC001465473473 1110418394 /nfs/dbraw/zinc/41/83/94/1110418394.db2.gz IPTQFBBOURZYCC-MRVPVSSYSA-N -1 3 333.275 2.262 10 5 EEBEHM O=C(Nc1cccnc1N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001466459481 1110436131 /nfs/dbraw/zinc/43/61/31/1110436131.db2.gz SQSQEHQHQHLVAN-UHFFFAOYSA-N -1 3 343.343 2.333 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000451959979 243326066 /nfs/dbraw/zinc/32/60/66/243326066.db2.gz OIECNYLKHJMGLW-UHFFFAOYSA-N -1 3 339.373 2.155 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c(F)c1 ZINC000194622451 160197349 /nfs/dbraw/zinc/19/73/49/160197349.db2.gz PPUCJLZIKHPZAN-GFCCVEGCSA-N -1 3 338.316 2.146 10 5 EEBEHM C[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000344778990 161245019 /nfs/dbraw/zinc/24/50/19/161245019.db2.gz SXIRVPZNFMRWNM-GFCCVEGCSA-N -1 3 333.388 2.247 10 5 EEBEHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000339032871 465040139 /nfs/dbraw/zinc/04/01/39/465040139.db2.gz JVHALQOCVPEZRZ-SECBINFHSA-N -1 3 327.337 2.169 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000063186842 462631200 /nfs/dbraw/zinc/63/12/00/462631200.db2.gz ICJFSDMJFHJSNC-KGLIPLIRSA-N -1 3 348.380 2.438 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c1 ZINC000295203627 464744468 /nfs/dbraw/zinc/74/44/68/464744468.db2.gz FNXJLQQBITYGNX-NSHDSACASA-N -1 3 348.808 2.402 10 5 EEBEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594801382 468691788 /nfs/dbraw/zinc/69/17/88/468691788.db2.gz MSPSVHHEKIUWCK-LLVKDONJSA-N -1 3 348.446 2.448 10 5 EEBEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)O1 ZINC000601499998 468895600 /nfs/dbraw/zinc/89/56/00/468895600.db2.gz TVRASXZIGLHWKS-SOCHQFKDSA-N -1 3 334.781 2.092 10 5 EEBEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)O1 ZINC000601499997 468895987 /nfs/dbraw/zinc/89/59/87/468895987.db2.gz TVRASXZIGLHWKS-FYBVGQRMSA-N -1 3 334.781 2.092 10 5 EEBEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601500670 468896654 /nfs/dbraw/zinc/89/66/54/468896654.db2.gz ZPVMRQDWEOMKNF-MRTMQBJTSA-N -1 3 334.781 2.092 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)c1ccncc1 ZINC000610518527 468992774 /nfs/dbraw/zinc/99/27/74/468992774.db2.gz XSZCNOYKCMJJSS-LBPRGKRZSA-N -1 3 335.385 2.380 10 5 EEBEHM NC(=O)c1cc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cs1 ZINC001274131052 1204392718 /nfs/dbraw/zinc/39/27/18/1204392718.db2.gz PZFWVRRYJFLDSD-UHFFFAOYSA-N -1 3 327.268 2.286 10 5 EEBEHM O=c1[n-]ccc(NCCc2nnc(-c3ccccc3)o2)c1[N+](=O)[O-] ZINC001185621537 1278737052 /nfs/dbraw/zinc/73/70/52/1278737052.db2.gz UMVBQVDTGYUPEQ-UHFFFAOYSA-N -1 3 327.300 2.400 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C2CCOCC2)c([N+](=O)[O-])s1 ZINC000867203808 1284298697 /nfs/dbraw/zinc/29/86/97/1284298697.db2.gz XAFOBJLEUIRDDG-UHFFFAOYSA-N -1 3 348.446 2.448 10 5 EEBEHM C[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001628247098 1352526687 /nfs/dbraw/zinc/52/66/87/1352526687.db2.gz VMXSRXYTQXMUII-VHSXEESVSA-N -1 3 348.334 2.282 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2cn(C)c(=O)cc2C)c1F ZINC001465604268 1110420539 /nfs/dbraw/zinc/42/05/39/1110420539.db2.gz IRMHOTBSPCPOOX-UHFFFAOYSA-N -1 3 337.282 2.441 10 5 EEBEHM O=c1[n-]ccc(NCC[C@H]2CCC3(CCOCC3)CO2)c1[N+](=O)[O-] ZINC001472874841 1110564774 /nfs/dbraw/zinc/56/47/74/1110564774.db2.gz MQROCMWHVUDBSQ-GFCCVEGCSA-N -1 3 337.376 2.473 10 5 EEBEHM O=C([N-]c1noc2c1CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001537808327 1124015026 /nfs/dbraw/zinc/01/50/26/1124015026.db2.gz DHPMIVOQTIPAME-UHFFFAOYSA-N -1 3 331.284 2.443 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000040998399 213407070 /nfs/dbraw/zinc/40/70/70/213407070.db2.gz LLKDGEJDNREEBM-UHFFFAOYSA-N -1 3 347.805 2.492 10 5 EEBEHM Cc1noc([N-]C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1C ZINC000272939789 256250664 /nfs/dbraw/zinc/25/06/64/256250664.db2.gz WTZPFQRLMFSKMS-CYBMUJFWSA-N -1 3 330.300 2.331 10 5 EEBEHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967254 161028150 /nfs/dbraw/zinc/02/81/50/161028150.db2.gz ZJZOWHIGILOMSA-SNVBAGLBSA-N -1 3 335.451 2.055 10 5 EEBEHM CCOc1cc(C(=O)NCc2ncccc2[O-])c([N+](=O)[O-])cc1OC ZINC000352518805 162168774 /nfs/dbraw/zinc/16/87/74/162168774.db2.gz ZNIPFDHHEIPYSX-UHFFFAOYSA-N -1 3 347.327 2.033 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000416493495 313237199 /nfs/dbraw/zinc/23/71/99/313237199.db2.gz HEUPANJYGJBQBI-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CCC2)c(Cl)c1 ZINC000579903536 323949950 /nfs/dbraw/zinc/94/99/50/323949950.db2.gz RIEMCDTVVOQLDF-UHFFFAOYSA-N -1 3 348.808 2.343 10 5 EEBEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000188529366 464304334 /nfs/dbraw/zinc/30/43/34/464304334.db2.gz BLVUUFJFKYANLW-IUCAKERBSA-N -1 3 336.797 2.258 10 5 EEBEHM Cc1noc([N-]C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1C ZINC000272939791 464696558 /nfs/dbraw/zinc/69/65/58/464696558.db2.gz WTZPFQRLMFSKMS-ZDUSSCGKSA-N -1 3 330.300 2.331 10 5 EEBEHM Cc1nn(-c2ccccc2)cc1[N-]c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000182804691 464731823 /nfs/dbraw/zinc/73/18/23/464731823.db2.gz VMAPNDIIJJAXHB-UHFFFAOYSA-N -1 3 338.327 2.326 10 5 EEBEHM CN(CCCN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-])Cc1ccco1 ZINC000286444114 464921261 /nfs/dbraw/zinc/92/12/61/464921261.db2.gz HDSIWPKGNXVVGE-UHFFFAOYSA-N -1 3 347.371 2.488 10 5 EEBEHM COc1cccc([N+](=O)[O-])c1NCCNC(=O)c1ccc([O-])cc1 ZINC000554800237 468444709 /nfs/dbraw/zinc/44/47/09/468444709.db2.gz IZJIRKGAPZJKAJ-UHFFFAOYSA-N -1 3 331.328 2.151 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000420727911 467465007 /nfs/dbraw/zinc/46/50/07/467465007.db2.gz OWXYDOQDNSMVSX-KOLCDFICSA-N -1 3 348.808 2.484 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cscc1C ZINC000487404926 468036527 /nfs/dbraw/zinc/03/65/27/468036527.db2.gz VLVJVJNUAFVHEK-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594480145 468602263 /nfs/dbraw/zinc/60/22/63/468602263.db2.gz ZTMYEJBWZLBSMV-JTQLQIEISA-N -1 3 348.396 2.463 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(C)C)C1CC1 ZINC000595363597 468826503 /nfs/dbraw/zinc/82/65/03/468826503.db2.gz HWXFKHINHXIBTB-ZDUSSCGKSA-N -1 3 328.390 2.316 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601471706 468888458 /nfs/dbraw/zinc/88/84/58/468888458.db2.gz GWXAHDOMHVBMPS-JTQLQIEISA-N -1 3 334.419 2.060 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@@H]2C)cc1C ZINC000601500574 468895638 /nfs/dbraw/zinc/89/56/38/468895638.db2.gz YTKDPYDGROAGTN-QJPTWQEYSA-N -1 3 328.390 2.056 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601513557 468902715 /nfs/dbraw/zinc/90/27/15/468902715.db2.gz FBFMFERSJFYOBA-HIFRSBDPSA-N -1 3 340.401 2.221 10 5 EEBEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000585741226 469023617 /nfs/dbraw/zinc/02/36/17/469023617.db2.gz RJJIOFHZFURWAA-HZGVNTEJSA-N -1 3 335.179 2.044 10 5 EEBEHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560632 469035860 /nfs/dbraw/zinc/03/58/60/469035860.db2.gz VSUQFLHJJKPMTD-RYUDHWBXSA-N -1 3 345.446 2.332 10 5 EEBEHM COc1ccccc1[C@@H]1CNCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593727084 469111354 /nfs/dbraw/zinc/11/13/54/469111354.db2.gz CNADWMZMCYOJHN-KRWDZBQOSA-N -1 3 343.383 2.456 10 5 EEBEHM COc1cc2c(cc1OC)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596086725 469147101 /nfs/dbraw/zinc/14/71/01/469147101.db2.gz CHXCIIVKTCNEHN-UHFFFAOYSA-N -1 3 345.355 2.318 10 5 EEBEHM COc1cc(F)ccc1N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596129591 469169522 /nfs/dbraw/zinc/16/95/22/469169522.db2.gz TYEPRJWUDCOGEF-UHFFFAOYSA-N -1 3 348.334 2.170 10 5 EEBEHM O=c1[n-]ccc(NCCc2csc(N3CCCC3)n2)c1[N+](=O)[O-] ZINC000596147071 469173865 /nfs/dbraw/zinc/17/38/65/469173865.db2.gz RNPQIRSXJAGYPC-UHFFFAOYSA-N -1 3 335.389 2.407 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000599364485 469228557 /nfs/dbraw/zinc/22/85/57/469228557.db2.gz KAJVFAZUTYSGPB-SNVBAGLBSA-N -1 3 348.808 2.343 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599364917 469228867 /nfs/dbraw/zinc/22/88/67/469228867.db2.gz OPMUEFXRDADKOS-SNVBAGLBSA-N -1 3 334.419 2.060 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000599484772 469273494 /nfs/dbraw/zinc/27/34/94/469273494.db2.gz ZSRAVWBMIUJCNK-CHWSQXEVSA-N -1 3 340.401 2.057 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)cs1 ZINC000768865607 577564535 /nfs/dbraw/zinc/56/45/35/577564535.db2.gz JSBMJTNKXIDCEU-ZDUSSCGKSA-N -1 3 339.398 2.481 10 5 EEBEHM Nc1c(NC([O-])=NO[C@H]2CCCCO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575087 1198043068 /nfs/dbraw/zinc/04/30/68/1198043068.db2.gz GCAVYKBYTHTMJG-JTQLQIEISA-N -1 3 330.728 2.410 10 5 EEBEHM Nc1c(NC(=O)[N-]O[C@H]2CCCCO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575087 1198043077 /nfs/dbraw/zinc/04/30/77/1198043077.db2.gz GCAVYKBYTHTMJG-JTQLQIEISA-N -1 3 330.728 2.410 10 5 EEBEHM O=C(OCCn1cnc([N+](=O)[O-])n1)c1cc2cc(Cl)sc2[n-]1 ZINC000810607359 1199625577 /nfs/dbraw/zinc/62/55/77/1199625577.db2.gz KMDMOASMGTWMNU-UHFFFAOYSA-N -1 3 341.736 2.240 10 5 EEBEHM CN(C)C(=O)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001624342155 1352419441 /nfs/dbraw/zinc/41/94/41/1352419441.db2.gz CVRDMUNUXOIJDC-UHFFFAOYSA-N -1 3 345.315 2.041 10 5 EEBEHM CC(C)(C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001631827402 1352589700 /nfs/dbraw/zinc/58/97/00/1352589700.db2.gz XKHCNMRNQXFTCZ-LLVKDONJSA-N -1 3 344.371 2.317 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001655491639 1354175180 /nfs/dbraw/zinc/17/51/80/1354175180.db2.gz IWDMLJDFZYYLOY-UHFFFAOYSA-N -1 3 342.355 2.492 10 5 EEBEHM CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172958036 791799761 /nfs/dbraw/zinc/79/97/61/791799761.db2.gz VKOJRQWWUZBHKG-UHFFFAOYSA-N -1 3 337.195 2.436 10 5 EEBEHM COc1cc([C@H]2NC(=O)c3ccc(F)cc3N2)c([N+](=O)[O-])cc1[O-] ZINC000917502736 798245472 /nfs/dbraw/zinc/24/54/72/798245472.db2.gz SGLWWYQTJNXPHX-CQSZACIVSA-N -1 3 333.275 2.302 10 5 EEBEHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2CC=CC2)c1 ZINC000132164631 798863356 /nfs/dbraw/zinc/86/33/56/798863356.db2.gz PMFUZHKXXVYANF-UHFFFAOYSA-N -1 3 347.190 2.354 10 5 EEBEHM NC(=O)c1cc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)cs1 ZINC001129378726 804864422 /nfs/dbraw/zinc/86/44/22/804864422.db2.gz LKICIGHGTIEXRS-UHFFFAOYSA-N -1 3 327.268 2.286 10 5 EEBEHM CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472887730 1110565318 /nfs/dbraw/zinc/56/53/18/1110565318.db2.gz MHWQPGOMCZPJDT-LURJTMIESA-N -1 3 333.274 2.430 10 5 EEBEHM COC(=O)c1cc(C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001543399693 1124129491 /nfs/dbraw/zinc/12/94/91/1124129491.db2.gz DKXTXUWLOOHXAI-UHFFFAOYSA-N -1 3 331.284 2.043 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000494275553 246925566 /nfs/dbraw/zinc/92/55/66/246925566.db2.gz AJVWMPXZSAWBKD-VIFPVBQESA-N -1 3 334.419 2.201 10 5 EEBEHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109984271 159356329 /nfs/dbraw/zinc/35/63/29/159356329.db2.gz BRHDUZMLCWONFJ-NSHDSACASA-N -1 3 345.311 2.137 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ncccc2[O-])c1 ZINC000345693127 161323633 /nfs/dbraw/zinc/32/36/33/161323633.db2.gz OPELAHHMUPHYAF-UHFFFAOYSA-N -1 3 331.328 2.089 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000416641060 313283028 /nfs/dbraw/zinc/28/30/28/313283028.db2.gz BPTXWKKOWLBHTG-OLZOCXBDSA-N -1 3 342.417 2.041 10 5 EEBEHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000093769515 463047668 /nfs/dbraw/zinc/04/76/68/463047668.db2.gz NCQMTCNHNIUGFP-UHFFFAOYSA-N -1 3 337.420 2.091 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000340090208 465757527 /nfs/dbraw/zinc/75/75/27/465757527.db2.gz GQRXUTISZLTBOP-OAHLLOKOSA-N -1 3 333.369 2.419 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCO1 ZINC000420720764 467462700 /nfs/dbraw/zinc/46/27/00/467462700.db2.gz HLMNXVTZHHDKLB-CHWSQXEVSA-N -1 3 342.417 2.448 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594488515 468606147 /nfs/dbraw/zinc/60/61/47/468606147.db2.gz SIKJTPFYQSMUPG-YPMHNXCESA-N -1 3 328.390 2.221 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCOC(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC000601327403 468827955 /nfs/dbraw/zinc/82/79/55/468827955.db2.gz VLAUQBBKFMKLBZ-UHFFFAOYSA-N -1 3 334.369 2.136 10 5 EEBEHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)(C)C ZINC000601361575 468839876 /nfs/dbraw/zinc/83/98/76/468839876.db2.gz NDYNGIWTTWKMNN-JTQLQIEISA-N -1 3 336.435 2.304 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601391201 468854990 /nfs/dbraw/zinc/85/49/90/468854990.db2.gz MTQDBLUMPQHMRO-KOLCDFICSA-N -1 3 348.446 2.448 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000601444921 468876813 /nfs/dbraw/zinc/87/68/13/468876813.db2.gz LBZFFYMZVXPREV-GHMZBOCLSA-N -1 3 346.380 2.278 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCc2ccccc2)nc1 ZINC000593531830 469020163 /nfs/dbraw/zinc/02/01/63/469020163.db2.gz UHFCDXGCFYOLCG-UHFFFAOYSA-N -1 3 335.385 2.291 10 5 EEBEHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000593572314 469042664 /nfs/dbraw/zinc/04/26/64/469042664.db2.gz LRDAQACYSDIJDD-UHFFFAOYSA-N -1 3 347.396 2.073 10 5 EEBEHM COc1ccc(CN2CC[C@@H]2CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000599141051 469133724 /nfs/dbraw/zinc/13/37/24/469133724.db2.gz VOEYNSBLEXWOCD-CYBMUJFWSA-N -1 3 344.371 2.390 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000599459129 469264790 /nfs/dbraw/zinc/26/47/90/469264790.db2.gz DIDQMAMZCLYUJX-RNJOBUHISA-N -1 3 342.417 2.302 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1C ZINC000599459406 469265585 /nfs/dbraw/zinc/26/55/85/469265585.db2.gz JACCQAUPFIKFER-NMKXLXIOSA-N -1 3 342.417 2.302 10 5 EEBEHM CCC(F)(F)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000859322493 1294393686 /nfs/dbraw/zinc/39/36/86/1294393686.db2.gz BHOWHFYTTMXDKJ-UHFFFAOYSA-N -1 3 326.296 2.366 10 5 EEBEHM O=[N+]([O-])c1cc(CN2CCC(Cc3nn[n-]n3)CC2)ccc1Cl ZINC001620549323 1352360412 /nfs/dbraw/zinc/36/04/12/1352360412.db2.gz YNFZVTGPSLOLQC-UHFFFAOYSA-N -1 3 336.783 2.216 10 5 EEBEHM Cc1cc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2[nH]c1=O ZINC001569494327 1342885275 /nfs/dbraw/zinc/88/52/75/1342885275.db2.gz XXNUBRRJCXILRV-UHFFFAOYSA-N -1 3 340.295 2.098 10 5 EEBEHM Cc1cc(N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])s1 ZINC001643180857 1352741628 /nfs/dbraw/zinc/74/16/28/1352741628.db2.gz WHELPCWMVZWXTL-JTQLQIEISA-N -1 3 335.389 2.460 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[n-]n1 ZINC001652733099 1354101172 /nfs/dbraw/zinc/10/11/72/1354101172.db2.gz GMIJYUWDJNTEPF-UHFFFAOYSA-N -1 3 336.279 2.275 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[n-]1 ZINC001652733099 1354101173 /nfs/dbraw/zinc/10/11/73/1354101173.db2.gz GMIJYUWDJNTEPF-UHFFFAOYSA-N -1 3 336.279 2.275 10 5 EEBEHM CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172957800 791799433 /nfs/dbraw/zinc/79/94/33/791799433.db2.gz PHBZYADRQOPLIB-UHFFFAOYSA-N -1 3 337.195 2.434 10 5 EEBEHM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCc2c(=O)[n-]cnc21 ZINC001532770903 1122931283 /nfs/dbraw/zinc/93/12/83/1122931283.db2.gz UXZLKRQGIACUFO-UHFFFAOYSA-N -1 3 340.295 2.430 10 5 EEBEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000121078916 292260704 /nfs/dbraw/zinc/26/07/04/292260704.db2.gz RSORSORCJWITQA-AWEZNQCLSA-N -1 3 348.396 2.199 10 5 EEBEHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000352515182 162167708 /nfs/dbraw/zinc/16/77/08/162167708.db2.gz FJVHQTJNBMXXIS-UHFFFAOYSA-N -1 3 330.344 2.204 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000157011320 292562982 /nfs/dbraw/zinc/56/29/82/292562982.db2.gz IISYWWUNDJGZSE-UHFFFAOYSA-N -1 3 332.707 2.247 10 5 EEBEHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032068787 463363771 /nfs/dbraw/zinc/36/37/71/463363771.db2.gz LLVSADSOAVWLOF-SNVBAGLBSA-N -1 3 349.840 2.257 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000185201438 463775907 /nfs/dbraw/zinc/77/59/07/463775907.db2.gz FUSREHAZDBZCNE-SNVBAGLBSA-N -1 3 346.380 2.136 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000185723098 463868702 /nfs/dbraw/zinc/86/87/02/463868702.db2.gz SZWBZVRRMYBYPU-LLVKDONJSA-N -1 3 346.380 2.280 10 5 EEBEHM Cc1ccnc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC000347997767 465360416 /nfs/dbraw/zinc/36/04/16/465360416.db2.gz UPHCUSIVNSLDHO-UHFFFAOYSA-N -1 3 330.300 2.107 10 5 EEBEHM COc1cccc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])nc21 ZINC000344626877 465731829 /nfs/dbraw/zinc/73/18/29/465731829.db2.gz XJPWWICHYJEMIU-UHFFFAOYSA-N -1 3 333.329 2.199 10 5 EEBEHM NC(=O)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411975787 466954197 /nfs/dbraw/zinc/95/41/97/466954197.db2.gz YYLYTQJEGLUPTC-JKSUJKDBSA-N -1 3 341.367 2.001 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000592108705 468626995 /nfs/dbraw/zinc/62/69/95/468626995.db2.gz TULBJYSPVPIMGE-OPRDCNLKSA-N -1 3 344.364 2.209 10 5 EEBEHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000594817011 468695599 /nfs/dbraw/zinc/69/55/99/468695599.db2.gz KHNVTHMUVXEKSM-SNVBAGLBSA-N -1 3 344.389 2.096 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000595376026 468830787 /nfs/dbraw/zinc/83/07/87/468830787.db2.gz HRTVFIMKCHALJT-UHFFFAOYSA-N -1 3 340.357 2.108 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC2(C)CCOCC2)c([N+](=O)[O-])s1 ZINC000601367612 468844077 /nfs/dbraw/zinc/84/40/77/468844077.db2.gz UPRBVWSAVSQHAY-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601440217 468874404 /nfs/dbraw/zinc/87/44/04/468874404.db2.gz SOESXYAJLNEQMF-RNCFNFMXSA-N -1 3 348.446 2.447 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000601480903 468891203 /nfs/dbraw/zinc/89/12/03/468891203.db2.gz PKFBHTASGXFJOW-LBPRGKRZSA-N -1 3 344.364 2.354 10 5 EEBEHM O=C([O-])[C@]12CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]1COCC2 ZINC000901952571 1236703885 /nfs/dbraw/zinc/70/38/85/1236703885.db2.gz VDTWNGRNLZSZMG-XHDPSFHLSA-N -1 3 340.763 2.171 10 5 EEBEHM C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157233777 1318507505 /nfs/dbraw/zinc/50/75/05/1318507505.db2.gz KWNGKJZFOGVNDO-RXMQYKEDSA-N -1 3 347.228 2.362 10 5 EEBEHM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001624725793 1352428808 /nfs/dbraw/zinc/42/88/08/1352428808.db2.gz OVLGNRATYWGCOU-UHFFFAOYSA-N -1 3 346.368 2.405 10 5 EEBEHM C[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1cccc([N+](=O)[O-])c1 ZINC001624725300 1352428891 /nfs/dbraw/zinc/42/88/91/1352428891.db2.gz BZQVKNZTWMHYDL-JTQLQIEISA-N -1 3 328.328 2.173 10 5 EEBEHM COc1nnc([N-]C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)s1 ZINC001648311193 1353423759 /nfs/dbraw/zinc/42/37/59/1353423759.db2.gz JJCMOKCZDPTNCO-UHFFFAOYSA-N -1 3 347.715 2.082 10 5 EEBEHM Cc1cc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)c(=O)n(C)c1 ZINC001445542217 1091308880 /nfs/dbraw/zinc/30/88/80/1091308880.db2.gz LLVALURFXXQCOV-UHFFFAOYSA-N -1 3 337.282 2.441 10 5 EEBEHM COC(=O)c1[n-]cnc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001460014633 1110252847 /nfs/dbraw/zinc/25/28/47/1110252847.db2.gz FHSKCELZUTXMIM-UHFFFAOYSA-N -1 3 336.329 2.079 10 5 EEBEHM COC(=O)c1nc[n-]c1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001460014633 1110252850 /nfs/dbraw/zinc/25/28/50/1110252850.db2.gz FHSKCELZUTXMIM-UHFFFAOYSA-N -1 3 336.329 2.079 10 5 EEBEHM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC001465473474 1110418362 /nfs/dbraw/zinc/41/83/62/1110418362.db2.gz IPTQFBBOURZYCC-QMMMGPOBSA-N -1 3 333.275 2.262 10 5 EEBEHM CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472887731 1110565255 /nfs/dbraw/zinc/56/52/55/1110565255.db2.gz MHWQPGOMCZPJDT-ZCFIWIBFSA-N -1 3 333.274 2.430 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2nccs2)c(F)c1 ZINC000290084470 275178226 /nfs/dbraw/zinc/17/82/26/275178226.db2.gz HGEDEANNIDHXGL-UHFFFAOYSA-N -1 3 345.377 2.102 10 5 EEBEHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c([O-])cccc1O ZINC000580659311 324106168 /nfs/dbraw/zinc/10/61/68/324106168.db2.gz MBEVAGZZARHJCR-UHFFFAOYSA-N -1 3 341.323 2.460 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000083981327 463570112 /nfs/dbraw/zinc/57/01/12/463570112.db2.gz RDJOCUKODPAAKB-BXKDBHETSA-N -1 3 348.808 2.402 10 5 EEBEHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000185262041 463789048 /nfs/dbraw/zinc/78/90/48/463789048.db2.gz FBAMMTZTELBKCN-FSIBCCDJSA-N -1 3 348.808 2.162 10 5 EEBEHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(OC)[n-]1 ZINC000357493537 466079342 /nfs/dbraw/zinc/07/93/42/466079342.db2.gz GDPXOKYHCKDGBQ-UHFFFAOYSA-N -1 3 337.361 2.476 10 5 EEBEHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(OC)n1 ZINC000357493537 466079348 /nfs/dbraw/zinc/07/93/48/466079348.db2.gz GDPXOKYHCKDGBQ-UHFFFAOYSA-N -1 3 337.361 2.476 10 5 EEBEHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(OC)n[n-]1 ZINC000357493537 466079353 /nfs/dbraw/zinc/07/93/53/466079353.db2.gz GDPXOKYHCKDGBQ-UHFFFAOYSA-N -1 3 337.361 2.476 10 5 EEBEHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1csc(=O)[n-]1 ZINC000559146494 468730215 /nfs/dbraw/zinc/73/02/15/468730215.db2.gz MUHNRAJHUBMNDZ-UHFFFAOYSA-N -1 3 332.341 2.211 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601388506 468853728 /nfs/dbraw/zinc/85/37/28/468853728.db2.gz VCVLOKJWDIDIAU-NXEZZACHSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593627504 469066689 /nfs/dbraw/zinc/06/66/89/469066689.db2.gz UUCJDWZBQUIQPK-UONOGXRCSA-N -1 3 333.369 2.133 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c1 ZINC000811725141 1200267302 /nfs/dbraw/zinc/26/73/02/1200267302.db2.gz JSLGKTNVBHNJLN-UHFFFAOYSA-N -1 3 343.748 2.458 10 5 EEBEHM CCOc1nc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n[n-]1 ZINC001152343534 1316659105 /nfs/dbraw/zinc/65/91/05/1316659105.db2.gz WZIUNLVYDJYFTC-UHFFFAOYSA-N -1 3 325.712 2.326 10 5 EEBEHM CCOc1n[n-]c(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 ZINC001152343534 1316659107 /nfs/dbraw/zinc/65/91/07/1316659107.db2.gz WZIUNLVYDJYFTC-UHFFFAOYSA-N -1 3 325.712 2.326 10 5 EEBEHM Cc1cc(F)ccc1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001263220724 1322444782 /nfs/dbraw/zinc/44/47/82/1322444782.db2.gz PPQREEMXLSZOSY-UHFFFAOYSA-N -1 3 348.334 2.009 10 5 EEBEHM C[C@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000848592171 1338726248 /nfs/dbraw/zinc/72/62/48/1338726248.db2.gz RAXDUUGSYKYDAA-VIFPVBQESA-N -1 3 340.286 2.177 10 5 EEBEHM CC(C)[C@H](CO)O[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001569509308 1342889486 /nfs/dbraw/zinc/88/94/86/1342889486.db2.gz OGDQBXSIFDKPLD-ZDUSSCGKSA-N -1 3 330.768 2.246 10 5 EEBEHM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001472818235 1110563898 /nfs/dbraw/zinc/56/38/98/1110563898.db2.gz ZRSKIQHNAJXGNK-NXEZZACHSA-N -1 3 331.332 2.166 10 5 EEBEHM COC(=O)c1nsc([N-]C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC001521211305 1119223389 /nfs/dbraw/zinc/22/33/89/1119223389.db2.gz CRSQZWGLVVRFND-UHFFFAOYSA-N -1 3 336.329 2.102 10 5 EEBEHM Cc1ccc(Nc2[n-]cnc(=NN3CCN(C)CC3)c2[N+](=O)[O-])cc1 ZINC000040623561 213358910 /nfs/dbraw/zinc/35/89/10/213358910.db2.gz CMRSIIIDTPKBET-UHFFFAOYSA-N -1 3 343.391 2.011 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CSC2(C)C)c1[N+](=O)[O-] ZINC000338431270 160759900 /nfs/dbraw/zinc/75/99/00/160759900.db2.gz HDVLYKYGYTUMAF-SNVBAGLBSA-N -1 3 330.431 2.384 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CN1CCCC1 ZINC000360040975 164222477 /nfs/dbraw/zinc/22/24/77/164222477.db2.gz VRCBZPCJHSYTQF-UHFFFAOYSA-N -1 3 347.462 2.057 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000416560658 313258126 /nfs/dbraw/zinc/25/81/26/313258126.db2.gz QYDRFNYOSXYTOM-ADEWGFFLSA-N -1 3 326.374 2.070 10 5 EEBEHM O=c1[n-]nc(C2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)o1 ZINC000578885398 468275030 /nfs/dbraw/zinc/27/50/30/468275030.db2.gz XDKSCGMELXFIPN-UHFFFAOYSA-N -1 3 345.359 2.341 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594475863 468599292 /nfs/dbraw/zinc/59/92/92/468599292.db2.gz YEYAMBJMWGLGFC-HIFRSBDPSA-N -1 3 340.401 2.221 10 5 EEBEHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601387258 468852863 /nfs/dbraw/zinc/85/28/63/468852863.db2.gz RKTCPSDFWTWYSN-UWVGGRQHSA-N -1 3 334.419 2.058 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC000593544954 469027419 /nfs/dbraw/zinc/02/74/19/469027419.db2.gz CSWDYBMCWNPRGP-UHFFFAOYSA-N -1 3 341.414 2.307 10 5 EEBEHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593558378 469033804 /nfs/dbraw/zinc/03/38/04/469033804.db2.gz WNCYNACZXISUFM-JTQLQIEISA-N -1 3 339.373 2.191 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2(CO)CCC2)c1C ZINC000593664400 469083779 /nfs/dbraw/zinc/08/37/79/469083779.db2.gz MCJORHAHJZBDQM-UHFFFAOYSA-N -1 3 342.417 2.043 10 5 EEBEHM C[C@@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000768846637 577563912 /nfs/dbraw/zinc/56/39/12/577563912.db2.gz MCFGZLJRKNJZDX-VIFPVBQESA-N -1 3 327.387 2.133 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000066001232 681278387 /nfs/dbraw/zinc/27/83/87/681278387.db2.gz IKRAKRQSJHFVLN-UHFFFAOYSA-N -1 3 343.342 2.043 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001327909419 1334362754 /nfs/dbraw/zinc/36/27/54/1334362754.db2.gz XRUBOEBZEOZQGA-UHFFFAOYSA-N -1 3 348.327 2.070 10 5 EEBEHM Nc1c(C(=O)Nc2ncccc2[O-])cc(Cl)c(F)c1[N+](=O)[O-] ZINC001611474352 1352301428 /nfs/dbraw/zinc/30/14/28/1352301428.db2.gz ZAJUCJAYAAJMHR-UHFFFAOYSA-N -1 3 326.671 2.322 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001631792172 1352589391 /nfs/dbraw/zinc/58/93/91/1352589391.db2.gz VEQOEXWNONXQON-TWGQIWQCSA-N -1 3 342.355 2.464 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000921617387 789862642 /nfs/dbraw/zinc/86/26/42/789862642.db2.gz MUILHGZXOVENJN-CAHLUQPWSA-N -1 3 330.309 2.133 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Br)c2F)n1 ZINC001528777788 1121166346 /nfs/dbraw/zinc/16/63/46/1121166346.db2.gz QLVJUXDFURVORM-UHFFFAOYSA-N -1 3 343.112 2.482 10 5 EEBEHM CNc1nccc(C(=O)[N-]c2cc(C(=O)OC)ccc2F)c1[N+](=O)[O-] ZINC001538911587 1124039361 /nfs/dbraw/zinc/03/93/61/1124039361.db2.gz NTDZQQLMROCTLZ-UHFFFAOYSA-N -1 3 348.290 2.210 10 5 EEBEHM COC(=O)c1cncc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000342508867 161070648 /nfs/dbraw/zinc/07/06/48/161070648.db2.gz LXVYEAZSHSRUDT-UHFFFAOYSA-N -1 3 333.300 2.103 10 5 EEBEHM COc1cc(CCNC(=O)c2cccc([O-])c2)c([N+](=O)[O-])cc1OC ZINC000355387756 163172799 /nfs/dbraw/zinc/17/27/99/163172799.db2.gz AKCLRKPPIJQZFV-UHFFFAOYSA-N -1 3 346.339 2.290 10 5 EEBEHM Cc1cccnc1CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000296035348 293876696 /nfs/dbraw/zinc/87/66/96/293876696.db2.gz MSWZWODIYAZZIY-UHFFFAOYSA-N -1 3 349.412 2.436 10 5 EEBEHM COC(=O)Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000140463105 463343076 /nfs/dbraw/zinc/34/30/76/463343076.db2.gz VYADYIZIRKMXKP-UHFFFAOYSA-N -1 3 348.286 2.407 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCOCC2CC2)c1 ZINC000272435599 464606436 /nfs/dbraw/zinc/60/64/36/464606436.db2.gz HLYAUPGVCMBENX-UHFFFAOYSA-N -1 3 348.808 2.262 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@]1(C)CCCS1 ZINC000268173216 464956401 /nfs/dbraw/zinc/95/64/01/464956401.db2.gz JKZBCJFWHYWBED-ZDUSSCGKSA-N -1 3 346.430 2.167 10 5 EEBEHM Cc1c(Br)c(NCc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC000359894810 465503184 /nfs/dbraw/zinc/50/31/84/465503184.db2.gz DCKJQAIJVWZUOE-UHFFFAOYSA-N -1 3 339.149 2.773 10 5 EEBEHM Cc1cn(C2CCCCC2)nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445165184 467583904 /nfs/dbraw/zinc/58/39/04/467583904.db2.gz YVEPLZXDNVRHSW-UHFFFAOYSA-N -1 3 345.359 2.958 10 5 EEBEHM C[C@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000582796345 468598174 /nfs/dbraw/zinc/59/81/74/468598174.db2.gz DEOUEBOWULNKCR-LLVKDONJSA-N -1 3 347.462 2.055 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594475864 468599679 /nfs/dbraw/zinc/59/96/79/468599679.db2.gz YEYAMBJMWGLGFC-UKRRQHHQSA-N -1 3 340.401 2.221 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)nc1 ZINC000594884267 468715764 /nfs/dbraw/zinc/71/57/64/468715764.db2.gz LMYLRSLSYDVZKP-UHFFFAOYSA-N -1 3 347.343 2.236 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])s1 ZINC000601439823 468874815 /nfs/dbraw/zinc/87/48/15/468874815.db2.gz MWXKFRPMQCEBLI-JEZHCXPESA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000601470215 468887543 /nfs/dbraw/zinc/88/75/43/468887543.db2.gz QPXGZYQPOOSCBZ-JTQLQIEISA-N -1 3 346.380 2.136 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC12CC2 ZINC000601482326 468891531 /nfs/dbraw/zinc/89/15/31/468891531.db2.gz RXAIWAXSMPNNGD-ZDUSSCGKSA-N -1 3 326.374 2.214 10 5 EEBEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000585741123 469022997 /nfs/dbraw/zinc/02/29/97/469022997.db2.gz FNEJFDDGCKAZJX-LHLIQPBNSA-N -1 3 335.179 2.044 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2(CO)CCC2)cc1C ZINC000593664151 469083803 /nfs/dbraw/zinc/08/38/03/469083803.db2.gz GRRLORUFTFJNPC-UHFFFAOYSA-N -1 3 342.417 2.043 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599485313 469273670 /nfs/dbraw/zinc/27/36/70/469273670.db2.gz SCGWMSKJBDBQEX-ZYHUDNBSSA-N -1 3 346.792 2.094 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC12CC2 ZINC000599519478 469283310 /nfs/dbraw/zinc/28/33/10/469283310.db2.gz CBCVDJXFKXKRLT-NSHDSACASA-N -1 3 340.401 2.462 10 5 EEBEHM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193884 1338171534 /nfs/dbraw/zinc/17/15/34/1338171534.db2.gz MNVQWARMDGLBHV-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM Cc1nc(N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001612539659 1352308820 /nfs/dbraw/zinc/30/88/20/1352308820.db2.gz WCLRXZNTKUZZCF-VHSXEESVSA-N -1 3 345.359 2.474 10 5 EEBEHM NC(=O)c1c(F)cc(Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001616306962 1352327933 /nfs/dbraw/zinc/32/79/33/1352327933.db2.gz YGQOSNUDORPAAY-UHFFFAOYSA-N -1 3 327.655 2.332 10 5 EEBEHM COC(=O)[C@H](C)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001557008397 1342439692 /nfs/dbraw/zinc/43/96/92/1342439692.db2.gz YVMDKWWERFDDBC-SECBINFHSA-N -1 3 345.311 2.224 10 5 EEBEHM COc1ccc(Br)cc1OC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC001167840572 777200640 /nfs/dbraw/zinc/20/06/40/777200640.db2.gz RAEFUQBBTDJANJ-UHFFFAOYSA-N -1 3 342.105 2.308 10 5 EEBEHM O=C(Nc1ccc(-c2csnn2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001442079614 1096295789 /nfs/dbraw/zinc/29/57/89/1096295789.db2.gz LDLMLDLSJPHYST-UHFFFAOYSA-N -1 3 343.324 2.466 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000032436144 158891580 /nfs/dbraw/zinc/89/15/80/158891580.db2.gz CLHZOVUPLZDTAW-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000107704272 159334608 /nfs/dbraw/zinc/33/46/08/159334608.db2.gz IJRJALRHIFZMFA-UHFFFAOYSA-N -1 3 341.414 2.401 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(CC(=O)NC3CCCC3)c2)n1 ZINC000360665748 164360353 /nfs/dbraw/zinc/36/03/53/164360353.db2.gz YTPIGDRXLMCHMU-UHFFFAOYSA-N -1 3 344.375 2.297 10 5 EEBEHM Cc1ccc([O-])c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000160429189 274754634 /nfs/dbraw/zinc/75/46/34/274754634.db2.gz QGJZSGANDIOYKY-UHFFFAOYSA-N -1 3 328.372 2.326 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ncccc1[O-] ZINC000439883250 315100873 /nfs/dbraw/zinc/10/08/73/315100873.db2.gz SNDZGKJHOZPFMI-UHFFFAOYSA-N -1 3 332.316 2.416 10 5 EEBEHM COC(=O)Cn1ncc([N-]c2nc3c(cc2[N+](=O)[O-])CCCC3)c1C ZINC000582901784 324554244 /nfs/dbraw/zinc/55/42/44/324554244.db2.gz XLXNHDOLJHAIQP-UHFFFAOYSA-N -1 3 345.359 2.290 10 5 EEBEHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccs1 ZINC000116376779 462757191 /nfs/dbraw/zinc/75/71/91/462757191.db2.gz LBPVJOUEKJBGPZ-UHFFFAOYSA-N -1 3 333.416 2.326 10 5 EEBEHM Cc1[nH]nc(C(=O)[N-]c2ncccc2Br)c1[N+](=O)[O-] ZINC000078997882 463177343 /nfs/dbraw/zinc/17/73/43/463177343.db2.gz JGRTYRRNAWBTPG-UHFFFAOYSA-N -1 3 326.110 2.036 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000338021866 465756279 /nfs/dbraw/zinc/75/62/79/465756279.db2.gz IZMBXFHKHSJGEI-LLVKDONJSA-N -1 3 348.446 2.184 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594489350 468606946 /nfs/dbraw/zinc/60/69/46/468606946.db2.gz ZKSUPUPAGAVMEU-QWHCGFSZSA-N -1 3 346.380 2.360 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601388984 468853664 /nfs/dbraw/zinc/85/36/64/468853664.db2.gz BIHOEUVGXRYIFQ-YPMHNXCESA-N -1 3 346.430 2.201 10 5 EEBEHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC000601425041 468868141 /nfs/dbraw/zinc/86/81/41/468868141.db2.gz LCOXCGCRYZCHNP-WCBMZHEXSA-N -1 3 336.435 2.304 10 5 EEBEHM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1c([N+](=O)[O-])cnn1C ZINC000593133185 468882394 /nfs/dbraw/zinc/88/23/94/468882394.db2.gz PLAJTZLHUQNMLN-UHFFFAOYSA-N -1 3 337.336 2.192 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC000601500851 468896203 /nfs/dbraw/zinc/89/62/03/468896203.db2.gz CVCNZCOQZKUWCH-QMTHXVAHSA-N -1 3 326.374 2.214 10 5 EEBEHM C[C@H]1[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000596221139 469210451 /nfs/dbraw/zinc/21/04/51/469210451.db2.gz VXSWVHWSUFKMSO-SMDDNHRTSA-N -1 3 342.355 2.297 10 5 EEBEHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)F ZINC000619503038 469628068 /nfs/dbraw/zinc/62/80/68/469628068.db2.gz ANLOJZKAHDPKCB-UHFFFAOYSA-N -1 3 345.327 2.465 10 5 EEBEHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000609571740 469941175 /nfs/dbraw/zinc/94/11/75/469941175.db2.gz TWCSXSWBBVBWKM-SECBINFHSA-N -1 3 344.418 2.473 10 5 EEBEHM CCc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1[N+](=O)[O-] ZINC001132783786 1200024308 /nfs/dbraw/zinc/02/43/08/1200024308.db2.gz VNOMEZQCRKIPMX-UHFFFAOYSA-N -1 3 328.328 2.246 10 5 EEBEHM COC(=O)/C=C\c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000795208624 1212083544 /nfs/dbraw/zinc/08/35/44/1212083544.db2.gz FPJGAULGMXUAFH-ALCCZGGFSA-N -1 3 329.312 2.494 10 5 EEBEHM O=C([O-])[C@]12CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1COCC2 ZINC000901950275 1236698153 /nfs/dbraw/zinc/69/81/53/1236698153.db2.gz TZYMYTYULISYHQ-XHDPSFHLSA-N -1 3 340.763 2.171 10 5 EEBEHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853653201 1292431625 /nfs/dbraw/zinc/43/16/25/1292431625.db2.gz AVPUZOWYQRTVRL-RKDXNWHRSA-N -1 3 326.353 2.409 10 5 EEBEHM O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001149788488 1316048070 /nfs/dbraw/zinc/04/80/70/1316048070.db2.gz BHPVUNYZAPIVEA-UHFFFAOYSA-N -1 3 342.355 2.217 10 5 EEBEHM C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001612539205 1352308911 /nfs/dbraw/zinc/30/89/11/1352308911.db2.gz QMZKLUJITKBMRD-YUMQZZPRSA-N -1 3 337.361 2.227 10 5 EEBEHM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001655615002 1354180005 /nfs/dbraw/zinc/18/00/05/1354180005.db2.gz SADRJFULKQMPCG-NXEZZACHSA-N -1 3 331.332 2.166 10 5 EEBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452725712 1105663123 /nfs/dbraw/zinc/66/31/23/1105663123.db2.gz JRWREANMCPNDQT-SNVBAGLBSA-N -1 3 346.343 2.052 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000186370790 235890050 /nfs/dbraw/zinc/89/00/50/235890050.db2.gz QKPVBSYPXAAZBK-UHFFFAOYSA-N -1 3 348.380 2.049 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-]CC2(C)CCC2)cc1[N+](=O)[O-] ZINC000187368486 236191883 /nfs/dbraw/zinc/19/18/83/236191883.db2.gz KMDZAYXPJQHHKF-UHFFFAOYSA-N -1 3 332.353 2.211 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451609761 243175012 /nfs/dbraw/zinc/17/50/12/243175012.db2.gz QWXBXFQCUGVBHD-UHFFFAOYSA-N -1 3 328.390 2.080 10 5 EEBEHM COc1cc(CNC[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000263004454 152354884 /nfs/dbraw/zinc/35/48/84/152354884.db2.gz ACDHVJCATMOVTP-LBPRGKRZSA-N -1 3 340.376 2.449 10 5 EEBEHM CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000159207988 463274726 /nfs/dbraw/zinc/27/47/26/463274726.db2.gz GQOLXGPHOJWMCM-HNNXBMFYSA-N -1 3 329.356 2.333 10 5 EEBEHM CN(C)CCN(Cc1ccco1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281080528 464325355 /nfs/dbraw/zinc/32/53/55/464325355.db2.gz FZBOXZMBAKIZTC-UHFFFAOYSA-N -1 3 333.344 2.097 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc([O-])c1 ZINC000322879437 466635040 /nfs/dbraw/zinc/63/50/40/466635040.db2.gz UIXLFSFUPFJFKH-UHFFFAOYSA-N -1 3 338.341 2.134 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)cc1C ZINC000323453270 466638926 /nfs/dbraw/zinc/63/89/26/466638926.db2.gz ABDILSWPOQLHKE-QWHCGFSZSA-N -1 3 342.417 2.041 10 5 EEBEHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000451820978 467268791 /nfs/dbraw/zinc/26/87/91/467268791.db2.gz ZWNGSSSGAVLGJZ-TZMCWYRMSA-N -1 3 342.417 2.324 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592107846 468626946 /nfs/dbraw/zinc/62/69/46/468626946.db2.gz IGKVGPWKLRACGL-GARJFASQSA-N -1 3 326.374 2.070 10 5 EEBEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852214 468705442 /nfs/dbraw/zinc/70/54/42/468705442.db2.gz OLVWWXWKQBASHQ-KOLCDFICSA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCCC2CCOCC2)c([N+](=O)[O-])s1 ZINC000601423864 468868134 /nfs/dbraw/zinc/86/81/34/468868134.db2.gz OUPBHUQGWRSZCV-UHFFFAOYSA-N -1 3 348.446 2.450 10 5 EEBEHM O=C([C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)N1CCCCC1 ZINC000596226276 469212456 /nfs/dbraw/zinc/21/24/56/469212456.db2.gz REEMXCDGSCHTOW-NEPJUHHUSA-N -1 3 334.376 2.289 10 5 EEBEHM CC(=O)Nc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c(F)cc1F ZINC000762072181 577694509 /nfs/dbraw/zinc/69/45/09/577694509.db2.gz CWAJLKBDESCUOJ-UHFFFAOYSA-N -1 3 336.254 2.479 10 5 EEBEHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141302128 1315082795 /nfs/dbraw/zinc/08/27/95/1315082795.db2.gz PZLPRQJAWLLRNJ-UHFFFAOYSA-N -1 3 330.275 2.497 10 5 EEBEHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2CCC2)c1 ZINC000841527726 1315572109 /nfs/dbraw/zinc/57/21/09/1315572109.db2.gz VRDUXCYUYPIIMR-UHFFFAOYSA-N -1 3 335.179 2.188 10 5 EEBEHM O=C(COc1ccccc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159056157 1319582356 /nfs/dbraw/zinc/58/23/56/1319582356.db2.gz MOKZKUGMPOIEFI-UHFFFAOYSA-N -1 3 328.284 2.194 10 5 EEBEHM CCc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001640595933 1352712222 /nfs/dbraw/zinc/71/22/22/1352712222.db2.gz ZJBXOJVPOIIHJS-GFCCVEGCSA-N -1 3 330.344 2.216 10 5 EEBEHM O=C(N[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)c1ccccc1 ZINC001655176890 1354167107 /nfs/dbraw/zinc/16/71/07/1354167107.db2.gz OJKHZDHHXBAKJQ-ZDUSSCGKSA-N -1 3 342.355 2.094 10 5 EEBEHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCc2c(=O)[n-]cnc21 ZINC001438690204 1091191484 /nfs/dbraw/zinc/19/14/84/1091191484.db2.gz VVVMJCLEHBBACO-UHFFFAOYSA-N -1 3 334.719 2.337 10 5 EEBEHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001452187299 1098287467 /nfs/dbraw/zinc/28/74/67/1098287467.db2.gz WQDJVQKYSCHLSX-UHFFFAOYSA-N -1 3 330.279 2.299 10 5 EEBEHM CO[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000050373781 214054470 /nfs/dbraw/zinc/05/44/70/214054470.db2.gz KIPMRXKLCHMXNY-JQWIXIFHSA-N -1 3 334.781 2.094 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCSC ZINC000346587406 161384038 /nfs/dbraw/zinc/38/40/38/161384038.db2.gz SXEKHFCBRMEMBC-UHFFFAOYSA-N -1 3 334.419 2.025 10 5 EEBEHM O=C(Nc1ncc(-c2cccnc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000359350752 164118645 /nfs/dbraw/zinc/11/86/45/164118645.db2.gz NKECNXJOQGPQFP-UHFFFAOYSA-N -1 3 343.324 2.466 10 5 EEBEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000443958071 315266306 /nfs/dbraw/zinc/26/63/06/315266306.db2.gz KJNJHEDEGDHTCK-CQSZACIVSA-N -1 3 343.383 2.203 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000057708627 463512266 /nfs/dbraw/zinc/51/22/66/463512266.db2.gz QHJXWNBAPMWHFD-AWEZNQCLSA-N -1 3 332.381 2.431 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000167593632 463663529 /nfs/dbraw/zinc/66/35/29/463663529.db2.gz HWHZDFCCKOCRMZ-WCQYABFASA-N -1 3 348.380 2.438 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000198520276 464091264 /nfs/dbraw/zinc/09/12/64/464091264.db2.gz WUVAJPWPNVASHC-UHFFFAOYSA-N -1 3 336.369 2.124 10 5 EEBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(CCN2CCOCC2)CC1 ZINC000338941368 466508438 /nfs/dbraw/zinc/50/84/38/466508438.db2.gz FXLWXRASGONMDT-UHFFFAOYSA-N -1 3 349.431 2.235 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)cc1C ZINC000323453268 466638981 /nfs/dbraw/zinc/63/89/81/466638981.db2.gz ABDILSWPOQLHKE-OLZOCXBDSA-N -1 3 342.417 2.041 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000533053095 468165388 /nfs/dbraw/zinc/16/53/88/468165388.db2.gz HOUSNDSMVHPFOA-UHFFFAOYSA-N -1 3 346.343 2.293 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000533053095 468165394 /nfs/dbraw/zinc/16/53/94/468165394.db2.gz HOUSNDSMVHPFOA-UHFFFAOYSA-N -1 3 346.343 2.293 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601387880 468853980 /nfs/dbraw/zinc/85/39/80/468853980.db2.gz IGLPVHJCBOHALQ-JTQLQIEISA-N -1 3 334.419 2.202 10 5 EEBEHM CCc1cnc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)s1 ZINC000596138622 469171669 /nfs/dbraw/zinc/17/16/69/469171669.db2.gz ZOWJGQZWDUQRKQ-UHFFFAOYSA-N -1 3 335.389 2.041 10 5 EEBEHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000867684738 1201659004 /nfs/dbraw/zinc/65/90/04/1201659004.db2.gz VKJVKQXNFCKBFT-CYBMUJFWSA-N -1 3 346.380 2.360 10 5 EEBEHM CC(C)(C)OC(=O)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001643159753 1352741121 /nfs/dbraw/zinc/74/11/21/1352741121.db2.gz HLPWMCCYIFACGF-NWDGAFQWSA-N -1 3 349.387 2.500 10 5 EEBEHM CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655887353 1354188846 /nfs/dbraw/zinc/18/88/46/1354188846.db2.gz IGVLGDLLAJZHMM-SNVBAGLBSA-N -1 3 338.364 2.141 10 5 EEBEHM O=c1cc(N2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)nc[n-]1 ZINC001655927278 1354190294 /nfs/dbraw/zinc/19/02/94/1354190294.db2.gz RDWRFQGPJVYNBI-SNVBAGLBSA-N -1 3 335.751 2.435 10 5 EEBEHM O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCCc2c(=O)[n-]cnc21 ZINC001438691592 1091195127 /nfs/dbraw/zinc/19/51/27/1091195127.db2.gz ZCIZCGQKTQISAG-KBPBESRZSA-N -1 3 340.339 2.173 10 5 EEBEHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(-c2cccnc2)nn1 ZINC001524347087 1120069779 /nfs/dbraw/zinc/06/97/79/1120069779.db2.gz GLIBACVWDHBHGV-UHFFFAOYSA-N -1 3 342.290 2.270 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cn3ccnc3s2)cc([N+](=O)[O-])c1 ZINC000188678358 274031440 /nfs/dbraw/zinc/03/14/40/274031440.db2.gz DOPJOEXRCSBHHV-UHFFFAOYSA-N -1 3 346.324 2.343 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525351285 317057295 /nfs/dbraw/zinc/05/72/95/317057295.db2.gz VIJOZERYZIOUTN-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000525351285 317057299 /nfs/dbraw/zinc/05/72/99/317057299.db2.gz VIJOZERYZIOUTN-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000574914337 320070666 /nfs/dbraw/zinc/07/06/66/320070666.db2.gz KAAONMYJSCTGSG-UHFFFAOYSA-N -1 3 342.417 2.307 10 5 EEBEHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000295389554 464813774 /nfs/dbraw/zinc/81/37/74/464813774.db2.gz FYKMLMYWXBUOJO-ZJUUUORDSA-N -1 3 338.257 2.207 10 5 EEBEHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c(C)o1 ZINC000353076452 465619112 /nfs/dbraw/zinc/61/91/12/465619112.db2.gz KYLYTZSOCKERPA-UHFFFAOYSA-N -1 3 342.315 2.491 10 5 EEBEHM Cc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])cnc3C)[n-]2)o1 ZINC000353478458 465916983 /nfs/dbraw/zinc/91/69/83/465916983.db2.gz UEOWPMDLJQAWDT-UHFFFAOYSA-N -1 3 328.288 2.237 10 5 EEBEHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc([N+](=O)[O-])cnc3C)n2)o1 ZINC000353478458 465916991 /nfs/dbraw/zinc/91/69/91/465916991.db2.gz UEOWPMDLJQAWDT-UHFFFAOYSA-N -1 3 328.288 2.237 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c([N+](=O)[O-])s1 ZINC000601371728 468845846 /nfs/dbraw/zinc/84/58/46/468845846.db2.gz PJSGJQFWQVLBFL-AXFHLTTASA-N -1 3 346.430 2.201 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC1CCC1 ZINC000601512543 468902114 /nfs/dbraw/zinc/90/21/14/468902114.db2.gz RNUXWUQUNAYXBU-SNVBAGLBSA-N -1 3 328.390 2.460 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc2c1CCOC2 ZINC000601513992 468902583 /nfs/dbraw/zinc/90/25/83/468902583.db2.gz IHHMAKMKQYXSOV-UHFFFAOYSA-N -1 3 348.380 2.146 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)nc1 ZINC000593551812 469031262 /nfs/dbraw/zinc/03/12/62/469031262.db2.gz FMNNQQVKHUHNSK-OLZOCXBDSA-N -1 3 325.390 2.237 10 5 EEBEHM COc1ccccc1N1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596163442 469182225 /nfs/dbraw/zinc/18/22/25/469182225.db2.gz UOTNESCJBIOWOV-LLVKDONJSA-N -1 3 330.344 2.395 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000599372242 469234159 /nfs/dbraw/zinc/23/41/59/469234159.db2.gz UZEYRVFJZNDCIC-GRYCIOLGSA-N -1 3 340.401 2.318 10 5 EEBEHM Cn1cnnc1Sc1ccc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000604542320 469489131 /nfs/dbraw/zinc/48/91/31/469489131.db2.gz MYQYVJJOFSYUHI-UHFFFAOYSA-N -1 3 346.328 2.115 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](O)c2cc(F)ccc21 ZINC000841414519 1187014925 /nfs/dbraw/zinc/01/49/25/1187014925.db2.gz CKHQDUPQIUFWRP-CQSZACIVSA-N -1 3 347.302 2.309 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)N2CCCCC2)c([N+](=O)[O-])s1 ZINC000866568095 1201549393 /nfs/dbraw/zinc/54/93/93/1201549393.db2.gz VPELHEVLPNXHHQ-SNVBAGLBSA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001253227565 1317804337 /nfs/dbraw/zinc/80/43/37/1317804337.db2.gz CCIDUIDTDGPEFJ-UHFFFAOYSA-N -1 3 342.340 2.464 10 5 EEBEHM Cc1nc(N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001612539660 1352308987 /nfs/dbraw/zinc/30/89/87/1352308987.db2.gz WCLRXZNTKUZZCF-ZJUUUORDSA-N -1 3 345.359 2.474 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628244845 1352527240 /nfs/dbraw/zinc/52/72/40/1352527240.db2.gz GNQQXDVPGCAYHR-RYBZSIHZSA-N -1 3 328.328 2.053 10 5 EEBEHM Cc1[nH][n-]c(=O)c1Sc1ccc(Br)cc1[N+](=O)[O-] ZINC001651842745 1354067710 /nfs/dbraw/zinc/06/77/10/1354067710.db2.gz SSQFJRIQGYCLHA-VIFPVBQESA-N -1 3 330.163 2.324 10 5 EEBEHM COC(=O)c1cc(C(=O)[N-]c2nccc3c2cccc3[N+](=O)[O-])no1 ZINC001461448097 1110342852 /nfs/dbraw/zinc/34/28/52/1110342852.db2.gz DYDQQHIZFXRLDW-UHFFFAOYSA-N -1 3 342.267 2.170 10 5 EEBEHM COc1ccc(-c2cc(C(=O)[N-]c3c([N+](=O)[O-])ncn3C)no2)cc1 ZINC001544711399 1124163929 /nfs/dbraw/zinc/16/39/29/1124163929.db2.gz ZPYFCMFNRWGAPQ-UHFFFAOYSA-N -1 3 343.299 2.244 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000264955729 247084179 /nfs/dbraw/zinc/08/41/79/247084179.db2.gz MMQSMPJHQMEXBZ-UHFFFAOYSA-N -1 3 346.430 2.025 10 5 EEBEHM COc1cc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c([N+](=O)[O-])cc1OC ZINC000273570009 256307908 /nfs/dbraw/zinc/30/79/08/256307908.db2.gz ILDARIFMOPUHJZ-UHFFFAOYSA-N -1 3 347.331 2.250 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000159103072 225147270 /nfs/dbraw/zinc/14/72/70/225147270.db2.gz YFRTWHQDSVTDAQ-UHFFFAOYSA-N -1 3 326.374 2.382 10 5 EEBEHM CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000181836481 274008808 /nfs/dbraw/zinc/00/88/08/274008808.db2.gz IYLRNFYGKGSWAI-HNNXBMFYSA-N -1 3 329.356 2.333 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC000416508186 313241787 /nfs/dbraw/zinc/24/17/87/313241787.db2.gz AIEHOALCKGSEAP-OAHLLOKOSA-N -1 3 340.401 2.460 10 5 EEBEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000517748744 316689301 /nfs/dbraw/zinc/68/93/01/316689301.db2.gz QUYARPNNRFWTPA-WPRPVWTQSA-N -1 3 336.435 2.040 10 5 EEBEHM CC(C)([N-]S(=O)(=O)c1cscn1)c1ccccc1[N+](=O)[O-] ZINC000581367232 324238001 /nfs/dbraw/zinc/23/80/01/324238001.db2.gz ODDRREKMFIAZBG-UHFFFAOYSA-N -1 3 327.387 2.265 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1O ZINC000158321246 463226435 /nfs/dbraw/zinc/22/64/35/463226435.db2.gz VCPUVGOMPNCAQS-CABZTGNLSA-N -1 3 348.808 2.078 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000172020985 463970828 /nfs/dbraw/zinc/97/08/28/463970828.db2.gz VOUROKNHODCWGD-UHFFFAOYSA-N -1 3 341.414 2.401 10 5 EEBEHM O=C(c1cccc([O-])c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182466251 464662199 /nfs/dbraw/zinc/66/21/99/464662199.db2.gz IPVCXJPIZAXDQV-GFCCVEGCSA-N -1 3 328.328 2.022 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@]1(C)CCCS1 ZINC000268173212 464956388 /nfs/dbraw/zinc/95/63/88/464956388.db2.gz JKZBCJFWHYWBED-CYBMUJFWSA-N -1 3 346.430 2.167 10 5 EEBEHM O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600228472 468502346 /nfs/dbraw/zinc/50/23/46/468502346.db2.gz BBGGSXPNTIALQC-CQSZACIVSA-N -1 3 333.388 2.437 10 5 EEBEHM CCCn1c(CO)nnc1Sc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC000450383830 467840402 /nfs/dbraw/zinc/84/04/02/467840402.db2.gz AKVCBJLLOITZPE-UHFFFAOYSA-N -1 3 334.361 2.116 10 5 EEBEHM CCCn1c(CO)nnc1Sc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC000450383830 467840403 /nfs/dbraw/zinc/84/04/03/467840403.db2.gz AKVCBJLLOITZPE-UHFFFAOYSA-N -1 3 334.361 2.116 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601385194 468852297 /nfs/dbraw/zinc/85/22/97/468852297.db2.gz KHRJKJHEKWBWDI-WCBMZHEXSA-N -1 3 334.419 2.058 10 5 EEBEHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000610518479 468993058 /nfs/dbraw/zinc/99/30/58/468993058.db2.gz TUSLIRFAEMDRPM-SNVBAGLBSA-N -1 3 339.348 2.211 10 5 EEBEHM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccncc3)c2)n1 ZINC000587802951 469094715 /nfs/dbraw/zinc/09/47/15/469094715.db2.gz KAKKBOHBNBJKMO-UHFFFAOYSA-N -1 3 340.299 2.101 10 5 EEBEHM CCC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)OCC ZINC000599367594 469231065 /nfs/dbraw/zinc/23/10/65/469231065.db2.gz JSCJJJVAKTYLHV-GFCCVEGCSA-N -1 3 346.405 2.087 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000610231113 469990351 /nfs/dbraw/zinc/99/03/51/469990351.db2.gz CCXWDCRCUWQKET-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000610231113 469990355 /nfs/dbraw/zinc/99/03/55/469990355.db2.gz CCXWDCRCUWQKET-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000725986910 576172768 /nfs/dbraw/zinc/17/27/68/576172768.db2.gz DBFANWUJKXFRFA-UHFFFAOYSA-N -1 3 348.336 2.078 10 5 EEBEHM CC(C)n1nnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC001134128196 1199323763 /nfs/dbraw/zinc/32/37/63/1199323763.db2.gz LOYYSJWXKDCKOB-UHFFFAOYSA-N -1 3 344.253 2.433 10 5 EEBEHM CCN1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC001156835954 1318235478 /nfs/dbraw/zinc/23/54/78/1318235478.db2.gz FRZQIICDWNQPHQ-GFCCVEGCSA-N -1 3 341.795 2.414 10 5 EEBEHM O=c1[n-]c(C2CC2)nc2c1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001620551427 1352360299 /nfs/dbraw/zinc/36/02/99/1352360299.db2.gz QAFBIUJQTBMWDO-HNNXBMFYSA-N -1 3 342.355 2.017 10 5 EEBEHM COc1ccc(CNC(=O)c2c([O-])cccc2OC)cc1[N+](=O)[O-] ZINC001596970071 1349915966 /nfs/dbraw/zinc/91/59/66/1349915966.db2.gz GPWHCAJANSOICR-UHFFFAOYSA-N -1 3 332.312 2.248 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[n-]n1 ZINC001624435610 1352421223 /nfs/dbraw/zinc/42/12/23/1352421223.db2.gz AZHHXTWNZQRJCP-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n[n-]1 ZINC001624435610 1352421225 /nfs/dbraw/zinc/42/12/25/1352421225.db2.gz AZHHXTWNZQRJCP-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM C[C@@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1cccc([N+](=O)[O-])c1 ZINC001624725301 1352428671 /nfs/dbraw/zinc/42/86/71/1352428671.db2.gz BZQVKNZTWMHYDL-SNVBAGLBSA-N -1 3 328.328 2.173 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)n1 ZINC001652225591 1354082171 /nfs/dbraw/zinc/08/21/71/1354082171.db2.gz OTGVGPZTHUJQTL-SNVBAGLBSA-N -1 3 348.338 2.014 10 5 EEBEHM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001655615004 1354179801 /nfs/dbraw/zinc/17/98/01/1354179801.db2.gz SADRJFULKQMPCG-VHSXEESVSA-N -1 3 331.332 2.166 10 5 EEBEHM COC(=O)c1[n-]cnc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001521260208 1119232167 /nfs/dbraw/zinc/23/21/67/1119232167.db2.gz KDOQSBICQHHDKQ-UHFFFAOYSA-N -1 3 338.707 2.319 10 5 EEBEHM COC(=O)c1nc[n-]c1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001521260208 1119232169 /nfs/dbraw/zinc/23/21/69/1119232169.db2.gz KDOQSBICQHHDKQ-UHFFFAOYSA-N -1 3 338.707 2.319 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119306518 159376781 /nfs/dbraw/zinc/37/67/81/159376781.db2.gz LFWWQLSXRGWPDP-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119306518 159376783 /nfs/dbraw/zinc/37/67/83/159376783.db2.gz LFWWQLSXRGWPDP-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000185753581 160047188 /nfs/dbraw/zinc/04/71/88/160047188.db2.gz AVXNTBJPZQEZCJ-HNNXBMFYSA-N -1 3 336.369 2.261 10 5 EEBEHM CC(C)OCc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1[O-] ZINC000290586283 275220516 /nfs/dbraw/zinc/22/05/16/275220516.db2.gz LZJWKYALQRIXQV-UHFFFAOYSA-N -1 3 334.332 2.211 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000337186325 465232994 /nfs/dbraw/zinc/23/29/94/465232994.db2.gz OXEOIFNWNPYCBD-LLVKDONJSA-N -1 3 343.405 2.382 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000172166227 464006824 /nfs/dbraw/zinc/00/68/24/464006824.db2.gz IUESLPBOZOGDOE-SNVBAGLBSA-N -1 3 328.390 2.460 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCSCC(C)C ZINC000270177114 464209758 /nfs/dbraw/zinc/20/97/58/464209758.db2.gz DYLZMMUCARPZNR-UHFFFAOYSA-N -1 3 348.446 2.271 10 5 EEBEHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000180193154 464262772 /nfs/dbraw/zinc/26/27/72/464262772.db2.gz YLJUHLJQOHIMGG-SNVBAGLBSA-N -1 3 348.808 2.260 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(F)c2OC)n1 ZINC000427380543 467154333 /nfs/dbraw/zinc/15/43/33/467154333.db2.gz WMKOESYWYMHOIB-UHFFFAOYSA-N -1 3 326.259 2.350 10 5 EEBEHM Cc1cc(C)c([N+](=O)[O-])c(NCCNC(=O)c2ccc([O-])cc2)n1 ZINC000436705598 467551388 /nfs/dbraw/zinc/55/13/88/467551388.db2.gz RXTHGBANXZUBIU-UHFFFAOYSA-N -1 3 330.344 2.154 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000594790003 468686373 /nfs/dbraw/zinc/68/63/73/468686373.db2.gz PDVLZBWUNHHHLS-UHFFFAOYSA-N -1 3 342.417 2.305 10 5 EEBEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594801432 468691765 /nfs/dbraw/zinc/69/17/65/468691765.db2.gz OEPWGNYBMLTONP-GFCCVEGCSA-N -1 3 328.390 2.078 10 5 EEBEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852215 468705481 /nfs/dbraw/zinc/70/54/81/468705481.db2.gz OLVWWXWKQBASHQ-MWLCHTKSSA-N -1 3 348.808 2.484 10 5 EEBEHM CCCCOCCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601284647 468810075 /nfs/dbraw/zinc/81/00/75/468810075.db2.gz LYPYJHCGXOTHNS-UHFFFAOYSA-N -1 3 336.435 2.450 10 5 EEBEHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1(C)C ZINC000601367229 468844100 /nfs/dbraw/zinc/84/41/00/468844100.db2.gz NZXIFTNHBKCYDC-ZJUUUORDSA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601369581 468845472 /nfs/dbraw/zinc/84/54/72/468845472.db2.gz GWXZZOVNVDGDFZ-PSASIEDQSA-N -1 3 334.419 2.058 10 5 EEBEHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCC2 ZINC000601436729 468872564 /nfs/dbraw/zinc/87/25/64/468872564.db2.gz KUFMUGAOVMFWFM-MNOVXSKESA-N -1 3 346.430 2.201 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599485310 469273459 /nfs/dbraw/zinc/27/34/59/469273459.db2.gz SCGWMSKJBDBQEX-CMPLNLGQSA-N -1 3 346.792 2.094 10 5 EEBEHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CC2)c1 ZINC000158123272 678332903 /nfs/dbraw/zinc/33/29/03/678332903.db2.gz DKJSOGLFXYEOCR-UHFFFAOYSA-N -1 3 335.179 2.046 10 5 EEBEHM COc1ccc([C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)cc1 ZINC000866234271 1201472685 /nfs/dbraw/zinc/47/26/85/1201472685.db2.gz KXDBLKZLKNHCPJ-CQSZACIVSA-N -1 3 331.328 2.282 10 5 EEBEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001152085777 1316630176 /nfs/dbraw/zinc/63/01/76/1316630176.db2.gz KLOHELOWUXUIRZ-UHFFFAOYSA-N -1 3 343.339 2.497 10 5 EEBEHM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001616764322 1352332114 /nfs/dbraw/zinc/33/21/14/1352332114.db2.gz CHQAQWIRWPECBW-UHFFFAOYSA-N -1 3 346.368 2.011 10 5 EEBEHM O=c1[n-]c(C2CC2)nc2c1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001620551428 1352360553 /nfs/dbraw/zinc/36/05/53/1352360553.db2.gz QAFBIUJQTBMWDO-OAHLLOKOSA-N -1 3 342.355 2.017 10 5 EEBEHM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001583349744 1344892562 /nfs/dbraw/zinc/89/25/62/1344892562.db2.gz WKCCSYJDCIGEKL-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM Cc1cn(-c2ccccc2)nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001595977125 1349899670 /nfs/dbraw/zinc/89/96/70/1349899670.db2.gz XXHUUIDVZUODNA-UHFFFAOYSA-N -1 3 339.311 2.442 10 5 EEBEHM CN(C)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC001628987303 1352546787 /nfs/dbraw/zinc/54/67/87/1352546787.db2.gz HINWWQKEBFRFCM-UHFFFAOYSA-N -1 3 334.307 2.148 10 5 EEBEHM Cc1cnc(N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001642863125 1352739016 /nfs/dbraw/zinc/73/90/16/1352739016.db2.gz UKUZCCWTIXUVPR-QWRGUYRKSA-N -1 3 345.359 2.474 10 5 EEBEHM Cc1nc2nc(Sc3cc[n-]c(=O)c3[N+](=O)[O-])nn2c(C)c1C ZINC001655004415 1354163130 /nfs/dbraw/zinc/16/31/30/1354163130.db2.gz PAZVWWRNKZAEEV-UHFFFAOYSA-N -1 3 332.345 2.210 10 5 EEBEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000921714578 795589594 /nfs/dbraw/zinc/58/95/94/795589594.db2.gz FFZLFBQIJNBKNK-DTWKUNHWSA-N -1 3 334.394 2.296 10 5 EEBEHM COC(=O)c1ccc(OC)c(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001463164099 1110369148 /nfs/dbraw/zinc/36/91/48/1110369148.db2.gz ADDJJWHKFKZKAF-UHFFFAOYSA-N -1 3 349.274 2.176 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(CF)CCOCC2)c1[N+](=O)[O-] ZINC000451730881 243233123 /nfs/dbraw/zinc/23/31/23/243233123.db2.gz AFQROOTXUMFOJW-UHFFFAOYSA-N -1 3 346.380 2.009 10 5 EEBEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC(C)C ZINC000273566348 256307130 /nfs/dbraw/zinc/30/71/30/256307130.db2.gz NSIKELJAUCBNHL-JTQLQIEISA-N -1 3 344.389 2.094 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1 ZINC000173216040 152152703 /nfs/dbraw/zinc/15/27/03/152152703.db2.gz KYBVUQRTJXFGLB-SNVBAGLBSA-N -1 3 327.387 2.481 10 5 EEBEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160085851 225335655 /nfs/dbraw/zinc/33/56/55/225335655.db2.gz KWZGPYLSHJKQGI-HNNXBMFYSA-N -1 3 343.383 2.203 10 5 EEBEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000129213155 462694806 /nfs/dbraw/zinc/69/48/06/462694806.db2.gz BYMBXVDKSIBZJI-BZPMIXESSA-N -1 3 340.401 2.139 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC000590764394 468332630 /nfs/dbraw/zinc/33/26/30/468332630.db2.gz WVOMNDIQXIDPMK-UHFFFAOYSA-N -1 3 326.374 2.214 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3F)co2)n1 ZINC000366494458 465763866 /nfs/dbraw/zinc/76/38/66/465763866.db2.gz ZBNYDHAHRCKSBY-UHFFFAOYSA-N -1 3 331.263 2.375 10 5 EEBEHM O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600230522 468502438 /nfs/dbraw/zinc/50/24/38/468502438.db2.gz SYPOYLZNVKHLCL-CQSZACIVSA-N -1 3 333.388 2.437 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CNc2ccccc2C1 ZINC000404446053 467475701 /nfs/dbraw/zinc/47/57/01/467475701.db2.gz CKSTXRJSXJIVJU-ZDUSSCGKSA-N -1 3 347.396 2.218 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000530794572 468008663 /nfs/dbraw/zinc/00/86/63/468008663.db2.gz QWQLNRKHLWLDBQ-UHFFFAOYSA-N -1 3 346.343 2.374 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000530794572 468008666 /nfs/dbraw/zinc/00/86/66/468008666.db2.gz QWQLNRKHLWLDBQ-UHFFFAOYSA-N -1 3 346.343 2.374 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000592067438 468610870 /nfs/dbraw/zinc/61/08/70/468610870.db2.gz PSKGYBUESRQQMW-QMMMGPOBSA-N -1 3 338.332 2.173 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)c1C ZINC000594852488 468705376 /nfs/dbraw/zinc/70/53/76/468705376.db2.gz PZENUYDVTGNUGG-WCQYABFASA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601388509 468853785 /nfs/dbraw/zinc/85/37/85/468853785.db2.gz VCVLOKJWDIDIAU-ZJUUUORDSA-N -1 3 334.419 2.058 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC12CC2 ZINC000601482325 468891389 /nfs/dbraw/zinc/89/13/89/468891389.db2.gz RXAIWAXSMPNNGD-CYBMUJFWSA-N -1 3 326.374 2.214 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCCC2 ZINC000601502483 468897368 /nfs/dbraw/zinc/89/73/68/468897368.db2.gz WAMCJSGJSOWKSP-HZMBPMFUSA-N -1 3 326.374 2.214 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c(Cl)c1 ZINC000599363078 469229028 /nfs/dbraw/zinc/22/90/28/469229028.db2.gz AGRRWUSARBVDLB-JTQLQIEISA-N -1 3 348.808 2.343 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599369527 469231770 /nfs/dbraw/zinc/23/17/70/469231770.db2.gz DRMHNZZDGNPBHZ-GRYCIOLGSA-N -1 3 340.401 2.318 10 5 EEBEHM Cc1nc(C)c(CC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001598179073 1349936400 /nfs/dbraw/zinc/93/64/00/1349936400.db2.gz SSQWNEQFMHOURN-JTQLQIEISA-N -1 3 344.371 2.170 10 5 EEBEHM C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001652273435 1354085020 /nfs/dbraw/zinc/08/50/20/1354085020.db2.gz ROYLNGLRYWVBPK-SCSAIBSYSA-N -1 3 336.661 2.375 10 5 EEBEHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OC[C@H]1CCOC1 ZINC000907666610 784786018 /nfs/dbraw/zinc/78/60/18/784786018.db2.gz QORVRVKTXUKHIB-JTQLQIEISA-N -1 3 328.752 2.265 10 5 EEBEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790448985 808718515 /nfs/dbraw/zinc/71/85/15/808718515.db2.gz DBPUMNSJVCBCRJ-HZGVNTEJSA-N -1 3 335.179 2.044 10 5 EEBEHM O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCCc2c(=O)[n-]cnc21 ZINC001438691595 1091195022 /nfs/dbraw/zinc/19/50/22/1091195022.db2.gz ZCIZCGQKTQISAG-KGLIPLIRSA-N -1 3 340.339 2.173 10 5 EEBEHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC001472694335 1110562288 /nfs/dbraw/zinc/56/22/88/1110562288.db2.gz PIYMJGHHGZYOIS-AWEZNQCLSA-N -1 3 325.271 2.293 10 5 EEBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1csc(C(N)=O)c1 ZINC001526867035 1120608464 /nfs/dbraw/zinc/60/84/64/1120608464.db2.gz NFXSAOTVKLBXKB-UHFFFAOYSA-N -1 3 335.341 2.406 10 5 EEBEHM CN(c1ncnc([N-]c2ccccn2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040646901 213364121 /nfs/dbraw/zinc/36/41/21/213364121.db2.gz CSYOGTMPMBOWFZ-UHFFFAOYSA-N -1 3 343.391 2.054 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)cn1 ZINC000069925359 215634856 /nfs/dbraw/zinc/63/48/56/215634856.db2.gz RJYNCIYWIUXSCZ-OAHLLOKOSA-N -1 3 333.369 2.419 10 5 EEBEHM Cc1c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cccc1[N+](=O)[O-] ZINC000119901996 142380795 /nfs/dbraw/zinc/38/07/95/142380795.db2.gz RDPQLBYMMLQMEO-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cccc1[N+](=O)[O-] ZINC000119901996 142380797 /nfs/dbraw/zinc/38/07/97/142380797.db2.gz RDPQLBYMMLQMEO-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM COc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000078228627 292191346 /nfs/dbraw/zinc/19/13/46/292191346.db2.gz YJBMAORDYJSITO-UHFFFAOYSA-N -1 3 331.328 2.151 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000067877648 159014109 /nfs/dbraw/zinc/01/41/09/159014109.db2.gz HFRFCYRDFXBGCJ-KBPBESRZSA-N -1 3 348.380 2.438 10 5 EEBEHM CCc1noc(C)c1[N-]C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000120923565 159396184 /nfs/dbraw/zinc/39/61/84/159396184.db2.gz MSAWVMVTMXFGQX-UHFFFAOYSA-N -1 3 333.300 2.493 10 5 EEBEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184564305 160010822 /nfs/dbraw/zinc/01/08/22/160010822.db2.gz HBKZKOBNDZRTBL-HNNXBMFYSA-N -1 3 344.433 2.201 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000344913324 161255741 /nfs/dbraw/zinc/25/57/41/161255741.db2.gz GPULBNRIDGCVPU-UHFFFAOYSA-N -1 3 332.353 2.164 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C ZINC000359939049 164200241 /nfs/dbraw/zinc/20/02/41/164200241.db2.gz NAWYYLKBKBLXBY-GHMZBOCLSA-N -1 3 328.390 2.318 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000416641064 313283102 /nfs/dbraw/zinc/28/31/02/313283102.db2.gz BPTXWKKOWLBHTG-QWHCGFSZSA-N -1 3 342.417 2.041 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)cn1 ZINC000069925356 463353106 /nfs/dbraw/zinc/35/31/06/463353106.db2.gz RJYNCIYWIUXSCZ-HNNXBMFYSA-N -1 3 333.369 2.419 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)C1 ZINC000073636945 463636885 /nfs/dbraw/zinc/63/68/85/463636885.db2.gz XYGVSCDGSDXIIM-QWRGUYRKSA-N -1 3 328.390 2.460 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000044784050 463693354 /nfs/dbraw/zinc/69/33/54/463693354.db2.gz MXXUNVHYKZJQBO-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000178715105 463948672 /nfs/dbraw/zinc/94/86/72/463948672.db2.gz WILGOSFUJBHMRF-UHFFFAOYSA-N -1 3 330.329 2.013 10 5 EEBEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000178715105 463948675 /nfs/dbraw/zinc/94/86/75/463948675.db2.gz WILGOSFUJBHMRF-UHFFFAOYSA-N -1 3 330.329 2.013 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000554664037 468436234 /nfs/dbraw/zinc/43/62/34/468436234.db2.gz LNILIQMLTVEAQQ-UHFFFAOYSA-N -1 3 326.296 2.462 10 5 EEBEHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600228503 468502222 /nfs/dbraw/zinc/50/22/22/468502222.db2.gz CCYFJWJGSXKRPW-ZDUSSCGKSA-N -1 3 333.388 2.437 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000518218492 468109733 /nfs/dbraw/zinc/10/97/33/468109733.db2.gz LXHOWFLJNHLHOB-SECBINFHSA-N -1 3 327.387 2.399 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000592067437 468611394 /nfs/dbraw/zinc/61/13/94/468611394.db2.gz PSKGYBUESRQQMW-MRVPVSSYSA-N -1 3 338.332 2.173 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601356223 468837888 /nfs/dbraw/zinc/83/78/88/468837888.db2.gz KCMWKRRPZQMQFP-GDPRMGEGSA-N -1 3 346.430 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601356225 468838405 /nfs/dbraw/zinc/83/84/05/468838405.db2.gz KCMWKRRPZQMQFP-JMJZKYOTSA-N -1 3 346.430 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601383824 468851227 /nfs/dbraw/zinc/85/12/27/468851227.db2.gz QPCBKLYSTAMOHL-YUMQZZPRSA-N -1 3 334.419 2.199 10 5 EEBEHM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601416256 468864610 /nfs/dbraw/zinc/86/46/10/468864610.db2.gz SKGWXQFSTRKERO-LBPRGKRZSA-N -1 3 334.419 2.058 10 5 EEBEHM COCC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCCC1 ZINC000601433728 468872024 /nfs/dbraw/zinc/87/20/24/468872024.db2.gz KBWMOHIAZVPLIJ-UHFFFAOYSA-N -1 3 348.446 2.450 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCCC2 ZINC000601500849 468896543 /nfs/dbraw/zinc/89/65/43/468896543.db2.gz CVCNZCOQZKUWCH-HZMBPMFUSA-N -1 3 326.374 2.214 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664243 469083745 /nfs/dbraw/zinc/08/37/45/469083745.db2.gz NKMSWQQNRLWAND-UHFFFAOYSA-N -1 3 326.374 2.214 10 5 EEBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000756203733 577840216 /nfs/dbraw/zinc/84/02/16/577840216.db2.gz GNOKPQWPZFTAFE-DHZHZOJOSA-N -1 3 340.339 2.079 10 5 EEBEHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1ncoc1[C@@H]1CCCO1 ZINC001132747453 1199976307 /nfs/dbraw/zinc/97/63/07/1199976307.db2.gz PKRHPDWAEYIOAD-VIFPVBQESA-N -1 3 334.288 2.090 10 5 EEBEHM CCSCc1cc(C(=O)[N-]c2ncc([N+](=O)[O-])cc2OC)no1 ZINC001132962852 1200229562 /nfs/dbraw/zinc/22/95/62/1200229562.db2.gz JNOXALSFRYZCFN-UHFFFAOYSA-N -1 3 338.345 2.492 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327036572 1334209440 /nfs/dbraw/zinc/20/94/40/1334209440.db2.gz WZUJAXCSNMZRMQ-KXUCPTDWSA-N -1 3 332.328 2.307 10 5 EEBEHM O=c1[n-]ccc(N2CCc3c(cnn3-c3ccccc3)C2)c1[N+](=O)[O-] ZINC001559069536 1342496863 /nfs/dbraw/zinc/49/68/63/1342496863.db2.gz URBWOJSHIQANDI-UHFFFAOYSA-N -1 3 337.339 2.444 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001625651478 1352454572 /nfs/dbraw/zinc/45/45/72/1352454572.db2.gz RVORGANSKTWWRC-UHFFFAOYSA-N -1 3 346.343 2.287 10 5 EEBEHM O=c1ccnc([C@H]2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)[n-]1 ZINC001640525830 1352711063 /nfs/dbraw/zinc/71/10/63/1352711063.db2.gz UKFIVNZLUWVKDD-MGCOHNPYSA-N -1 3 331.332 2.329 10 5 EEBEHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc([N+](=O)[O-])c1 ZINC001657985082 1354351654 /nfs/dbraw/zinc/35/16/54/1354351654.db2.gz IYNBTJACYYPHIA-JTQLQIEISA-N -1 3 330.344 2.014 10 5 EEBEHM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000921425174 773353849 /nfs/dbraw/zinc/35/38/49/773353849.db2.gz XQOCTHXCJUBGOZ-SECBINFHSA-N -1 3 334.369 2.134 10 5 EEBEHM O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCCc2c(=O)[n-]cnc21 ZINC001438691596 1091194739 /nfs/dbraw/zinc/19/47/39/1091194739.db2.gz ZCIZCGQKTQISAG-UONOGXRCSA-N -1 3 340.339 2.173 10 5 EEBEHM CSc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001452729713 1105665671 /nfs/dbraw/zinc/66/56/71/1105665671.db2.gz SKMKLGIKELGBHF-SNVBAGLBSA-N -1 3 348.384 2.375 10 5 EEBEHM CCOC(=O)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)oc1C ZINC001523785281 1119863355 /nfs/dbraw/zinc/86/33/55/1119863355.db2.gz RXMBYTAHPCHVCW-UHFFFAOYSA-N -1 3 325.302 2.382 10 5 EEBEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000173806068 152199869 /nfs/dbraw/zinc/19/98/69/152199869.db2.gz GFVSJZCMQKGXAM-UHFFFAOYSA-N -1 3 341.414 2.135 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000107703787 159335162 /nfs/dbraw/zinc/33/51/62/159335162.db2.gz OFVBIRHLUNSBEX-UHFFFAOYSA-N -1 3 341.414 2.401 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCCSC ZINC000346605342 161385518 /nfs/dbraw/zinc/38/55/18/161385518.db2.gz STNFOQPSIMKEQJ-UHFFFAOYSA-N -1 3 334.419 2.025 10 5 EEBEHM CN1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000272704545 269011360 /nfs/dbraw/zinc/01/13/60/269011360.db2.gz VQPNOZDYIZBQHT-IRXDYDNUSA-N -1 3 341.367 2.476 10 5 EEBEHM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)nc1C ZINC000531888946 317826667 /nfs/dbraw/zinc/82/66/67/317826667.db2.gz AIHCQTZCMVOBTE-UHFFFAOYSA-N -1 3 336.329 2.184 10 5 EEBEHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000344611531 465722156 /nfs/dbraw/zinc/72/21/56/465722156.db2.gz XQFMQODUHRGITJ-UHFFFAOYSA-N -1 3 338.707 2.021 10 5 EEBEHM COc1ncccc1N(C)C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000349198367 466015656 /nfs/dbraw/zinc/01/56/56/466015656.db2.gz WYNLSKRPPWDRKS-UHFFFAOYSA-N -1 3 327.300 2.151 10 5 EEBEHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000338418507 466110853 /nfs/dbraw/zinc/11/08/53/466110853.db2.gz BXNRAMULMDIXAK-SNVBAGLBSA-N -1 3 336.822 2.421 10 5 EEBEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000578777333 468257906 /nfs/dbraw/zinc/25/79/06/468257906.db2.gz FUZBMNJQEWAWDM-YPMHNXCESA-N -1 3 344.433 2.287 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594490143 468607089 /nfs/dbraw/zinc/60/70/89/468607089.db2.gz AQYYRROSEMQLCT-LBPRGKRZSA-N -1 3 340.401 2.365 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594489349 468607370 /nfs/dbraw/zinc/60/73/70/468607370.db2.gz ZKSUPUPAGAVMEU-OLZOCXBDSA-N -1 3 346.380 2.360 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)cc1C ZINC000595392127 468836272 /nfs/dbraw/zinc/83/62/72/468836272.db2.gz KIIBGIMVPOANSW-LBPRGKRZSA-N -1 3 342.417 2.305 10 5 EEBEHM CCC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOCC1 ZINC000601362076 468840920 /nfs/dbraw/zinc/84/09/20/468840920.db2.gz QODGPPKLIPKUBB-UHFFFAOYSA-N -1 3 348.446 2.450 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601369582 468845139 /nfs/dbraw/zinc/84/51/39/468845139.db2.gz GWXZZOVNVDGDFZ-SCZZXKLOSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601377613 468848914 /nfs/dbraw/zinc/84/89/14/468848914.db2.gz GVVNJXIFUXUWQB-VIFPVBQESA-N -1 3 334.419 2.201 10 5 EEBEHM CCC[C@@]1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCOC1 ZINC000601414542 468865038 /nfs/dbraw/zinc/86/50/38/468865038.db2.gz ADERPADRVLVUNV-GFCCVEGCSA-N -1 3 334.419 2.202 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)nc1 ZINC000593530351 469019359 /nfs/dbraw/zinc/01/93/59/469019359.db2.gz JKKBIXIITVWMGX-OAHLLOKOSA-N -1 3 333.369 2.419 10 5 EEBEHM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593550854 469030279 /nfs/dbraw/zinc/03/02/79/469030279.db2.gz LUDXNYOBFDCNQV-LBPRGKRZSA-N -1 3 335.385 2.380 10 5 EEBEHM O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1cc(C2CC[NH2+]CC2)no1 ZINC000595950516 469095787 /nfs/dbraw/zinc/09/57/87/469095787.db2.gz GJPPPILOAHVRCS-UHFFFAOYSA-N -1 3 332.316 2.008 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)c1[N+](=O)[O-] ZINC000599398212 469243324 /nfs/dbraw/zinc/24/33/24/469243324.db2.gz XAMWCYINYVSOLL-XHDPSFHLSA-N -1 3 340.401 2.057 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC000867614843 1201644108 /nfs/dbraw/zinc/64/41/08/1201644108.db2.gz ORVFAEUVWXUVKP-WDEREUQCSA-N -1 3 332.353 2.162 10 5 EEBEHM COC(=O)/C=C/c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000795208625 1212083143 /nfs/dbraw/zinc/08/31/43/1212083143.db2.gz FPJGAULGMXUAFH-FNORWQNLSA-N -1 3 329.312 2.494 10 5 EEBEHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccccc1F ZINC000799922038 1305506914 /nfs/dbraw/zinc/50/69/14/1305506914.db2.gz BSOGBCRUNXDMCK-VQHVLOKHSA-N -1 3 338.320 2.046 10 5 EEBEHM O=C(Nc1cccc(-c2cccnc2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001156532880 1318058541 /nfs/dbraw/zinc/05/85/41/1318058541.db2.gz AUWUWAQGTMWJCX-UHFFFAOYSA-N -1 3 337.295 2.405 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001295912503 1329853220 /nfs/dbraw/zinc/85/32/20/1329853220.db2.gz IHZIQLITMQPGNC-NEPJUHHUSA-N -1 3 344.327 2.237 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001295912503 1329853223 /nfs/dbraw/zinc/85/32/23/1329853223.db2.gz IHZIQLITMQPGNC-NEPJUHHUSA-N -1 3 344.327 2.237 10 5 EEBEHM CC(=O)c1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1[O-] ZINC001297272015 1329956074 /nfs/dbraw/zinc/95/60/74/1329956074.db2.gz BZFVOFQRHZOIMS-UHFFFAOYSA-N -1 3 328.324 2.476 10 5 EEBEHM Cc1nc(C)c(CC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001598179074 1349936425 /nfs/dbraw/zinc/93/64/25/1349936425.db2.gz SSQWNEQFMHOURN-SNVBAGLBSA-N -1 3 344.371 2.170 10 5 EEBEHM O=[N+]([O-])c1ccc(CN2CCC(Cc3nn[n-]n3)CC2)c(Cl)c1 ZINC001654683165 1354155046 /nfs/dbraw/zinc/15/50/46/1354155046.db2.gz VGZZYMXEYLJDIG-UHFFFAOYSA-N -1 3 336.783 2.216 10 5 EEBEHM O=C(Nc1cc2c(cc1Cl)OCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001447320043 1102441387 /nfs/dbraw/zinc/44/13/87/1102441387.db2.gz MTFLPRXCUCAXJE-UHFFFAOYSA-N -1 3 337.675 2.330 10 5 EEBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001468307047 1110472075 /nfs/dbraw/zinc/47/20/75/1110472075.db2.gz MHGGXFDARNQMMD-UHFFFAOYSA-N -1 3 342.267 2.158 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2CCOCC2)c1 ZINC000183617949 235167498 /nfs/dbraw/zinc/16/74/98/235167498.db2.gz ZXJGDNGKAYYMQW-UHFFFAOYSA-N -1 3 348.808 2.262 10 5 EEBEHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000249051978 160371949 /nfs/dbraw/zinc/37/19/49/160371949.db2.gz IGEDXMGECLESEC-MNOVXSKESA-N -1 3 347.462 2.055 10 5 EEBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000185757387 160047193 /nfs/dbraw/zinc/04/71/93/160047193.db2.gz BJOJOVOKTJMQAK-VIFPVBQESA-N -1 3 327.387 2.399 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185818524 160049094 /nfs/dbraw/zinc/04/90/94/160049094.db2.gz OYAJYJGPODPVGL-LLVKDONJSA-N -1 3 327.387 2.481 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)COC(C)C ZINC000416628464 313278743 /nfs/dbraw/zinc/27/87/43/313278743.db2.gz XBSSWZVYZNAYFQ-UHFFFAOYSA-N -1 3 346.405 2.085 10 5 EEBEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000578777332 323707117 /nfs/dbraw/zinc/70/71/17/323707117.db2.gz FUZBMNJQEWAWDM-WCQYABFASA-N -1 3 344.433 2.287 10 5 EEBEHM CN(C)[C@@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCSC1 ZINC000581134489 324193577 /nfs/dbraw/zinc/19/35/77/324193577.db2.gz SZBQSKUNKWDKQO-CQSZACIVSA-N -1 3 325.390 2.142 10 5 EEBEHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CN1CCCCC1 ZINC000066001250 462845793 /nfs/dbraw/zinc/84/57/93/462845793.db2.gz OFWPTWWAIQZYAW-LLVKDONJSA-N -1 3 347.462 2.057 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(F)c(F)cc3s2)n1 ZINC000357911312 466312027 /nfs/dbraw/zinc/31/20/27/466312027.db2.gz NOVDWGBGNPHETI-UHFFFAOYSA-N -1 3 339.283 2.469 10 5 EEBEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000592083048 468615239 /nfs/dbraw/zinc/61/52/39/468615239.db2.gz AYKGXSQFSHTGLN-JGZJWPJOSA-N -1 3 346.380 2.358 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594850844 468704762 /nfs/dbraw/zinc/70/47/62/468704762.db2.gz GOILACGLDOZESF-SECBINFHSA-N -1 3 326.346 2.288 10 5 EEBEHM COCCC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601372003 468846110 /nfs/dbraw/zinc/84/61/10/468846110.db2.gz WETHZPAMSHOOBO-UHFFFAOYSA-N -1 3 348.446 2.450 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C2Cc3ccccc3C2)c([N+](=O)[O-])s1 ZINC000601393000 468855781 /nfs/dbraw/zinc/85/57/81/468855781.db2.gz YEIBZCPYQYNSHV-UHFFFAOYSA-N -1 3 338.410 2.410 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)nc1 ZINC000593530896 469019907 /nfs/dbraw/zinc/01/99/07/469019907.db2.gz NTBIXTPZGCIVHE-UHFFFAOYSA-N -1 3 347.396 2.390 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000599459128 469265337 /nfs/dbraw/zinc/26/53/37/469265337.db2.gz DIDQMAMZCLYUJX-NDBYEHHHSA-N -1 3 342.417 2.302 10 5 EEBEHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2C)on1 ZINC000725987053 576172753 /nfs/dbraw/zinc/17/27/53/576172753.db2.gz FCFAJQMZXIYNOD-JTQLQIEISA-N -1 3 333.300 2.384 10 5 EEBEHM C[C@H](NCC(=O)[N-]OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000775574980 577439974 /nfs/dbraw/zinc/43/99/74/577439974.db2.gz BETJQHJTZXPRMT-ZDUSSCGKSA-N -1 3 329.356 2.493 10 5 EEBEHM CC(C)(C)OC(=O)c1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])[n-]n1 ZINC001299814376 1330167750 /nfs/dbraw/zinc/16/77/50/1330167750.db2.gz TXPKQGRBUBKKGU-UHFFFAOYSA-N -1 3 326.353 2.139 10 5 EEBEHM CC(C)(C)OC(=O)c1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])n[n-]1 ZINC001299814376 1330167751 /nfs/dbraw/zinc/16/77/51/1330167751.db2.gz TXPKQGRBUBKKGU-UHFFFAOYSA-N -1 3 326.353 2.139 10 5 EEBEHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc([N+](=O)[O-])nc1 ZINC001327952979 1334369284 /nfs/dbraw/zinc/36/92/84/1334369284.db2.gz HJTWQQDTICGLSR-UHFFFAOYSA-N -1 3 340.336 2.113 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001642173077 1352728476 /nfs/dbraw/zinc/72/84/76/1352728476.db2.gz DKNQFQXSTYVMGN-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001642173077 1352728477 /nfs/dbraw/zinc/72/84/77/1352728477.db2.gz DKNQFQXSTYVMGN-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001655439050 1354173245 /nfs/dbraw/zinc/17/32/45/1354173245.db2.gz FHDSRYHVGGMDJC-QMMMGPOBSA-N -1 3 342.281 2.116 10 5 EEBEHM O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](c3nn[n-]n3)C2)c1 ZINC001655439050 1354173247 /nfs/dbraw/zinc/17/32/47/1354173247.db2.gz FHDSRYHVGGMDJC-QMMMGPOBSA-N -1 3 342.281 2.116 10 5 EEBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452725709 1105663431 /nfs/dbraw/zinc/66/34/31/1105663431.db2.gz JRWREANMCPNDQT-JTQLQIEISA-N -1 3 346.343 2.052 10 5 EEBEHM CS(=O)(=O)c1cccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001458553962 1109891491 /nfs/dbraw/zinc/89/14/91/1109891491.db2.gz KMXVUNLRGJJOFQ-UHFFFAOYSA-N -1 3 326.355 2.250 10 5 EEBEHM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCCc2c(=O)[n-]cnc21 ZINC001536200606 1123662103 /nfs/dbraw/zinc/66/21/03/1123662103.db2.gz QECQQDHFGLBWKJ-UHFFFAOYSA-N -1 3 334.719 2.337 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cscn2)c(Cl)c1 ZINC000051159603 214080760 /nfs/dbraw/zinc/08/07/60/214080760.db2.gz JIYDPDSLVUDAPR-UHFFFAOYSA-N -1 3 333.778 2.183 10 5 EEBEHM NN=c1nc[n-]c(Nc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000040656760 213365594 /nfs/dbraw/zinc/36/55/94/213365594.db2.gz FZIBMXNASIHDFB-UHFFFAOYSA-N -1 3 325.126 2.177 10 5 EEBEHM Cc1cc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])on1 ZINC000352648637 162227234 /nfs/dbraw/zinc/22/72/34/162227234.db2.gz XFURATATXHMVKH-UHFFFAOYSA-N -1 3 339.373 2.029 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CSC2(C)C)c1[N+](=O)[O-] ZINC000338431269 301558042 /nfs/dbraw/zinc/55/80/42/301558042.db2.gz HDVLYKYGYTUMAF-JTQLQIEISA-N -1 3 330.431 2.384 10 5 EEBEHM C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243897 462690358 /nfs/dbraw/zinc/69/03/58/462690358.db2.gz LWYZWVUXKUTKBI-NSHDSACASA-N -1 3 347.462 2.199 10 5 EEBEHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601357203 468838453 /nfs/dbraw/zinc/83/84/53/468838453.db2.gz NXHUTUWDBOYKME-MRVPVSSYSA-N -1 3 336.435 2.447 10 5 EEBEHM CCC[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OCC ZINC000601471639 468888564 /nfs/dbraw/zinc/88/85/64/468888564.db2.gz FLCIGPHKMKGXAI-SNVBAGLBSA-N -1 3 336.435 2.448 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601513555 468902675 /nfs/dbraw/zinc/90/26/75/468902675.db2.gz FBFMFERSJFYOBA-DZGCQCFKSA-N -1 3 340.401 2.221 10 5 EEBEHM C[C@H]1CN(CC(F)(F)F)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596258507 469223984 /nfs/dbraw/zinc/22/39/84/469223984.db2.gz JRPNVRMHXDBOOP-VIFPVBQESA-N -1 3 334.298 2.016 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000619492151 469624398 /nfs/dbraw/zinc/62/43/98/469624398.db2.gz XNMURJLHAZVORU-MCIGGMRASA-N -1 3 340.401 2.460 10 5 EEBEHM Cc1ccc(C=CS(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])cc1 ZINC000759167245 577638357 /nfs/dbraw/zinc/63/83/57/577638357.db2.gz FKPZDJSZESKORE-NTMALXAHSA-N -1 3 334.357 2.215 10 5 EEBEHM Cc1ccc(C=CS(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000759167245 577638358 /nfs/dbraw/zinc/63/83/58/577638358.db2.gz FKPZDJSZESKORE-NTMALXAHSA-N -1 3 334.357 2.215 10 5 EEBEHM COC(=O)c1cc(C(=O)[N-]c2nocc2C2CC2)cc([N+](=O)[O-])c1 ZINC001133060844 1200360277 /nfs/dbraw/zinc/36/02/77/1200360277.db2.gz OZWTUKQOZSGCOE-UHFFFAOYSA-N -1 3 331.284 2.499 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCSC2)c(F)c1 ZINC000867574908 1201636322 /nfs/dbraw/zinc/63/63/22/1201636322.db2.gz AGIAGXUUJAZZTP-VIFPVBQESA-N -1 3 334.394 2.155 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001333163247 1335973704 /nfs/dbraw/zinc/97/37/04/1335973704.db2.gz QXMMMZUEBQXSMR-ILWJIGKKSA-N -1 3 332.328 2.225 10 5 EEBEHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC001596989997 1349915971 /nfs/dbraw/zinc/91/59/71/1349915971.db2.gz ACFBXGPOCYCSJQ-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC001596989997 1349915973 /nfs/dbraw/zinc/91/59/73/1349915973.db2.gz ACFBXGPOCYCSJQ-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM COC[C@@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183550534 235135945 /nfs/dbraw/zinc/13/59/45/235135945.db2.gz WGZFJTUVXAXUHC-VIFPVBQESA-N -1 3 336.797 2.117 10 5 EEBEHM Cn1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(C2CC2)n1 ZINC000291112562 275271703 /nfs/dbraw/zinc/27/17/03/275271703.db2.gz TVISSZAETQSGNE-UHFFFAOYSA-N -1 3 326.316 2.334 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000295238584 293658317 /nfs/dbraw/zinc/65/83/17/293658317.db2.gz JFZOBVLEVHJUPL-NSHDSACASA-N -1 3 328.390 2.057 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417654958 313556712 /nfs/dbraw/zinc/55/67/12/313556712.db2.gz BQEXBCVOLAWSTM-ZDUSSCGKSA-N -1 3 338.360 2.178 10 5 EEBEHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000354632797 465065948 /nfs/dbraw/zinc/06/59/48/465065948.db2.gz YTISQDTUAOXUDS-JTQLQIEISA-N -1 3 338.366 2.262 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000083981325 463570193 /nfs/dbraw/zinc/57/01/93/463570193.db2.gz RDJOCUKODPAAKB-SKDRFNHKSA-N -1 3 348.808 2.402 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C(C)C)CC1 ZINC000175830814 464637454 /nfs/dbraw/zinc/63/74/54/464637454.db2.gz DAJVOFDGGANXFA-UHFFFAOYSA-N -1 3 328.390 2.318 10 5 EEBEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000578777330 468257868 /nfs/dbraw/zinc/25/78/68/468257868.db2.gz FUZBMNJQEWAWDM-AAEUAGOBSA-N -1 3 344.433 2.287 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCN1C(C)(C)C ZINC000594793031 468687575 /nfs/dbraw/zinc/68/75/75/468687575.db2.gz SPVCWBYRKNLDOR-GFCCVEGCSA-N -1 3 341.433 2.054 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594794694 468689143 /nfs/dbraw/zinc/68/91/43/468689143.db2.gz JKXFKCNUGSOBID-VIFPVBQESA-N -1 3 341.414 2.442 10 5 EEBEHM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C)C1 ZINC000597944630 468720071 /nfs/dbraw/zinc/72/00/71/468720071.db2.gz CFMCODGMVOZUAW-SNVBAGLBSA-N -1 3 327.768 2.120 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595391487 468836731 /nfs/dbraw/zinc/83/67/31/468836731.db2.gz DEBDACBIYPYWDF-SECBINFHSA-N -1 3 334.419 2.058 10 5 EEBEHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601416939 468865694 /nfs/dbraw/zinc/86/56/94/468865694.db2.gz DTXBDKRWADDUPB-UHFFFAOYSA-N -1 3 336.435 2.306 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000593556714 469034728 /nfs/dbraw/zinc/03/47/28/469034728.db2.gz MPHMBUZARIWEJV-VXGBXAGGSA-N -1 3 335.385 2.460 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)nc1 ZINC000593590252 469049732 /nfs/dbraw/zinc/04/97/32/469049732.db2.gz FWTCOKVKTFQFHJ-JOCQHMNTSA-N -1 3 333.369 2.214 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)nc1 ZINC000593611895 469058178 /nfs/dbraw/zinc/05/81/78/469058178.db2.gz XAVOJLMTXSFPGP-NWDGAFQWSA-N -1 3 325.390 2.237 10 5 EEBEHM Cc1noc(C)c1CO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596197155 469196618 /nfs/dbraw/zinc/19/66/18/469196618.db2.gz LBIBPSPSKHUFFH-NSHDSACASA-N -1 3 334.332 2.096 10 5 EEBEHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000813499090 1199070366 /nfs/dbraw/zinc/07/03/66/1199070366.db2.gz LPIRWZBZTIAABD-HNNXBMFYSA-N -1 3 325.340 2.451 10 5 EEBEHM CCc1nn(C)c(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC001187732321 1279619474 /nfs/dbraw/zinc/61/94/74/1279619474.db2.gz GEROFBJTNCLNDI-YFKPBYRVSA-N -1 3 333.274 2.201 10 5 EEBEHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)[n-]1 ZINC001617149113 1352337322 /nfs/dbraw/zinc/33/73/22/1352337322.db2.gz SMQBKOKOHYTCQA-UHFFFAOYSA-N -1 3 333.201 2.052 10 5 EEBEHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc(C(F)(F)F)n[n-]1 ZINC001617149113 1352337325 /nfs/dbraw/zinc/33/73/25/1352337325.db2.gz SMQBKOKOHYTCQA-UHFFFAOYSA-N -1 3 333.201 2.052 10 5 EEBEHM COc1ccc(CSc2nc3c(cnn3C)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC001559441046 1342503721 /nfs/dbraw/zinc/50/37/21/1342503721.db2.gz SUZWUNUTFNBBMF-UHFFFAOYSA-N -1 3 347.356 2.278 10 5 EEBEHM CCNC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC001136322511 785867567 /nfs/dbraw/zinc/86/75/67/785867567.db2.gz UIRYCVCGIPNCTA-UHFFFAOYSA-N -1 3 344.327 2.006 10 5 EEBEHM COC(=O)c1cc(C(=O)[N-]c2ccnc(F)c2F)cc([N+](=O)[O-])c1 ZINC001131428622 812820894 /nfs/dbraw/zinc/82/08/94/812820894.db2.gz FZFCOKTWMMVNHY-UHFFFAOYSA-N -1 3 337.238 2.307 10 5 EEBEHM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001458227018 1109846210 /nfs/dbraw/zinc/84/62/10/1109846210.db2.gz DFYQHTOZADYDDF-UHFFFAOYSA-N -1 3 326.309 2.293 10 5 EEBEHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469716878 1110495978 /nfs/dbraw/zinc/49/59/78/1110495978.db2.gz XTGRAXUEELXVFJ-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC000040825958 213391840 /nfs/dbraw/zinc/39/18/40/213391840.db2.gz HWTSNWAVXDQUQR-UHFFFAOYSA-N -1 3 349.777 2.107 10 5 EEBEHM NC(=O)CCn1ccc([N-]c2nc3ccc([N+](=O)[O-])cc3s2)n1 ZINC000095398346 218330560 /nfs/dbraw/zinc/33/05/60/218330560.db2.gz CBSANIAQIVQDDH-UHFFFAOYSA-N -1 3 332.345 2.020 10 5 EEBEHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000120766305 292257593 /nfs/dbraw/zinc/25/75/93/292257593.db2.gz XNWFJDKYBWFDCF-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000120766305 292257594 /nfs/dbraw/zinc/25/75/94/292257594.db2.gz XNWFJDKYBWFDCF-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM COc1cc([N+](=O)[O-])c(C(=O)NCc2ncccc2[O-])cc1SC ZINC000352498271 162159293 /nfs/dbraw/zinc/15/92/93/162159293.db2.gz ARPASUPIFBTWPS-UHFFFAOYSA-N -1 3 349.368 2.356 10 5 EEBEHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000416525366 313246742 /nfs/dbraw/zinc/24/67/42/313246742.db2.gz PTBLNJDDAZYIEB-UHFFFAOYSA-N -1 3 346.405 2.087 10 5 EEBEHM COc1cc(CN2CCC[C@H](c3cn[nH]c3)C2)cc([N+](=O)[O-])c1[O-] ZINC000092809443 462981777 /nfs/dbraw/zinc/98/17/77/462981777.db2.gz OOYOTZSIHCVIPV-LBPRGKRZSA-N -1 3 332.360 2.412 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)c1 ZINC000182525189 464675332 /nfs/dbraw/zinc/67/53/32/464675332.db2.gz PVQODEVXMQPZQX-GXSJLCMTSA-N -1 3 348.808 2.402 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)c1C ZINC000295342215 464795353 /nfs/dbraw/zinc/79/53/53/464795353.db2.gz QXBNDBGFUYPUDK-GFCCVEGCSA-N -1 3 328.390 2.057 10 5 EEBEHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000184368663 464971074 /nfs/dbraw/zinc/97/10/74/464971074.db2.gz JQLQWFXJJPHJED-CYBMUJFWSA-N -1 3 334.353 2.148 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(O)cc3)cs2)n1 ZINC000357917383 466317419 /nfs/dbraw/zinc/31/74/19/466317419.db2.gz XLMUGJAWGKXFIQ-UHFFFAOYSA-N -1 3 345.340 2.410 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000320078021 466603069 /nfs/dbraw/zinc/60/30/69/466603069.db2.gz XLVKXUROCHEKCO-KOLCDFICSA-N -1 3 348.808 2.078 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601386206 468853210 /nfs/dbraw/zinc/85/32/10/468853210.db2.gz YOYZLNKKFQRMQN-QWRGUYRKSA-N -1 3 348.446 2.447 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c([N+](=O)[O-])s1 ZINC000601471708 468888820 /nfs/dbraw/zinc/88/88/20/468888820.db2.gz GWXAHDOMHVBMPS-SNVBAGLBSA-N -1 3 334.419 2.060 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598623285 468937101 /nfs/dbraw/zinc/93/71/01/468937101.db2.gz VQDZXDRRRLWATA-ZETCQYMHSA-N -1 3 326.346 2.288 10 5 EEBEHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000593552239 469031559 /nfs/dbraw/zinc/03/15/59/469031559.db2.gz JSXNIUAGJMTPMR-JTQLQIEISA-N -1 3 341.414 2.208 10 5 EEBEHM O=C1C[C@@]2(CCSC2)C(=O)[N-]N1c1ccc([N+](=O)[O-])cc1Cl ZINC000601938081 469103229 /nfs/dbraw/zinc/10/32/29/469103229.db2.gz GUVIZHNHRQWJAH-CYBMUJFWSA-N -1 3 341.776 2.139 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)cc1C ZINC000599364159 469228748 /nfs/dbraw/zinc/22/87/48/469228748.db2.gz HUVYAQGWGSZLKZ-ZDUSSCGKSA-N -1 3 342.417 2.307 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@]23C[C@@H]2COC3(C)C)c1[N+](=O)[O-] ZINC000599398209 469243622 /nfs/dbraw/zinc/24/36/22/469243622.db2.gz XAMWCYINYVSOLL-ABAIWWIYSA-N -1 3 340.401 2.057 10 5 EEBEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765166281 577496299 /nfs/dbraw/zinc/49/62/99/577496299.db2.gz LVYMYQDJLBPUOT-SFYZADRCSA-N -1 3 349.206 2.292 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccnc1F ZINC000795268509 1212339521 /nfs/dbraw/zinc/33/95/21/1212339521.db2.gz UIZGSZNGPRGZKF-UHFFFAOYSA-N -1 3 345.739 2.261 10 5 EEBEHM O=C(Nc1ncc(Br)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001142014171 1315420894 /nfs/dbraw/zinc/42/08/94/1315420894.db2.gz UCYPNUIVOXZKPX-UHFFFAOYSA-N -1 3 345.134 2.167 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327036571 1334209366 /nfs/dbraw/zinc/20/93/66/1334209366.db2.gz WZUJAXCSNMZRMQ-BBBLOLIVSA-N -1 3 332.328 2.307 10 5 EEBEHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc2c1CCCN2 ZINC001634531542 1352630352 /nfs/dbraw/zinc/63/03/52/1352630352.db2.gz JGYPTIQMJBEAPA-UHFFFAOYSA-N -1 3 328.328 2.330 10 5 EEBEHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])c1-2 ZINC001146241995 791127028 /nfs/dbraw/zinc/12/70/28/791127028.db2.gz AFEUDMWBCOMWGD-UHFFFAOYSA-N -1 3 332.295 2.158 10 5 EEBEHM C[C@H]1CN(C)c2ccccc2N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001137022644 788579536 /nfs/dbraw/zinc/57/95/36/788579536.db2.gz LOJMSEYNBJLZKL-NSHDSACASA-N -1 3 342.355 2.428 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)n3nc(C)cc3n2)n1 ZINC001437863708 1090443298 /nfs/dbraw/zinc/44/32/98/1090443298.db2.gz RBCUDTLFGQCNQS-UHFFFAOYSA-N -1 3 349.738 2.068 10 5 EEBEHM O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCCc2c(=O)[n-]cnc21 ZINC001438691598 1091195069 /nfs/dbraw/zinc/19/50/69/1091195069.db2.gz ZCIZCGQKTQISAG-ZIAGYGMSSA-N -1 3 340.339 2.173 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccn(C)n2)on1 ZINC001524217473 1120007997 /nfs/dbraw/zinc/00/79/97/1120007997.db2.gz SOEOUDQSRQNGDI-UHFFFAOYSA-N -1 3 343.299 2.244 10 5 EEBEHM CCCc1[nH]nc(C(=O)[N-]c2nc(COC)cs2)c1[N+](=O)[O-] ZINC000115723296 152037200 /nfs/dbraw/zinc/03/72/00/152037200.db2.gz JWTCPQPOXVMRJY-UHFFFAOYSA-N -1 3 325.350 2.126 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]CCCCSC)c([N+](=O)[O-])c1 ZINC000346579919 161383683 /nfs/dbraw/zinc/38/36/83/161383683.db2.gz IHYSEZMXHFUXMC-UHFFFAOYSA-N -1 3 334.419 2.025 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C1CCC1 ZINC000590762635 468332039 /nfs/dbraw/zinc/33/20/39/468332039.db2.gz ZDNDTVVMDMZOSH-UHFFFAOYSA-N -1 3 328.390 2.460 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000339006370 466562468 /nfs/dbraw/zinc/56/24/68/466562468.db2.gz GUCYCOJLYUPTRF-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM O=C(Nc1cc(-c2ccccc2F)on1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000448491818 467591650 /nfs/dbraw/zinc/59/16/50/467591650.db2.gz XAIZIUYFRZKVQT-UHFFFAOYSA-N -1 3 344.258 2.742 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(CC(C)C)CC1 ZINC000595366636 468828177 /nfs/dbraw/zinc/82/81/77/468828177.db2.gz CKUIDKXBAQABDN-UHFFFAOYSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)c([N+](=O)[O-])s1 ZINC000867880971 1201698483 /nfs/dbraw/zinc/69/84/83/1201698483.db2.gz DXZHIEQRISDABJ-WDEREUQCSA-N -1 3 346.430 2.058 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001187599444 1279584975 /nfs/dbraw/zinc/58/49/75/1279584975.db2.gz DMLCCEDTBWAKIP-SNVBAGLBSA-N -1 3 333.323 2.229 10 5 EEBEHM CCOC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001135646774 784155323 /nfs/dbraw/zinc/15/53/23/784155323.db2.gz INXKONLZXCYBOW-UHFFFAOYSA-N -1 3 331.284 2.124 10 5 EEBEHM C[C@@](CO)(NC(=O)Cc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001471124962 1110517941 /nfs/dbraw/zinc/51/79/41/1110517941.db2.gz RYVAWPKTEAEABI-KRWDZBQOSA-N -1 3 348.330 2.006 10 5 EEBEHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc([N+](=O)[O-])cc1 ZINC001473785130 1110580522 /nfs/dbraw/zinc/58/05/22/1110580522.db2.gz LHKBFTKDQULOLF-JTQLQIEISA-N -1 3 330.344 2.014 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc2cc[nH]c2n1 ZINC000352524956 162171452 /nfs/dbraw/zinc/17/14/52/162171452.db2.gz YWAJTULDPMFVMI-UHFFFAOYSA-N -1 3 346.368 2.258 10 5 EEBEHM CSc1nnc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[n-]1 ZINC000359182231 164077130 /nfs/dbraw/zinc/07/71/30/164077130.db2.gz XDACHHJBCWAINL-UHFFFAOYSA-N -1 3 345.287 2.289 10 5 EEBEHM CSc1n[n-]c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000359182231 164077132 /nfs/dbraw/zinc/07/71/32/164077132.db2.gz XDACHHJBCWAINL-UHFFFAOYSA-N -1 3 345.287 2.289 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3ccccn3)s2)n1 ZINC000359385336 164124867 /nfs/dbraw/zinc/12/48/67/164124867.db2.gz JMUMWYSHOGYVRA-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCF)c2ncccc12 ZINC000360267386 164272428 /nfs/dbraw/zinc/27/24/28/164272428.db2.gz MDIDGXNVVFXFGV-UHFFFAOYSA-N -1 3 327.337 2.171 10 5 EEBEHM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000348629602 276863422 /nfs/dbraw/zinc/86/34/22/276863422.db2.gz FXFGOZSEZXXAKV-AWEZNQCLSA-N -1 3 343.383 2.203 10 5 EEBEHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000272540400 464652568 /nfs/dbraw/zinc/65/25/68/464652568.db2.gz RSHSCYZJZBOHRE-VIFPVBQESA-N -1 3 336.797 2.260 10 5 EEBEHM COc1cc(CNc2nc3cc(F)ccc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000362652112 465912967 /nfs/dbraw/zinc/91/29/67/465912967.db2.gz YBBBVJJNTGAAOT-UHFFFAOYSA-N -1 3 332.291 2.358 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])s1 ZINC000601396421 468857853 /nfs/dbraw/zinc/85/78/53/468857853.db2.gz XYDMLEMDUOIBPE-VIFPVBQESA-N -1 3 334.419 2.201 10 5 EEBEHM COCC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601411155 468863077 /nfs/dbraw/zinc/86/30/77/468863077.db2.gz ZDTYKOFEPMBDRJ-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601474515 468889718 /nfs/dbraw/zinc/88/97/18/468889718.db2.gz ROMBGHXZESHRPR-HJGDQZAQSA-N -1 3 334.419 2.055 10 5 EEBEHM COc1ccc(CN2CC[C@H]2CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000599141052 469133681 /nfs/dbraw/zinc/13/36/81/469133681.db2.gz VOEYNSBLEXWOCD-ZDUSSCGKSA-N -1 3 344.371 2.390 10 5 EEBEHM O=C1[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000596206617 469202111 /nfs/dbraw/zinc/20/21/11/469202111.db2.gz PMNCNSWZCYPUEU-CYBMUJFWSA-N -1 3 346.318 2.048 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135563197 490673124 /nfs/dbraw/zinc/67/31/24/490673124.db2.gz BEDHALQTKUXGSY-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135563197 490673126 /nfs/dbraw/zinc/67/31/26/490673126.db2.gz BEDHALQTKUXGSY-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cc(=O)[n-]c(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])n1 ZINC001186905643 1279309368 /nfs/dbraw/zinc/30/93/68/1279309368.db2.gz JVBDKOWARRTDOJ-UHFFFAOYSA-N -1 3 329.291 2.120 10 5 EEBEHM Cn1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC001152852839 1316734230 /nfs/dbraw/zinc/73/42/30/1316734230.db2.gz QXROLVLQXBVUEK-UHFFFAOYSA-N -1 3 339.311 2.348 10 5 EEBEHM O=C(Nc1ccccc1-n1ccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001441150109 1342078353 /nfs/dbraw/zinc/07/83/53/1342078353.db2.gz STWMYIGJNKHHHT-UHFFFAOYSA-N -1 3 325.284 2.133 10 5 EEBEHM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001639634821 1352700008 /nfs/dbraw/zinc/70/00/08/1352700008.db2.gz GKGLITUSOGRURR-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM Cn1ncc2c1nc(SCc1ccc(F)cc1[N+](=O)[O-])[n-]c2=O ZINC001644087057 1352757060 /nfs/dbraw/zinc/75/70/60/1352757060.db2.gz FEFWICHBWCAJCL-UHFFFAOYSA-N -1 3 335.320 2.409 10 5 EEBEHM Cc1[nH][n-]c(=O)c1Sc1ccc(Br)cc1[N+](=O)[O-] ZINC001651842744 1354067391 /nfs/dbraw/zinc/06/73/91/1354067391.db2.gz SSQFJRIQGYCLHA-SECBINFHSA-N -1 3 330.163 2.324 10 5 EEBEHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCO1 ZINC000921674810 793388318 /nfs/dbraw/zinc/38/83/18/793388318.db2.gz IIHXUNZXINOZCE-ZDUSSCGKSA-N -1 3 348.808 2.486 10 5 EEBEHM O=c1[n-]ccc(NCc2nc(-c3cccc(F)c3)no2)c1[N+](=O)[O-] ZINC001472769959 1110563112 /nfs/dbraw/zinc/56/31/12/1110563112.db2.gz SVSXNRBSARDAML-UHFFFAOYSA-N -1 3 331.263 2.497 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cnccn3n2)cc1Cl ZINC001535453595 1123554237 /nfs/dbraw/zinc/55/42/37/1123554237.db2.gz JBUMENLFPKPSFS-UHFFFAOYSA-N -1 3 332.707 2.247 10 5 EEBEHM CS(=O)(=O)c1ccc([N-]c2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000050454760 214057742 /nfs/dbraw/zinc/05/77/42/214057742.db2.gz ZXRRXNGREHGPMS-UHFFFAOYSA-N -1 3 328.737 2.185 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2(O)CCCC2)c1 ZINC000183679670 235193993 /nfs/dbraw/zinc/19/39/93/235193993.db2.gz AMTWTZNHRZMCEI-UHFFFAOYSA-N -1 3 348.808 2.140 10 5 EEBEHM Cn1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000187042713 160091076 /nfs/dbraw/zinc/09/10/76/160091076.db2.gz QZIUDMWUKLWZIX-UHFFFAOYSA-N -1 3 347.718 2.488 10 5 EEBEHM C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000355282024 163132059 /nfs/dbraw/zinc/13/20/59/163132059.db2.gz PMSSKYMJANFTPL-NSHDSACASA-N -1 3 330.344 2.202 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ncccc2C)cc1C ZINC000295283315 293671178 /nfs/dbraw/zinc/67/11/78/293671178.db2.gz BLRAXTLFAAYCAC-UHFFFAOYSA-N -1 3 349.412 2.436 10 5 EEBEHM COc1cc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2cc1OC ZINC000535717602 468319960 /nfs/dbraw/zinc/31/99/60/468319960.db2.gz JYIGQGPBYHEXRN-UHFFFAOYSA-N -1 3 349.328 2.197 10 5 EEBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000135522885 463168827 /nfs/dbraw/zinc/16/88/27/463168827.db2.gz UUDBMMGPDURYJG-UHFFFAOYSA-N -1 3 341.370 2.016 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccccc1C ZINC000030496111 463300372 /nfs/dbraw/zinc/30/03/72/463300372.db2.gz NMLRPBGKFDSMMI-UHFFFAOYSA-N -1 3 336.369 2.390 10 5 EEBEHM O=C(c1ccccc1[O-])N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302824201 466192131 /nfs/dbraw/zinc/19/21/31/466192131.db2.gz WKRRRYHAYZBAFQ-UHFFFAOYSA-N -1 3 345.330 2.402 10 5 EEBEHM Cc1nn(C)c(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1[N+](=O)[O-] ZINC000448492832 467591606 /nfs/dbraw/zinc/59/16/06/467591606.db2.gz PSOMHYPHYWMGGF-UHFFFAOYSA-N -1 3 345.290 2.683 10 5 EEBEHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)on1 ZINC000761977723 577692685 /nfs/dbraw/zinc/69/26/85/577692685.db2.gz XGJSZGXSZBQJKC-UHFFFAOYSA-N -1 3 348.315 2.071 10 5 EEBEHM CSc1cccc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1[N+](=O)[O-] ZINC001132783255 1200022400 /nfs/dbraw/zinc/02/24/00/1200022400.db2.gz CNTQBBAHRUEFTQ-UHFFFAOYSA-N -1 3 346.368 2.405 10 5 EEBEHM COc1cc(COC(=O)c2cccc3nn[n-]c32)ccc1[N+](=O)[O-] ZINC000800206422 1202220492 /nfs/dbraw/zinc/22/04/92/1202220492.db2.gz ACFFTFNIIYZSGW-UHFFFAOYSA-N -1 3 328.284 2.232 10 5 EEBEHM COc1cc(COC(=O)c2cccc3[n-]nnc32)ccc1[N+](=O)[O-] ZINC000800206422 1202220493 /nfs/dbraw/zinc/22/04/93/1202220493.db2.gz ACFFTFNIIYZSGW-UHFFFAOYSA-N -1 3 328.284 2.232 10 5 EEBEHM COc1cc(COC(=O)c2cccc3n[n-]nc32)ccc1[N+](=O)[O-] ZINC000800206422 1202220495 /nfs/dbraw/zinc/22/04/95/1202220495.db2.gz ACFFTFNIIYZSGW-UHFFFAOYSA-N -1 3 328.284 2.232 10 5 EEBEHM CC(C)(C)c1nnc(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)n1N ZINC000827767290 1248703330 /nfs/dbraw/zinc/70/33/30/1248703330.db2.gz VFSVNLVORZWAAQ-UHFFFAOYSA-N -1 3 333.377 2.225 10 5 EEBEHM COc1cc(OC)nc(C(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001124396223 1310893169 /nfs/dbraw/zinc/89/31/69/1310893169.db2.gz IKIZSIXPVZSIOW-UHFFFAOYSA-N -1 3 338.707 2.308 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC001559439475 1342503394 /nfs/dbraw/zinc/50/33/94/1342503394.db2.gz LTFVYYOZQMGZOJ-UHFFFAOYSA-N -1 3 347.356 2.278 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c1 ZINC001651413769 1354051608 /nfs/dbraw/zinc/05/16/08/1354051608.db2.gz ONXXEWBXUVTKRQ-LBPRGKRZSA-N -1 3 329.360 2.398 10 5 EEBEHM COC(=O)c1cc(C)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001652958726 1354109760 /nfs/dbraw/zinc/10/97/60/1354109760.db2.gz CAYBIRNCQGKNTC-UHFFFAOYSA-N -1 3 331.284 2.043 10 5 EEBEHM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000921421892 773350376 /nfs/dbraw/zinc/35/03/76/773350376.db2.gz MNVPGGCXQILGJM-QMMMGPOBSA-N -1 3 336.797 2.340 10 5 EEBEHM COc1cccc([O-])c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001447752032 1103232568 /nfs/dbraw/zinc/23/25/68/1103232568.db2.gz YYMIHLHWUIODMM-UHFFFAOYSA-N -1 3 344.323 2.212 10 5 EEBEHM Cc1nocc1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC001527078143 1120652344 /nfs/dbraw/zinc/65/23/44/1120652344.db2.gz UFOAPUVNJGFGLZ-UHFFFAOYSA-N -1 3 328.288 2.033 10 5 EEBEHM CO[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000050373780 214054477 /nfs/dbraw/zinc/05/44/77/214054477.db2.gz KIPMRXKLCHMXNY-CMPLNLGQSA-N -1 3 334.781 2.094 10 5 EEBEHM COCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327634 215032906 /nfs/dbraw/zinc/03/29/06/215032906.db2.gz WFJYHNCCBPRZLA-UHFFFAOYSA-N -1 3 342.398 2.281 10 5 EEBEHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc([O-])c2ccccc2c1 ZINC000355233030 163118107 /nfs/dbraw/zinc/11/81/07/163118107.db2.gz RNJABYFGZWEULA-UHFFFAOYSA-N -1 3 326.312 2.080 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2nnn(C(C)C)c2C)cc([N+](=O)[O-])c1 ZINC000295058773 311544549 /nfs/dbraw/zinc/54/45/49/311544549.db2.gz QZUUDTMSZBVQHY-UHFFFAOYSA-N -1 3 347.331 2.115 10 5 EEBEHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000064245352 462690768 /nfs/dbraw/zinc/69/07/68/462690768.db2.gz PBOKOTWLXVDBQM-UHFFFAOYSA-N -1 3 346.361 2.283 10 5 EEBEHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000135558503 463175147 /nfs/dbraw/zinc/17/51/47/463175147.db2.gz QLXAKWDCVANKFT-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000135558503 463175152 /nfs/dbraw/zinc/17/51/52/463175152.db2.gz QLXAKWDCVANKFT-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C1CCCC1 ZINC000172166223 464006572 /nfs/dbraw/zinc/00/65/72/464006572.db2.gz IUESLPBOZOGDOE-JTQLQIEISA-N -1 3 328.390 2.460 10 5 EEBEHM COc1cc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897054 467199784 /nfs/dbraw/zinc/19/97/84/467199784.db2.gz PVOZZLOTVGESMF-LLVKDONJSA-N -1 3 334.332 2.072 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594488514 468606081 /nfs/dbraw/zinc/60/60/81/468606081.db2.gz SIKJTPFYQSMUPG-WCQYABFASA-N -1 3 328.390 2.221 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592108704 468627057 /nfs/dbraw/zinc/62/70/57/468627057.db2.gz TULBJYSPVPIMGE-LPEHRKFASA-N -1 3 344.364 2.209 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)c1ccccn1 ZINC000594794264 468688114 /nfs/dbraw/zinc/68/81/14/468688114.db2.gz GGPQYQMOYCMEEF-LBPRGKRZSA-N -1 3 335.385 2.380 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000601379063 468849491 /nfs/dbraw/zinc/84/94/91/468849491.db2.gz RWKGDYOKWJVHJY-UWVGGRQHSA-N -1 3 334.419 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CN2CCCCC2)c([N+](=O)[O-])s1 ZINC000601398131 468857577 /nfs/dbraw/zinc/85/75/77/468857577.db2.gz ACFVXQSKEJCJEX-JTQLQIEISA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2)c([N+](=O)[O-])s1 ZINC000601437167 468872898 /nfs/dbraw/zinc/87/28/98/468872898.db2.gz SGXPOPWVDUUAAH-AOOOYVTPSA-N -1 3 334.419 2.199 10 5 EEBEHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])CC(C)C ZINC000601444836 468876496 /nfs/dbraw/zinc/87/64/96/468876496.db2.gz ZNJCBYTVSPWQDP-JTQLQIEISA-N -1 3 336.435 2.304 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)cc1C ZINC000599481665 469271705 /nfs/dbraw/zinc/27/17/05/469271705.db2.gz HFJPBJSBTOAYDY-OCCSQVGLSA-N -1 3 340.401 2.057 10 5 EEBEHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cccc2ccccc21 ZINC000125483515 688152553 /nfs/dbraw/zinc/15/25/53/688152553.db2.gz JAHOYSKANVSMEB-UHFFFAOYSA-N -1 3 344.352 2.448 10 5 EEBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC001612539204 1352308745 /nfs/dbraw/zinc/30/87/45/1352308745.db2.gz QMZKLUJITKBMRD-SFYZADRCSA-N -1 3 337.361 2.227 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)[n-]n1 ZINC001556064192 1342421401 /nfs/dbraw/zinc/42/14/01/1342421401.db2.gz ZFPYSUXSRULCMV-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)n[n-]1 ZINC001556064192 1342421403 /nfs/dbraw/zinc/42/14/03/1342421403.db2.gz ZFPYSUXSRULCMV-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001640594871 1352712204 /nfs/dbraw/zinc/71/22/04/1352712204.db2.gz JFGIIKPXPAQAON-SECBINFHSA-N -1 3 341.327 2.135 10 5 EEBEHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC001472694336 1110562357 /nfs/dbraw/zinc/56/23/57/1110562357.db2.gz PIYMJGHHGZYOIS-CQSZACIVSA-N -1 3 325.271 2.293 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1 ZINC000183524841 235125995 /nfs/dbraw/zinc/12/59/95/235125995.db2.gz CDOWHZOEIQTBOB-JTQLQIEISA-N -1 3 348.808 2.262 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1C(C)(C)C1(C)C ZINC000360461561 164315633 /nfs/dbraw/zinc/31/56/33/164315633.db2.gz VEOJRFMYRIXHAA-UHFFFAOYSA-N -1 3 328.390 2.316 10 5 EEBEHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000295389550 293703778 /nfs/dbraw/zinc/70/37/78/293703778.db2.gz FYKMLMYWXBUOJO-VHSXEESVSA-N -1 3 338.257 2.207 10 5 EEBEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000188754267 464361137 /nfs/dbraw/zinc/36/11/37/464361137.db2.gz LXYMNRWWXAFBTO-SNVBAGLBSA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1cc(CS(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000268232849 464985645 /nfs/dbraw/zinc/98/56/45/464985645.db2.gz LKPPKKCEUNLJLC-UHFFFAOYSA-N -1 3 345.764 2.164 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000320078015 466603027 /nfs/dbraw/zinc/60/30/27/466603027.db2.gz XLVKXUROCHEKCO-GXSJLCMTSA-N -1 3 348.808 2.078 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCO1 ZINC000420720770 467462758 /nfs/dbraw/zinc/46/27/58/467462758.db2.gz HLMNXVTZHHDKLB-STQMWFEESA-N -1 3 342.417 2.448 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000601444924 468876450 /nfs/dbraw/zinc/87/64/50/468876450.db2.gz LBZFFYMZVXPREV-WDEREUQCSA-N -1 3 346.380 2.278 10 5 EEBEHM CCc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593547832 469028606 /nfs/dbraw/zinc/02/86/06/469028606.db2.gz VIAVBTOJHXBPMD-UHFFFAOYSA-N -1 3 335.385 2.073 10 5 EEBEHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nccs1 ZINC000593558948 469034804 /nfs/dbraw/zinc/03/48/04/469034804.db2.gz WYEGXCNBVQMMHM-LBPRGKRZSA-N -1 3 342.402 2.050 10 5 EEBEHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2ccc(Cl)o2)c1 ZINC000611032725 469144866 /nfs/dbraw/zinc/14/48/66/469144866.db2.gz QXFXVBNXWWENPC-UHFFFAOYSA-N -1 3 330.749 2.461 10 5 EEBEHM COc1cccc([C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)c1 ZINC000596168529 469184369 /nfs/dbraw/zinc/18/43/69/469184369.db2.gz ODDXIACNWCJZPW-AWEZNQCLSA-N -1 3 331.328 2.282 10 5 EEBEHM Nc1c(NC([O-])=NO[C@@H]2CCCCO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575091 1198043337 /nfs/dbraw/zinc/04/33/37/1198043337.db2.gz GCAVYKBYTHTMJG-SNVBAGLBSA-N -1 3 330.728 2.410 10 5 EEBEHM Nc1c(NC(=O)[N-]O[C@@H]2CCCCO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825575091 1198043342 /nfs/dbraw/zinc/04/33/42/1198043342.db2.gz GCAVYKBYTHTMJG-SNVBAGLBSA-N -1 3 330.728 2.410 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001557312832 1342445785 /nfs/dbraw/zinc/44/57/85/1342445785.db2.gz FGDATVYQGIFCTQ-UHFFFAOYSA-N -1 3 330.344 2.372 10 5 EEBEHM Cc1cnc(N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001642863122 1352738962 /nfs/dbraw/zinc/73/89/62/1352738962.db2.gz UKUZCCWTIXUVPR-GHMZBOCLSA-N -1 3 345.359 2.474 10 5 EEBEHM Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC001179880082 800156492 /nfs/dbraw/zinc/15/64/92/800156492.db2.gz ZDWFLYUTVAVLHV-UHFFFAOYSA-N -1 3 329.238 2.480 10 5 EEBEHM Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC001179880082 800156496 /nfs/dbraw/zinc/15/64/96/800156496.db2.gz ZDWFLYUTVAVLHV-UHFFFAOYSA-N -1 3 329.238 2.480 10 5 EEBEHM CCCc1ncc(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000451963423 243327863 /nfs/dbraw/zinc/32/78/63/243327863.db2.gz ZITOKOQQQATRRE-UHFFFAOYSA-N -1 3 339.373 2.155 10 5 EEBEHM CCCN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000268749883 252200279 /nfs/dbraw/zinc/20/02/79/252200279.db2.gz BZBGXOMPQZTQIZ-UHFFFAOYSA-N -1 3 339.320 2.195 10 5 EEBEHM CC(C)(C(=O)[O-])N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000517747401 316688320 /nfs/dbraw/zinc/68/83/20/316688320.db2.gz UIVCXTGYZZXXRH-UHFFFAOYSA-N -1 3 344.371 2.128 10 5 EEBEHM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000280764558 464250135 /nfs/dbraw/zinc/25/01/35/464250135.db2.gz LTPQJRIZKUSUKZ-UHFFFAOYSA-N -1 3 333.388 2.391 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Br)cc2F)n1 ZINC000138595038 463311041 /nfs/dbraw/zinc/31/10/41/463311041.db2.gz RBVPFLYZZRMQGV-UHFFFAOYSA-N -1 3 343.112 2.482 10 5 EEBEHM COCC1([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000283931046 464047304 /nfs/dbraw/zinc/04/73/04/464047304.db2.gz LPYTWQLDVMMDLR-UHFFFAOYSA-N -1 3 348.808 2.404 10 5 EEBEHM C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000582796346 468597524 /nfs/dbraw/zinc/59/75/24/468597524.db2.gz DEOUEBOWULNKCR-NSHDSACASA-N -1 3 347.462 2.055 10 5 EEBEHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600230521 468502611 /nfs/dbraw/zinc/50/26/11/468502611.db2.gz SYPOYLZNVKHLCL-AWEZNQCLSA-N -1 3 333.388 2.437 10 5 EEBEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1 ZINC000420727475 467465498 /nfs/dbraw/zinc/46/54/98/467465498.db2.gz OJHVQXICLDUACX-UWVGGRQHSA-N -1 3 334.419 2.201 10 5 EEBEHM COCCC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601374757 468846895 /nfs/dbraw/zinc/84/68/95/468846895.db2.gz JZIUSWKKMVOPCJ-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593555745 469033151 /nfs/dbraw/zinc/03/31/51/469033151.db2.gz DOMHEJOUAJXZFG-UHFFFAOYSA-N -1 3 335.385 2.128 10 5 EEBEHM O=c1[n-]ccc(NC[C@H](CO)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000596208093 469202018 /nfs/dbraw/zinc/20/20/18/469202018.db2.gz VHTAAMARVBUCKX-SNVBAGLBSA-N -1 3 339.298 2.237 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000599484775 469273946 /nfs/dbraw/zinc/27/39/46/469273946.db2.gz ZSRAVWBMIUJCNK-STQMWFEESA-N -1 3 340.401 2.057 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000610231332 469989777 /nfs/dbraw/zinc/98/97/77/469989777.db2.gz MWLAPJBDLDQROW-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000610231332 469989779 /nfs/dbraw/zinc/98/97/79/469989779.db2.gz MWLAPJBDLDQROW-UHFFFAOYSA-N -1 3 348.315 2.064 10 5 EEBEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1csc([N+](=O)[O-])c1 ZINC001141843508 1315345166 /nfs/dbraw/zinc/34/51/66/1315345166.db2.gz KNTAGNCOJRQDSZ-UHFFFAOYSA-N -1 3 330.329 2.013 10 5 EEBEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1csc([N+](=O)[O-])c1 ZINC001141843508 1315345170 /nfs/dbraw/zinc/34/51/70/1315345170.db2.gz KNTAGNCOJRQDSZ-UHFFFAOYSA-N -1 3 330.329 2.013 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCC2CCOCC2)c([N+](=O)[O-])s1 ZINC001335529587 1336390614 /nfs/dbraw/zinc/39/06/14/1336390614.db2.gz LSGMEMJDORYLRL-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM CC[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc([N+](=O)[O-])c1 ZINC001459862561 1110249007 /nfs/dbraw/zinc/24/90/07/1110249007.db2.gz DPLHGZJQBCHWOT-AWEZNQCLSA-N -1 3 344.371 2.404 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C)c(C(=O)OC)s2)n1 ZINC000427121293 241379336 /nfs/dbraw/zinc/37/93/36/241379336.db2.gz HVDAKVSJGQCCLL-UHFFFAOYSA-N -1 3 338.345 2.220 10 5 EEBEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CO2 ZINC000156084403 462976734 /nfs/dbraw/zinc/97/67/34/462976734.db2.gz GWUNUKJSDSGBNZ-OAHLLOKOSA-N -1 3 348.380 2.456 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000175403654 464541512 /nfs/dbraw/zinc/54/15/12/464541512.db2.gz DSTHHTXFHCLJCD-UHFFFAOYSA-N -1 3 342.323 2.394 10 5 EEBEHM CC(C)(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c([O-])c1 ZINC000337440448 465371657 /nfs/dbraw/zinc/37/16/57/465371657.db2.gz ZHJFPFLTIDNIIM-UHFFFAOYSA-N -1 3 345.355 2.398 10 5 EEBEHM CC(C)C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000591688980 468503353 /nfs/dbraw/zinc/50/33/53/468503353.db2.gz SKWPYERFFDCETC-LBPRGKRZSA-N -1 3 338.360 2.203 10 5 EEBEHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601431207 468869625 /nfs/dbraw/zinc/86/96/25/468869625.db2.gz HWTAKMZESOPJBC-GZMMTYOYSA-N -1 3 334.419 2.057 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000610785417 469071837 /nfs/dbraw/zinc/07/18/37/469071837.db2.gz RHZCHNRTJGSFMO-MRVPVSSYSA-N -1 3 336.316 2.070 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000593643789 469075724 /nfs/dbraw/zinc/07/57/24/469075724.db2.gz DNEFCMROCWFZPY-UHFFFAOYSA-N -1 3 326.374 2.214 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599459998 469265995 /nfs/dbraw/zinc/26/59/95/469265995.db2.gz PERGOVVLJSFBRC-YDEXJTGXSA-N -1 3 348.808 2.338 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc([N+](=O)[O-])c1F ZINC000795240335 1212189109 /nfs/dbraw/zinc/18/91/09/1212189109.db2.gz ASTWQAZVDXVKFN-UHFFFAOYSA-N -1 3 326.296 2.364 10 5 EEBEHM COc1cc(COC(=O)c2cc(F)cc3[n-]nnc32)ccc1[N+](=O)[O-] ZINC000800258316 1233994956 /nfs/dbraw/zinc/99/49/56/1233994956.db2.gz SWVNKLIOZXLWRM-UHFFFAOYSA-N -1 3 346.274 2.371 10 5 EEBEHM COc1cc(COC(=O)c2cc(F)cc3nn[n-]c32)ccc1[N+](=O)[O-] ZINC000800258316 1233994960 /nfs/dbraw/zinc/99/49/60/1233994960.db2.gz SWVNKLIOZXLWRM-UHFFFAOYSA-N -1 3 346.274 2.371 10 5 EEBEHM COc1cc(COC(=O)c2cc(F)cc3n[n-]nc32)ccc1[N+](=O)[O-] ZINC000800258316 1233994963 /nfs/dbraw/zinc/99/49/63/1233994963.db2.gz SWVNKLIOZXLWRM-UHFFFAOYSA-N -1 3 346.274 2.371 10 5 EEBEHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC001290711246 1328248215 /nfs/dbraw/zinc/24/82/15/1328248215.db2.gz AXXLPGUVWLOBLJ-UHFFFAOYSA-N -1 3 347.327 2.379 10 5 EEBEHM COc1cccc([O-])c1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001297106199 1329943385 /nfs/dbraw/zinc/94/33/85/1329943385.db2.gz PRPLTTMYLACXHL-UHFFFAOYSA-N -1 3 342.311 2.115 10 5 EEBEHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc([N+](=O)[O-])cc1 ZINC001620568535 1352360493 /nfs/dbraw/zinc/36/04/93/1352360493.db2.gz LHKBFTKDQULOLF-SNVBAGLBSA-N -1 3 330.344 2.014 10 5 EEBEHM O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595112 1352712042 /nfs/dbraw/zinc/71/20/42/1352712042.db2.gz OCMKCQOXXOTFHV-VIFPVBQESA-N -1 3 341.327 2.135 10 5 EEBEHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001641247097 1352720238 /nfs/dbraw/zinc/72/02/38/1352720238.db2.gz ZBZAQAUYOLSYJB-UHFFFAOYSA-N -1 3 346.274 2.333 10 5 EEBEHM Cc1[n-][nH]c(=O)c1CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001655149244 1354166381 /nfs/dbraw/zinc/16/63/81/1354166381.db2.gz BLVOVQYRKPLHDV-VIFPVBQESA-N -1 3 347.762 2.142 10 5 EEBEHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc([N+](=O)[O-])c1 ZINC001657985084 1354351482 /nfs/dbraw/zinc/35/14/82/1354351482.db2.gz IYNBTJACYYPHIA-SNVBAGLBSA-N -1 3 330.344 2.014 10 5 EEBEHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(=O)[n-]cn1 ZINC001568490183 1124546642 /nfs/dbraw/zinc/54/66/42/1124546642.db2.gz HCYZNDYOBDZVFP-UHFFFAOYSA-N -1 3 342.233 2.039 10 5 EEBEHM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000084043634 203522504 /nfs/dbraw/zinc/52/25/04/203522504.db2.gz DMFZISOGTCPEAA-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]1c1ccccc1 ZINC000185736983 274022307 /nfs/dbraw/zinc/02/23/07/274022307.db2.gz HCWQYHJPYJEJAT-WBVHZDCISA-N -1 3 341.367 2.476 10 5 EEBEHM CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccccc1 ZINC000245824952 290143255 /nfs/dbraw/zinc/14/32/55/290143255.db2.gz FMCQXZGPODLZRO-RHSMWYFYSA-N -1 3 341.367 2.476 10 5 EEBEHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000293805265 293299663 /nfs/dbraw/zinc/29/96/63/293299663.db2.gz NQVVVPRNLQIXND-NSHDSACASA-N -1 3 348.808 2.260 10 5 EEBEHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000271625747 464346521 /nfs/dbraw/zinc/34/65/21/464346521.db2.gz DYFOIDFDFXUFQS-SECBINFHSA-N -1 3 334.419 2.023 10 5 EEBEHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000295364277 464803811 /nfs/dbraw/zinc/80/38/11/464803811.db2.gz SEFRSJYCQCSRKH-LBPRGKRZSA-N -1 3 348.808 2.402 10 5 EEBEHM CCOc1cccnc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000361062287 465738134 /nfs/dbraw/zinc/73/81/34/465738134.db2.gz WLUDMRVTANOHAC-UHFFFAOYSA-N -1 3 345.311 2.427 10 5 EEBEHM COc1cc(CNc2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000362648132 465909628 /nfs/dbraw/zinc/90/96/28/465909628.db2.gz KCOHMAIJANWUPK-UHFFFAOYSA-N -1 3 332.291 2.358 10 5 EEBEHM Cn1ccnc1-c1csc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000372055662 466138109 /nfs/dbraw/zinc/13/81/09/466138109.db2.gz UBLAGBHNEGVQBX-UHFFFAOYSA-N -1 3 330.329 2.099 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1 ZINC000420727473 467465508 /nfs/dbraw/zinc/46/55/08/467465508.db2.gz OJHVQXICLDUACX-NXEZZACHSA-N -1 3 334.419 2.201 10 5 EEBEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000594828484 468698777 /nfs/dbraw/zinc/69/87/77/468698777.db2.gz HVVUAOCVDPQXBL-HAQNSBGRSA-N -1 3 328.390 2.057 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000595351333 468821263 /nfs/dbraw/zinc/82/12/63/468821263.db2.gz RKYDJIIPHLCFFE-SNVBAGLBSA-N -1 3 334.344 2.473 10 5 EEBEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601500671 468896555 /nfs/dbraw/zinc/89/65/55/468896555.db2.gz ZPVMRQDWEOMKNF-NQMVMOMDSA-N -1 3 334.781 2.092 10 5 EEBEHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593525663 469016810 /nfs/dbraw/zinc/01/68/10/469016810.db2.gz JMTFBBHGYYMORW-LBPRGKRZSA-N -1 3 335.385 2.462 10 5 EEBEHM CC(=O)c1c(NCCNC(=O)c2ccc([O-])cc2)cccc1[N+](=O)[O-] ZINC000763204581 577716640 /nfs/dbraw/zinc/71/66/40/577716640.db2.gz UVQBMHFATRDBLX-UHFFFAOYSA-N -1 3 343.339 2.345 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC001149680455 1316012997 /nfs/dbraw/zinc/01/29/97/1316012997.db2.gz ZGFSGHXFZNUSCO-UHFFFAOYSA-N -1 3 339.311 2.036 10 5 EEBEHM CCCc1occc1C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001263679605 1322502061 /nfs/dbraw/zinc/50/20/61/1322502061.db2.gz RUSZLFWXDNGNAU-UHFFFAOYSA-N -1 3 348.359 2.107 10 5 EEBEHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001569509307 1342889333 /nfs/dbraw/zinc/88/93/33/1342889333.db2.gz OGDQBXSIFDKPLD-CYBMUJFWSA-N -1 3 330.768 2.246 10 5 EEBEHM CN1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC001586632011 1348853224 /nfs/dbraw/zinc/85/32/24/1348853224.db2.gz XMJUHLIQEBZOOO-UHFFFAOYSA-N -1 3 346.318 2.321 10 5 EEBEHM O=c1[n-]ccc(NCc2nc(Cc3ccccc3F)no2)c1[N+](=O)[O-] ZINC001472875375 1110564822 /nfs/dbraw/zinc/56/48/22/1110564822.db2.gz WSVYFOMHLIGSIW-UHFFFAOYSA-N -1 3 345.290 2.420 10 5 EEBEHM CN(C)CCOc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000343076783 161100925 /nfs/dbraw/zinc/10/09/25/161100925.db2.gz GVXSJUOXAPZZMS-UHFFFAOYSA-N -1 3 345.355 2.493 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)C1 ZINC000360366147 164293482 /nfs/dbraw/zinc/29/34/82/164293482.db2.gz ZHOIGMXUMHVUOK-QWRGUYRKSA-N -1 3 328.390 2.318 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000583628154 324700926 /nfs/dbraw/zinc/70/09/26/324700926.db2.gz RCUURIPZJFYXKF-UHFFFAOYSA-N -1 3 339.373 2.186 10 5 EEBEHM Cc1c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000135555754 463173989 /nfs/dbraw/zinc/17/39/89/463173989.db2.gz SXZXJQUBGCLWTE-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000135555754 463173994 /nfs/dbraw/zinc/17/39/94/463173994.db2.gz SXZXJQUBGCLWTE-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@]2(C)CCOC2)c1 ZINC000272406393 464596022 /nfs/dbraw/zinc/59/60/22/464596022.db2.gz BRGYDEXAXRGIPQ-LBPRGKRZSA-N -1 3 334.781 2.014 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000319816563 466600101 /nfs/dbraw/zinc/60/01/01/466600101.db2.gz BXPZVAOLAZQJGJ-NXEZZACHSA-N -1 3 348.808 2.078 10 5 EEBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000368734119 466697193 /nfs/dbraw/zinc/69/71/93/466697193.db2.gz RWFRNYZKMXDGRD-UHFFFAOYSA-N -1 3 344.356 2.706 10 5 EEBEHM Cc1cc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000452047978 467313474 /nfs/dbraw/zinc/31/34/74/467313474.db2.gz OOLQOKSSWZEVCZ-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM CC[C@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000594817010 468695366 /nfs/dbraw/zinc/69/53/66/468695366.db2.gz KHNVTHMUVXEKSM-JTQLQIEISA-N -1 3 344.389 2.096 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000595359906 468824650 /nfs/dbraw/zinc/82/46/50/468824650.db2.gz TUUYIOACDRHTJW-WHXUTIOJSA-N -1 3 331.369 2.185 10 5 EEBEHM COc1ccc2c(c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000598364073 468842356 /nfs/dbraw/zinc/84/23/56/468842356.db2.gz JOULHGVZZHOMIX-UHFFFAOYSA-N -1 3 329.312 2.297 10 5 EEBEHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601366661 468843144 /nfs/dbraw/zinc/84/31/44/468843144.db2.gz FULMHGWNUXIXGK-LLVKDONJSA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])s1 ZINC000601461435 468883909 /nfs/dbraw/zinc/88/39/09/468883909.db2.gz DPTWULYIIOHCLL-JTQLQIEISA-N -1 3 347.462 2.116 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)nc1 ZINC000593546390 469028873 /nfs/dbraw/zinc/02/88/73/469028873.db2.gz HBZHHBWPXXZYOE-LBPRGKRZSA-N -1 3 347.396 2.073 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CC(=O)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000599472656 469268057 /nfs/dbraw/zinc/26/80/57/469268057.db2.gz KTSDLZWVJGCQBU-UHFFFAOYSA-N -1 3 346.430 2.392 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000619492150 469624010 /nfs/dbraw/zinc/62/40/10/469624010.db2.gz XNMURJLHAZVORU-HTAVTVPLSA-N -1 3 340.401 2.460 10 5 EEBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000756203734 577840199 /nfs/dbraw/zinc/84/01/99/577840199.db2.gz GNOKPQWPZFTAFE-FLIBITNWSA-N -1 3 340.339 2.079 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(OC)nc2Cl)n1 ZINC000756717222 577849279 /nfs/dbraw/zinc/84/92/79/577849279.db2.gz IEJWFFZUCQIGKA-UHFFFAOYSA-N -1 3 325.712 2.121 10 5 EEBEHM O=c1cc(CNc2c(Cl)cncc2[N+](=O)[O-])nc(C2CCC2)[n-]1 ZINC001187189617 1279423901 /nfs/dbraw/zinc/42/39/01/1279423901.db2.gz DQGVRXCPRDWNLS-UHFFFAOYSA-N -1 3 335.751 2.440 10 5 EEBEHM Cc1cccc([O-])c1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001155977736 1317813513 /nfs/dbraw/zinc/81/35/13/1317813513.db2.gz AUGHLQNFYFBSSK-UHFFFAOYSA-N -1 3 326.312 2.415 10 5 EEBEHM O=C([N-]c1ccccc1S(=O)(=O)C1CC1)c1ccc([N+](=O)[O-])o1 ZINC001289425092 1328025602 /nfs/dbraw/zinc/02/56/02/1328025602.db2.gz ZUNPMCGYXKKFNC-UHFFFAOYSA-N -1 3 336.325 2.376 10 5 EEBEHM COC(=O)c1cccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1Cl ZINC001129334464 803830251 /nfs/dbraw/zinc/83/02/51/803830251.db2.gz DKPLAFMZLZAHJI-UHFFFAOYSA-N -1 3 338.707 2.021 10 5 EEBEHM CSc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1[N+](=O)[O-] ZINC001536199572 1123661993 /nfs/dbraw/zinc/66/19/93/1123661993.db2.gz ASMLQCQLXCXGMO-UHFFFAOYSA-N -1 3 346.368 2.405 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)ccn2)n1 ZINC000191962597 237281798 /nfs/dbraw/zinc/28/17/98/237281798.db2.gz ZGLGLEYZLUHLQB-UHFFFAOYSA-N -1 3 329.238 2.477 10 5 EEBEHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncccc1[O-] ZINC000352515872 162167435 /nfs/dbraw/zinc/16/74/35/162167435.db2.gz INVWFTVADDVXBX-SNVBAGLBSA-N -1 3 333.369 2.492 10 5 EEBEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288771397 275084705 /nfs/dbraw/zinc/08/47/05/275084705.db2.gz JQMZJIAFMKYOOK-UHFFFAOYSA-N -1 3 331.712 2.255 10 5 EEBEHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431924536 314667543 /nfs/dbraw/zinc/66/75/43/314667543.db2.gz QAMPKOFFBSRMEY-UHFFFAOYSA-N -1 3 338.389 2.025 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000351583174 465234732 /nfs/dbraw/zinc/23/47/32/465234732.db2.gz SCLKWXHXQVGTFE-VIFPVBQESA-N -1 3 348.427 2.038 10 5 EEBEHM CCOC(=O)C([O-])=Cc1nc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000095496286 463093301 /nfs/dbraw/zinc/09/33/01/463093301.db2.gz BYLHGTNIAGRWMB-UHFFFAOYSA-N -1 3 344.323 2.244 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000277131283 463884158 /nfs/dbraw/zinc/88/41/58/463884158.db2.gz BQEXBCVOLAWSTM-CYBMUJFWSA-N -1 3 338.360 2.178 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(C)CCOCC2)c1 ZINC000180198480 464264585 /nfs/dbraw/zinc/26/45/85/464264585.db2.gz BBOCVOLBSYNPOO-UHFFFAOYSA-N -1 3 348.808 2.404 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCSC2)c1 ZINC000272444123 464611633 /nfs/dbraw/zinc/61/16/33/464611633.db2.gz ITJFYVPPXKXFAC-MRVPVSSYSA-N -1 3 336.822 2.340 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000319816588 466600491 /nfs/dbraw/zinc/60/04/91/466600491.db2.gz BXPZVAOLAZQJGJ-VHSXEESVSA-N -1 3 348.808 2.078 10 5 EEBEHM O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000600230564 468501711 /nfs/dbraw/zinc/50/17/11/468501711.db2.gz URPNGZHAXVYXGZ-CYBMUJFWSA-N -1 3 333.388 2.437 10 5 EEBEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCO1 ZINC000420715761 467461032 /nfs/dbraw/zinc/46/10/32/467461032.db2.gz BDUMQUFUWVFYLE-QWHCGFSZSA-N -1 3 342.417 2.448 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594851995 468705416 /nfs/dbraw/zinc/70/54/16/468705416.db2.gz GMSKLXIGSPOVSF-MDZLAQPJSA-N -1 3 340.401 2.318 10 5 EEBEHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000594860410 468709132 /nfs/dbraw/zinc/70/91/32/468709132.db2.gz CXSSZDZOGBTJFO-AWEZNQCLSA-N -1 3 328.390 2.460 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000595359905 468824706 /nfs/dbraw/zinc/82/47/06/468824706.db2.gz TUUYIOACDRHTJW-KPPDAEKUSA-N -1 3 331.369 2.185 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000595363883 468825750 /nfs/dbraw/zinc/82/57/50/468825750.db2.gz KZKLADLUIJGNPJ-AWEZNQCLSA-N -1 3 328.390 2.316 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601464587 468885566 /nfs/dbraw/zinc/88/55/66/468885566.db2.gz REEOFBMGIXUROJ-SNVBAGLBSA-N -1 3 347.462 2.116 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCS2)c(F)c1 ZINC000867662472 1201653496 /nfs/dbraw/zinc/65/34/96/1201653496.db2.gz HPRMVJNMKUHXMR-SNVBAGLBSA-N -1 3 334.394 2.298 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001187599443 1279584900 /nfs/dbraw/zinc/58/49/00/1279584900.db2.gz DMLCCEDTBWAKIP-JTQLQIEISA-N -1 3 333.323 2.229 10 5 EEBEHM COc1ccc([N-]C(=O)c2coc3c2C(=O)NCCC3)c([N+](=O)[O-])c1 ZINC001124338554 1310875046 /nfs/dbraw/zinc/87/50/46/1310875046.db2.gz HUUILYMFZYSYKG-UHFFFAOYSA-N -1 3 345.311 2.125 10 5 EEBEHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164320677 1321350426 /nfs/dbraw/zinc/35/04/26/1321350426.db2.gz CGYZYCQQWGLTAB-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM Cc1cc(N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001642862650 1352738758 /nfs/dbraw/zinc/73/87/58/1352738758.db2.gz JBZGAATZEVKKAP-QWRGUYRKSA-N -1 3 345.359 2.474 10 5 EEBEHM Cn1c(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])nc2ccc(F)cc21 ZINC001650771978 1354029377 /nfs/dbraw/zinc/02/93/77/1354029377.db2.gz FBBXRTHAHRFUGS-UHFFFAOYSA-N -1 3 331.307 2.376 10 5 EEBEHM CN(C)C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000159922941 237228808 /nfs/dbraw/zinc/22/88/08/237228808.db2.gz QBJKDASASPJLSY-CQSZACIVSA-N -1 3 329.356 2.333 10 5 EEBEHM COC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000071914165 203148348 /nfs/dbraw/zinc/14/83/48/203148348.db2.gz IKGLXFCLGJDJEV-UHFFFAOYSA-N -1 3 346.295 2.348 10 5 EEBEHM COc1cc(Cc2nc3cccnc3c(=O)[n-]2)c([N+](=O)[O-])c(OC)c1 ZINC000491823169 246165743 /nfs/dbraw/zinc/16/57/43/246165743.db2.gz ZUYBLNJOUDMMBY-UHFFFAOYSA-N -1 3 342.311 2.247 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000107704091 159334990 /nfs/dbraw/zinc/33/49/90/159334990.db2.gz DJGGDUMGMGQAEN-UHFFFAOYSA-N -1 3 341.414 2.401 10 5 EEBEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000289642940 275135201 /nfs/dbraw/zinc/13/52/01/275135201.db2.gz SNESTBUKBLTWAQ-RKDXNWHRSA-N -1 3 336.797 2.258 10 5 EEBEHM COc1cc(S(=O)(=O)[N-]CCCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000297131663 294159799 /nfs/dbraw/zinc/15/97/99/294159799.db2.gz QHHFZMRKPHRNNJ-UHFFFAOYSA-N -1 3 338.332 2.317 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000159972668 311348417 /nfs/dbraw/zinc/34/84/17/311348417.db2.gz BWRHNPHCRYVDJB-LLVKDONJSA-N -1 3 327.387 2.481 10 5 EEBEHM CN(C)[C@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCSC1 ZINC000581134484 324193304 /nfs/dbraw/zinc/19/33/04/324193304.db2.gz SZBQSKUNKWDKQO-AWEZNQCLSA-N -1 3 325.390 2.142 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000067877259 463062171 /nfs/dbraw/zinc/06/21/71/463062171.db2.gz ICJFSDMJFHJSNC-ZIAGYGMSSA-N -1 3 348.380 2.438 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 ZINC000030495972 463300165 /nfs/dbraw/zinc/30/01/65/463300165.db2.gz CAYMASVLRRNAIZ-JTQLQIEISA-N -1 3 337.357 2.038 10 5 EEBEHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189146839 464445060 /nfs/dbraw/zinc/44/50/60/464445060.db2.gz FQBDWLCGPIOZJI-SNVBAGLBSA-N -1 3 337.357 2.038 10 5 EEBEHM CN(CCNC(=O)c1cccc([O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000343162552 465485358 /nfs/dbraw/zinc/48/53/58/465485358.db2.gz QBOJFUGVEOOIDO-UHFFFAOYSA-N -1 3 329.356 2.162 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000362909428 466117221 /nfs/dbraw/zinc/11/72/21/466117221.db2.gz TYENRGFMRPFKLY-GCZXYKMCSA-N -1 3 340.401 2.460 10 5 EEBEHM CN(C)c1ncccc1N(C)C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000431448825 467517058 /nfs/dbraw/zinc/51/70/58/467517058.db2.gz XQQWRCDDGBROLG-UHFFFAOYSA-N -1 3 340.343 2.209 10 5 EEBEHM CCn1c(=O)[n-]nc1SCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600513016 468577950 /nfs/dbraw/zinc/57/79/50/468577950.db2.gz ATFUFSSSPXUAQK-UHFFFAOYSA-N -1 3 326.309 2.026 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C1CC1)C1CC1 ZINC000595361391 468825017 /nfs/dbraw/zinc/82/50/17/468825017.db2.gz UTBRJYWRQXSLGF-UHFFFAOYSA-N -1 3 340.401 2.460 10 5 EEBEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCO1 ZINC000601444888 468876713 /nfs/dbraw/zinc/87/67/13/468876713.db2.gz KRTPRZWYERQRNA-ZJUUUORDSA-N -1 3 334.419 2.201 10 5 EEBEHM O=c1[n-]ccc(N2CCC(c3nnc4ccccn43)CC2)c1[N+](=O)[O-] ZINC000596063800 469135816 /nfs/dbraw/zinc/13/58/16/469135816.db2.gz SUDHFFVETPZCOI-UHFFFAOYSA-N -1 3 340.343 2.122 10 5 EEBEHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000596287235 469232770 /nfs/dbraw/zinc/23/27/70/469232770.db2.gz YWBXEICMIRWBTO-QWRGUYRKSA-N -1 3 337.376 2.500 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2C(=O)C(C)C)n1 ZINC000191715847 529154439 /nfs/dbraw/zinc/15/44/39/529154439.db2.gz JNBZOFDYRSJWHP-UHFFFAOYSA-N -1 3 331.332 2.297 10 5 EEBEHM Cn1ncc2c1nc(SCc1ccc([N+](=O)[O-])c(F)c1)[n-]c2=O ZINC001189738156 1280487164 /nfs/dbraw/zinc/48/71/64/1280487164.db2.gz PQCYNSNALLCVNE-UHFFFAOYSA-N -1 3 335.320 2.409 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccccc21 ZINC001296822815 1329922045 /nfs/dbraw/zinc/92/20/45/1329922045.db2.gz OFPCUTWVMTWLAB-UHFFFAOYSA-N -1 3 340.339 2.325 10 5 EEBEHM O=C(Nc1ncccc1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001611473602 1352301440 /nfs/dbraw/zinc/30/14/40/1352301440.db2.gz QGLGPEIEEPWNFI-UHFFFAOYSA-N -1 3 343.274 2.273 10 5 EEBEHM CCc1ncoc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC001586736324 1348854015 /nfs/dbraw/zinc/85/40/15/1348854015.db2.gz UJVUTRVHGMUHDQ-UHFFFAOYSA-N -1 3 333.300 2.493 10 5 EEBEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC001640617510 1352712632 /nfs/dbraw/zinc/71/26/32/1352712632.db2.gz MXOIXZQLFWGRES-UHFFFAOYSA-N -1 3 330.344 2.452 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC001458599564 1109907517 /nfs/dbraw/zinc/90/75/17/1109907517.db2.gz WNIAKPBQMIDHMJ-SNVBAGLBSA-N -1 3 333.323 2.229 10 5 EEBEHM CCOc1cc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)ccc1[N+](=O)[O-] ZINC001458674345 1109929921 /nfs/dbraw/zinc/92/99/21/1109929921.db2.gz HXJSUIANSMWGSH-GFCCVEGCSA-N -1 3 345.359 2.180 10 5 EEBEHM Cn1ncc2c1nc(SCCc1ccc([N+](=O)[O-])cc1)[n-]c2=O ZINC001473058850 1110570628 /nfs/dbraw/zinc/57/06/28/1110570628.db2.gz FQUSUIXMJBOKNV-UHFFFAOYSA-N -1 3 331.357 2.312 10 5 EEBEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC001541028429 1124098417 /nfs/dbraw/zinc/09/84/17/1124098417.db2.gz LBBPQTFKZNTEKI-UHFFFAOYSA-N -1 3 341.323 2.355 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C ZINC000052781853 214144918 /nfs/dbraw/zinc/14/49/18/214144918.db2.gz BQARSXZPXREJHO-ZYHUDNBSSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000185757365 160047696 /nfs/dbraw/zinc/04/76/96/160047696.db2.gz BJOJOVOKTJMQAK-SECBINFHSA-N -1 3 327.387 2.399 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)c1 ZINC000277629553 269165067 /nfs/dbraw/zinc/16/50/67/269165067.db2.gz CDGSNNCNWZZOMN-NXEZZACHSA-N -1 3 348.808 2.260 10 5 EEBEHM COC(=O)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)no1 ZINC000439243928 315071357 /nfs/dbraw/zinc/07/13/57/315071357.db2.gz FAIOWFIKKPIABK-UHFFFAOYSA-N -1 3 342.267 2.170 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000063186907 462632974 /nfs/dbraw/zinc/63/29/74/462632974.db2.gz OLSZKJYTQAHXLR-KGLIPLIRSA-N -1 3 348.380 2.438 10 5 EEBEHM CN(C)Cc1ccccc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000348688775 465744750 /nfs/dbraw/zinc/74/47/50/465744750.db2.gz RLHLCWVKXFDLIE-UHFFFAOYSA-N -1 3 329.356 2.292 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592109028 468627187 /nfs/dbraw/zinc/62/71/87/468627187.db2.gz WNPQWZZVBYFYPL-GARJFASQSA-N -1 3 326.374 2.070 10 5 EEBEHM COCc1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000594850461 468703823 /nfs/dbraw/zinc/70/38/23/468703823.db2.gz OXAQDSPGLYTJHR-UHFFFAOYSA-N -1 3 348.427 2.343 10 5 EEBEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000593625849 469065539 /nfs/dbraw/zinc/06/55/39/469065539.db2.gz BXSYWIKJFUTUAC-ZWNOBZJWSA-N -1 3 344.433 2.287 10 5 EEBEHM CC(C)[C@@H](C)NC(=O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596098573 469153117 /nfs/dbraw/zinc/15/31/17/469153117.db2.gz RTAOBXJBPPUSEL-LLVKDONJSA-N -1 3 336.392 2.073 10 5 EEBEHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000596287234 469233480 /nfs/dbraw/zinc/23/34/80/469233480.db2.gz YWBXEICMIRWBTO-MNOVXSKESA-N -1 3 337.376 2.500 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncccc2OC(F)F)n1 ZINC000191610185 529155524 /nfs/dbraw/zinc/15/55/24/529155524.db2.gz ZHPOLKXGWZIHAB-UHFFFAOYSA-N -1 3 327.247 2.060 10 5 EEBEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000445738025 535306058 /nfs/dbraw/zinc/30/60/58/535306058.db2.gz CYHOIILQWNIURL-HNNXBMFYSA-N -1 3 342.417 2.204 10 5 EEBEHM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001160931053 1320320550 /nfs/dbraw/zinc/32/05/50/1320320550.db2.gz UMVAPAOQVAPUPG-UHFFFAOYSA-N -1 3 347.718 2.155 10 5 EEBEHM O=C(Cc1ccc([O-])c(F)c1)NCCNc1ccccc1[N+](=O)[O-] ZINC001623359411 1352395348 /nfs/dbraw/zinc/39/53/48/1352395348.db2.gz ZRPWDMWHAGEVPO-UHFFFAOYSA-N -1 3 333.319 2.210 10 5 EEBEHM CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001652189485 1354081226 /nfs/dbraw/zinc/08/12/26/1354081226.db2.gz ZTRXHAISTNBGDE-GFCCVEGCSA-N -1 3 344.327 2.157 10 5 EEBEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000921714577 795589753 /nfs/dbraw/zinc/58/97/53/795589753.db2.gz FFZLFBQIJNBKNK-BDAKNGLRSA-N -1 3 334.394 2.296 10 5 EEBEHM Cn1cnc([N-]C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n1 ZINC001468530074 1110476140 /nfs/dbraw/zinc/47/61/40/1110476140.db2.gz IEAPLGJSUCGERY-UHFFFAOYSA-N -1 3 334.094 2.422 10 5 EEBEHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204649 202340190 /nfs/dbraw/zinc/34/01/90/202340190.db2.gz UOEZKZLLULQNJA-UHFFFAOYSA-N -1 3 327.749 2.122 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000158344171 201157589 /nfs/dbraw/zinc/15/75/89/201157589.db2.gz IPKOILIEYMHFGV-BXKDBHETSA-N -1 3 348.808 2.078 10 5 EEBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nccs2)c1 ZINC000040447001 203031012 /nfs/dbraw/zinc/03/10/12/203031012.db2.gz WQDDAMJJZROUTE-UHFFFAOYSA-N -1 3 333.778 2.183 10 5 EEBEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120666210 292256723 /nfs/dbraw/zinc/25/67/23/292256723.db2.gz SHGYPMAFQNNBRR-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120666210 292256726 /nfs/dbraw/zinc/25/67/26/292256726.db2.gz SHGYPMAFQNNBRR-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM Cc1cc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])on1 ZINC000352648508 162227976 /nfs/dbraw/zinc/22/79/76/162227976.db2.gz UYBRDWWQCPDLHM-UHFFFAOYSA-N -1 3 339.373 2.029 10 5 EEBEHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC[C@H](C)C1 ZINC000066333456 462876028 /nfs/dbraw/zinc/87/60/28/462876028.db2.gz DRNNQXWATFGXSJ-QWRGUYRKSA-N -1 3 347.462 2.055 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000185723077 463868265 /nfs/dbraw/zinc/86/82/65/463868265.db2.gz SZWBZVRRMYBYPU-NSHDSACASA-N -1 3 346.380 2.280 10 5 EEBEHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000265494673 464581470 /nfs/dbraw/zinc/58/14/70/464581470.db2.gz XLDKDLDAVISXML-NSHDSACASA-N -1 3 346.405 2.087 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)c1 ZINC000182525171 464675531 /nfs/dbraw/zinc/67/55/31/464675531.db2.gz PVQODEVXMQPZQX-KOLCDFICSA-N -1 3 348.808 2.402 10 5 EEBEHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c([O-])c1 ZINC000340589854 466191309 /nfs/dbraw/zinc/19/13/09/466191309.db2.gz NUQQAYOPEFQQQW-UHFFFAOYSA-N -1 3 345.311 2.433 10 5 EEBEHM CCCc1[nH]nc(C(=O)Nc2ccc([O-])cc2COC)c1[N+](=O)[O-] ZINC000458068661 467763296 /nfs/dbraw/zinc/76/32/96/467763296.db2.gz UZYDSKJWIRPVGK-UHFFFAOYSA-N -1 3 334.332 2.375 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000594487227 468605274 /nfs/dbraw/zinc/60/52/74/468605274.db2.gz LUEMAPABNURJNY-VIFPVBQESA-N -1 3 349.359 2.482 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCN1C(C)(C)C ZINC000594793032 468687305 /nfs/dbraw/zinc/68/73/05/468687305.db2.gz SPVCWBYRKNLDOR-LBPRGKRZSA-N -1 3 341.433 2.054 10 5 EEBEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594801433 468691872 /nfs/dbraw/zinc/69/18/72/468691872.db2.gz OEPWGNYBMLTONP-LBPRGKRZSA-N -1 3 328.390 2.078 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144733 469121714 /nfs/dbraw/zinc/12/17/14/469121714.db2.gz TZBLTHSAPPCTAN-NSHDSACASA-N -1 3 336.316 2.070 10 5 EEBEHM COC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000596115935 469163749 /nfs/dbraw/zinc/16/37/49/469163749.db2.gz QAODAGUQRZSWPF-LLVKDONJSA-N -1 3 349.318 2.278 10 5 EEBEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000599316418 469208515 /nfs/dbraw/zinc/20/85/15/469208515.db2.gz HAUGHUGPGXCGPL-UHFFFAOYSA-N -1 3 339.373 2.295 10 5 EEBEHM Cn1[n-]c([C@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])nc1=N ZINC000596252786 469222539 /nfs/dbraw/zinc/22/25/39/469222539.db2.gz RNUWUUOWLMEDFN-GFCCVEGCSA-N -1 3 339.359 2.026 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC12CC2 ZINC000599522020 469283811 /nfs/dbraw/zinc/28/38/11/469283811.db2.gz YGRGSAYHOBARRA-NSHDSACASA-N -1 3 340.401 2.462 10 5 EEBEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742277488 577870417 /nfs/dbraw/zinc/87/04/17/577870417.db2.gz WMLCYTVCFHJFAF-YUMQZZPRSA-N -1 3 349.206 2.292 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC2SCCS2)c([N+](=O)[O-])s1 ZINC000867530720 1201628718 /nfs/dbraw/zinc/62/87/18/1201628718.db2.gz BTKQHNQAGWOCAK-UHFFFAOYSA-N -1 3 340.473 2.049 10 5 EEBEHM CC(=CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000778963235 1208422118 /nfs/dbraw/zinc/42/21/18/1208422118.db2.gz AMZKRPOBHFROSX-BQYQJAHWSA-N -1 3 330.300 2.146 10 5 EEBEHM Cc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC001287962404 1327577202 /nfs/dbraw/zinc/57/72/02/1327577202.db2.gz SVZIMTCSLHPPNQ-UHFFFAOYSA-N -1 3 344.371 2.265 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001303520680 1331357001 /nfs/dbraw/zinc/35/70/01/1331357001.db2.gz JTLNQDTZDCOFBT-UHFFFAOYSA-N -1 3 328.328 2.206 10 5 EEBEHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001148962978 792810609 /nfs/dbraw/zinc/81/06/09/792810609.db2.gz ZDJGWQHMIKXDJU-UHFFFAOYSA-N -1 3 336.329 2.079 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3ncc([N+](=O)[O-])cc3C)CC2)n1 ZINC001458653772 1109925984 /nfs/dbraw/zinc/92/59/84/1109925984.db2.gz KAZSKATTZNAZQI-UHFFFAOYSA-N -1 3 344.375 2.183 10 5 EEBEHM Cc1cc(=O)n(Cc2cc(=O)[n-]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001458994075 1110041779 /nfs/dbraw/zinc/04/17/79/1110041779.db2.gz FVMOVKFCJVSCLB-UHFFFAOYSA-N -1 3 338.323 2.276 10 5 EEBEHM CCc1nc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC001466275955 1110432505 /nfs/dbraw/zinc/43/25/05/1110432505.db2.gz BCPZFAQGMVGGRW-UHFFFAOYSA-N -1 3 340.137 2.290 10 5 EEBEHM O=C(Nc1ncccc1[O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001466805300 1110443909 /nfs/dbraw/zinc/44/39/09/1110443909.db2.gz FKYAXNLRXDWFSN-UHFFFAOYSA-N -1 3 339.311 2.193 10 5 EEBEHM COC(=O)c1cnc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001534838271 1123427278 /nfs/dbraw/zinc/42/72/78/1123427278.db2.gz IUQADUSOYJHGEJ-UHFFFAOYSA-N -1 3 336.691 2.077 10 5 EEBEHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C ZINC000416548605 313253682 /nfs/dbraw/zinc/25/36/82/313253682.db2.gz PEEYQKIBFUDOOB-UHFFFAOYSA-N -1 3 327.387 2.147 10 5 EEBEHM CCOc1cc(CN2C[C@@H](OC)C[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000574697517 320048812 /nfs/dbraw/zinc/04/88/12/320048812.db2.gz SWYAGKPKKHTHHI-OLZOCXBDSA-N -1 3 338.360 2.058 10 5 EEBEHM Cc1cn(C2CCCCC2)nc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000429469851 467340235 /nfs/dbraw/zinc/34/02/35/467340235.db2.gz GKWPTDMKEDPSHN-UHFFFAOYSA-N -1 3 345.359 2.958 10 5 EEBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000594782939 468683724 /nfs/dbraw/zinc/68/37/24/468683724.db2.gz SWNPFAISKHKTDQ-AAEUAGOBSA-N -1 3 347.396 2.467 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCN2CCCC[C@H]2C)c([N+](=O)[O-])s1 ZINC000601306643 468819282 /nfs/dbraw/zinc/81/92/82/468819282.db2.gz NPRRPBZGPMMYBL-SNVBAGLBSA-N -1 3 347.462 2.117 10 5 EEBEHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCC2 ZINC000601436730 468872604 /nfs/dbraw/zinc/87/26/04/468872604.db2.gz KUFMUGAOVMFWFM-QWRGUYRKSA-N -1 3 346.430 2.201 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598618543 468934781 /nfs/dbraw/zinc/93/47/81/468934781.db2.gz JJIGMFDGSVZZGN-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)nc1 ZINC000593548633 469027937 /nfs/dbraw/zinc/02/79/37/469027937.db2.gz PVFGJVIUJVILCG-HNNXBMFYSA-N -1 3 347.396 2.289 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599369531 469231727 /nfs/dbraw/zinc/23/17/27/469231727.db2.gz DRMHNZZDGNPBHZ-UTUOFQBUSA-N -1 3 340.401 2.318 10 5 EEBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)cs1 ZINC000768865606 577564540 /nfs/dbraw/zinc/56/45/40/577564540.db2.gz JSBMJTNKXIDCEU-CYBMUJFWSA-N -1 3 339.398 2.481 10 5 EEBEHM COC(=O)c1[n-]cnc1NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001128847109 1195821915 /nfs/dbraw/zinc/82/19/15/1195821915.db2.gz IPQZGKPTMAZUTA-UHFFFAOYSA-N -1 3 336.329 2.079 10 5 EEBEHM COC(=O)c1nc[n-]c1NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001128847109 1195821918 /nfs/dbraw/zinc/82/19/18/1195821918.db2.gz IPQZGKPTMAZUTA-UHFFFAOYSA-N -1 3 336.329 2.079 10 5 EEBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCCc2c(=O)[n-]cnc21 ZINC001624725259 1352428782 /nfs/dbraw/zinc/42/87/82/1352428782.db2.gz AIMPXBJPUPJBRY-UHFFFAOYSA-N -1 3 346.318 2.142 10 5 EEBEHM CCc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001640595934 1352712169 /nfs/dbraw/zinc/71/21/69/1352712169.db2.gz ZJBXOJVPOIIHJS-LBPRGKRZSA-N -1 3 330.344 2.216 10 5 EEBEHM Cn1c(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1-c1ccccc1 ZINC001642555249 1352733821 /nfs/dbraw/zinc/73/38/21/1352733821.db2.gz RVPFGWMSPKEGIQ-UHFFFAOYSA-N -1 3 340.343 2.146 10 5 EEBEHM C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001647881936 1353406778 /nfs/dbraw/zinc/40/67/78/1353406778.db2.gz JJFXYDCIFIRYGY-YFKPBYRVSA-N -1 3 347.228 2.362 10 5 EEBEHM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001663923522 1355054129 /nfs/dbraw/zinc/05/41/29/1355054129.db2.gz FSJLKQQLPPRCIK-UHFFFAOYSA-N -1 3 346.380 2.470 10 5 EEBEHM COC(=O)Cc1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001125289624 757091528 /nfs/dbraw/zinc/09/15/28/757091528.db2.gz LXDFAIJGASONOO-UHFFFAOYSA-N -1 3 339.304 2.158 10 5 EEBEHM CS(=O)(=O)c1c(F)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001460828613 1110325671 /nfs/dbraw/zinc/32/56/71/1110325671.db2.gz IFHRYTQBBMXKPG-UHFFFAOYSA-N -1 3 344.345 2.451 10 5 EEBEHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OCc1cccnc1 ZINC001466200419 1110431697 /nfs/dbraw/zinc/43/16/97/1110431697.db2.gz GMPWJLPTZJCCBG-UHFFFAOYSA-N -1 3 329.312 2.201 10 5 EEBEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001468756163 1110479702 /nfs/dbraw/zinc/47/97/02/1110479702.db2.gz CIVAZHLPUBRMHY-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001468756163 1110479704 /nfs/dbraw/zinc/47/97/04/1110479704.db2.gz CIVAZHLPUBRMHY-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM Cc1ncc([N+](=O)[O-])n1Cc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000346609663 161385796 /nfs/dbraw/zinc/38/57/96/161385796.db2.gz PPPYBMKRVCSRIJ-UHFFFAOYSA-N -1 3 331.357 2.347 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CSCC3)n1 ZINC000341552257 312261800 /nfs/dbraw/zinc/26/18/00/312261800.db2.gz DUAXSPGKRJMBND-UHFFFAOYSA-N -1 3 339.402 2.309 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2c(n1)CCCC2 ZINC000515300717 316477082 /nfs/dbraw/zinc/47/70/82/316477082.db2.gz XUTTVFGXRWVRGW-UHFFFAOYSA-N -1 3 347.396 2.400 10 5 EEBEHM CN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000520586885 316868940 /nfs/dbraw/zinc/86/89/40/316868940.db2.gz NSHXDYFHVXGQEZ-JTQLQIEISA-N -1 3 327.768 2.120 10 5 EEBEHM Cc1cccnc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000296292068 465145216 /nfs/dbraw/zinc/14/52/16/465145216.db2.gz ZGIZPQVRGSBSTG-UHFFFAOYSA-N -1 3 335.385 2.128 10 5 EEBEHM Cc1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000135555013 463173910 /nfs/dbraw/zinc/17/39/10/463173910.db2.gz LNAUDJOZZAWBDT-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000135555013 463173914 /nfs/dbraw/zinc/17/39/14/463173914.db2.gz LNAUDJOZZAWBDT-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1CCCC[C@@H]1C ZINC000058561960 463608872 /nfs/dbraw/zinc/60/88/72/463608872.db2.gz NYOHXKRBKUKAAW-ZDUSSCGKSA-N -1 3 341.433 2.056 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC(C)(C)O1 ZINC000188748167 464359738 /nfs/dbraw/zinc/35/97/38/464359738.db2.gz OGKIGPXICGFQLR-LLVKDONJSA-N -1 3 328.390 2.139 10 5 EEBEHM CN(C)CCOc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000351876654 465412036 /nfs/dbraw/zinc/41/20/36/465412036.db2.gz LIGAATQDFOTJOJ-UHFFFAOYSA-N -1 3 345.355 2.493 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C1CC1)C1CC1 ZINC000595363886 468825770 /nfs/dbraw/zinc/82/57/70/468825770.db2.gz LAEIDKUFWQSLOX-UHFFFAOYSA-N -1 3 340.401 2.460 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C(C)C)C1CC1 ZINC000595363596 468825985 /nfs/dbraw/zinc/82/59/85/468825985.db2.gz HWXFKHINHXIBTB-CYBMUJFWSA-N -1 3 328.390 2.316 10 5 EEBEHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601387260 468852950 /nfs/dbraw/zinc/85/29/50/468852950.db2.gz RKTCPSDFWTWYSN-ZJUUUORDSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601388979 468853565 /nfs/dbraw/zinc/85/35/65/468853565.db2.gz BIHOEUVGXRYIFQ-AAEUAGOBSA-N -1 3 346.430 2.201 10 5 EEBEHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC000601425042 468867975 /nfs/dbraw/zinc/86/79/75/468867975.db2.gz LCOXCGCRYZCHNP-WPRPVWTQSA-N -1 3 336.435 2.304 10 5 EEBEHM COc1cc(CC2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000596156622 469179281 /nfs/dbraw/zinc/17/92/81/469179281.db2.gz QPMLMIOIRSUPDS-UHFFFAOYSA-N -1 3 345.355 2.392 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]23C[C@@H]2COC3(C)C)cc1C ZINC000599397270 469241880 /nfs/dbraw/zinc/24/18/80/469241880.db2.gz OKZPSAJTAGFISQ-ABAIWWIYSA-N -1 3 340.401 2.057 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)nc1 ZINC000599412921 469247461 /nfs/dbraw/zinc/24/74/61/469247461.db2.gz SVPVHVADCPJTKX-HNNXBMFYSA-N -1 3 348.384 2.205 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC12CC2 ZINC000599519477 469283182 /nfs/dbraw/zinc/28/31/82/469283182.db2.gz CBCVDJXFKXKRLT-LLVKDONJSA-N -1 3 340.401 2.462 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000599520346 469283324 /nfs/dbraw/zinc/28/33/24/469283324.db2.gz KFUUJNPHUIQJIL-NSHDSACASA-N -1 3 340.401 2.462 10 5 EEBEHM CCOC(=O)c1cc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)cc1C ZINC001612661709 1352310696 /nfs/dbraw/zinc/31/06/96/1352310696.db2.gz REEAQJPKFJTKSX-LLVKDONJSA-N -1 3 348.359 2.004 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC001557312818 1342445986 /nfs/dbraw/zinc/44/59/86/1342445986.db2.gz DZZJUUYTQCDFJL-UHFFFAOYSA-N -1 3 334.307 2.203 10 5 EEBEHM O=c1cc(N2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)nc[n-]1 ZINC001655927277 1354190166 /nfs/dbraw/zinc/19/01/66/1354190166.db2.gz RDWRFQGPJVYNBI-JTQLQIEISA-N -1 3 335.751 2.435 10 5 EEBEHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001454970357 1108053217 /nfs/dbraw/zinc/05/32/17/1108053217.db2.gz JXHBSCAIYZUDOW-UHFFFAOYSA-N -1 3 330.197 2.381 10 5 EEBEHM CC1CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001543918597 1124136488 /nfs/dbraw/zinc/13/64/88/1124136488.db2.gz SVDZFZJDWULPRC-UHFFFAOYSA-N -1 3 341.795 2.416 10 5 EEBEHM O=C(NC/C=C\CNCc1csc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001568818782 1124837219 /nfs/dbraw/zinc/83/72/19/1124837219.db2.gz YTZDIBKKKBJFAW-ARJAWSKDSA-N -1 3 347.396 2.438 10 5 EEBEHM COC[C@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183550519 235135434 /nfs/dbraw/zinc/13/54/34/235135434.db2.gz WGZFJTUVXAXUHC-SECBINFHSA-N -1 3 336.797 2.117 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)c1 ZINC000183680743 235195793 /nfs/dbraw/zinc/19/57/93/235195793.db2.gz SDPGBYSANJHQJE-GXSJLCMTSA-N -1 3 348.808 2.138 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280901669 274607817 /nfs/dbraw/zinc/60/78/17/274607817.db2.gz DWQRLGKSXJTQLI-LLVKDONJSA-N -1 3 331.376 2.255 10 5 EEBEHM COC(=O)CCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289733770 275143942 /nfs/dbraw/zinc/14/39/42/275143942.db2.gz KRUFKCYBJKZOIR-UHFFFAOYSA-N -1 3 331.712 2.255 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCc2cc(N)ccc21 ZINC000325392385 311602257 /nfs/dbraw/zinc/60/22/57/311602257.db2.gz MWPUXYMRCNIDIA-AWEZNQCLSA-N -1 3 347.396 2.451 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@]1(C)C(C)C ZINC000416549142 313254094 /nfs/dbraw/zinc/25/40/94/313254094.db2.gz OHNJYTBOMILOOQ-UONOGXRCSA-N -1 3 328.390 2.316 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1sccc1C ZINC000028324634 463223368 /nfs/dbraw/zinc/22/33/68/463223368.db2.gz TWNQAHUJFQNFLD-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM CCOc1ccc(C(=O)[N-]c2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000457144071 467765805 /nfs/dbraw/zinc/76/58/05/467765805.db2.gz IZQRGBTZMCUYKT-UHFFFAOYSA-N -1 3 331.332 2.174 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)c1ccccn1 ZINC000594794263 468688190 /nfs/dbraw/zinc/68/81/90/468688190.db2.gz GGPQYQMOYCMEEF-GFCCVEGCSA-N -1 3 335.385 2.380 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601369583 468845185 /nfs/dbraw/zinc/84/51/85/468845185.db2.gz GWXZZOVNVDGDFZ-WCBMZHEXSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601394436 468857116 /nfs/dbraw/zinc/85/71/16/468857116.db2.gz UBDVTQXMCARQBT-GHMZBOCLSA-N -1 3 346.430 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)c([N+](=O)[O-])s1 ZINC000601398132 468857697 /nfs/dbraw/zinc/85/76/97/468857697.db2.gz ACFVXQSKEJCJEX-SNVBAGLBSA-N -1 3 347.462 2.117 10 5 EEBEHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601431210 468869839 /nfs/dbraw/zinc/86/98/39/468869839.db2.gz HWTAKMZESOPJBC-LDYMZIIASA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)c1ccncc1 ZINC000610518526 468992751 /nfs/dbraw/zinc/99/27/51/468992751.db2.gz XSZCNOYKCMJJSS-GFCCVEGCSA-N -1 3 335.385 2.380 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)nc1 ZINC000593551810 469031207 /nfs/dbraw/zinc/03/12/07/469031207.db2.gz FMNNQQVKHUHNSK-CHWSQXEVSA-N -1 3 325.390 2.237 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000593556712 469033942 /nfs/dbraw/zinc/03/39/42/469033942.db2.gz MPHMBUZARIWEJV-NWDGAFQWSA-N -1 3 335.385 2.460 10 5 EEBEHM O=c1[n-]ccc(NCc2ccc(CN3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000596061266 469134258 /nfs/dbraw/zinc/13/42/58/469134258.db2.gz IDGRECAROFXQRR-UHFFFAOYSA-N -1 3 344.371 2.140 10 5 EEBEHM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000866166681 1201452952 /nfs/dbraw/zinc/45/29/52/1201452952.db2.gz IVZJUGONRCGMER-VIFPVBQESA-N -1 3 340.286 2.177 10 5 EEBEHM Cc1cc([C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC001558568704 1342482825 /nfs/dbraw/zinc/48/28/25/1342482825.db2.gz CVLNMHTYSYUNDW-LBPRGKRZSA-N -1 3 331.332 2.094 10 5 EEBEHM CC(C)n1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC001584918950 1348771918 /nfs/dbraw/zinc/77/19/18/1348771918.db2.gz LPPLODKNPCYIGJ-UHFFFAOYSA-N -1 3 342.262 2.016 10 5 EEBEHM COC(=O)c1cc(NC(=O)Cc2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC001629874318 1352559734 /nfs/dbraw/zinc/55/97/34/1352559734.db2.gz KWGKAKMFFPZGOJ-UHFFFAOYSA-N -1 3 348.286 2.407 10 5 EEBEHM O=c1[n-]ccc(NCCc2ccccc2N2CCOCC2)c1[N+](=O)[O-] ZINC001652002153 1354072675 /nfs/dbraw/zinc/07/26/75/1354072675.db2.gz RIGQALHSVBNDCC-UHFFFAOYSA-N -1 3 344.371 2.187 10 5 EEBEHM Nc1ncc(Br)cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655464910 1354174707 /nfs/dbraw/zinc/17/47/07/1354174707.db2.gz PIOIUNKRWUDDLH-UHFFFAOYSA-N -1 3 340.137 2.047 10 5 EEBEHM CSc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001452729712 1105665452 /nfs/dbraw/zinc/66/54/52/1105665452.db2.gz SKMKLGIKELGBHF-JTQLQIEISA-N -1 3 348.384 2.375 10 5 EEBEHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cnsn2)cc1SC ZINC001531928060 1122607802 /nfs/dbraw/zinc/60/78/02/1122607802.db2.gz HAQFFXOAJQXTEF-UHFFFAOYSA-N -1 3 326.359 2.429 10 5 EEBEHM COC1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000427252118 241397955 /nfs/dbraw/zinc/39/79/55/241397955.db2.gz FTVUSAZHFXZMGL-UHFFFAOYSA-N -1 3 346.380 2.217 10 5 EEBEHM CC1CCN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000098117627 159250937 /nfs/dbraw/zinc/25/09/37/159250937.db2.gz AQCKYBBLWCOYTL-UHFFFAOYSA-N -1 3 347.462 2.057 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000107703724 159334756 /nfs/dbraw/zinc/33/47/56/159334756.db2.gz JVKVQXDDQSROAJ-UHFFFAOYSA-N -1 3 341.414 2.401 10 5 EEBEHM C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000355282019 163131615 /nfs/dbraw/zinc/13/16/15/163131615.db2.gz PMSSKYMJANFTPL-LLVKDONJSA-N -1 3 330.344 2.202 10 5 EEBEHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000293805262 293299465 /nfs/dbraw/zinc/29/94/65/293299465.db2.gz NQVVVPRNLQIXND-LLVKDONJSA-N -1 3 348.808 2.260 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000030443858 463298650 /nfs/dbraw/zinc/29/86/50/463298650.db2.gz YMRMQRCUSZDJET-UHFFFAOYSA-N -1 3 340.357 2.026 10 5 EEBEHM CC(C)(C)c1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c([O-])c1 ZINC000337651874 465495990 /nfs/dbraw/zinc/49/59/90/465495990.db2.gz KQGIWNVUYKLQNS-UHFFFAOYSA-N -1 3 345.355 2.398 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790574 468686229 /nfs/dbraw/zinc/68/62/29/468686229.db2.gz SVTPBCWKPHVWLU-JTQLQIEISA-N -1 3 347.462 2.116 10 5 EEBEHM CCOC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)C ZINC000601401993 468859256 /nfs/dbraw/zinc/85/92/56/468859256.db2.gz ZITJDBZBWKXIMJ-JTQLQIEISA-N -1 3 336.435 2.304 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])s1 ZINC000601439821 468874710 /nfs/dbraw/zinc/87/47/10/468874710.db2.gz MWXKFRPMQCEBLI-HGNGGELXSA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593535222 469023532 /nfs/dbraw/zinc/02/35/32/469023532.db2.gz TVKMCXSVDQKVKA-GFCCVEGCSA-N -1 3 335.385 2.208 10 5 EEBEHM CCOc1ccc(C(=O)OCc2cc(=O)c([O-])co2)cc1[N+](=O)[O-] ZINC000735965688 578175558 /nfs/dbraw/zinc/17/55/58/578175558.db2.gz TZWOYFFDVQDLGS-UHFFFAOYSA-N -1 3 335.268 2.009 10 5 EEBEHM CC(C)c1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000125526481 692385609 /nfs/dbraw/zinc/38/56/09/692385609.db2.gz XMDZYYJDODYEIP-UHFFFAOYSA-N -1 3 336.373 2.419 10 5 EEBEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127747 1199323668 /nfs/dbraw/zinc/32/36/68/1199323668.db2.gz AWNNNKKVIFYKSL-RKDXNWHRSA-N -1 3 341.249 2.474 10 5 EEBEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127747 1199323675 /nfs/dbraw/zinc/32/36/75/1199323675.db2.gz AWNNNKKVIFYKSL-RKDXNWHRSA-N -1 3 341.249 2.474 10 5 EEBEHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000778005184 1207412933 /nfs/dbraw/zinc/41/29/33/1207412933.db2.gz TZKPZWICVZJVNU-NSHDSACASA-N -1 3 344.314 2.391 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC001124079055 1310821318 /nfs/dbraw/zinc/82/13/18/1310821318.db2.gz TVIIKQRHAXOXOE-UHFFFAOYSA-N -1 3 342.286 2.136 10 5 EEBEHM O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001655439049 1354173213 /nfs/dbraw/zinc/17/32/13/1354173213.db2.gz FHDSRYHVGGMDJC-MRVPVSSYSA-N -1 3 342.281 2.116 10 5 EEBEHM O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001655439049 1354173214 /nfs/dbraw/zinc/17/32/14/1354173214.db2.gz FHDSRYHVGGMDJC-MRVPVSSYSA-N -1 3 342.281 2.116 10 5 EEBEHM CC(C)n1cnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000846350498 790143176 /nfs/dbraw/zinc/14/31/76/790143176.db2.gz HEDJXMDGRQEXSK-UHFFFAOYSA-N -1 3 333.333 2.024 10 5 EEBEHM Cn1cc(-c2ccnc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])n2)cn1 ZINC001129460932 810865851 /nfs/dbraw/zinc/86/58/51/810865851.db2.gz MLRDADZHYAFKCY-UHFFFAOYSA-N -1 3 342.290 2.177 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2nccnc2Cl)cc([N+](=O)[O-])c1 ZINC001465394827 1110416496 /nfs/dbraw/zinc/41/64/96/1110416496.db2.gz CMMIIJHAWRDWJD-UHFFFAOYSA-N -1 3 336.691 2.077 10 5 EEBEHM O=C([N-]c1nc2cnccn2n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001535293035 1123550502 /nfs/dbraw/zinc/55/05/02/1123550502.db2.gz DUORSXYMDFBLSB-UHFFFAOYSA-N -1 3 340.324 2.500 10 5 EEBEHM COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1C ZINC000066001526 215003241 /nfs/dbraw/zinc/00/32/41/215003241.db2.gz SHSCJQQQGNRPFY-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM O=[N+]([O-])c1c([N-]c2cccnc2)ncnc1-n1nnc2ccccc21 ZINC000040628635 213361433 /nfs/dbraw/zinc/36/14/33/213361433.db2.gz QTZDCMICVHEDHB-UHFFFAOYSA-N -1 3 334.299 2.257 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CF)CCOCC2)c1C ZINC000451740906 243239351 /nfs/dbraw/zinc/23/93/51/243239351.db2.gz ZXPURSLGTNKBAU-UHFFFAOYSA-N -1 3 346.380 2.009 10 5 EEBEHM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000343463891 161138642 /nfs/dbraw/zinc/13/86/42/161138642.db2.gz FNSDVJYDTNOQHB-UHFFFAOYSA-N -1 3 347.443 2.462 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2OC(F)F)n1 ZINC000355626100 163252784 /nfs/dbraw/zinc/25/27/84/163252784.db2.gz PBQBZSVYJLBVEZ-UHFFFAOYSA-N -1 3 330.222 2.321 10 5 EEBEHM Cc1nc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000155213610 292537733 /nfs/dbraw/zinc/53/77/33/292537733.db2.gz WFGKTLRRVJTFCF-UHFFFAOYSA-N -1 3 341.414 2.288 10 5 EEBEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000289416507 275114718 /nfs/dbraw/zinc/11/47/18/275114718.db2.gz BLVUUFJFKYANLW-BDAKNGLRSA-N -1 3 336.797 2.258 10 5 EEBEHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000170735171 311394947 /nfs/dbraw/zinc/39/49/47/311394947.db2.gz GEPMCNIUOUJSOR-NSHDSACASA-N -1 3 342.398 2.322 10 5 EEBEHM Cc1cccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1[N+](=O)[O-] ZINC000119515165 462906932 /nfs/dbraw/zinc/90/69/32/462906932.db2.gz RZYJIZZNGRFPHU-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1cccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1[N+](=O)[O-] ZINC000119515165 462906937 /nfs/dbraw/zinc/90/69/37/462906937.db2.gz RZYJIZZNGRFPHU-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cn1ccnc1-c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000119612366 462916416 /nfs/dbraw/zinc/91/64/16/462916416.db2.gz VTJJTNDLQRFIQF-UHFFFAOYSA-N -1 3 340.343 2.290 10 5 EEBEHM Cn1ccnc1-c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)[n-]n1 ZINC000119612366 462916418 /nfs/dbraw/zinc/91/64/18/462916418.db2.gz VTJJTNDLQRFIQF-UHFFFAOYSA-N -1 3 340.343 2.290 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000590758259 468329972 /nfs/dbraw/zinc/32/99/72/468329972.db2.gz RXFVCQUTBIQVKK-UHFFFAOYSA-N -1 3 338.332 2.317 10 5 EEBEHM COc1cc(CNCc2c3c(nn2C)CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000361060702 465738424 /nfs/dbraw/zinc/73/84/24/465738424.db2.gz NLBCTFOSDIHDTB-UHFFFAOYSA-N -1 3 346.387 2.211 10 5 EEBEHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000338418503 466110760 /nfs/dbraw/zinc/11/07/60/466110760.db2.gz BXNRAMULMDIXAK-JTQLQIEISA-N -1 3 336.822 2.421 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594794693 468688924 /nfs/dbraw/zinc/68/89/24/468688924.db2.gz JKXFKCNUGSOBID-SECBINFHSA-N -1 3 341.414 2.442 10 5 EEBEHM COc1cc(C(=O)[N-]c2nnc(C3CC3)n2C)c([N+](=O)[O-])cc1F ZINC000597897407 468705750 /nfs/dbraw/zinc/70/57/50/468705750.db2.gz MJMUUZKUVXEPFM-UHFFFAOYSA-N -1 3 335.295 2.001 10 5 EEBEHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601366662 468843057 /nfs/dbraw/zinc/84/30/57/468843057.db2.gz FULMHGWNUXIXGK-NSHDSACASA-N -1 3 347.462 2.117 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000601379061 468849912 /nfs/dbraw/zinc/84/99/12/468849912.db2.gz RWKGDYOKWJVHJY-NXEZZACHSA-N -1 3 334.419 2.201 10 5 EEBEHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593521659 469014469 /nfs/dbraw/zinc/01/44/69/469014469.db2.gz DHPVBAJNZJNURM-LBPRGKRZSA-N -1 3 335.385 2.289 10 5 EEBEHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593542468 469026168 /nfs/dbraw/zinc/02/61/68/469026168.db2.gz HZWOMZIUEYILMN-UHFFFAOYSA-N -1 3 347.396 2.388 10 5 EEBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000593568097 469039735 /nfs/dbraw/zinc/03/97/35/469039735.db2.gz SSVNUSULZKOHNQ-UHFFFAOYSA-N -1 3 327.406 2.485 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)nc1 ZINC000593591263 469048973 /nfs/dbraw/zinc/04/89/73/469048973.db2.gz HRCBCHUPHRUOAS-UHFFFAOYSA-N -1 3 335.332 2.094 10 5 EEBEHM Cn1[n-]c([C@@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])nc1=N ZINC000596252787 469222653 /nfs/dbraw/zinc/22/26/53/469222653.db2.gz RNUWUUOWLMEDFN-LBPRGKRZSA-N -1 3 339.359 2.026 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c1C ZINC000599363841 469228970 /nfs/dbraw/zinc/22/89/70/469228970.db2.gz GHCZGCDXUWDVQJ-CYBMUJFWSA-N -1 3 342.417 2.307 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599459274 469265103 /nfs/dbraw/zinc/26/51/03/469265103.db2.gz GFYWVENIVPNZMB-LOKDSWTASA-N -1 3 348.808 2.338 10 5 EEBEHM CC1(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000599472986 469269126 /nfs/dbraw/zinc/26/91/26/469269126.db2.gz VGUMHROMWCBEFF-UHFFFAOYSA-N -1 3 326.374 2.023 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)cc1C ZINC000599481664 469271472 /nfs/dbraw/zinc/27/14/72/469271472.db2.gz HFJPBJSBTOAYDY-JSGCOSHPSA-N -1 3 340.401 2.057 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2-n2cccn2)n1 ZINC000756686365 577848553 /nfs/dbraw/zinc/84/85/53/577848553.db2.gz NFABMHWEDUBMKN-UHFFFAOYSA-N -1 3 344.306 2.388 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3c(=O)[n-]cnc32)c1C ZINC001132783782 1200024288 /nfs/dbraw/zinc/02/42/88/1200024288.db2.gz VIOCVGWETZAIJL-UHFFFAOYSA-N -1 3 328.328 2.300 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCSC2)c(F)c1 ZINC000867574907 1201636361 /nfs/dbraw/zinc/63/63/61/1201636361.db2.gz AGIAGXUUJAZZTP-SECBINFHSA-N -1 3 334.394 2.155 10 5 EEBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CC2)Oc2ccccc21 ZINC001180160030 800300640 /nfs/dbraw/zinc/30/06/40/800300640.db2.gz BXUAYRLOBHZUTG-UHFFFAOYSA-N -1 3 327.296 2.267 10 5 EEBEHM Cc1cccc(Nc2[n-]cnc(=NN3CCN(C)CC3)c2[N+](=O)[O-])c1 ZINC000040623549 213360215 /nfs/dbraw/zinc/36/02/15/213360215.db2.gz ZKNLRRCGIFBMAI-UHFFFAOYSA-N -1 3 343.391 2.011 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000451961378 243326569 /nfs/dbraw/zinc/32/65/69/243326569.db2.gz SESNIJQRAKRKQO-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM COc1cc(NCc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])cc1F ZINC000359712970 164157530 /nfs/dbraw/zinc/15/75/30/164157530.db2.gz LNMZZQJGPQGOJU-UHFFFAOYSA-N -1 3 335.217 2.492 10 5 EEBEHM COc1cc(NCc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])cc1F ZINC000359712970 164157532 /nfs/dbraw/zinc/15/75/32/164157532.db2.gz LNMZZQJGPQGOJU-UHFFFAOYSA-N -1 3 335.217 2.492 10 5 EEBEHM COc1cc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])cc1F ZINC000359712970 164157534 /nfs/dbraw/zinc/15/75/34/164157534.db2.gz LNMZZQJGPQGOJU-UHFFFAOYSA-N -1 3 335.217 2.492 10 5 EEBEHM O=[N+]([O-])c1cc(Br)cnc1NCc1ncccc1[O-] ZINC000359899902 164193724 /nfs/dbraw/zinc/19/37/24/164193724.db2.gz LYIQGGHTBGQSQH-UHFFFAOYSA-N -1 3 325.122 2.465 10 5 EEBEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000360651360 164358665 /nfs/dbraw/zinc/35/86/65/164358665.db2.gz GWDQUOOEWNTJFI-UHFFFAOYSA-N -1 3 333.416 2.208 10 5 EEBEHM CN1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000272704547 269011379 /nfs/dbraw/zinc/01/13/79/269011379.db2.gz VQPNOZDYIZBQHT-SJORKVTESA-N -1 3 341.367 2.476 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC1(C)C ZINC000175684350 464600768 /nfs/dbraw/zinc/60/07/68/464600768.db2.gz STYPLJOMAKDZKO-ZDUSSCGKSA-N -1 3 328.390 2.460 10 5 EEBEHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])OC ZINC000601425039 468868152 /nfs/dbraw/zinc/86/81/52/468868152.db2.gz LCOXCGCRYZCHNP-PSASIEDQSA-N -1 3 336.435 2.304 10 5 EEBEHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601441492 468875118 /nfs/dbraw/zinc/87/51/18/468875118.db2.gz HVELMZIBHSNYCL-SECBINFHSA-N -1 3 334.419 2.201 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000610504738 468988242 /nfs/dbraw/zinc/98/82/42/468988242.db2.gz PJLRJFALIKHJAG-UHFFFAOYSA-N -1 3 346.748 2.328 10 5 EEBEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599397928 469243610 /nfs/dbraw/zinc/24/36/10/469243610.db2.gz VLHBQLJDMUSSNF-ISVAXAHUSA-N -1 3 346.792 2.094 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856750738 1293620826 /nfs/dbraw/zinc/62/08/26/1293620826.db2.gz SZUXZQBBOOQQPF-QMMMGPOBSA-N -1 3 339.200 2.457 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])cc(F)c1Cl ZINC001606887277 1351370012 /nfs/dbraw/zinc/37/00/12/1351370012.db2.gz WVFHQTCKIFGBEE-UHFFFAOYSA-N -1 3 342.670 2.149 10 5 EEBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001628215185 1352525821 /nfs/dbraw/zinc/52/58/21/1352525821.db2.gz RHKDINPTTCSDQT-UHFFFAOYSA-N -1 3 342.267 2.158 10 5 EEBEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001642173327 1352728433 /nfs/dbraw/zinc/72/84/33/1352728433.db2.gz MSXHKZCIKMTFHN-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001642173327 1352728434 /nfs/dbraw/zinc/72/84/34/1352728434.db2.gz MSXHKZCIKMTFHN-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM COc1ccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1[N+](=O)[O-] ZINC001136337312 785924573 /nfs/dbraw/zinc/92/45/73/785924573.db2.gz CLRZRZCKINYZEM-UHFFFAOYSA-N -1 3 344.323 2.442 10 5 EEBEHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC001129639691 810939545 /nfs/dbraw/zinc/93/95/45/810939545.db2.gz RBLUUHZZYAGTKO-UHFFFAOYSA-N -1 3 332.291 2.361 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000451958787 243325502 /nfs/dbraw/zinc/32/55/02/243325502.db2.gz MDURKGXYMDQBIQ-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000190171098 160155567 /nfs/dbraw/zinc/15/55/67/160155567.db2.gz IFGKETBQYHBPNM-LBPRGKRZSA-N -1 3 342.417 2.448 10 5 EEBEHM CCC[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCOC1 ZINC000352344901 162097007 /nfs/dbraw/zinc/09/70/07/162097007.db2.gz HLTZFHDJEUPOIS-GFCCVEGCSA-N -1 3 334.419 2.202 10 5 EEBEHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352393854 162118460 /nfs/dbraw/zinc/11/84/60/162118460.db2.gz DDPSMCFXHIJICJ-UHFFFAOYSA-N -1 3 345.402 2.475 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CCCc2nccs2)cc1[N+](=O)[O-] ZINC000352733472 162265241 /nfs/dbraw/zinc/26/52/41/162265241.db2.gz ICOSBTMLQFMESB-UHFFFAOYSA-N -1 3 347.443 2.332 10 5 EEBEHM CCOc1ccc(C(=O)[N-]c2nc3ccccn3n2)cc1[N+](=O)[O-] ZINC000182450022 323374730 /nfs/dbraw/zinc/37/47/30/323374730.db2.gz UYFQBKHEHFSXPR-UHFFFAOYSA-N -1 3 327.300 2.289 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000582903357 324554239 /nfs/dbraw/zinc/55/42/39/324554239.db2.gz XKPSCSMULHAGHG-UHFFFAOYSA-N -1 3 334.419 2.060 10 5 EEBEHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327432 462874686 /nfs/dbraw/zinc/87/46/86/462874686.db2.gz LWYZWVUXKUTKBI-LLVKDONJSA-N -1 3 347.462 2.199 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]Cc2ccccn2)c1 ZINC000095986246 463129621 /nfs/dbraw/zinc/12/96/21/463129621.db2.gz HDUVHGDAYBXVEW-UHFFFAOYSA-N -1 3 341.776 2.430 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)s1 ZINC000056079093 463375414 /nfs/dbraw/zinc/37/54/14/463375414.db2.gz AIZCGCMOHWEDLB-UHFFFAOYSA-N -1 3 342.398 2.452 10 5 EEBEHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)sc1C(=O)OC ZINC000533535748 468209741 /nfs/dbraw/zinc/20/97/41/468209741.db2.gz AWCLQIDAAJTYDW-UHFFFAOYSA-N -1 3 336.329 2.048 10 5 EEBEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595391330 468836190 /nfs/dbraw/zinc/83/61/90/468836190.db2.gz BZAKHESNVYNNFW-SECBINFHSA-N -1 3 348.808 2.342 10 5 EEBEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595391331 468836679 /nfs/dbraw/zinc/83/66/79/468836679.db2.gz BZAKHESNVYNNFW-VIFPVBQESA-N -1 3 348.808 2.342 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601371730 468846298 /nfs/dbraw/zinc/84/62/98/468846298.db2.gz PJSGJQFWQVLBFL-GMTAPVOTSA-N -1 3 346.430 2.201 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c([N+](=O)[O-])s1 ZINC000601416855 468865539 /nfs/dbraw/zinc/86/55/39/468865539.db2.gz AVXFWRAXPGVYHA-SECBINFHSA-N -1 3 336.460 2.386 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC1CCC1 ZINC000601512541 468902218 /nfs/dbraw/zinc/90/22/18/468902218.db2.gz RNUXWUQUNAYXBU-JTQLQIEISA-N -1 3 328.390 2.460 10 5 EEBEHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000599434004 469255824 /nfs/dbraw/zinc/25/58/24/469255824.db2.gz OUMVHRZQHAGETM-UHFFFAOYSA-N -1 3 345.327 2.467 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)n1 ZINC000191590239 529155321 /nfs/dbraw/zinc/15/53/21/529155321.db2.gz ALSWQLMUHUXQKW-UHFFFAOYSA-N -1 3 335.345 2.039 10 5 EEBEHM Cc1c(Cl)cccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000125548705 692584653 /nfs/dbraw/zinc/58/46/53/692584653.db2.gz SJNOIQTYQYHVGG-UHFFFAOYSA-N -1 3 342.764 2.257 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C ZINC001556301807 1342426936 /nfs/dbraw/zinc/42/69/36/1342426936.db2.gz VQPPVLKPQNSVOG-UHFFFAOYSA-N -1 3 343.265 2.279 10 5 EEBEHM CSc1cccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC001634392049 1352626771 /nfs/dbraw/zinc/62/67/71/1352626771.db2.gz SOJQQKCOTFPAGQ-UHFFFAOYSA-N -1 3 346.368 2.277 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)c2ncnc(SCCc3nnn[n-]3)c2c1 ZINC001640057435 1352705557 /nfs/dbraw/zinc/70/55/57/1352705557.db2.gz RMOPYHOWDOMGLB-UHFFFAOYSA-N -1 3 337.752 2.039 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)c2ncnc(SCCc3nn[n-]n3)c2c1 ZINC001640057435 1352705558 /nfs/dbraw/zinc/70/55/58/1352705558.db2.gz RMOPYHOWDOMGLB-UHFFFAOYSA-N -1 3 337.752 2.039 10 5 EEBEHM Cc1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001643834640 1352753565 /nfs/dbraw/zinc/75/35/65/1352753565.db2.gz DNGQKLREIUUYSV-UHFFFAOYSA-N -1 3 328.328 2.206 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001652275152 1354084760 /nfs/dbraw/zinc/08/47/60/1354084760.db2.gz MWMWQIMZEQFIDZ-UHFFFAOYSA-N -1 3 329.360 2.480 10 5 EEBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001438687402 1091187871 /nfs/dbraw/zinc/18/78/71/1091187871.db2.gz RGERATNPUQRAOX-UHFFFAOYSA-N -1 3 344.327 2.082 10 5 EEBEHM CNc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(OC)nsc1OC ZINC001469378970 1110490132 /nfs/dbraw/zinc/49/01/32/1110490132.db2.gz IPSIXYZYLIWZBY-UHFFFAOYSA-N -1 3 338.345 2.363 10 5 EEBEHM C[C@](CO)(NC(=O)Cc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001471124963 1110517831 /nfs/dbraw/zinc/51/78/31/1110517831.db2.gz RYVAWPKTEAEABI-QGZVFWFLSA-N -1 3 348.330 2.006 10 5 EEBEHM CO[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000050373815 214054673 /nfs/dbraw/zinc/05/46/73/214054673.db2.gz PCKAALPSAGXEAI-MNOVXSKESA-N -1 3 334.781 2.094 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C)CCCC1 ZINC000066581305 215056666 /nfs/dbraw/zinc/05/66/66/215056666.db2.gz FGYAFGVPKIJKJF-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM Cc1ccc([O-])c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000092047824 218110290 /nfs/dbraw/zinc/11/02/90/218110290.db2.gz WERHKDJGWFLAMV-UHFFFAOYSA-N -1 3 328.372 2.326 10 5 EEBEHM Cn1cc(CNCc2ncccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355307323 163139954 /nfs/dbraw/zinc/13/99/54/163139954.db2.gz CRQLGSXOZNTQAU-UHFFFAOYSA-N -1 3 339.355 2.386 10 5 EEBEHM Cc1ncc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000119906228 462940279 /nfs/dbraw/zinc/94/02/79/462940279.db2.gz OLFZPBBLAKBNGN-UHFFFAOYSA-N -1 3 341.414 2.455 10 5 EEBEHM O=c1[n-]nc(SCc2csc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000077432058 462983408 /nfs/dbraw/zinc/98/34/08/462983408.db2.gz OIOONYUHWQOJRX-VIFPVBQESA-N -1 3 342.402 2.012 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2CO1 ZINC000219834603 464110508 /nfs/dbraw/zinc/11/05/08/464110508.db2.gz MZDXRBYVHYMFGZ-AWEZNQCLSA-N -1 3 348.380 2.015 10 5 EEBEHM COCC[C@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183624290 464887968 /nfs/dbraw/zinc/88/79/68/464887968.db2.gz GJAJHFWOQVVAKU-VIFPVBQESA-N -1 3 336.797 2.260 10 5 EEBEHM CCN1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000298889673 465535224 /nfs/dbraw/zinc/53/52/24/465535224.db2.gz ZOLBCMWUAIXNCC-UHFFFAOYSA-N -1 3 343.387 2.317 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000451991480 467296957 /nfs/dbraw/zinc/29/69/57/467296957.db2.gz FQVPVCLNKQYVCZ-UHFFFAOYSA-N -1 3 326.374 2.214 10 5 EEBEHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593534572 469021748 /nfs/dbraw/zinc/02/17/48/469021748.db2.gz LZFOEDQYHUBGPP-JOYOIKCWSA-N -1 3 337.357 2.185 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)nc1 ZINC000593578119 469045789 /nfs/dbraw/zinc/04/57/89/469045789.db2.gz LGCRQRWCHVZMQS-LLVKDONJSA-N -1 3 339.398 2.407 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)nc1 ZINC000593608856 469057592 /nfs/dbraw/zinc/05/75/92/469057592.db2.gz RKQJVFUTMSNAQM-YPMHNXCESA-N -1 3 325.390 2.094 10 5 EEBEHM Cn1[n-]c([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)nc1=N ZINC000596253091 469223075 /nfs/dbraw/zinc/22/30/75/469223075.db2.gz WJULQJUEMIDUKL-AWEZNQCLSA-N -1 3 339.359 2.026 10 5 EEBEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451692113 535001090 /nfs/dbraw/zinc/00/10/90/535001090.db2.gz DQLMPALRMFIBSZ-LLVKDONJSA-N -1 3 334.781 2.094 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[C@H](SC)C1 ZINC000742330129 577871207 /nfs/dbraw/zinc/87/12/07/577871207.db2.gz UMFBGWAMHYEXLE-ONGXEEELSA-N -1 3 346.430 2.166 10 5 EEBEHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000866166680 1201452866 /nfs/dbraw/zinc/45/28/66/1201452866.db2.gz IVZJUGONRCGMER-SECBINFHSA-N -1 3 340.286 2.177 10 5 EEBEHM CC(=CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000778963237 1208422107 /nfs/dbraw/zinc/42/21/07/1208422107.db2.gz AMZKRPOBHFROSX-FPLPWBNLSA-N -1 3 330.300 2.146 10 5 EEBEHM O=C([N-]c1nn2cnnc2s1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001557960976 1342461305 /nfs/dbraw/zinc/46/13/05/1342461305.db2.gz SBAPFLSHBULHTA-UHFFFAOYSA-N -1 3 342.699 2.139 10 5 EEBEHM CNc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC001628213403 1352525883 /nfs/dbraw/zinc/52/58/83/1352525883.db2.gz HYYIVXNHKSDRPM-UHFFFAOYSA-N -1 3 345.359 2.106 10 5 EEBEHM O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628245820 1352526871 /nfs/dbraw/zinc/52/68/71/1352526871.db2.gz NLVXWZGJEKUJMD-MRVPVSSYSA-N -1 3 336.735 2.307 10 5 EEBEHM CC(C)(C)c1nnc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001442065465 1096277512 /nfs/dbraw/zinc/27/75/12/1096277512.db2.gz QHDLRCAICRGQNG-UHFFFAOYSA-N -1 3 330.757 2.373 10 5 EEBEHM O=C1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1c1ccccc1F ZINC001472795220 1110563425 /nfs/dbraw/zinc/56/34/25/1110563425.db2.gz UDJCPQHHRFUBFM-SECBINFHSA-N -1 3 332.291 2.052 10 5 EEBEHM Cn1ccc(-c2cc(C(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)no2)n1 ZINC001521920905 1119285042 /nfs/dbraw/zinc/28/50/42/1119285042.db2.gz FLIKFUWXGKXDSU-UHFFFAOYSA-N -1 3 331.263 2.375 10 5 EEBEHM CN1CCCc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000187084154 530065879 /nfs/dbraw/zinc/06/58/79/530065879.db2.gz DIZNPVRCQQBXRO-UHFFFAOYSA-N -1 3 328.328 2.330 10 5 EEBEHM CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273115091 256266831 /nfs/dbraw/zinc/26/68/31/256266831.db2.gz GSILHDCCKRBZKE-UHFFFAOYSA-N -1 3 344.389 2.240 10 5 EEBEHM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000547752016 318318985 /nfs/dbraw/zinc/31/89/85/318318985.db2.gz SUGCGZTVQOCWLH-MRXNPFEDSA-N -1 3 329.356 2.333 10 5 EEBEHM CCc1nc(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000339130559 465099956 /nfs/dbraw/zinc/09/99/56/465099956.db2.gz ZAHSONUCBPBXEU-UHFFFAOYSA-N -1 3 331.376 2.361 10 5 EEBEHM CCc1n[nH]c(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000339130559 465099964 /nfs/dbraw/zinc/09/99/64/465099964.db2.gz ZAHSONUCBPBXEU-UHFFFAOYSA-N -1 3 331.376 2.361 10 5 EEBEHM CCc1nnc(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)[nH]1 ZINC000339130559 465099967 /nfs/dbraw/zinc/09/99/67/465099967.db2.gz ZAHSONUCBPBXEU-UHFFFAOYSA-N -1 3 331.376 2.361 10 5 EEBEHM COc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064241495 462689850 /nfs/dbraw/zinc/68/98/50/462689850.db2.gz SWQCOJYJDRDJQW-UHFFFAOYSA-N -1 3 328.371 2.143 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)C1 ZINC000073636947 463636694 /nfs/dbraw/zinc/63/66/94/463636694.db2.gz XYGVSCDGSDXIIM-WDEREUQCSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@]2(C)CCOC2)c1 ZINC000272406390 464595775 /nfs/dbraw/zinc/59/57/75/464595775.db2.gz BRGYDEXAXRGIPQ-GFCCVEGCSA-N -1 3 334.781 2.014 10 5 EEBEHM COC1CCC(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000427280996 467148057 /nfs/dbraw/zinc/14/80/57/467148057.db2.gz OTZBBCXWYACEGI-UHFFFAOYSA-N -1 3 342.417 2.387 10 5 EEBEHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601434628 468872096 /nfs/dbraw/zinc/87/20/96/468872096.db2.gz IJWDEUXZBHWMQG-UHFFFAOYSA-N -1 3 336.435 2.448 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000601500549 468895981 /nfs/dbraw/zinc/89/59/81/468895981.db2.gz YNLMAYJEEDUFRK-GRYCIOLGSA-N -1 3 328.390 2.056 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601513560 468903005 /nfs/dbraw/zinc/90/30/05/468903005.db2.gz FBFMFERSJFYOBA-ZFWWWQNUSA-N -1 3 340.401 2.221 10 5 EEBEHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000609571741 469941782 /nfs/dbraw/zinc/94/17/82/469941782.db2.gz TWCSXSWBBVBWKM-VIFPVBQESA-N -1 3 344.418 2.473 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](SC)C1 ZINC000742330128 577871184 /nfs/dbraw/zinc/87/11/84/577871184.db2.gz UMFBGWAMHYEXLE-MWLCHTKSSA-N -1 3 346.430 2.166 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCSC2)c(F)cc1[N+](=O)[O-] ZINC000867573688 1201635993 /nfs/dbraw/zinc/63/59/93/1201635993.db2.gz MBBBPKLWSIYHLR-SNVBAGLBSA-N -1 3 348.421 2.464 10 5 EEBEHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188228534 160119563 /nfs/dbraw/zinc/11/95/63/160119563.db2.gz IGEDXMGECLESEC-GHMZBOCLSA-N -1 3 347.462 2.055 10 5 EEBEHM CCC(CC)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)OC ZINC000291947683 275356805 /nfs/dbraw/zinc/35/68/05/275356805.db2.gz NXIZSHCZFNTVQU-UHFFFAOYSA-N -1 3 346.405 2.087 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C ZINC000443247764 315235562 /nfs/dbraw/zinc/23/55/62/315235562.db2.gz LXZHDDHLQFSQDJ-HNNXBMFYSA-N -1 3 344.433 2.369 10 5 EEBEHM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1ccc([N+](=O)[O-])cn1 ZINC000531878393 317826007 /nfs/dbraw/zinc/82/60/07/317826007.db2.gz XVTDKNOYKKWENF-UHFFFAOYSA-N -1 3 330.275 2.266 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000185201426 463775924 /nfs/dbraw/zinc/77/59/24/463775924.db2.gz FUSREHAZDBZCNE-JTQLQIEISA-N -1 3 346.380 2.136 10 5 EEBEHM C[C@](O)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000190371538 464630635 /nfs/dbraw/zinc/63/06/35/464630635.db2.gz SBSHJBXJEVTHFQ-HNNXBMFYSA-N -1 3 342.417 2.204 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC2(C)C)cc1C ZINC000295171424 464731747 /nfs/dbraw/zinc/73/17/47/464731747.db2.gz ANFDMKJJCYLFFS-ZDUSSCGKSA-N -1 3 328.390 2.057 10 5 EEBEHM CC(C)CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000282899375 464993544 /nfs/dbraw/zinc/99/35/44/464993544.db2.gz ARAMTBZHYSQNTG-UHFFFAOYSA-N -1 3 335.404 2.493 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000340090207 465757790 /nfs/dbraw/zinc/75/77/90/465757790.db2.gz GQRXUTISZLTBOP-HNNXBMFYSA-N -1 3 333.369 2.419 10 5 EEBEHM CCCN(CCC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000531344407 468046226 /nfs/dbraw/zinc/04/62/26/468046226.db2.gz BRJVPGOASVHOKM-UHFFFAOYSA-N -1 3 331.394 2.382 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592067807 468610896 /nfs/dbraw/zinc/61/08/96/468610896.db2.gz RWADTHAGHVGKKJ-UHFFFAOYSA-N -1 3 348.808 2.343 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1C(C)(C)C1(F)F ZINC000595351332 468821675 /nfs/dbraw/zinc/82/16/75/468821675.db2.gz RKYDJIIPHLCFFE-JTQLQIEISA-N -1 3 334.344 2.473 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC000601356224 468838205 /nfs/dbraw/zinc/83/82/05/468838205.db2.gz KCMWKRRPZQMQFP-IEBDPFPHSA-N -1 3 346.430 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601386205 468853249 /nfs/dbraw/zinc/85/32/49/468853249.db2.gz YOYZLNKKFQRMQN-MNOVXSKESA-N -1 3 348.446 2.447 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC12CC2 ZINC000601481864 468891141 /nfs/dbraw/zinc/89/11/41/468891141.db2.gz KIQGUFZEXJEOSU-CYBMUJFWSA-N -1 3 326.374 2.214 10 5 EEBEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nccs1 ZINC000593558947 469034464 /nfs/dbraw/zinc/03/44/64/469034464.db2.gz WYEGXCNBVQMMHM-GFCCVEGCSA-N -1 3 342.402 2.050 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000593568631 469040044 /nfs/dbraw/zinc/04/00/44/469040044.db2.gz WKLZHSROBYDQJT-NSHDSACASA-N -1 3 340.361 2.024 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)cc1C ZINC000599481666 469271361 /nfs/dbraw/zinc/27/13/61/469271361.db2.gz HFJPBJSBTOAYDY-TZMCWYRMSA-N -1 3 340.401 2.057 10 5 EEBEHM CC(=CC(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000752774805 577775945 /nfs/dbraw/zinc/77/59/45/577775945.db2.gz DXVQGBSIGPIRDJ-FLIBITNWSA-N -1 3 340.339 2.079 10 5 EEBEHM COC(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)c[n-]1 ZINC000814531923 1199565973 /nfs/dbraw/zinc/56/59/73/1199565973.db2.gz OEEUXBJEJDVUBV-UHFFFAOYSA-N -1 3 334.284 2.075 10 5 EEBEHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001132783901 1200024653 /nfs/dbraw/zinc/02/46/53/1200024653.db2.gz ZMTNVVQVXGUIKE-UHFFFAOYSA-N -1 3 332.291 2.131 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCSC2)c([N+](=O)[O-])s1 ZINC000867572979 1201636085 /nfs/dbraw/zinc/63/60/85/1201636085.db2.gz AWHDBWMTKNRRMX-SECBINFHSA-N -1 3 336.460 2.386 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nn(C(C)C)cc2Cl)n1 ZINC001616800408 1352332353 /nfs/dbraw/zinc/33/23/53/1352332353.db2.gz DSTKGMNQIPVCFN-UHFFFAOYSA-N -1 3 326.744 2.494 10 5 EEBEHM COC(=O)[C@@H](C)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001557008398 1342440067 /nfs/dbraw/zinc/44/00/67/1342440067.db2.gz YVMDKWWERFDDBC-VIFPVBQESA-N -1 3 345.311 2.224 10 5 EEBEHM CCNc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1[N+](=O)[O-] ZINC001624725479 1352428831 /nfs/dbraw/zinc/42/88/31/1352428831.db2.gz GGAKHYSYQPBODE-UHFFFAOYSA-N -1 3 343.343 2.115 10 5 EEBEHM O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595111 1352712138 /nfs/dbraw/zinc/71/21/38/1352712138.db2.gz OCMKCQOXXOTFHV-SECBINFHSA-N -1 3 341.327 2.135 10 5 EEBEHM O=c1[n-]ccc(N2CCN(c3cc(Cl)ccn3)CC2)c1[N+](=O)[O-] ZINC001651434987 1354052688 /nfs/dbraw/zinc/05/26/88/1354052688.db2.gz LJBOTCDETQFXAP-UHFFFAOYSA-N -1 3 335.751 2.070 10 5 EEBEHM O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([O-])c1F ZINC001137580736 769059152 /nfs/dbraw/zinc/05/91/52/769059152.db2.gz WMMZBKQKOPRJEK-UHFFFAOYSA-N -1 3 348.290 2.200 10 5 EEBEHM Cc1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001171450422 796537258 /nfs/dbraw/zinc/53/72/58/796537258.db2.gz HMEMOODJNWVUNI-KRWDZBQOSA-N -1 3 330.340 2.246 10 5 EEBEHM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C1CCCC1 ZINC001520685231 1119186932 /nfs/dbraw/zinc/18/69/32/1119186932.db2.gz QOQYNXCDZNZSSS-LBPRGKRZSA-N -1 3 333.388 2.389 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C ZINC000052781851 214144868 /nfs/dbraw/zinc/14/48/68/214144868.db2.gz BQARSXZPXREJHO-PWSUYJOCSA-N -1 3 328.390 2.460 10 5 EEBEHM COc1cnccc1N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339144113 274166955 /nfs/dbraw/zinc/16/69/55/274166955.db2.gz IKSKTXUWBAYRLT-UHFFFAOYSA-N -1 3 344.371 2.026 10 5 EEBEHM CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccccc1 ZINC000245824958 290214020 /nfs/dbraw/zinc/21/40/20/290214020.db2.gz FMCQXZGPODLZRO-WMLDXEAASA-N -1 3 341.367 2.476 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000416641054 313283348 /nfs/dbraw/zinc/28/33/48/313283348.db2.gz BPTXWKKOWLBHTG-CHWSQXEVSA-N -1 3 342.417 2.041 10 5 EEBEHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341204001 465052541 /nfs/dbraw/zinc/05/25/41/465052541.db2.gz DPBYBTPGWMROFB-STQMWFEESA-N -1 3 341.433 2.136 10 5 EEBEHM O=C([N-]c1cc2c(=O)[nH]cnc2cc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000097109405 463327792 /nfs/dbraw/zinc/32/77/92/463327792.db2.gz WBMVYDMIKPUPDQ-UHFFFAOYSA-N -1 3 346.249 2.362 10 5 EEBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000185503698 463834501 /nfs/dbraw/zinc/83/45/01/463834501.db2.gz SOGGEVFOWTZFFU-SNVBAGLBSA-N -1 3 346.380 2.278 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000186982310 464087272 /nfs/dbraw/zinc/08/72/72/464087272.db2.gz WRXQGAQDSKKPJV-MRVPVSSYSA-N -1 3 334.369 2.455 10 5 EEBEHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000271625749 464346484 /nfs/dbraw/zinc/34/64/84/464346484.db2.gz DYFOIDFDFXUFQS-VIFPVBQESA-N -1 3 334.419 2.023 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CSC2(C)C)cc1C ZINC000338433063 466123701 /nfs/dbraw/zinc/12/37/01/466123701.db2.gz RNRZEKZYONMMEG-GFCCVEGCSA-N -1 3 330.431 2.384 10 5 EEBEHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000600230566 468502241 /nfs/dbraw/zinc/50/22/41/468502241.db2.gz URPNGZHAXVYXGZ-ZDUSSCGKSA-N -1 3 333.388 2.437 10 5 EEBEHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc3cc(C)ccn32)c1 ZINC000518302091 468111477 /nfs/dbraw/zinc/11/14/77/468111477.db2.gz JJRFEOJZDPHUPT-UHFFFAOYSA-N -1 3 327.300 2.207 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000594788999 468684800 /nfs/dbraw/zinc/68/48/00/468684800.db2.gz IKXIMJYIJIQGIW-UHFFFAOYSA-N -1 3 342.417 2.305 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593630681 469069507 /nfs/dbraw/zinc/06/95/07/469069507.db2.gz ZHGGWYQOCPFOMR-HNNXBMFYSA-N -1 3 340.401 2.078 10 5 EEBEHM O=C1[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000596206626 469202347 /nfs/dbraw/zinc/20/23/47/469202347.db2.gz PMNCNSWZCYPUEU-ZDUSSCGKSA-N -1 3 346.318 2.048 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599460098 469266558 /nfs/dbraw/zinc/26/65/58/469266558.db2.gz SLDFSMGTDIFYGD-MEUQOTJWSA-N -1 3 334.419 2.055 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)cc1C ZINC000599481663 469271519 /nfs/dbraw/zinc/27/15/19/469271519.db2.gz HFJPBJSBTOAYDY-GXTWGEPZSA-N -1 3 340.401 2.057 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000599484774 469273412 /nfs/dbraw/zinc/27/34/12/469273412.db2.gz ZSRAVWBMIUJCNK-QWHCGFSZSA-N -1 3 340.401 2.057 10 5 EEBEHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001624730462 1352428898 /nfs/dbraw/zinc/42/88/98/1352428898.db2.gz HDBNFNDROZMUHC-UHFFFAOYSA-N -1 3 328.328 2.300 10 5 EEBEHM O=c1[n-]ccc(N2CC(c3nc(-c4ccccc4)no3)C2)c1[N+](=O)[O-] ZINC001458632105 1109915225 /nfs/dbraw/zinc/91/52/25/1109915225.db2.gz HKJHZLBPMKVOJP-UHFFFAOYSA-N -1 3 339.311 2.349 10 5 EEBEHM CCOc1cc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)ccc1[N+](=O)[O-] ZINC001458674346 1109929824 /nfs/dbraw/zinc/92/98/24/1109929824.db2.gz HXJSUIANSMWGSH-LBPRGKRZSA-N -1 3 345.359 2.180 10 5 EEBEHM CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001458677239 1109931234 /nfs/dbraw/zinc/93/12/34/1109931234.db2.gz FCDIIHPBKSGSGO-MGCOHNPYSA-N -1 3 338.364 2.411 10 5 EEBEHM CO[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000050373812 214054680 /nfs/dbraw/zinc/05/46/80/214054680.db2.gz PCKAALPSAGXEAI-WDEREUQCSA-N -1 3 334.781 2.094 10 5 EEBEHM CCc1ncc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000451959288 243323978 /nfs/dbraw/zinc/32/39/78/243323978.db2.gz MWQBMTSRAZSBTC-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM Cc1ccc(-c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)cc1[N+](=O)[O-] ZINC000346001544 161349025 /nfs/dbraw/zinc/34/90/25/161349025.db2.gz WMLAQZMNRDTQNQ-UHFFFAOYSA-N -1 3 342.315 2.182 10 5 EEBEHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000336865654 465059369 /nfs/dbraw/zinc/05/93/69/465059369.db2.gz KNINNXHTMFBOJP-UHFFFAOYSA-N -1 3 343.748 2.458 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c(F)c1 ZINC000180603704 464346377 /nfs/dbraw/zinc/34/63/77/464346377.db2.gz PCJQAWREYNBCDR-UHFFFAOYSA-N -1 3 345.739 2.261 10 5 EEBEHM CO[C@H](C)CC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000272540397 464652518 /nfs/dbraw/zinc/65/25/18/464652518.db2.gz RSHSCYZJZBOHRE-SECBINFHSA-N -1 3 336.797 2.260 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)cc1C ZINC000323453266 466638855 /nfs/dbraw/zinc/63/88/55/466638855.db2.gz ABDILSWPOQLHKE-CHWSQXEVSA-N -1 3 342.417 2.041 10 5 EEBEHM CCO[C@@H]1C[C@@H](NCc2cc(OC)c([O-])cc2[N+](=O)[O-])[C@@H]1SC ZINC000592375919 468685189 /nfs/dbraw/zinc/68/51/89/468685189.db2.gz TYKXULOMGWFXHU-KMUNFCNLSA-N -1 3 342.417 2.308 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)cc1C ZINC000594850176 468703860 /nfs/dbraw/zinc/70/38/60/468703860.db2.gz CHUWWJKMNAZCHN-OLZOCXBDSA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC2CCSCC2)c([N+](=O)[O-])s1 ZINC000601345396 468834213 /nfs/dbraw/zinc/83/42/13/468834213.db2.gz SMIKOMDJPNOBRY-UHFFFAOYSA-N -1 3 336.460 2.386 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)c([N+](=O)[O-])s1 ZINC000601438976 468874112 /nfs/dbraw/zinc/87/41/12/468874112.db2.gz DZHDCXSSJRKQKW-UHFFFAOYSA-N -1 3 348.446 2.448 10 5 EEBEHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593535223 469022658 /nfs/dbraw/zinc/02/26/58/469022658.db2.gz TVKMCXSVDQKVKA-LBPRGKRZSA-N -1 3 335.385 2.208 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)nc1 ZINC000593540522 469024809 /nfs/dbraw/zinc/02/48/09/469024809.db2.gz ZKAKAAOOAOBECY-CYBMUJFWSA-N -1 3 349.368 2.182 10 5 EEBEHM Cc1cc(C)c2c(c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC000593834274 469155988 /nfs/dbraw/zinc/15/59/88/469155988.db2.gz DKEQVRLVGIPVHB-UHFFFAOYSA-N -1 3 329.312 2.351 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(Cl)c1 ZINC000599363079 469228601 /nfs/dbraw/zinc/22/86/01/469228601.db2.gz AGRRWUSARBVDLB-SNVBAGLBSA-N -1 3 348.808 2.343 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000599485311 469273937 /nfs/dbraw/zinc/27/39/37/469273937.db2.gz SCGWMSKJBDBQEX-JQWIXIFHSA-N -1 3 346.792 2.094 10 5 EEBEHM COc1nnc([N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 ZINC000618915619 469470625 /nfs/dbraw/zinc/47/06/25/469470625.db2.gz DGBQSJGGQAZQGN-UHFFFAOYSA-N -1 3 326.359 2.429 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCSC ZINC000736347043 578197893 /nfs/dbraw/zinc/19/78/93/578197893.db2.gz PLJFOMZANSMNJA-SECBINFHSA-N -1 3 334.419 2.023 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2cc(C)c(=O)n(C)c2)c1F ZINC001150432155 1316264198 /nfs/dbraw/zinc/26/41/98/1316264198.db2.gz SXIORRIHVAXVBJ-UHFFFAOYSA-N -1 3 337.282 2.441 10 5 EEBEHM COc1ccccc1-c1cc(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)no1 ZINC001436248152 1342016458 /nfs/dbraw/zinc/01/64/58/1342016458.db2.gz UVEXJFNTTBFADF-UHFFFAOYSA-N -1 3 343.299 2.244 10 5 EEBEHM Nc1nccc(C(=O)[N-]c2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC001648572590 1353434818 /nfs/dbraw/zinc/43/48/18/1353434818.db2.gz ILRRLLAHVVLDTO-UHFFFAOYSA-N -1 3 325.284 2.479 10 5 EEBEHM COc1ccc(C[C@](C)(CO)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC001655736685 1354182777 /nfs/dbraw/zinc/18/27/77/1354182777.db2.gz RIMFGMITMZTBKR-GOSISDBHSA-N -1 3 346.383 2.392 10 5 EEBEHM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000921422279 773351173 /nfs/dbraw/zinc/35/11/73/773351173.db2.gz UZGQIJAZCZWOAM-MRVPVSSYSA-N -1 3 336.797 2.340 10 5 EEBEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001468753230 1110479877 /nfs/dbraw/zinc/47/98/77/1110479877.db2.gz PSQWFMIWRBKGET-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001468753230 1110479878 /nfs/dbraw/zinc/47/98/78/1110479878.db2.gz PSQWFMIWRBKGET-UHFFFAOYSA-N -1 3 342.290 2.090 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cscn1 ZINC000051159955 214081160 /nfs/dbraw/zinc/08/11/60/214081160.db2.gz KITJLGUQWSWBJB-UHFFFAOYSA-N -1 3 333.778 2.183 10 5 EEBEHM CCC(CC)(CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000053071801 214161991 /nfs/dbraw/zinc/16/19/91/214161991.db2.gz OOQCIRKWVVJCBF-UHFFFAOYSA-N -1 3 336.797 2.078 10 5 EEBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccco2)c1 ZINC000037975650 213178768 /nfs/dbraw/zinc/17/87/68/213178768.db2.gz CSHPZPRUXDPAPN-UHFFFAOYSA-N -1 3 330.749 2.362 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)c1 ZINC000272464900 274171875 /nfs/dbraw/zinc/17/18/75/274171875.db2.gz MCAXZAVJTQINBX-UWVGGRQHSA-N -1 3 348.808 2.402 10 5 EEBEHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000338421695 466113207 /nfs/dbraw/zinc/11/32/07/466113207.db2.gz JJRFHPKXUMWXMD-SNVBAGLBSA-N -1 3 336.822 2.421 10 5 EEBEHM O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600228471 468502631 /nfs/dbraw/zinc/50/26/31/468502631.db2.gz BBGGSXPNTIALQC-AWEZNQCLSA-N -1 3 333.388 2.437 10 5 EEBEHM COc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1O ZINC000438090531 467561225 /nfs/dbraw/zinc/56/12/25/467561225.db2.gz UVONFVSRNUPWFZ-UHFFFAOYSA-N -1 3 328.284 2.438 10 5 EEBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594490142 468607058 /nfs/dbraw/zinc/60/70/58/468607058.db2.gz AQYYRROSEMQLCT-GFCCVEGCSA-N -1 3 340.401 2.365 10 5 EEBEHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000594864270 468711486 /nfs/dbraw/zinc/71/14/86/468711486.db2.gz UPULGFASTLMDCR-AWEZNQCLSA-N -1 3 328.390 2.460 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000595393297 468837320 /nfs/dbraw/zinc/83/73/20/468837320.db2.gz UMZAXLJLSULDIX-LBPRGKRZSA-N -1 3 342.417 2.305 10 5 EEBEHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1(C)C ZINC000601367226 468844058 /nfs/dbraw/zinc/84/40/58/468844058.db2.gz NZXIFTNHBKCYDC-NXEZZACHSA-N -1 3 334.419 2.057 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])s1 ZINC000601374803 468847125 /nfs/dbraw/zinc/84/71/25/468847125.db2.gz KWFOYWLOUFPJIC-SNVBAGLBSA-N -1 3 346.430 2.345 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601394474 468856965 /nfs/dbraw/zinc/85/69/65/468856965.db2.gz SXSSBENATVVUON-NSHDSACASA-N -1 3 347.462 2.116 10 5 EEBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000593542213 469025364 /nfs/dbraw/zinc/02/53/64/469025364.db2.gz FMJZLHWOXLNABK-JTQLQIEISA-N -1 3 342.402 2.184 10 5 EEBEHM CC(C)CSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593566039 469038888 /nfs/dbraw/zinc/03/88/88/469038888.db2.gz FTBCTHVCAFTTKL-UHFFFAOYSA-N -1 3 333.435 2.047 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599459277 469264903 /nfs/dbraw/zinc/26/49/03/469264903.db2.gz GFYWVENIVPNZMB-VXFNFUGZSA-N -1 3 348.808 2.338 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599480740 469270499 /nfs/dbraw/zinc/27/04/99/469270499.db2.gz DZQNRBQEJWLVPF-QHBPRCKVSA-N -1 3 340.401 2.318 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000599485312 469273610 /nfs/dbraw/zinc/27/36/10/469273610.db2.gz SCGWMSKJBDBQEX-PWSUYJOCSA-N -1 3 346.792 2.094 10 5 EEBEHM COc1ccc(C(=O)[N-]c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000608867215 469883561 /nfs/dbraw/zinc/88/35/61/469883561.db2.gz ZQLBLFJXKDSUDN-UHFFFAOYSA-N -1 3 340.295 2.328 10 5 EEBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000610230953 469989659 /nfs/dbraw/zinc/98/96/59/469989659.db2.gz GYDGSHKNGZLMSW-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000610230953 469989661 /nfs/dbraw/zinc/98/96/61/469989661.db2.gz GYDGSHKNGZLMSW-UHFFFAOYSA-N -1 3 332.316 2.364 10 5 EEBEHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001132572786 1199872817 /nfs/dbraw/zinc/87/28/17/1199872817.db2.gz MHOTVLDTQYXCBD-YVMONPNESA-N -1 3 326.312 2.083 10 5 EEBEHM COc1ccc([C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)cc1 ZINC000866234270 1201472681 /nfs/dbraw/zinc/47/26/81/1201472681.db2.gz KXDBLKZLKNHCPJ-AWEZNQCLSA-N -1 3 331.328 2.282 10 5 EEBEHM CCOC(=O)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C ZINC001287569031 1327517982 /nfs/dbraw/zinc/51/79/82/1327517982.db2.gz FQQQEIIDFUDWNL-UHFFFAOYSA-N -1 3 325.302 2.382 10 5 EEBEHM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001640594872 1352712092 /nfs/dbraw/zinc/71/20/92/1352712092.db2.gz JFGIIKPXPAQAON-VIFPVBQESA-N -1 3 341.327 2.135 10 5 EEBEHM O=c1[n-]ccc(NCCn2cc(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC001651525712 1354056200 /nfs/dbraw/zinc/05/62/00/1354056200.db2.gz VOONQEXLHILQPI-UHFFFAOYSA-N -1 3 326.316 2.066 10 5 EEBEHM COc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)ccc1[N+](=O)[O-] ZINC001179076230 799771026 /nfs/dbraw/zinc/77/10/26/799771026.db2.gz VTTJIIGMKZJXKI-UHFFFAOYSA-N -1 3 348.315 2.144 10 5 EEBEHM COc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)ccc1[N+](=O)[O-] ZINC001179076230 799771030 /nfs/dbraw/zinc/77/10/30/799771030.db2.gz VTTJIIGMKZJXKI-UHFFFAOYSA-N -1 3 348.315 2.144 10 5 EEBEHM O=[N+]([O-])c1cccc(Br)c1SCCc1nnn[n-]1 ZINC001458448510 1109874915 /nfs/dbraw/zinc/87/49/15/1109874915.db2.gz LXSZXPGEFBBGAO-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM O=[N+]([O-])c1cccc(Br)c1SCCc1nn[n-]n1 ZINC001458448510 1109874918 /nfs/dbraw/zinc/87/49/18/1109874918.db2.gz LXSZXPGEFBBGAO-UHFFFAOYSA-N -1 3 330.167 2.205 10 5 EEBEHM CN(C)CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531358 159183055 /nfs/dbraw/zinc/18/30/55/159183055.db2.gz LVZOJHNCRDTJJJ-UHFFFAOYSA-N -1 3 345.355 2.493 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000362917067 295200180 /nfs/dbraw/zinc/20/01/80/295200180.db2.gz JMRDQNWXTQSVJJ-XIVSLSHWSA-N -1 3 340.401 2.460 10 5 EEBEHM C[C@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000344693647 300197676 /nfs/dbraw/zinc/19/76/76/300197676.db2.gz BGYFCCAERUZPHF-GFCCVEGCSA-N -1 3 333.388 2.247 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)C(C)C ZINC000416549143 313254043 /nfs/dbraw/zinc/25/40/43/313254043.db2.gz OHNJYTBOMILOOQ-ZIAGYGMSSA-N -1 3 328.390 2.316 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000416641066 313283342 /nfs/dbraw/zinc/28/33/42/313283342.db2.gz BPTXWKKOWLBHTG-STQMWFEESA-N -1 3 342.417 2.041 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119467314 462904360 /nfs/dbraw/zinc/90/43/60/462904360.db2.gz UZZKWZJTDLGXRM-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119467314 462904365 /nfs/dbraw/zinc/90/43/65/462904365.db2.gz UZZKWZJTDLGXRM-UHFFFAOYSA-N -1 3 326.316 2.279 10 5 EEBEHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000295389545 464813336 /nfs/dbraw/zinc/81/33/36/464813336.db2.gz FYKMLMYWXBUOJO-UWVGGRQHSA-N -1 3 338.257 2.207 10 5 EEBEHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000451820976 467268946 /nfs/dbraw/zinc/26/89/46/467268946.db2.gz ZWNGSSSGAVLGJZ-JSGCOSHPSA-N -1 3 342.417 2.324 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C1CCC1 ZINC000451870898 467277375 /nfs/dbraw/zinc/27/73/75/467277375.db2.gz QGIOZLLWOTZFRP-UHFFFAOYSA-N -1 3 328.390 2.460 10 5 EEBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000594770889 468680659 /nfs/dbraw/zinc/68/06/59/468680659.db2.gz RETRODSCKMCYFB-MSRIBSCDSA-N -1 3 333.369 2.220 10 5 EEBEHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601387257 468852855 /nfs/dbraw/zinc/85/28/55/468852855.db2.gz RKTCPSDFWTWYSN-NXEZZACHSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c([N+](=O)[O-])s1 ZINC000601416856 468865422 /nfs/dbraw/zinc/86/54/22/468865422.db2.gz AVXFWRAXPGVYHA-VIFPVBQESA-N -1 3 336.460 2.386 10 5 EEBEHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCC2 ZINC000601436731 468872703 /nfs/dbraw/zinc/87/27/03/468872703.db2.gz KUFMUGAOVMFWFM-WDEREUQCSA-N -1 3 346.430 2.201 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC000601502485 468897119 /nfs/dbraw/zinc/89/71/19/468897119.db2.gz WAMCJSGJSOWKSP-QMTHXVAHSA-N -1 3 326.374 2.214 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599460102 469266576 /nfs/dbraw/zinc/26/65/76/469266576.db2.gz SLDFSMGTDIFYGD-VXDIOVFMSA-N -1 3 334.419 2.055 10 5 EEBEHM COC(=O)c1c(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1F ZINC000426703301 536849691 /nfs/dbraw/zinc/84/96/91/536849691.db2.gz FZTPFMAKFKCRAU-UHFFFAOYSA-N -1 3 349.274 2.182 10 5 EEBEHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000855329222 1293173443 /nfs/dbraw/zinc/17/34/43/1293173443.db2.gz ZVWVLRRVBQEGOG-LDYMZIIASA-N -1 3 337.286 2.100 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160949275 1320329350 /nfs/dbraw/zinc/32/93/50/1320329350.db2.gz WHHYLWDVWBUHLK-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160949275 1320329355 /nfs/dbraw/zinc/32/93/55/1320329355.db2.gz WHHYLWDVWBUHLK-UHFFFAOYSA-N -1 3 338.327 2.259 10 5 EEBEHM C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001612539202 1352308878 /nfs/dbraw/zinc/30/88/78/1352308878.db2.gz QMZKLUJITKBMRD-HTQZYQBOSA-N -1 3 337.361 2.227 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001558560420 1342481822 /nfs/dbraw/zinc/48/18/22/1342481822.db2.gz RWXVWQSVMXEJGK-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001558560420 1342481824 /nfs/dbraw/zinc/48/18/24/1342481824.db2.gz RWXVWQSVMXEJGK-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM Cc1c(CC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cccc1[N+](=O)[O-] ZINC001652733725 1354100774 /nfs/dbraw/zinc/10/07/74/1354100774.db2.gz SYLMJTXKNGNLPV-UHFFFAOYSA-N -1 3 346.343 2.373 10 5 EEBEHM Cc1c(CC(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cccc1[N+](=O)[O-] ZINC001652733725 1354100779 /nfs/dbraw/zinc/10/07/79/1354100779.db2.gz SYLMJTXKNGNLPV-UHFFFAOYSA-N -1 3 346.343 2.373 10 5 EEBEHM C[C@H]1CCCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001441355619 1094872350 /nfs/dbraw/zinc/87/23/50/1094872350.db2.gz USDVJUBCZKZKDQ-JTQLQIEISA-N -1 3 341.795 2.416 10 5 EEBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C2 ZINC001454285147 1107002032 /nfs/dbraw/zinc/00/20/32/1107002032.db2.gz KVHQYCPGYXEUFV-UHFFFAOYSA-N -1 3 342.355 2.219 10 5 EEBEHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001470698171 1110510577 /nfs/dbraw/zinc/51/05/77/1110510577.db2.gz SPIAATBARIWXKZ-UHFFFAOYSA-N -1 3 342.355 2.217 10 5 EEBEHM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCc2c(=O)[n-]cnc21 ZINC001536199695 1123662004 /nfs/dbraw/zinc/66/20/04/1123662004.db2.gz DTXASDZBLIVJJN-UHFFFAOYSA-N -1 3 334.719 2.337 10 5 EEBEHM CO[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000050373813 214054195 /nfs/dbraw/zinc/05/41/95/214054195.db2.gz PCKAALPSAGXEAI-QWRGUYRKSA-N -1 3 334.781 2.094 10 5 EEBEHM CCN(CCO)c1ncnc([N-]c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040617852 213359560 /nfs/dbraw/zinc/35/95/60/213359560.db2.gz NCPINFHLRHFMKM-UHFFFAOYSA-N -1 3 339.302 2.225 10 5 EEBEHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC000019815266 212072193 /nfs/dbraw/zinc/07/21/93/212072193.db2.gz OMSXCAWSODTFJA-UHFFFAOYSA-N -1 3 325.280 2.039 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc32)c(F)c1 ZINC000194622467 160197072 /nfs/dbraw/zinc/19/70/72/160197072.db2.gz PPUCJLZIKHPZAN-LBPRGKRZSA-N -1 3 338.316 2.146 10 5 EEBEHM CCc1cnccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352089547 162064504 /nfs/dbraw/zinc/06/45/04/162064504.db2.gz NJYGQSFXKDXFCS-UHFFFAOYSA-N -1 3 327.387 2.092 10 5 EEBEHM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000352986760 162376077 /nfs/dbraw/zinc/37/60/77/162376077.db2.gz NVDBDJNLRSTHKX-LBPRGKRZSA-N -1 3 342.315 2.298 10 5 EEBEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)on1 ZINC000153035167 292499400 /nfs/dbraw/zinc/49/94/00/292499400.db2.gz OVSVLQLDZOWEQJ-LLVKDONJSA-N -1 3 330.344 2.277 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCc2cc(N)ccc21 ZINC000325392389 311602183 /nfs/dbraw/zinc/60/21/83/311602183.db2.gz MWPUXYMRCNIDIA-CQSZACIVSA-N -1 3 347.396 2.451 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1 ZINC000416508185 313241522 /nfs/dbraw/zinc/24/15/22/313241522.db2.gz AIEHOALCKGSEAP-HNNXBMFYSA-N -1 3 340.401 2.460 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(C)(C)C)c1C ZINC000531684829 317812526 /nfs/dbraw/zinc/81/25/26/317812526.db2.gz NQXRHWJLUUMYSO-UHFFFAOYSA-N -1 3 330.406 2.305 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000167593738 463663475 /nfs/dbraw/zinc/66/34/75/463663475.db2.gz HWHZDFCCKOCRMZ-DGCLKSJQSA-N -1 3 348.380 2.438 10 5 EEBEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000188748217 464358914 /nfs/dbraw/zinc/35/89/14/464358914.db2.gz TUABFUINTRZQRE-JTQLQIEISA-N -1 3 348.808 2.484 10 5 EEBEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000190371520 464630310 /nfs/dbraw/zinc/63/03/10/464630310.db2.gz SBSHJBXJEVTHFQ-OAHLLOKOSA-N -1 3 342.417 2.204 10 5 EEBEHM COCCCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000182528505 464677127 /nfs/dbraw/zinc/67/71/27/464677127.db2.gz CELBWAKMTQXVRR-UHFFFAOYSA-N -1 3 336.797 2.262 10 5 EEBEHM O=C(c1ccc([O-])cc1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302787483 466184956 /nfs/dbraw/zinc/18/49/56/466184956.db2.gz ASILROMJKVWTIC-UHFFFAOYSA-N -1 3 345.330 2.402 10 5 EEBEHM COc1cc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897055 467200139 /nfs/dbraw/zinc/20/01/39/467200139.db2.gz PVOZZLOTVGESMF-NSHDSACASA-N -1 3 334.332 2.072 10 5 EEBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nc2ccccn2n1 ZINC000438940537 467565823 /nfs/dbraw/zinc/56/58/23/467565823.db2.gz WFUPTMCKDCBTEK-UHFFFAOYSA-N -1 3 331.719 2.852 10 5 EEBEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548871417 468151084 /nfs/dbraw/zinc/15/10/84/468151084.db2.gz KQSGUIDBTVONQD-UHFFFAOYSA-N -1 3 341.302 2.204 10 5 EEBEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548871417 468151089 /nfs/dbraw/zinc/15/10/89/468151089.db2.gz KQSGUIDBTVONQD-UHFFFAOYSA-N -1 3 341.302 2.204 10 5 EEBEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548871417 468151093 /nfs/dbraw/zinc/15/10/93/468151093.db2.gz KQSGUIDBTVONQD-UHFFFAOYSA-N -1 3 341.302 2.204 10 5 EEBEHM CN(C)CCN(Cc1ccccn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000583468085 468701753 /nfs/dbraw/zinc/70/17/53/468701753.db2.gz GNNZGLSTUPKJLG-UHFFFAOYSA-N -1 3 330.388 2.259 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)O1 ZINC000594852266 468705364 /nfs/dbraw/zinc/70/53/64/468705364.db2.gz PMQJKTQUFOJQKV-RYUDHWBXSA-N -1 3 328.390 2.139 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])s1 ZINC000601474616 468890000 /nfs/dbraw/zinc/89/00/00/468890000.db2.gz ROMBGHXZESHRPR-KBIXCLLPSA-N -1 3 334.419 2.055 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H]2C)cc1C ZINC000601500573 468895831 /nfs/dbraw/zinc/89/58/31/468895831.db2.gz YTKDPYDGROAGTN-IJLUTSLNSA-N -1 3 328.390 2.056 10 5 EEBEHM NC(=O)c1cc(NCCc2c(F)cc([O-])cc2F)ccc1[N+](=O)[O-] ZINC001640449282 1352709722 /nfs/dbraw/zinc/70/97/22/1352709722.db2.gz GYUWKNJZGWNQTG-UHFFFAOYSA-N -1 3 337.282 2.332 10 5 EEBEHM O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001651066773 1354038490 /nfs/dbraw/zinc/03/84/90/1354038490.db2.gz VXTIYEGIRWXNQI-UHFFFAOYSA-N -1 3 347.718 2.155 10 5 EEBEHM O=[N+]([O-])c1c(Sc2ccccc2[O-])ncnc1N1CCOCC1 ZINC001651312298 1354048318 /nfs/dbraw/zinc/04/83/18/1354048318.db2.gz DBEJUWQFGIVOOF-UHFFFAOYSA-N -1 3 334.357 2.078 10 5 EEBEHM CC(C)Cc1nnc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001464421867 1110394049 /nfs/dbraw/zinc/39/40/49/1110394049.db2.gz ZFZGHMNQDOXUAH-UHFFFAOYSA-N -1 3 330.757 2.274 10 5 EEBEHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001538333967 1124024854 /nfs/dbraw/zinc/02/48/54/1124024854.db2.gz DGWPMPQYTDVDAF-UHFFFAOYSA-N -1 3 342.315 2.291 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1 ZINC000183651658 235183493 /nfs/dbraw/zinc/18/34/93/235183493.db2.gz VIPKPODPRFYNOU-SECBINFHSA-N -1 3 334.781 2.014 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127359831 292323959 /nfs/dbraw/zinc/32/39/59/292323959.db2.gz QYECCTHWKLGZHQ-UHFFFAOYSA-N -1 3 348.808 2.079 10 5 EEBEHM O=C(NCc1ncccc1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000352501761 162160940 /nfs/dbraw/zinc/16/09/40/162160940.db2.gz PNXVEUSWGMBFLY-UHFFFAOYSA-N -1 3 342.355 2.226 10 5 EEBEHM CCC[N@@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559591 162187136 /nfs/dbraw/zinc/18/71/36/162187136.db2.gz JRFSPWKFOQRRCA-SNVBAGLBSA-N -1 3 335.451 2.055 10 5 EEBEHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559591 162187139 /nfs/dbraw/zinc/18/71/39/162187139.db2.gz JRFSPWKFOQRRCA-SNVBAGLBSA-N -1 3 335.451 2.055 10 5 EEBEHM CN1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000272704541 269011202 /nfs/dbraw/zinc/01/12/02/269011202.db2.gz VQPNOZDYIZBQHT-DLBZAZTESA-N -1 3 341.367 2.476 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c1 ZINC000277629562 269164836 /nfs/dbraw/zinc/16/48/36/269164836.db2.gz CDGSNNCNWZZOMN-UWVGGRQHSA-N -1 3 348.808 2.260 10 5 EEBEHM CN(C)Cc1cccc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000341326422 465112863 /nfs/dbraw/zinc/11/28/63/465112863.db2.gz XELSNGPKXGJGNY-UHFFFAOYSA-N -1 3 329.356 2.292 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000030494053 463300833 /nfs/dbraw/zinc/30/08/33/463300833.db2.gz RLFLULPRELNXLG-UHFFFAOYSA-N -1 3 340.332 2.221 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000292740214 464325394 /nfs/dbraw/zinc/32/53/94/464325394.db2.gz HFCXDSUCEJMWCI-UHFFFAOYSA-N -1 3 339.373 2.073 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)ccn2)n1 ZINC000427893366 467184838 /nfs/dbraw/zinc/18/48/38/467184838.db2.gz JIMQWXYGWLLVNX-UHFFFAOYSA-N -1 3 340.137 2.221 10 5 EEBEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000592087626 468617859 /nfs/dbraw/zinc/61/78/59/468617859.db2.gz PJWKSBVUTPMAKQ-PHIMTYICSA-N -1 3 328.390 2.219 10 5 EEBEHM COC1([C@H](C)[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601441493 468874384 /nfs/dbraw/zinc/87/43/84/468874384.db2.gz HVELMZIBHSNYCL-VIFPVBQESA-N -1 3 334.419 2.201 10 5 EEBEHM COC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000596115936 469162598 /nfs/dbraw/zinc/16/25/98/469162598.db2.gz QAODAGUQRZSWPF-NSHDSACASA-N -1 3 349.318 2.278 10 5 EEBEHM COc1cc2nc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])sc2cc1OC ZINC000619785675 469682264 /nfs/dbraw/zinc/68/22/64/469682264.db2.gz RGPSKRAMQKBECY-UHFFFAOYSA-N -1 3 349.328 2.197 10 5 EEBEHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1n[n-]c(-c2ccco2)n1 ZINC001133907289 1199159093 /nfs/dbraw/zinc/15/90/93/1199159093.db2.gz SCNOGXXPRDAVNB-UHFFFAOYSA-N -1 3 331.263 2.293 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1F ZINC000867614789 1201644058 /nfs/dbraw/zinc/64/40/58/1201644058.db2.gz MTXPWILBIRXSQF-WDEREUQCSA-N -1 3 332.353 2.162 10 5 EEBEHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000853653197 1292431306 /nfs/dbraw/zinc/43/13/06/1292431306.db2.gz AVPUZOWYQRTVRL-BDAKNGLRSA-N -1 3 326.353 2.409 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc(C)n1 ZINC001322604074 1333291797 /nfs/dbraw/zinc/29/17/97/1333291797.db2.gz DGYDTFCXUOVXNQ-UHFFFAOYSA-N -1 3 335.385 2.446 10 5 EEBEHM O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628246559 1352527117 /nfs/dbraw/zinc/52/71/17/1352527117.db2.gz RGCYFCXWZNMGFD-SECBINFHSA-N -1 3 341.327 2.135 10 5 EEBEHM CCOc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[n-]1 ZINC001643953016 1352756086 /nfs/dbraw/zinc/75/60/86/1352756086.db2.gz GIBNRIHCSSQRPM-UHFFFAOYSA-N -1 3 335.320 2.151 10 5 EEBEHM CCOc1nc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[n-]1 ZINC001643953016 1352756090 /nfs/dbraw/zinc/75/60/90/1352756090.db2.gz GIBNRIHCSSQRPM-UHFFFAOYSA-N -1 3 335.320 2.151 10 5 EEBEHM CCOc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC001643953016 1352756094 /nfs/dbraw/zinc/75/60/94/1352756094.db2.gz GIBNRIHCSSQRPM-UHFFFAOYSA-N -1 3 335.320 2.151 10 5 EEBEHM Cn1ncc2c1nc(SCc1cc(F)ccc1[N+](=O)[O-])[n-]c2=O ZINC001656732987 1354269909 /nfs/dbraw/zinc/26/99/09/1354269909.db2.gz RMDLZYCZIZINMX-UHFFFAOYSA-N -1 3 335.320 2.409 10 5 EEBEHM COC(=O)C=Cc1ccc(NCc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC001458468496 1109878553 /nfs/dbraw/zinc/87/85/53/1109878553.db2.gz JSSUJFOMVSPCKR-XQRVVYSFSA-N -1 3 344.327 2.197 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2ncc(Cl)cn2)cc([N+](=O)[O-])c1 ZINC001532080588 1122637751 /nfs/dbraw/zinc/63/77/51/1122637751.db2.gz AKEGZTGLTUQAFK-UHFFFAOYSA-N -1 3 336.691 2.077 10 5 EEBEHM COC(=O)c1cc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])on1 ZINC001544061902 1124138639 /nfs/dbraw/zinc/13/86/39/1124138639.db2.gz IXHITEAESWCTRT-UHFFFAOYSA-N -1 3 337.313 2.344 10 5 EEBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCCO2)c1 ZINC000037981767 213181106 /nfs/dbraw/zinc/18/11/06/213181106.db2.gz QAPACHYVQZVSTI-SNVBAGLBSA-N -1 3 334.781 2.096 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000070828037 463387812 /nfs/dbraw/zinc/38/78/12/463387812.db2.gz QZKHWUIKHQPGGH-UHFFFAOYSA-N -1 3 328.390 2.462 10 5 EEBEHM COCc1csc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000433745076 467348784 /nfs/dbraw/zinc/34/87/84/467348784.db2.gz NZZIVBZFHVXTOM-UHFFFAOYSA-N -1 3 325.350 2.297 10 5 EEBEHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000516074723 468011960 /nfs/dbraw/zinc/01/19/60/468011960.db2.gz YFAVNBJBZMGCFI-SECBINFHSA-N -1 3 344.389 2.079 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000516696320 468042548 /nfs/dbraw/zinc/04/25/48/468042548.db2.gz ZGQXELSKKRDXDH-UHFFFAOYSA-N -1 3 348.808 2.343 10 5 EEBEHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)nc1C1CC1 ZINC000534037419 468231373 /nfs/dbraw/zinc/23/13/73/468231373.db2.gz MJFGEIFABDUVPW-UHFFFAOYSA-N -1 3 348.340 2.363 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]CC2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000592106262 468625966 /nfs/dbraw/zinc/62/59/66/468625966.db2.gz TYWNPHBTEVLMFJ-UHFFFAOYSA-N -1 3 346.380 2.410 10 5 EEBEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594853363 468706428 /nfs/dbraw/zinc/70/64/28/468706428.db2.gz YEGKOEZDZIVVJR-GXSJLCMTSA-N -1 3 348.808 2.484 10 5 EEBEHM O=C([N-]c1ccc(-c2nc[nH]n2)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000570916623 468712791 /nfs/dbraw/zinc/71/27/91/468712791.db2.gz VSXRBKBVMAFCAG-UHFFFAOYSA-N -1 3 328.263 2.166 10 5 EEBEHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000595365840 468827227 /nfs/dbraw/zinc/82/72/27/468827227.db2.gz ZDQVKAGZAIHNIE-CYBMUJFWSA-N -1 3 346.380 2.455 10 5 EEBEHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601454691 468881534 /nfs/dbraw/zinc/88/15/34/468881534.db2.gz MJXDBIYVYQSHIE-NXEZZACHSA-N -1 3 334.419 2.201 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144732 469121753 /nfs/dbraw/zinc/12/17/53/469121753.db2.gz TZBLTHSAPPCTAN-LLVKDONJSA-N -1 3 336.316 2.070 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c1C ZINC000599483719 469272198 /nfs/dbraw/zinc/27/21/98/469272198.db2.gz VTQHBJLBINQYPG-GXTWGEPZSA-N -1 3 340.401 2.057 10 5 EEBEHM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000867677410 1201656197 /nfs/dbraw/zinc/65/61/97/1201656197.db2.gz KSHOPPQNJKPHKX-XWEPSHTISA-N -1 3 336.822 2.421 10 5 EEBEHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164320679 1321351181 /nfs/dbraw/zinc/35/11/81/1321351181.db2.gz CGYZYCQQWGLTAB-QMMMGPOBSA-N -1 3 336.735 2.307 10 5 EEBEHM Cc1ccc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)cc1[N+](=O)[O-] ZINC001627182980 1352486106 /nfs/dbraw/zinc/48/61/06/1352486106.db2.gz OCCPNNTYQORJLP-UHFFFAOYSA-N -1 3 341.327 2.039 10 5 EEBEHM COc1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1[N+](=O)[O-] ZINC001628214990 1352525984 /nfs/dbraw/zinc/52/59/84/1352525984.db2.gz ISXZQEUQMNOZIZ-UHFFFAOYSA-N -1 3 328.284 2.438 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC001628213408 1352526093 /nfs/dbraw/zinc/52/60/93/1352526093.db2.gz IJWVRGXRPRICPR-UHFFFAOYSA-N -1 3 346.343 2.073 10 5 EEBEHM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000921421891 773350400 /nfs/dbraw/zinc/35/04/00/773350400.db2.gz MNVPGGCXQILGJM-MRVPVSSYSA-N -1 3 336.797 2.340 10 5 EEBEHM COC[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)C ZINC000921897747 797930725 /nfs/dbraw/zinc/93/07/25/797930725.db2.gz CHCIRUSBLVIFNY-SNVBAGLBSA-N -1 3 336.435 2.162 10 5 EEBEHM Cn1c(=O)oc2cc([N-]C(=O)c3ccc([N+](=O)[O-])s3)c(F)cc21 ZINC001129672268 810947924 /nfs/dbraw/zinc/94/79/24/810947924.db2.gz UVTQEHNBMUWVLK-UHFFFAOYSA-N -1 3 337.288 2.493 10 5 EEBEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)n1 ZINC000068239288 215293561 /nfs/dbraw/zinc/29/35/61/215293561.db2.gz NWUAVPNRNBZDRJ-UHFFFAOYSA-N -1 3 340.295 2.499 10 5 EEBEHM CCOC(=O)c1ccc(Nc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1 ZINC000040628665 213360819 /nfs/dbraw/zinc/36/08/19/213360819.db2.gz YRJHWUKKWHUTBL-UHFFFAOYSA-N -1 3 346.347 2.194 10 5 EEBEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(C)C ZINC000273176308 256272918 /nfs/dbraw/zinc/27/29/18/256272918.db2.gz PPMNGUYSVHLTSC-UHFFFAOYSA-N -1 3 344.389 2.096 10 5 EEBEHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncccc1[O-] ZINC000352515871 162166978 /nfs/dbraw/zinc/16/69/78/162166978.db2.gz INVWFTVADDVXBX-JTQLQIEISA-N -1 3 333.369 2.492 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2Br)n1 ZINC000355625988 163253191 /nfs/dbraw/zinc/25/31/91/163253191.db2.gz OXIHVLNBJUYBBS-UHFFFAOYSA-N -1 3 343.112 2.482 10 5 EEBEHM O=C([N-][C@@H]1Cc2ccccc2[C@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376640710 167365555 /nfs/dbraw/zinc/36/55/55/167365555.db2.gz HFGCTQZNIXIWKC-HUUCEWRRSA-N -1 3 348.305 2.461 10 5 EEBEHM COC(=O)CCCO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289752918 275145399 /nfs/dbraw/zinc/14/53/99/275145399.db2.gz RGNLEJJFNFHAPR-UHFFFAOYSA-N -1 3 331.712 2.255 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CSC2(C)C)c1C ZINC000338451479 466140499 /nfs/dbraw/zinc/14/04/99/466140499.db2.gz FMCJLTBZBOYMNV-NSHDSACASA-N -1 3 330.431 2.384 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)cc1C ZINC000594850180 468704192 /nfs/dbraw/zinc/70/41/92/468704192.db2.gz CHUWWJKMNAZCHN-STQMWFEESA-N -1 3 342.417 2.448 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)C2CCOCC2)c([N+](=O)[O-])s1 ZINC000601371789 468846003 /nfs/dbraw/zinc/84/60/03/468846003.db2.gz QJGCCWYRPIVQAX-SECBINFHSA-N -1 3 334.419 2.058 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601394438 468856566 /nfs/dbraw/zinc/85/65/66/468856566.db2.gz UBDVTQXMCARQBT-MNOVXSKESA-N -1 3 346.430 2.201 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCO1 ZINC000601444885 468876558 /nfs/dbraw/zinc/87/65/58/468876558.db2.gz KRTPRZWYERQRNA-NXEZZACHSA-N -1 3 334.419 2.201 10 5 EEBEHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cs1 ZINC000593544523 469026893 /nfs/dbraw/zinc/02/68/93/469026893.db2.gz HKHOHIGHRIPURH-QMMMGPOBSA-N -1 3 342.402 2.048 10 5 EEBEHM CS[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000593574542 469042490 /nfs/dbraw/zinc/04/24/90/469042490.db2.gz DDZGFZSURGUWPX-SNVBAGLBSA-N -1 3 333.435 2.046 10 5 EEBEHM Cn1ncc([N-]c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C(F)F ZINC000611143794 469172842 /nfs/dbraw/zinc/17/28/42/469172842.db2.gz JJJSSHASUARRES-UHFFFAOYSA-N -1 3 346.315 2.413 10 5 EEBEHM COc1cc(N2CCc3c(=O)[n-]cnc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596191336 469195022 /nfs/dbraw/zinc/19/50/22/469195022.db2.gz PLLOZFAIDMKLBC-UHFFFAOYSA-N -1 3 336.735 2.315 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]23C[C@@H]2COC3(C)C)c1C ZINC000599396961 469241858 /nfs/dbraw/zinc/24/18/58/469241858.db2.gz LVMHGHZPLFBQNT-ABAIWWIYSA-N -1 3 340.401 2.057 10 5 EEBEHM COC(=O)C(C)(C)n1cc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cn1 ZINC000596518271 469291322 /nfs/dbraw/zinc/29/13/22/469291322.db2.gz IVUZTXNKPLVHAJ-UHFFFAOYSA-N -1 3 333.348 2.455 10 5 EEBEHM COC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1C ZINC001294466681 1329030151 /nfs/dbraw/zinc/03/01/51/1329030151.db2.gz RTYHTJKVOIEBMX-UHFFFAOYSA-N -1 3 331.284 2.043 10 5 EEBEHM COc1nsc(OC)c1C(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1N ZINC001653217245 1354116705 /nfs/dbraw/zinc/11/67/05/1354116705.db2.gz AKGTYARYMOKIMG-UHFFFAOYSA-N -1 3 338.345 2.211 10 5 EEBEHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ncoc1C1CC1 ZINC001654292520 1354145833 /nfs/dbraw/zinc/14/58/33/1354145833.db2.gz YJNJYORZJKTGLV-UHFFFAOYSA-N -1 3 340.299 2.498 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001656094004 1354200180 /nfs/dbraw/zinc/20/01/80/1354200180.db2.gz WYFIFYDAKCDNFP-UHFFFAOYSA-N -1 3 349.368 2.250 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC000921619838 790057381 /nfs/dbraw/zinc/05/73/81/790057381.db2.gz QGVZJZOEXNUFNQ-DTWKUNHWSA-N -1 3 338.307 2.380 10 5 EEBEHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1[N+](=O)[O-] ZINC001179075460 799769912 /nfs/dbraw/zinc/76/99/12/799769912.db2.gz AAWZGXPVYFGOJI-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1[N+](=O)[O-] ZINC001179075460 799769917 /nfs/dbraw/zinc/76/99/17/799769917.db2.gz AAWZGXPVYFGOJI-UHFFFAOYSA-N -1 3 332.316 2.444 10 5 EEBEHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001179183932 799798721 /nfs/dbraw/zinc/79/87/21/799798721.db2.gz YVMPBWYXFCNHBH-RXMQYKEDSA-N -1 3 347.228 2.362 10 5 EEBEHM COc1ccccc1C[C@@](C)(CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001197305063 1126154267 /nfs/dbraw/zinc/15/42/67/1126154267.db2.gz VKIBWTAQCVFXRQ-SFHVURJKSA-N -1 3 346.383 2.392 10 5 EEBEHM CC(C)(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1[N+](=O)[O-] ZINC001469716226 1110495873 /nfs/dbraw/zinc/49/58/73/1110495873.db2.gz SQSXSQCDUYGWBW-NSHDSACASA-N -1 3 344.371 2.317 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(C)C ZINC000451920952 243315831 /nfs/dbraw/zinc/31/58/31/243315831.db2.gz ZELOYCCDLWOPPN-JQWIXIFHSA-N -1 3 328.390 2.174 10 5 EEBEHM Cc1ccc(-n2cccn2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191840327 152276729 /nfs/dbraw/zinc/27/67/29/152276729.db2.gz YCEKCAUTTHMPRO-UHFFFAOYSA-N -1 3 339.311 2.442 10 5 EEBEHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000133520037 159594351 /nfs/dbraw/zinc/59/43/51/159594351.db2.gz HPBDCEQCLXGUIG-UHFFFAOYSA-N -1 3 341.414 2.201 10 5 EEBEHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000343884446 161177584 /nfs/dbraw/zinc/17/75/84/161177584.db2.gz RQVWGXQOHBRMQC-UHFFFAOYSA-N -1 3 346.361 2.283 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000343965239 161185268 /nfs/dbraw/zinc/18/52/68/161185268.db2.gz FDYAUJRRYYJTAD-NSHDSACASA-N -1 3 346.430 2.167 10 5 EEBEHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000416466868 313230790 /nfs/dbraw/zinc/23/07/90/313230790.db2.gz SHULWKXJCKOVHD-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC000547718104 318315088 /nfs/dbraw/zinc/31/50/88/318315088.db2.gz WDMHRMFHMFUEIV-UHFFFAOYSA-N -1 3 328.390 2.318 10 5 EEBEHM CCOc1cc(CN2C[C@H](OC)C[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000574697518 320048798 /nfs/dbraw/zinc/04/87/98/320048798.db2.gz SWYAGKPKKHTHHI-QWHCGFSZSA-N -1 3 338.360 2.058 10 5 EEBEHM Cc1nn(Cc2nc(=O)c3c4c(sc3[n-]2)CCC4)c(C)c1[N+](=O)[O-] ZINC000005267325 462653469 /nfs/dbraw/zinc/65/34/69/462653469.db2.gz PFFRURHAXYAPPE-UHFFFAOYSA-N -1 3 345.384 2.243 10 5 EEBEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000129212702 462694495 /nfs/dbraw/zinc/69/44/95/462694495.db2.gz BYMBXVDKSIBZJI-YRGRVCCFSA-N -1 3 340.401 2.139 10 5 EEBEHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000167593392 463663491 /nfs/dbraw/zinc/66/34/91/463663491.db2.gz HWHZDFCCKOCRMZ-AAEUAGOBSA-N -1 3 348.380 2.438 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000580068834 468461566 /nfs/dbraw/zinc/46/15/66/468461566.db2.gz XPECBTQXIGFANI-ZJUUUORDSA-N -1 3 332.353 2.162 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000362909429 466117193 /nfs/dbraw/zinc/11/71/93/466117193.db2.gz TYENRGFMRPFKLY-XIVSLSHWSA-N -1 3 340.401 2.460 10 5 EEBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)c1[N+](=O)[O-] ZINC000594849988 468704401 /nfs/dbraw/zinc/70/44/01/468704401.db2.gz BKVROLUJSVAJQE-QWHCGFSZSA-N -1 3 342.417 2.448 10 5 EEBEHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601409289 468862214 /nfs/dbraw/zinc/86/22/14/468862214.db2.gz MJXDBIYVYQSHIE-UWVGGRQHSA-N -1 3 334.419 2.201 10 5 EEBEHM COCC1CCC([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601439810 468874411 /nfs/dbraw/zinc/87/44/11/468874411.db2.gz MVDFDZZJCYLONY-UHFFFAOYSA-N -1 3 348.446 2.448 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)nc1 ZINC000593611900 469058700 /nfs/dbraw/zinc/05/87/00/469058700.db2.gz DVVBHPXKUXAHLH-TZMCWYRMSA-N -1 3 333.369 2.072 10 5 EEBEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599397929 469243088 /nfs/dbraw/zinc/24/30/88/469243088.db2.gz VLHBQLJDMUSSNF-OQPBUACISA-N -1 3 346.792 2.094 10 5 EEBEHM O=C(Nc1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000191287327 534479095 /nfs/dbraw/zinc/47/90/95/534479095.db2.gz XDTFLQMRWOBCPT-UHFFFAOYSA-N -1 3 332.320 2.044 10 5 EEBEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451693027 535000754 /nfs/dbraw/zinc/00/07/54/535000754.db2.gz GXGXYSOHUXLZIB-LLVKDONJSA-N -1 3 334.781 2.094 10 5 EEBEHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000759169996 577638332 /nfs/dbraw/zinc/63/83/32/577638332.db2.gz WDGMOJPWYRYSHG-VQHVLOKHSA-N -1 3 338.320 2.046 10 5 EEBEHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000759169996 577638333 /nfs/dbraw/zinc/63/83/33/577638333.db2.gz WDGMOJPWYRYSHG-VQHVLOKHSA-N -1 3 338.320 2.046 10 5 EEBEHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000867684739 1201659040 /nfs/dbraw/zinc/65/90/40/1201659040.db2.gz VKJVKQXNFCKBFT-ZDUSSCGKSA-N -1 3 346.380 2.360 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)[n-]n1 ZINC001597791484 1349931569 /nfs/dbraw/zinc/93/15/69/1349931569.db2.gz YGQQTTAWJDSXPX-UHFFFAOYSA-N -1 3 336.279 2.275 10 5 EEBEHM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC001597791484 1349931570 /nfs/dbraw/zinc/93/15/70/1349931570.db2.gz YGQQTTAWJDSXPX-UHFFFAOYSA-N -1 3 336.279 2.275 10 5 EEBEHM CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655887352 1354188948 /nfs/dbraw/zinc/18/89/48/1354188948.db2.gz IGVLGDLLAJZHMM-JTQLQIEISA-N -1 3 338.364 2.141 10 5 EEBEHM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001137022643 788578793 /nfs/dbraw/zinc/57/87/93/788578793.db2.gz LOJMSEYNBJLZKL-LLVKDONJSA-N -1 3 342.355 2.428 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)[n-]n1 ZINC001447174029 1102134788 /nfs/dbraw/zinc/13/47/88/1102134788.db2.gz IZEOIPSVBNXGTP-UHFFFAOYSA-N -1 3 348.315 2.146 10 5 EEBEHM CCOC(=O)c1cc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n[n-]1 ZINC001447174029 1102134794 /nfs/dbraw/zinc/13/47/94/1102134794.db2.gz IZEOIPSVBNXGTP-UHFFFAOYSA-N -1 3 348.315 2.146 10 5 EEBEHM COC(=O)C=Cc1ccc(NCc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC001458468485 1109878605 /nfs/dbraw/zinc/87/86/05/1109878605.db2.gz JSSUJFOMVSPCKR-GQCTYLIASA-N -1 3 344.327 2.197 10 5 EEBEHM CC(=O)c1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001463976771 1110384569 /nfs/dbraw/zinc/38/45/69/1110384569.db2.gz IMZBMWNBSZNILV-UHFFFAOYSA-N -1 3 334.353 2.276 10 5 EEBEHM COC(=O)c1cc(NC(=O)c2cccc(OC)c2[O-])cc([N+](=O)[O-])c1 ZINC001544532061 1124157126 /nfs/dbraw/zinc/15/71/26/1124157126.db2.gz RJVPWYDRTWTALN-UHFFFAOYSA-N -1 3 346.295 2.348 10 5 EEBEHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000068346251 292162263 /nfs/dbraw/zinc/16/22/63/292162263.db2.gz SRGHNPGMKYAQMV-UHFFFAOYSA-N -1 3 347.462 2.199 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000362907862 286384740 /nfs/dbraw/zinc/38/47/40/286384740.db2.gz CBEUNHFHVMBALT-XIVSLSHWSA-N -1 3 340.401 2.460 10 5 EEBEHM Cn1c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2cc(Cl)ccc21 ZINC000126776628 292315871 /nfs/dbraw/zinc/31/58/71/292315871.db2.gz MUEXDBHEXSPYPK-UHFFFAOYSA-N -1 3 347.718 2.488 10 5 EEBEHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352333327 162091954 /nfs/dbraw/zinc/09/19/54/162091954.db2.gz VTMRDYQJXOUCFB-UHFFFAOYSA-N -1 3 338.307 2.357 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC2(O)CCC2)c1 ZINC000283870818 293005520 /nfs/dbraw/zinc/00/55/20/293005520.db2.gz IRGNJROUVGPQRP-UHFFFAOYSA-N -1 3 348.808 2.140 10 5 EEBEHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cscn2)cc1 ZINC000583438083 324663152 /nfs/dbraw/zinc/66/31/52/324663152.db2.gz SCEJMCQCJIIZJX-UHFFFAOYSA-N -1 3 341.414 2.353 10 5 EEBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000337173260 465227781 /nfs/dbraw/zinc/22/77/81/465227781.db2.gz HCARNEMUJVGQJT-SNVBAGLBSA-N -1 3 329.378 2.135 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCSC(C)(C)C ZINC000066936268 462949986 /nfs/dbraw/zinc/94/99/86/462949986.db2.gz VCNUSRSPIJAZCZ-UHFFFAOYSA-N -1 3 348.446 2.413 10 5 EEBEHM O=C(c1cccc([O-])c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174717251 464442292 /nfs/dbraw/zinc/44/22/92/464442292.db2.gz DIPJJKPPMITCOA-UHFFFAOYSA-N -1 3 327.340 2.263 10 5 EEBEHM CSc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000357416757 466018385 /nfs/dbraw/zinc/01/83/85/466018385.db2.gz CFHUUDKRSQQUJM-UHFFFAOYSA-N -1 3 345.427 2.252 10 5 EEBEHM COCc1ccc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000346292286 466067551 /nfs/dbraw/zinc/06/75/51/466067551.db2.gz UMHREARIBQGURE-UHFFFAOYSA-N -1 3 334.284 2.373 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000362917066 466122263 /nfs/dbraw/zinc/12/22/63/466122263.db2.gz JMRDQNWXTQSVJJ-GCZXYKMCSA-N -1 3 340.401 2.460 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC000451996450 467297871 /nfs/dbraw/zinc/29/78/71/467297871.db2.gz PXALORBYLWFZKP-UHFFFAOYSA-N -1 3 326.374 2.214 10 5 EEBEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594477919 468600470 /nfs/dbraw/zinc/60/04/70/468600470.db2.gz CEXLIOCVIBSMGR-NSHDSACASA-N -1 3 330.406 2.324 10 5 EEBEHM COc1ccc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000595364580 468826236 /nfs/dbraw/zinc/82/62/36/468826236.db2.gz PTPHURNHJIWUMD-UHFFFAOYSA-N -1 3 340.401 2.460 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601394464 468856819 /nfs/dbraw/zinc/85/68/19/468856819.db2.gz SXSSBENATVVUON-LLVKDONJSA-N -1 3 347.462 2.116 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)CN2CCCC2)c([N+](=O)[O-])s1 ZINC000601433449 468871737 /nfs/dbraw/zinc/87/17/37/468871737.db2.gz CFZNDWFVFLWLMH-UHFFFAOYSA-N -1 3 347.462 2.117 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c(F)cc1[N+](=O)[O-] ZINC000601472162 468889159 /nfs/dbraw/zinc/88/91/59/468889159.db2.gz PGZPVZJRNNMTEV-NSHDSACASA-N -1 3 346.380 2.137 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)nc1 ZINC000593530350 469019264 /nfs/dbraw/zinc/01/92/64/469019264.db2.gz JKKBIXIITVWMGX-HNNXBMFYSA-N -1 3 333.369 2.419 10 5 EEBEHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593558384 469034529 /nfs/dbraw/zinc/03/45/29/469034529.db2.gz WNCYNACZXISUFM-SNVBAGLBSA-N -1 3 339.373 2.191 10 5 EEBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)nc1 ZINC000593601033 469054084 /nfs/dbraw/zinc/05/40/84/469054084.db2.gz DVVBHPXKUXAHLH-JSGCOSHPSA-N -1 3 333.369 2.072 10 5 EEBEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599459997 469266217 /nfs/dbraw/zinc/26/62/17/469266217.db2.gz PERGOVVLJSFBRC-VXFNFUGZSA-N -1 3 348.808 2.338 10 5 EEBEHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000855133401 1293080916 /nfs/dbraw/zinc/08/09/16/1293080916.db2.gz FCVBMHCJHUKGIG-ZHACJKMWSA-N -1 3 336.344 2.388 10 5 EEBEHM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001624725695 1352428926 /nfs/dbraw/zinc/42/89/26/1352428926.db2.gz LJTANOTWMMJVGU-UHFFFAOYSA-N -1 3 346.368 2.162 10 5 EEBEHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001639640323 1352700072 /nfs/dbraw/zinc/70/00/72/1352700072.db2.gz NMLNEHDQIAHONQ-VIFPVBQESA-N -1 3 334.307 2.101 10 5 EEBEHM C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001647874145 1353406802 /nfs/dbraw/zinc/40/68/02/1353406802.db2.gz RPWIRMMUTRFZSV-ZETCQYMHSA-N -1 3 343.265 2.152 10 5 EEBEHM O=C(Nc1n[nH]cc1-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648461531 1353430534 /nfs/dbraw/zinc/43/05/34/1353430534.db2.gz LUYUZKDLNIMXHC-UHFFFAOYSA-N -1 3 325.284 2.338 10 5 EEBEHM O=c1[n-]ccc(NC[C@H](c2nnc[nH]2)c2ccccc2)c1[N+](=O)[O-] ZINC001651849205 1354067545 /nfs/dbraw/zinc/06/75/45/1354067545.db2.gz UONGRJSZXFLNPB-NSHDSACASA-N -1 3 326.316 2.058 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129611095 810920534 /nfs/dbraw/zinc/92/05/34/810920534.db2.gz UXWMBWPEDUXQIF-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129611095 810920540 /nfs/dbraw/zinc/92/05/40/810920540.db2.gz UXWMBWPEDUXQIF-UHFFFAOYSA-N -1 3 342.290 2.475 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452726839 1105663941 /nfs/dbraw/zinc/66/39/41/1105663941.db2.gz NTSHKAPCURVYKD-VIFPVBQESA-N -1 3 334.307 2.101 10 5 EEBEHM CCOc1nnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001454993527 1108080226 /nfs/dbraw/zinc/08/02/26/1108080226.db2.gz ZSTVAWJTDAYKBL-QMMMGPOBSA-N -1 3 337.361 2.231 10 5 EEBEHM CCOc1nc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC001454993527 1108080242 /nfs/dbraw/zinc/08/02/42/1108080242.db2.gz ZSTVAWJTDAYKBL-QMMMGPOBSA-N -1 3 337.361 2.231 10 5 EEBEHM CCOc1n[n-]c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC001454993527 1108080258 /nfs/dbraw/zinc/08/02/58/1108080258.db2.gz ZSTVAWJTDAYKBL-QMMMGPOBSA-N -1 3 337.361 2.231 10 5 EEBEHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1[n-]cnc1C(F)(F)F ZINC001466636952 1110440235 /nfs/dbraw/zinc/44/02/35/1110440235.db2.gz YXAIKYMYXYCCHL-UHFFFAOYSA-N -1 3 340.221 2.465 10 5 EEBEHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc[n-]c1C(F)(F)F ZINC001466636952 1110440236 /nfs/dbraw/zinc/44/02/36/1110440236.db2.gz YXAIKYMYXYCCHL-UHFFFAOYSA-N -1 3 340.221 2.465 10 5 EEBEHM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000040810210 213390311 /nfs/dbraw/zinc/39/03/11/213390311.db2.gz SUIKNKYJJOCEQA-UHFFFAOYSA-N -1 3 349.777 2.107 10 5 EEBEHM COCCNc1ncnc([N-]c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040656981 213365402 /nfs/dbraw/zinc/36/54/02/213365402.db2.gz GJOQRSHWQAWOLP-UHFFFAOYSA-N -1 3 325.275 2.465 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)c1 ZINC000183680690 235195787 /nfs/dbraw/zinc/19/57/87/235195787.db2.gz SDPGBYSANJHQJE-KOLCDFICSA-N -1 3 348.808 2.138 10 5 EEBEHM CN(C)Cc1ccccc1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343486821 161140744 /nfs/dbraw/zinc/14/07/44/161140744.db2.gz XOXZXWMSDHYBQM-UHFFFAOYSA-N -1 3 329.356 2.292 10 5 EEBEHM CCC[C@]1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCOC1 ZINC000352329495 162090753 /nfs/dbraw/zinc/09/07/53/162090753.db2.gz KZUNWJYXZUOTHX-HNNXBMFYSA-N -1 3 342.417 2.449 10 5 EEBEHM CCCn1c(=O)[n-]nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352931285 162350597 /nfs/dbraw/zinc/35/05/97/162350597.db2.gz OPLBVKKHESHFRB-UHFFFAOYSA-N -1 3 334.361 2.471 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C)C2)c1 ZINC000272464897 274171804 /nfs/dbraw/zinc/17/18/04/274171804.db2.gz MCAXZAVJTQINBX-NXEZZACHSA-N -1 3 348.808 2.402 10 5 EEBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CSC2(C)C)c1C ZINC000338451477 301860532 /nfs/dbraw/zinc/86/05/32/301860532.db2.gz FMCJLTBZBOYMNV-LLVKDONJSA-N -1 3 330.431 2.384 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C)CC=CCC1 ZINC000416560836 313258720 /nfs/dbraw/zinc/25/87/20/313258720.db2.gz RNRLUTSOONEDCP-CQSZACIVSA-N -1 3 326.374 2.381 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000574340085 320016975 /nfs/dbraw/zinc/01/69/75/320016975.db2.gz UCFBORMGIHYNOG-MRVPVSSYSA-N -1 3 343.386 2.099 10 5 EEBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C1CC1)C1CC1 ZINC000595363370 468825606 /nfs/dbraw/zinc/82/56/06/468825606.db2.gz CGGMKSFBQQCROB-UHFFFAOYSA-N -1 3 340.401 2.460 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601388982 468853950 /nfs/dbraw/zinc/85/39/50/468853950.db2.gz BIHOEUVGXRYIFQ-WCQYABFASA-N -1 3 346.430 2.201 10 5 EEBEHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601433254 468871037 /nfs/dbraw/zinc/87/10/37/468871037.db2.gz DTOKMILLYYPGOQ-NXEZZACHSA-N -1 3 334.419 2.201 10 5 EEBEHM COCC1(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601451516 468879269 /nfs/dbraw/zinc/87/92/69/468879269.db2.gz CTUQTLWYFWSBCE-UHFFFAOYSA-N -1 3 346.380 2.137 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])s1 ZINC000601474511 468889946 /nfs/dbraw/zinc/88/99/46/468889946.db2.gz ROMBGHXZESHRPR-DKIAZLNASA-N -1 3 334.419 2.055 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599364916 469228473 /nfs/dbraw/zinc/22/84/73/469228473.db2.gz OPMUEFXRDADKOS-JTQLQIEISA-N -1 3 334.419 2.060 10 5 EEBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000619478822 469620774 /nfs/dbraw/zinc/62/07/74/469620774.db2.gz XCSDYGCOLGLPBG-QWHCGFSZSA-N -1 3 348.380 2.438 10 5 EEBEHM Cc1ccc([O-])c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000159170672 534193528 /nfs/dbraw/zinc/19/35/28/534193528.db2.gz GZPQRZPMNIXZQF-UHFFFAOYSA-N -1 3 328.372 2.326 10 5 EEBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000778963156 1208421748 /nfs/dbraw/zinc/42/17/48/1208421748.db2.gz VKVOTCNXSHJLCN-BQYQJAHWSA-N -1 3 330.300 2.146 10 5 EEBEHM CCOC(=O)c1cc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])c(F)cc1C ZINC001157648043 1318767060 /nfs/dbraw/zinc/76/70/60/1318767060.db2.gz YRVFIMUOYPQHIQ-UHFFFAOYSA-N -1 3 336.279 2.194 10 5 EEBEHM COCCCn1ccc([N-]c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC001162576792 1320902216 /nfs/dbraw/zinc/90/22/16/1320902216.db2.gz SISUJYVXJGSHTB-UHFFFAOYSA-N -1 3 348.285 2.324 10 5 EEBEHM O=C(Cc1ccc([O-])c(F)c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001290824820 1328282693 /nfs/dbraw/zinc/28/26/93/1328282693.db2.gz ZEADXFXTUYUHET-UHFFFAOYSA-N -1 3 333.319 2.210 10 5 EEBEHM Cc1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc(C)n1 ZINC001320701920 1332937245 /nfs/dbraw/zinc/93/72/45/1332937245.db2.gz MMLOIVLXOMDNFI-UHFFFAOYSA-N -1 3 335.385 2.446 10 5 EEBEHM COc1cccc([O-])c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001616322610 1352327679 /nfs/dbraw/zinc/32/76/79/1352327679.db2.gz GJGFOJPNVKWDCE-UHFFFAOYSA-N -1 3 332.312 2.118 10 5 EEBEHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1nc(Cl)ccc1F ZINC001624947771 1352435527 /nfs/dbraw/zinc/43/55/27/1352435527.db2.gz FPXBKXMQHOIFIA-UHFFFAOYSA-N -1 3 326.671 2.438 10 5 EEBEHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1-n1ccnc1 ZINC001628101506 1352521426 /nfs/dbraw/zinc/52/14/26/1352521426.db2.gz VEZAXORKVKSWRG-UHFFFAOYSA-N -1 3 339.311 2.442 10 5 EEBEHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001640461495 1352710287 /nfs/dbraw/zinc/71/02/87/1352710287.db2.gz IQRKKNUOZPTFQR-RXMQYKEDSA-N -1 3 344.253 2.004 10 5 EEBEHM Cc1cc(N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001642862651 1352739074 /nfs/dbraw/zinc/73/90/74/1352739074.db2.gz JBZGAATZEVKKAP-WDEREUQCSA-N -1 3 345.359 2.474 10 5 EEBEHM O=C([O-])c1cccc2c1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000846275735 790111788 /nfs/dbraw/zinc/11/17/88/790111788.db2.gz JSUFOMWRLNTKPF-KRWDZBQOSA-N -1 3 342.351 2.385 10 5 EEBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1noc2c1CCc1ccccc1-2 ZINC001128320683 798843204 /nfs/dbraw/zinc/84/32/04/798843204.db2.gz FGLHTMMLNRWJAL-UHFFFAOYSA-N -1 3 339.311 2.334 10 5 EEBEHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001535579980 1123580251 /nfs/dbraw/zinc/58/02/51/1123580251.db2.gz YLCKLNNIHBNPHS-UHFFFAOYSA-N -1 3 332.291 2.131 10 5 EEBEHM CCNc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC001535600278 1123585462 /nfs/dbraw/zinc/58/54/62/1123585462.db2.gz FDROXYGJJOUIEP-UHFFFAOYSA-N -1 3 344.253 2.416 10 5 EEBEHM CCNc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001535600278 1123585465 /nfs/dbraw/zinc/58/54/65/1123585465.db2.gz FDROXYGJJOUIEP-UHFFFAOYSA-N -1 3 344.253 2.416 10 5 EEBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1noc2c1CCc1ccccc1-2 ZINC001540170369 1124076634 /nfs/dbraw/zinc/07/66/34/1124076634.db2.gz KJMHCZXLKGFGLA-UHFFFAOYSA-N -1 3 339.311 2.334 10 5 EEBEHM CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccs2)c1 ZINC000050651224 214063203 /nfs/dbraw/zinc/06/32/03/214063203.db2.gz SQBLBVUFNMHFCN-UHFFFAOYSA-N -1 3 327.387 2.177 10 5 EEBEHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cnc(Cl)s2)c1 ZINC000052943141 214156380 /nfs/dbraw/zinc/15/63/80/214156380.db2.gz OQXMISPKFVSVDC-UHFFFAOYSA-N -1 3 333.778 2.183 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)SC ZINC000266426569 248295330 /nfs/dbraw/zinc/29/53/30/248295330.db2.gz HLICPDBIEKZBLO-UHFFFAOYSA-N -1 3 334.419 2.023 10 5 EEBEHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000354632799 162932657 /nfs/dbraw/zinc/93/26/57/162932657.db2.gz YTISQDTUAOXUDS-SNVBAGLBSA-N -1 3 338.366 2.262 10 5 EEBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000376403589 167319421 /nfs/dbraw/zinc/31/94/21/167319421.db2.gz ZPUUQZLUUDNDBB-UHFFFAOYSA-N -1 3 345.344 2.101 10 5 EEBEHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000354338596 275001585 /nfs/dbraw/zinc/00/15/85/275001585.db2.gz IBRIPTNCRLPQEN-UHFFFAOYSA-N -1 3 345.315 2.004 10 5 EEBEHM CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccccc1 ZINC000179224725 290143194 /nfs/dbraw/zinc/14/31/94/290143194.db2.gz FMCQXZGPODLZRO-PBHICJAKSA-N -1 3 341.367 2.476 10 5 EEBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000058507024 463605218 /nfs/dbraw/zinc/60/52/18/463605218.db2.gz FNNHZDWTEYKVIN-GFCCVEGCSA-N -1 3 334.353 2.315 10 5 EEBEHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273159008 464706333 /nfs/dbraw/zinc/70/63/33/464706333.db2.gz NFACYUVPPJCCAJ-JTQLQIEISA-N -1 3 344.389 2.238 10 5 EEBEHM Cc1nn(Cc2nc(=O)c3c4c(sc3[n-]2)CCC4)cc1[N+](=O)[O-] ZINC000450954719 467215327 /nfs/dbraw/zinc/21/53/27/467215327.db2.gz CDPJYRBGPQYMAV-UHFFFAOYSA-N -1 3 331.357 2.347 10 5 EEBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2Cl)CCC3=O)n1 ZINC000429487488 467340649 /nfs/dbraw/zinc/34/06/49/467340649.db2.gz YIAUHGRTKYMTKP-UHFFFAOYSA-N -1 3 334.719 2.363 10 5 EEBEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594853364 468706266 /nfs/dbraw/zinc/70/62/66/468706266.db2.gz YEGKOEZDZIVVJR-KOLCDFICSA-N -1 3 348.808 2.484 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]CCCCOC(C)C)c([N+](=O)[O-])s1 ZINC000601391237 468854898 /nfs/dbraw/zinc/85/48/98/468854898.db2.gz NFHKTYDPAMYQMJ-UHFFFAOYSA-N -1 3 336.435 2.448 10 5 EEBEHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601392972 468856122 /nfs/dbraw/zinc/85/61/22/468856122.db2.gz XOWPRDMISLSVHU-UHFFFAOYSA-N -1 3 336.435 2.306 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])s1 ZINC000601396420 468857679 /nfs/dbraw/zinc/85/76/79/468857679.db2.gz XYDMLEMDUOIBPE-SECBINFHSA-N -1 3 334.419 2.201 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598623284 468936703 /nfs/dbraw/zinc/93/67/03/468936703.db2.gz VQDZXDRRRLWATA-SSDOTTSWSA-N -1 3 326.346 2.288 10 5 EEBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000572707287 468975895 /nfs/dbraw/zinc/97/58/95/468975895.db2.gz VWUGZKRNZCKFJD-UHFFFAOYSA-N -1 3 348.746 2.251 10 5 EEBEHM CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593607819 469057536 /nfs/dbraw/zinc/05/75/36/469057536.db2.gz IKIJEJFUOFXBCK-VXGBXAGGSA-N -1 3 327.406 2.483 10 5 EEBEHM CC1(C(=O)C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000599472802 469268608 /nfs/dbraw/zinc/26/86/08/469268608.db2.gz QUJQUTMXYQIAEN-UHFFFAOYSA-N -1 3 340.401 2.164 10 5 EEBEHM C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000866166917 1201452914 /nfs/dbraw/zinc/45/29/14/1201452914.db2.gz PVEQRAVBACSJRN-SECBINFHSA-N -1 3 340.286 2.177 10 5 EEBEHM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000867678451 1295676070 /nfs/dbraw/zinc/67/60/70/1295676070.db2.gz UCCLNEUGMVMCEJ-KYZUINATSA-N -1 3 336.822 2.421 10 5 EEBEHM C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001179182330 799798598 /nfs/dbraw/zinc/79/85/98/799798598.db2.gz CXNFHGUPLRJPSK-YFKPBYRVSA-N -1 3 347.228 2.362 10 5 EEBEHM CC(C)(C)OC(=O)N1CC(Sc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001458514634 1109885277 /nfs/dbraw/zinc/88/52/77/1109885277.db2.gz LFDQAXRNIUJKRB-UHFFFAOYSA-N -1 3 327.362 2.407 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C ZINC000052781854 214144574 /nfs/dbraw/zinc/14/45/74/214144574.db2.gz BQARSXZPXREJHO-CMPLNLGQSA-N -1 3 328.390 2.460 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000191718340 237269971 /nfs/dbraw/zinc/26/99/71/237269971.db2.gz WNURLTXVQDTNJB-UHFFFAOYSA-N -1 3 347.306 2.087 10 5 EEBEHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000170735774 311394734 /nfs/dbraw/zinc/39/47/34/311394734.db2.gz WQPXIEYGPNAWEC-OAHLLOKOSA-N -1 3 336.369 2.261 10 5 EEBEHM COC(=O)c1cc(NC(=O)c2cc([O-])ccc2OC)cc([N+](=O)[O-])c1 ZINC000444039181 315270935 /nfs/dbraw/zinc/27/09/35/315270935.db2.gz LCZXYJMAWPRXII-UHFFFAOYSA-N -1 3 346.295 2.348 10 5 EEBEHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(C)(C)C ZINC000581135038 324193601 /nfs/dbraw/zinc/19/36/01/324193601.db2.gz BTOWBEORLORXNR-SECBINFHSA-N -1 3 344.389 2.094 10 5 EEBEHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000295389541 464813013 /nfs/dbraw/zinc/81/30/13/464813013.db2.gz FYKMLMYWXBUOJO-NXEZZACHSA-N -1 3 338.257 2.207 10 5 EEBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccnc2C(F)(F)F)n1 ZINC000346222704 466005172 /nfs/dbraw/zinc/00/51/72/466005172.db2.gz VCUHRPMETWACJW-UHFFFAOYSA-N -1 3 329.238 2.477 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(F)(F)F ZINC000362095064 466552108 /nfs/dbraw/zinc/55/21/08/466552108.db2.gz PJPWSJNJOHHQRY-SSDOTTSWSA-N -1 3 342.295 2.223 10 5 EEBEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000420727912 467465550 /nfs/dbraw/zinc/46/55/50/467465550.db2.gz OWXYDOQDNSMVSX-MWLCHTKSSA-N -1 3 348.808 2.484 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594854072 468707149 /nfs/dbraw/zinc/70/71/49/468707149.db2.gz XMYJRXQZWAZTNI-GMXVVIOVSA-N -1 3 340.401 2.318 10 5 EEBEHM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 ZINC000594865335 468711757 /nfs/dbraw/zinc/71/17/57/468711757.db2.gz WPFNTEJAOZDNPB-AWEZNQCLSA-N -1 3 328.390 2.460 10 5 EEBEHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000592763611 468779000 /nfs/dbraw/zinc/77/90/00/468779000.db2.gz XDCKSIRWZZDLNC-NSHDSACASA-N -1 3 339.779 2.263 10 5 EEBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601369584 468845132 /nfs/dbraw/zinc/84/51/32/468845132.db2.gz GWXZZOVNVDGDFZ-WPRPVWTQSA-N -1 3 334.419 2.058 10 5 EEBEHM COC1CCC([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601436076 468872806 /nfs/dbraw/zinc/87/28/06/468872806.db2.gz CJKUUOHNYNYQNX-UHFFFAOYSA-N -1 3 334.419 2.201 10 5 EEBEHM CCOC(=O)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000610724617 469050858 /nfs/dbraw/zinc/05/08/58/469050858.db2.gz UPGJAUMBZVRYND-UHFFFAOYSA-N -1 3 336.329 2.184 10 5 EEBEHM COc1ccccc1[C@H]1CNCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593727085 469111037 /nfs/dbraw/zinc/11/10/37/469111037.db2.gz CNADWMZMCYOJHN-QGZVFWFLSA-N -1 3 343.383 2.456 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000599364484 469229052 /nfs/dbraw/zinc/22/90/52/469229052.db2.gz KAJVFAZUTYSGPB-JTQLQIEISA-N -1 3 348.808 2.343 10 5 EEBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)cc1C ZINC000599397273 469242388 /nfs/dbraw/zinc/24/23/88/469242388.db2.gz OKZPSAJTAGFISQ-XHDPSFHLSA-N -1 3 340.401 2.057 10 5 EEBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000613476800 469719368 /nfs/dbraw/zinc/71/93/68/469719368.db2.gz SFIGTKNKLMIWOF-SECBINFHSA-N -1 3 341.414 2.442 10 5 EEBEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)n1 ZINC001164131477 1321299304 /nfs/dbraw/zinc/29/93/04/1321299304.db2.gz SILVFAXGHZWQHR-GFCCVEGCSA-N -1 3 344.375 2.183 10 5 EEBEHM CCn1c(C)cc2n[n-]c(NC(=O)c3csc([N+](=O)[O-])c3)c2c1=O ZINC001611482154 1352301244 /nfs/dbraw/zinc/30/12/44/1352301244.db2.gz RSWOTEYYUFSJKR-UHFFFAOYSA-N -1 3 347.356 2.275 10 5 EEBEHM Cc1nc(N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001612539658 1352309000 /nfs/dbraw/zinc/30/90/00/1352309000.db2.gz WCLRXZNTKUZZCF-UWVGGRQHSA-N -1 3 345.359 2.474 10 5 EEBEHM O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628246560 1352526709 /nfs/dbraw/zinc/52/67/09/1352526709.db2.gz RGCYFCXWZNMGFD-VIFPVBQESA-N -1 3 341.327 2.135 10 5 EEBEHM O=C(Nc1nc2cc(Cl)ccc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184225785 801935616 /nfs/dbraw/zinc/93/56/16/801935616.db2.gz GMQLBORNWOZZEF-UHFFFAOYSA-N -1 3 333.691 2.477 10 5 EEBEHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC001532770715 1122931170 /nfs/dbraw/zinc/93/11/70/1122931170.db2.gz RJJLEURXVJQWCQ-UHFFFAOYSA-N -1 3 334.719 2.337 10 5 EEBEHM CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]1c1ccccc1 ZINC000185736960 274022227 /nfs/dbraw/zinc/02/22/27/274022227.db2.gz HCWQYHJPYJEJAT-RDJZCZTQSA-N -1 3 341.367 2.476 10 5 EEBEHM O=c1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH][n-]1 ZINC000289518311 275123754 /nfs/dbraw/zinc/12/37/54/275123754.db2.gz VMRAAILVVCNVDT-UHFFFAOYSA-N -1 3 337.767 2.039 10 5 EEBEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000292691557 275465683 /nfs/dbraw/zinc/46/56/83/275465683.db2.gz CPLJWRBSJWHOIO-UHFFFAOYSA-N -1 3 339.373 2.241 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000425199422 314354900 /nfs/dbraw/zinc/35/49/00/314354900.db2.gz ZDBOSSBYOCLPAH-AAEUAGOBSA-N -1 3 340.401 2.318 10 5 EEBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C ZINC000052781852 463106232 /nfs/dbraw/zinc/10/62/32/463106232.db2.gz BQARSXZPXREJHO-JQWIXIFHSA-N -1 3 328.390 2.460 10 5 EEBEHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(-c2nnc[nH]2)c1 ZINC000166189496 463652335 /nfs/dbraw/zinc/65/23/35/463652335.db2.gz PRNPXLRZZIVENN-UHFFFAOYSA-N -1 3 325.284 2.338 10 5 EEBEHM O=C(Nc1nc(-c2ccccn2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193373914 463709164 /nfs/dbraw/zinc/70/91/64/463709164.db2.gz KQNWQMMTOQACFQ-UHFFFAOYSA-N -1 3 343.324 2.466 10 5 EEBEHM COc1ccc([N-]C(=O)c2cnc(OCC3CC3)cn2)c([N+](=O)[O-])c1 ZINC000283813082 464020396 /nfs/dbraw/zinc/02/03/96/464020396.db2.gz IVFNAQSFGNRTLZ-UHFFFAOYSA-N -1 3 344.327 2.435 10 5 EEBEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CCOCC1 ZINC000601362757 468841204 /nfs/dbraw/zinc/84/12/04/468841204.db2.gz QYTSIKALHWREFV-LLVKDONJSA-N -1 3 348.446 2.448 10 5 EEBEHM COC1CC(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601461434 468883805 /nfs/dbraw/zinc/88/38/05/468883805.db2.gz DNRZSNSHJPOLRZ-UHFFFAOYSA-N -1 3 346.380 2.136 10 5 EEBEHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1[N+](=O)[O-] ZINC001197506902 1284667520 /nfs/dbraw/zinc/66/75/20/1284667520.db2.gz NCALYKWWOBANLA-JTQLQIEISA-N -1 3 330.344 2.014 10 5 EEBEHM CCn1nccc1C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000853877332 1292503690 /nfs/dbraw/zinc/50/36/90/1292503690.db2.gz UXMAGYQZXXVZBV-UHFFFAOYSA-N -1 3 340.286 2.099 10 5 EEBEHM CCOc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001639634847 1352700113 /nfs/dbraw/zinc/70/01/13/1352700113.db2.gz GXDMRKCIMYOZEJ-LLVKDONJSA-N -1 3 346.343 2.052 10 5 EEBEHM O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(Cc2nn[n-]n2)CC1 ZINC001655485886 1354175627 /nfs/dbraw/zinc/17/56/27/1354175627.db2.gz MXSMYEKLQRHUAO-UHFFFAOYSA-N -1 3 336.783 2.216 10 5 EEBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC001144385109 789685241 /nfs/dbraw/zinc/68/52/41/789685241.db2.gz QNAIUWNOVVOYKC-UHFFFAOYSA-N -1 3 330.344 2.372 10 5 EEBEHM