smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(c1ccco1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000095944547 185037230 /nfs/dbraw/zinc/03/72/30/185037230.db2.gz GCTUZSWLVCOKTQ-UHFFFAOYSA-N 0 0 298.096 3.113 10 5 CGBERN O=[N+]([O-])c1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000035654097 344942715 /nfs/dbraw/zinc/94/27/15/344942715.db2.gz CJCGAVXNUKYGHV-UHFFFAOYSA-N 0 0 278.271 3.114 10 5 CGBERN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000080649627 345681257 /nfs/dbraw/zinc/68/12/57/345681257.db2.gz YVZMVULKLXBVRP-STQMWFEESA-N 0 0 288.347 3.144 10 5 CGBERN CC(C)c1ccc2oc3ncc(C=O)cc3c(=O)c2c1 ZINC000136516186 346091555 /nfs/dbraw/zinc/09/15/55/346091555.db2.gz KDJMZMGCDNIYKD-UHFFFAOYSA-N 0 0 267.284 3.277 10 5 CGBERN COc1ccc(Nc2ccncc2[N+](=O)[O-])c(C)c1 ZINC000144854284 346119225 /nfs/dbraw/zinc/11/92/25/346119225.db2.gz CNMMQTAIJHJVDY-UHFFFAOYSA-N 0 0 259.265 3.050 10 5 CGBERN Nc1cccc2c1CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000038000008 136581706 /nfs/dbraw/zinc/58/17/06/136581706.db2.gz HHKQJIMJSGVORS-UHFFFAOYSA-N 0 0 283.331 3.130 10 5 CGBERN Cc1ccc([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595431766 347303023 /nfs/dbraw/zinc/30/30/23/347303023.db2.gz OUNDKVKNMJDQCC-JTQLQIEISA-N 0 0 278.283 3.486 10 5 CGBERN Cc1cc(N2CCC[C@@H]2c2ccco2)ncc1[N+](=O)[O-] ZINC000301462604 201018222 /nfs/dbraw/zinc/01/82/22/201018222.db2.gz ZVBROHKFEJRLHH-LLVKDONJSA-N 0 0 273.292 3.233 10 5 CGBERN COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H](OC)C1 ZINC000301753975 201177967 /nfs/dbraw/zinc/17/79/67/201177967.db2.gz CGDTZXGWWAXXHK-JSGCOSHPSA-N 0 0 294.351 3.111 10 5 CGBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccsc1 ZINC000301983817 201286433 /nfs/dbraw/zinc/28/64/33/201286433.db2.gz AXXCJGAEVQMKQR-JTQLQIEISA-N 0 0 292.360 3.364 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218866782 376191107 /nfs/dbraw/zinc/19/11/07/376191107.db2.gz FYHJQJBVTFTBRU-SCZZXKLOSA-N 0 0 268.288 3.343 10 5 CGBERN Cc1nc([C@@H]2CCCN2c2ncc([N+](=O)[O-])s2)cs1 ZINC000192539507 189623653 /nfs/dbraw/zinc/62/36/53/189623653.db2.gz GEQBADQRDKELLE-VIFPVBQESA-N 0 0 296.377 3.158 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[C@H](C)C2)c1 ZINC000302532285 201473251 /nfs/dbraw/zinc/47/32/51/201473251.db2.gz LOCRICQETOZXRA-IUCAKERBSA-N 0 0 268.288 3.343 10 5 CGBERN Cc1ccc(F)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000004548682 368550676 /nfs/dbraw/zinc/55/06/76/368550676.db2.gz ATBQMFOQZAUBIL-GQCTYLIASA-N 0 0 290.250 3.287 10 5 CGBERN CC(C)Nc1cc([N+](=O)[O-])ccc1Br ZINC000041578978 369191973 /nfs/dbraw/zinc/19/19/73/369191973.db2.gz TWSKFAREHFXYQE-UHFFFAOYSA-N 0 0 259.103 3.178 10 5 CGBERN CCNc1ccc(C(=O)N[C@H](CC)C(C)C)cc1[N+](=O)[O-] ZINC000049091678 369387471 /nfs/dbraw/zinc/38/74/71/369387471.db2.gz CVUABSWRZLHIGO-GFCCVEGCSA-N 0 0 293.367 3.191 10 5 CGBERN CCC1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074385648 369875953 /nfs/dbraw/zinc/87/59/53/369875953.db2.gz OPEWTDDNGPGYOB-UHFFFAOYSA-N 0 0 276.336 3.293 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCC1(O)CCCCCC1 ZINC000087089699 370026160 /nfs/dbraw/zinc/02/61/60/370026160.db2.gz TYIITSNUMBQTHQ-UHFFFAOYSA-N 0 0 282.315 3.231 10 5 CGBERN COc1cc(C)c2c(Cl)c(OC)cc([N+](=O)[O-])c2n1 ZINC000090516619 370061967 /nfs/dbraw/zinc/06/19/67/370061967.db2.gz VZVNAHCSVNVONJ-UHFFFAOYSA-N 0 0 282.683 3.122 10 5 CGBERN Nc1nn(C2CCCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000098178430 370267719 /nfs/dbraw/zinc/26/77/19/370267719.db2.gz FXROLUQEMIFFHM-UHFFFAOYSA-N 0 0 260.297 3.032 10 5 CGBERN Cc1csc(CN(C)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000301298821 373737355 /nfs/dbraw/zinc/73/73/55/373737355.db2.gz TXZCFCBZRLEANS-UHFFFAOYSA-N 0 0 281.312 3.135 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336813678 375966709 /nfs/dbraw/zinc/96/67/09/375966709.db2.gz VEHZTAUZFYVRIP-IONNQARKSA-N 0 0 278.337 3.200 10 5 CGBERN CC[C@@](C)(CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231676762 376565009 /nfs/dbraw/zinc/56/50/09/376565009.db2.gz YCDVUYMAKYMXPZ-LBPRGKRZSA-N 0 0 272.732 3.211 10 5 CGBERN C[N@+]1([O-])CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000248082404 377266485 /nfs/dbraw/zinc/26/64/85/377266485.db2.gz VVDXWJOYXVNLLQ-ICSRJNTNSA-N 0 0 280.371 3.097 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(CC)c1OC(F)F ZINC000575654596 377931845 /nfs/dbraw/zinc/93/18/45/377931845.db2.gz DGEINQXMRADMCC-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1ccc(CC)c(OC(F)F)c1[N+](=O)[O-] ZINC000575655162 377933067 /nfs/dbraw/zinc/93/30/67/377933067.db2.gz KEAJRUUFPKEIGP-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(OC(F)F)c(C(F)(F)F)c1 ZINC000575667306 377945356 /nfs/dbraw/zinc/94/53/56/377945356.db2.gz PHPWDTIVFPWIDR-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(C(C)=O)c1C(F)F ZINC000575668529 377946294 /nfs/dbraw/zinc/94/62/94/377946294.db2.gz ZBYXTBPFDNHKFH-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN CCOc1cc(C(F)F)cc(C(C)=O)c1[N+](=O)[O-] ZINC000575668519 377946418 /nfs/dbraw/zinc/94/64/18/377946418.db2.gz ZAAYVSIOQNJZEC-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN CCOC(=O)Cc1c(C)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575673369 377948538 /nfs/dbraw/zinc/94/85/38/377948538.db2.gz JSMNAFVJKJKRGV-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575673907 377949460 /nfs/dbraw/zinc/94/94/60/377949460.db2.gz PPVYQJILVYLQBJ-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(C)cc1OC(F)(F)F ZINC000575679171 377952723 /nfs/dbraw/zinc/95/27/23/377952723.db2.gz NEABOGJLKOZMDR-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN COC(=O)CCCCCCCOc1cccc([N+](=O)[O-])c1 ZINC000575448286 377913623 /nfs/dbraw/zinc/91/36/23/377913623.db2.gz PMPUPWLZSVBRHL-UHFFFAOYSA-N 0 0 295.335 3.487 10 5 CGBERN COc1c(Br)c(C(F)F)ccc1[N+](=O)[O-] ZINC000575683973 377958064 /nfs/dbraw/zinc/95/80/64/377958064.db2.gz BFDRCZUXZQXIFS-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000575693780 377968679 /nfs/dbraw/zinc/96/86/79/377968679.db2.gz AJFIQUHMNLCXNF-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(Cl)c1C(F)(F)F ZINC000575694294 377969236 /nfs/dbraw/zinc/96/92/36/377969236.db2.gz LIJLVGNFUBLJGB-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CC(=O)c1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F ZINC000575695343 377969425 /nfs/dbraw/zinc/96/94/25/377969425.db2.gz LSWWOOHDKFQZCM-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN C[C@H]1C[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000052291987 392075524 /nfs/dbraw/zinc/07/55/24/392075524.db2.gz ABEBSWBPZQUMBB-RCOVLWMOSA-N 0 0 260.215 3.434 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000103365582 392275895 /nfs/dbraw/zinc/27/58/95/392275895.db2.gz MTWDWKFUNKSGAS-TXEJJXNPSA-N 0 0 276.336 3.306 10 5 CGBERN Cc1nc(CNc2ccc([N+](=O)[O-])cc2F)c(C)s1 ZINC000301839627 392599461 /nfs/dbraw/zinc/59/94/61/392599461.db2.gz OIOCFSOSKPRNGM-UHFFFAOYSA-N 0 0 281.312 3.419 10 5 CGBERN CC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000196133387 392975224 /nfs/dbraw/zinc/97/52/24/392975224.db2.gz IPRZDUKDJZQTRC-UHFFFAOYSA-N 0 0 271.272 3.376 10 5 CGBERN CC[C@H]1CCCCN1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000033500565 134772807 /nfs/dbraw/zinc/77/28/07/134772807.db2.gz RVTMGDKIGYZIET-LBPRGKRZSA-N 0 0 262.309 3.176 10 5 CGBERN CSc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000306676819 397678830 /nfs/dbraw/zinc/67/88/30/397678830.db2.gz XEUHSIOHHCROTG-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN Nc1c(F)ccc(-c2ccc([N+](=O)[O-])cc2)c1F ZINC000675057160 543311804 /nfs/dbraw/zinc/31/18/04/543311804.db2.gz WVLNANBZZIUXLE-UHFFFAOYSA-N 0 0 250.204 3.122 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000078586407 165137077 /nfs/dbraw/zinc/13/70/77/165137077.db2.gz BBZKLBPFUBATFW-NXEZZACHSA-N 0 0 267.354 3.076 10 5 CGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1 ZINC000007066014 170265638 /nfs/dbraw/zinc/26/56/38/170265638.db2.gz UAEZXQYGMJBCNX-GFCCVEGCSA-N 0 0 284.315 3.428 10 5 CGBERN COc1ccc(NCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000021015357 171289656 /nfs/dbraw/zinc/28/96/56/171289656.db2.gz VSOLKUIZVIZSEG-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN CSc1ccc(CN(C)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000022805457 171399560 /nfs/dbraw/zinc/39/95/60/171399560.db2.gz LPFNTHXFMRSSCO-UHFFFAOYSA-N 0 0 289.360 3.348 10 5 CGBERN Nc1ccc2nc3ccc(Br)cc3nc2c1 ZINC000034457049 171840700 /nfs/dbraw/zinc/84/07/00/171840700.db2.gz XVGQLJWOCYRWLN-UHFFFAOYSA-N 0 0 274.121 3.128 10 5 CGBERN CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C=O ZINC000034936660 171896536 /nfs/dbraw/zinc/89/65/36/171896536.db2.gz VDVFKWVDVPNOAS-UHFFFAOYSA-N 0 0 270.288 3.044 10 5 CGBERN Cc1cccc(OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000035183736 172037528 /nfs/dbraw/zinc/03/75/28/172037528.db2.gz BMDNJBYBOJQBSJ-UHFFFAOYSA-N 0 0 271.272 3.165 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc2c(c1)OCO2 ZINC000037331639 173132846 /nfs/dbraw/zinc/13/28/46/173132846.db2.gz WDVJLRGHNVGTIF-UHFFFAOYSA-N 0 0 293.666 3.116 10 5 CGBERN Cc1cccc(Oc2ccc(Cl)nn2)c1[N+](=O)[O-] ZINC000038082457 174091128 /nfs/dbraw/zinc/09/11/28/174091128.db2.gz VFDSWVYWOSJXQK-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN CCc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571141 174338541 /nfs/dbraw/zinc/33/85/41/174338541.db2.gz PGYTVAHYNNXRNG-UHFFFAOYSA-N 0 0 278.699 3.344 10 5 CGBERN CNc1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040595933 174348965 /nfs/dbraw/zinc/34/89/65/174348965.db2.gz JOOWHNICXDAXSS-UHFFFAOYSA-N 0 0 294.698 3.181 10 5 CGBERN CC(C)C[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1C=O ZINC000042585068 174808033 /nfs/dbraw/zinc/80/80/33/174808033.db2.gz XIWYIJDFGNBQTF-LLVKDONJSA-N 0 0 264.325 3.278 10 5 CGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cc[nH]c2c1 ZINC000070186475 270041043 /nfs/dbraw/zinc/04/10/43/270041043.db2.gz ZSLKRFQUOPQEKD-UHFFFAOYSA-N 0 0 281.271 3.328 10 5 CGBERN COC(=O)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1 ZINC000022003750 277425456 /nfs/dbraw/zinc/42/54/56/277425456.db2.gz QLBQDTHLYXLDOV-UHFFFAOYSA-N 0 0 257.245 3.048 10 5 CGBERN C[C@@H]1c2ccc(F)cc2CCN1c1ccncc1[N+](=O)[O-] ZINC000148466411 289070937 /nfs/dbraw/zinc/07/09/37/289070937.db2.gz AVDNOSDWQNFIOT-SNVBAGLBSA-N 0 0 287.294 3.253 10 5 CGBERN O=[N+]([O-])c1cnc(Oc2c(F)cccc2F)s1 ZINC000195506103 336055363 /nfs/dbraw/zinc/05/53/63/336055363.db2.gz DCQQBBILAFYFLH-UHFFFAOYSA-N 0 0 258.205 3.122 10 5 CGBERN CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161520705 523186703 /nfs/dbraw/zinc/18/67/03/523186703.db2.gz WWSWANZGKHZAMP-MNOVXSKESA-N 0 0 291.351 3.040 10 5 CGBERN CC[C@@H]1CCCC[C@@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454363 523207250 /nfs/dbraw/zinc/20/72/50/523207250.db2.gz SJIAAVFOKIFJHP-BDAKNGLRSA-N 0 0 285.731 3.386 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(F)cc(F)c1 ZINC000050454776 527320027 /nfs/dbraw/zinc/32/00/27/527320027.db2.gz QHVADLQFWNWXQE-UHFFFAOYSA-N 0 0 286.625 3.060 10 5 CGBERN Cc1cnc([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000220952159 619444835 /nfs/dbraw/zinc/44/48/35/619444835.db2.gz RWPUGUWKPAMUBT-VIFPVBQESA-N 0 0 295.726 3.395 10 5 CGBERN CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000324342419 623795714 /nfs/dbraw/zinc/79/57/14/623795714.db2.gz NADQSGCVAKDIRS-LLVKDONJSA-N 0 0 288.294 3.351 10 5 CGBERN CCCCn1nc(Cl)c([N+](=O)[O-])c1C(F)(F)F ZINC000757567536 630449736 /nfs/dbraw/zinc/44/97/36/630449736.db2.gz JHXCCYVSZKWDRN-UHFFFAOYSA-N 0 0 271.626 3.264 10 5 CGBERN CC(C)n1nc(Cl)c([N+](=O)[O-])c1C(F)(F)F ZINC000757568379 630621132 /nfs/dbraw/zinc/62/11/32/630621132.db2.gz LZLVFWRRWATUJT-UHFFFAOYSA-N 0 0 257.599 3.044 10 5 CGBERN Cc1ccc([C@H](C)OC(=O)C2=COCCC2)cc1[N+](=O)[O-] ZINC000084808145 636765652 /nfs/dbraw/zinc/76/56/52/636765652.db2.gz HKBRLXHKTVMHCK-NSHDSACASA-N 0 0 291.303 3.202 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1cccnc1 ZINC000588439444 799693829 /nfs/dbraw/zinc/69/38/29/799693829.db2.gz WLNOACSQDQNRIF-BENRWUELSA-N 0 0 297.314 3.056 10 5 CGBERN O=[N+]([O-])CC1=Cc2ccc(Br)cc2CC1 ZINC000082048725 177918206 /nfs/dbraw/zinc/91/82/06/177918206.db2.gz BELNWOAXZGXGDF-UHFFFAOYSA-N 0 0 268.110 3.055 10 5 CGBERN CC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000132804782 529675856 /nfs/dbraw/zinc/67/58/56/529675856.db2.gz GRASNKVDUGGMEK-NSHDSACASA-N 0 0 291.351 3.326 10 5 CGBERN CC(C)n1nc(C(F)(F)F)c([N+](=O)[O-])c1Cl ZINC000085019116 345744132 /nfs/dbraw/zinc/74/41/32/345744132.db2.gz MMRUGIBPRHSKOV-UHFFFAOYSA-N 0 0 257.599 3.044 10 5 CGBERN Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000158583250 232238966 /nfs/dbraw/zinc/23/89/66/232238966.db2.gz OQJDUMWBFKBDDZ-NWDGAFQWSA-N 0 0 290.363 3.411 10 5 CGBERN O=[N+]([O-])c1ccccc1N[C@H](CO)c1ccc(Cl)cc1 ZINC000092961149 345864593 /nfs/dbraw/zinc/86/45/93/345864593.db2.gz SDOORFIQFUKMPO-CYBMUJFWSA-N 0 0 292.722 3.394 10 5 CGBERN O=[N+]([O-])c1cnc2c(F)c(F)cc(F)c2c1Cl ZINC000098061904 345910238 /nfs/dbraw/zinc/91/02/38/345910238.db2.gz XCUQUMXCVXXFRM-UHFFFAOYSA-N 0 0 262.574 3.214 10 5 CGBERN CC(=O)N1CCCC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000113736240 345961398 /nfs/dbraw/zinc/96/13/98/345961398.db2.gz SLXHZFHIWRCZSO-UHFFFAOYSA-N 0 0 262.309 3.019 10 5 CGBERN O=[N+]([O-])CCc1ccc(NCc2ccccc2)cc1 ZINC000113993313 345963460 /nfs/dbraw/zinc/96/34/60/345963460.db2.gz JULPFZAHMVDBHV-UHFFFAOYSA-N 0 0 256.305 3.118 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCCC[C@H]2O)c(Cl)c1 ZINC000135790495 346088570 /nfs/dbraw/zinc/08/85/70/346088570.db2.gz IPCFTYQVTHNXTO-CHWSQXEVSA-N 0 0 284.743 3.354 10 5 CGBERN CCCn1c2ccc(OCC)cc2c(=O)c2cccnc21 ZINC000085346520 179028994 /nfs/dbraw/zinc/02/89/94/179028994.db2.gz AYBZBUZIEUMQOQ-UHFFFAOYSA-N 0 0 282.343 3.358 10 5 CGBERN CC(C)(C)OC(=O)n1nc(Cl)c2cc([N+](=O)[O-])ccc21 ZINC000382704927 346560735 /nfs/dbraw/zinc/56/07/35/346560735.db2.gz RTYQDQXBPMQCHV-UHFFFAOYSA-N 0 0 297.698 3.381 10 5 CGBERN O=[N+]([O-])c1c(Br)c(F)ccc1OC(F)F ZINC000396042430 346578686 /nfs/dbraw/zinc/57/86/86/346578686.db2.gz RWQWTXJGBBZEPY-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC2(CC2)C1 ZINC000400361556 346589444 /nfs/dbraw/zinc/58/94/44/346589444.db2.gz YKNZMENCYGNHJB-UHFFFAOYSA-N 0 0 297.152 3.348 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000514282164 346637947 /nfs/dbraw/zinc/63/79/47/346637947.db2.gz UOGSGUZEALZDSR-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN COc1ccc([N+](=O)[O-])cc1CNc1ccnc(Cl)c1 ZINC000122538481 187037552 /nfs/dbraw/zinc/03/75/52/187037552.db2.gz USGPKFZWSQNLBX-UHFFFAOYSA-N 0 0 293.710 3.264 10 5 CGBERN C[C@@H](COCc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000172780910 188826627 /nfs/dbraw/zinc/82/66/27/188826627.db2.gz SCRXVTHDLZQDON-LBPRGKRZSA-N 0 0 287.319 3.007 10 5 CGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccc([N+](=O)[O-])cc1 ZINC000112209105 138364401 /nfs/dbraw/zinc/36/44/01/138364401.db2.gz JIUGZAOHXKCOHK-UHFFFAOYSA-N 0 0 287.275 3.424 10 5 CGBERN COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H](OC)C1 ZINC000301753977 201178836 /nfs/dbraw/zinc/17/88/36/201178836.db2.gz CGDTZXGWWAXXHK-OCCSQVGLSA-N 0 0 294.351 3.111 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301765770 201184820 /nfs/dbraw/zinc/18/48/20/201184820.db2.gz HVGMXXYHEHSYQP-WCBMZHEXSA-N 0 0 285.731 3.013 10 5 CGBERN CC[C@@H](CSC)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218873927 376191172 /nfs/dbraw/zinc/19/11/72/376191172.db2.gz CMTKXEPKUMLOCI-JTQLQIEISA-N 0 0 254.355 3.457 10 5 CGBERN COc1cc(Br)cc2cc([N+](=O)[O-])oc21 ZINC000205164889 189684272 /nfs/dbraw/zinc/68/42/72/189684272.db2.gz MUTOKEBQSWWYGG-UHFFFAOYSA-N 0 0 272.054 3.112 10 5 CGBERN O=[N+]([O-])c1ccc2ncc(-c3ccccc3)nc2c1 ZINC000013756093 368666211 /nfs/dbraw/zinc/66/62/11/368666211.db2.gz HASZECUYNSLBOB-UHFFFAOYSA-N 0 0 251.245 3.205 10 5 CGBERN O=c1c2cc(Cl)cc(Cl)c2[nH]c2cc(O)cc(O)c12 ZINC000027557640 368873025 /nfs/dbraw/zinc/87/30/25/368873025.db2.gz UUZPECDZRGUHLS-UHFFFAOYSA-N 0 0 296.109 3.399 10 5 CGBERN CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1C=O ZINC000034956992 368982308 /nfs/dbraw/zinc/98/23/08/368982308.db2.gz YVQGZRGTKRYZBA-UHFFFAOYSA-N 0 0 256.261 3.175 10 5 CGBERN Cc1c(Cl)c([N+](=O)[O-])ccc1Br ZINC000039348288 369150663 /nfs/dbraw/zinc/15/06/63/369150663.db2.gz WSGXRIJLOZCKTF-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN CC[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(C)C ZINC000042590896 369227385 /nfs/dbraw/zinc/22/73/85/369227385.db2.gz NLKGWOSGXKPYHZ-QMMMGPOBSA-N 0 0 268.342 3.151 10 5 CGBERN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2c1cccc2O ZINC000050015579 369426335 /nfs/dbraw/zinc/42/63/35/369426335.db2.gz LUJNLYZKPVOBCX-AWEZNQCLSA-N 0 0 284.315 3.078 10 5 CGBERN C[C@H]1C[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000052290390 369467670 /nfs/dbraw/zinc/46/76/70/369467670.db2.gz DNVAPGBRLHKRNC-RCOVLWMOSA-N 0 0 271.114 3.178 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000074350791 369876270 /nfs/dbraw/zinc/87/62/70/369876270.db2.gz VJYNQUCCKOXJQO-MRVPVSSYSA-N 0 0 294.332 3.357 10 5 CGBERN CCCSCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377979 370325126 /nfs/dbraw/zinc/32/51/26/370325126.db2.gz LKJLGEBYOVCXRC-JTQLQIEISA-N 0 0 294.376 3.016 10 5 CGBERN C[C@H](Cc1cccc(F)c1)Nc1ncccc1[N+](=O)[O-] ZINC000301267360 373721390 /nfs/dbraw/zinc/72/13/90/373721390.db2.gz FXWYIUMZAHUPGT-SNVBAGLBSA-N 0 0 275.283 3.172 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)C(C)(C)C ZINC000302840071 373980962 /nfs/dbraw/zinc/98/09/62/373980962.db2.gz ZXHHJNIFVNSSTM-NSHDSACASA-N 0 0 286.759 3.376 10 5 CGBERN Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])s2)o1 ZINC000189683489 375435203 /nfs/dbraw/zinc/43/52/03/375435203.db2.gz SMLDFBITSBQZSS-SSDOTTSWSA-N 0 0 253.283 3.126 10 5 CGBERN Cc1cnc([C@@H](C)Nc2c(F)cccc2[N+](=O)[O-])o1 ZINC000336809458 375961310 /nfs/dbraw/zinc/96/13/10/375961310.db2.gz FMFBLXPXTLRMBT-MRVPVSSYSA-N 0 0 265.244 3.203 10 5 CGBERN CC(=S)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000211770871 376134108 /nfs/dbraw/zinc/13/41/08/376134108.db2.gz AVGSHSNSGIZRHA-UHFFFAOYSA-N 0 0 289.154 3.425 10 5 CGBERN CC(C)(C)OC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229561446 376465895 /nfs/dbraw/zinc/46/58/95/376465895.db2.gz VYGJKKFOLSFPDF-UHFFFAOYSA-N 0 0 256.233 3.081 10 5 CGBERN CCC[C@H]1C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000231692148 376568363 /nfs/dbraw/zinc/56/83/63/376568363.db2.gz MZRHIPHVMDIWOO-KWQFWETISA-N 0 0 282.727 3.167 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2COc3ccccc32)c1 ZINC000094659703 249042375 /nfs/dbraw/zinc/04/23/75/249042375.db2.gz BWUKNNRQNZRWOA-ZDUSSCGKSA-N 0 0 270.288 3.449 10 5 CGBERN Cc1cc(N2CC[C@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000250884429 377569523 /nfs/dbraw/zinc/56/95/23/377569523.db2.gz YVPOYWVXELLKRW-XJKSGUPXSA-N 0 0 290.363 3.035 10 5 CGBERN CCc1cc(CC)c([N+](=O)[O-])cc1Br ZINC000575681414 377956218 /nfs/dbraw/zinc/95/62/18/377956218.db2.gz YSVRREFSFPWOKS-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN Cc1cc(OC(F)F)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575664831 377940681 /nfs/dbraw/zinc/94/06/81/377940681.db2.gz ABSABPSWLGXYHO-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(OC(F)F)cc1C(F)(F)F ZINC000575667896 377945383 /nfs/dbraw/zinc/94/53/83/377945383.db2.gz SFSZCKSIVRIHLH-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=Cc1c(OC(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575668592 377946314 /nfs/dbraw/zinc/94/63/14/377946314.db2.gz VVWIILVRHBIYLQ-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CC(=O)c1c(Cl)ccc(Br)c1[N+](=O)[O-] ZINC000575676615 377951978 /nfs/dbraw/zinc/95/19/78/377951978.db2.gz CHMSFYAQVGVYGC-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN COc1cc(Cl)cc(Br)c1[N+](=O)[O-] ZINC000575677267 377952084 /nfs/dbraw/zinc/95/20/84/377952084.db2.gz IOSDCCLWZYXTPQ-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000575677758 377952547 /nfs/dbraw/zinc/95/25/47/377952547.db2.gz OTNMOBDADRIOSR-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN O=Cc1ccc(C(F)F)c([N+](=O)[O-])c1Br ZINC000575685427 377960058 /nfs/dbraw/zinc/96/00/58/377960058.db2.gz LCSVVCULLOEWBJ-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCOc1cc(OC)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575700000 377972584 /nfs/dbraw/zinc/97/25/84/377972584.db2.gz ZFWWGINSMGMONG-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CN1c2ccccc2[C@H](O)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000255967845 134451201 /nfs/dbraw/zinc/45/12/01/134451201.db2.gz CTEPRUOQZLALAZ-JKSUJKDBSA-N 0 0 284.315 3.209 10 5 CGBERN CNc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000390824128 397692660 /nfs/dbraw/zinc/69/26/60/397692660.db2.gz JDMAROMEJZCELO-UHFFFAOYSA-N 0 0 258.277 3.216 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078671160 165137266 /nfs/dbraw/zinc/13/72/66/165137266.db2.gz LMJKWQVQXDWIMN-QWRGUYRKSA-N 0 0 281.381 3.384 10 5 CGBERN CCC1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183563104 165714056 /nfs/dbraw/zinc/71/40/56/165714056.db2.gz CWKSBPZSVWCZFV-UHFFFAOYSA-N 0 0 292.339 3.080 10 5 CGBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000008489877 170337580 /nfs/dbraw/zinc/33/75/80/170337580.db2.gz UUJPYNYLJLAVMC-LLVKDONJSA-N 0 0 271.272 3.245 10 5 CGBERN Cc1ccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000034508685 171842858 /nfs/dbraw/zinc/84/28/58/171842858.db2.gz IOTIYIRTJCEWKZ-UHFFFAOYSA-N 0 0 261.302 3.390 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1Oc1nsnc1Cl ZINC000038082472 174091314 /nfs/dbraw/zinc/09/13/14/174091314.db2.gz FYSWGFIRKFMQEH-UHFFFAOYSA-N 0 0 271.685 3.200 10 5 CGBERN O=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000038082092 174091335 /nfs/dbraw/zinc/09/13/35/174091335.db2.gz MIYKIXNPRZSFDE-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cccc(Cl)c1 ZINC000040571319 174338463 /nfs/dbraw/zinc/33/84/63/174338463.db2.gz WRAORQUAUSSHMN-UHFFFAOYSA-N 0 0 285.090 3.435 10 5 CGBERN CCCNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040596851 174349153 /nfs/dbraw/zinc/34/91/53/174349153.db2.gz QMQJDCXDVKSRNP-UHFFFAOYSA-N 0 0 291.286 3.089 10 5 CGBERN CC(C)CCNc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040660289 174365881 /nfs/dbraw/zinc/36/58/81/174365881.db2.gz GRNFKBXDEAHWTM-UHFFFAOYSA-N 0 0 293.371 3.197 10 5 CGBERN CCN(c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000042376787 174703406 /nfs/dbraw/zinc/70/34/06/174703406.db2.gz JMWTWRJKADEBMT-UHFFFAOYSA-N 0 0 285.141 3.346 10 5 CGBERN C[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1nccs1 ZINC000228723535 416522652 /nfs/dbraw/zinc/52/26/52/416522652.db2.gz IOBYNARJEKGIAK-MRVPVSSYSA-N 0 0 281.312 3.406 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000302823282 274723069 /nfs/dbraw/zinc/72/30/69/274723069.db2.gz LDYCOEGUAIQEGO-QWRGUYRKSA-N 0 0 297.786 3.085 10 5 CGBERN CCOC(=O)c1cc2cc([N+](=O)[O-])c(C)cc2s1 ZINC000034399020 326901514 /nfs/dbraw/zinc/90/15/14/326901514.db2.gz KXVNMLGGASMUOZ-UHFFFAOYSA-N 0 0 265.290 3.295 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)[C@@H](C)C(C)C ZINC000061569778 518290754 /nfs/dbraw/zinc/29/07/54/518290754.db2.gz CCNDXQKVIAOXGI-JTQLQIEISA-N 0 0 264.325 3.278 10 5 CGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000049252361 522789049 /nfs/dbraw/zinc/78/90/49/522789049.db2.gz CPBZDXKHNRCABS-GFCCVEGCSA-N 0 0 284.743 3.413 10 5 CGBERN C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000150077413 622444845 /nfs/dbraw/zinc/44/48/45/622444845.db2.gz UIILRHYIQKRQRW-GMSGAONNSA-N 0 0 272.251 3.122 10 5 CGBERN CCCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000103675852 630395434 /nfs/dbraw/zinc/39/54/34/630395434.db2.gz YYLWQLDSRODEIE-RYUDHWBXSA-N 0 0 295.335 3.404 10 5 CGBERN C[C@H](O)c1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000192993230 640424352 /nfs/dbraw/zinc/42/43/52/640424352.db2.gz XCOWEFSFNSPIDE-NSHDSACASA-N 0 0 297.314 3.046 10 5 CGBERN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000037379081 344949888 /nfs/dbraw/zinc/94/98/88/344949888.db2.gz FFTAJQXHUVKMBA-QMTHXVAHSA-N 0 0 287.319 3.122 10 5 CGBERN Cc1cnc(CCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000080649649 345681523 /nfs/dbraw/zinc/68/15/23/345681523.db2.gz ZQEAKJXJKZWYDK-UHFFFAOYSA-N 0 0 277.349 3.323 10 5 CGBERN O=[N+]([O-])c1ccc(CC2([N+](=O)[O-])CCCCC2)cc1 ZINC000117226186 345982910 /nfs/dbraw/zinc/98/29/10/345982910.db2.gz NLVZXPRUQUUTAR-UHFFFAOYSA-N 0 0 264.281 3.117 10 5 CGBERN Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(Br)o1 ZINC000165394784 346184261 /nfs/dbraw/zinc/18/42/61/346184261.db2.gz YRPNZZBJTOBXDD-UHFFFAOYSA-N 0 0 283.081 3.321 10 5 CGBERN C[Si]1(C)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000223895511 346301586 /nfs/dbraw/zinc/30/15/86/346301586.db2.gz KWJSOMQAMNDTIB-UHFFFAOYSA-N 0 0 286.354 3.401 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(Cl)c1Br ZINC000306823397 346457878 /nfs/dbraw/zinc/45/78/78/346457878.db2.gz PUIRKHPYRSCPPX-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN O=Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000514279375 346637978 /nfs/dbraw/zinc/63/79/78/346637978.db2.gz FTQNADHNEUIRPX-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN CC[C@H](CCC(=O)c1c[nH]c2ccccc12)[N+](=O)[O-] ZINC000584617224 346694291 /nfs/dbraw/zinc/69/42/91/346694291.db2.gz DQQAIXXCYRRWIV-SNVBAGLBSA-N 0 0 260.293 3.186 10 5 CGBERN O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])c2ccccc12 ZINC000584620502 346695742 /nfs/dbraw/zinc/69/57/42/346695742.db2.gz NCOYHYLHNVKIEA-UHFFFAOYSA-N 0 0 293.282 3.395 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CCC[C@@H](O)C1 ZINC000596082123 347380255 /nfs/dbraw/zinc/38/02/55/347380255.db2.gz GQGONJONPIMFSC-VHSXEESVSA-N 0 0 286.278 3.248 10 5 CGBERN Cc1ccnc(NCCCCC(F)(F)F)c1[N+](=O)[O-] ZINC000128952457 187401512 /nfs/dbraw/zinc/40/15/12/187401512.db2.gz BYFSAMCYCVPRKE-UHFFFAOYSA-N 0 0 277.246 3.443 10 5 CGBERN Cc1cc(N[C@H](C)[C@@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000290886435 197849735 /nfs/dbraw/zinc/84/97/35/197849735.db2.gz CIXJFAXCPBXTBS-RNCFNFMXSA-N 0 0 268.288 3.022 10 5 CGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000117578406 186752916 /nfs/dbraw/zinc/75/29/16/186752916.db2.gz HNGVQAIRPBHNJE-MEBBXXQBSA-N 0 0 298.298 3.098 10 5 CGBERN Cc1nc(CNc2ccc(F)cc2[N+](=O)[O-])c(C)s1 ZINC000301835977 201225003 /nfs/dbraw/zinc/22/50/03/201225003.db2.gz LODVTPZOZHFXCI-UHFFFAOYSA-N 0 0 281.312 3.419 10 5 CGBERN C/C=C/CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218857363 376191724 /nfs/dbraw/zinc/19/17/24/376191724.db2.gz DYNBQJVXWCYAON-ONEGZZNKSA-N 0 0 254.261 3.121 10 5 CGBERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015797169 368702624 /nfs/dbraw/zinc/70/26/24/368702624.db2.gz ROKAEIIOTZBNQD-QBGAIBADSA-N 0 0 288.347 3.303 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000017963600 368736439 /nfs/dbraw/zinc/73/64/39/368736439.db2.gz OWAOQWUGRPXSJM-ZDUSSCGKSA-N 0 0 298.342 3.323 10 5 CGBERN COc1cc([N+](=O)[O-])c(Cl)cc1Nc1ccccn1 ZINC000033609428 368966609 /nfs/dbraw/zinc/96/66/09/368966609.db2.gz REVBFPFZYQRHLX-UHFFFAOYSA-N 0 0 279.683 3.395 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3CO)cc2c1 ZINC000040875294 369167623 /nfs/dbraw/zinc/16/76/23/369167623.db2.gz AEWWEYQTIRUIET-UHFFFAOYSA-N 0 0 268.272 3.235 10 5 CGBERN CO[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050374971 369436869 /nfs/dbraw/zinc/43/68/69/369436869.db2.gz GDMCATREAKPYHB-PWSUYJOCSA-N 0 0 270.716 3.228 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1CO ZINC000231675622 189813909 /nfs/dbraw/zinc/81/39/09/189813909.db2.gz IRLXZJLDTIFNRY-MWLCHTKSSA-N 0 0 284.743 3.211 10 5 CGBERN CCc1ccsc1CNc1ccc([N+](=O)[O-])cn1 ZINC000088290737 370032922 /nfs/dbraw/zinc/03/29/22/370032922.db2.gz JDJUBAKUYLHUFD-UHFFFAOYSA-N 0 0 263.322 3.226 10 5 CGBERN CC(C)(C)[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000290122480 371909082 /nfs/dbraw/zinc/90/90/82/371909082.db2.gz MJMATOHYVHZTDR-SNVBAGLBSA-N 0 0 273.716 3.034 10 5 CGBERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226818485 376375123 /nfs/dbraw/zinc/37/51/23/376375123.db2.gz WZVPINTVAFKNST-GZMMTYOYSA-N 0 0 282.727 3.167 10 5 CGBERN CC[C@H]1C[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000227014575 376377332 /nfs/dbraw/zinc/37/73/32/376377332.db2.gz ILLKNJUMJCBUPM-TVQRCGJNSA-N 0 0 257.293 3.353 10 5 CGBERN Cc1ccc(Oc2ccc(CCO)cc2)c([N+](=O)[O-])c1 ZINC000229328786 376462984 /nfs/dbraw/zinc/46/29/84/376462984.db2.gz ZBINNLPUHVWLDW-UHFFFAOYSA-N 0 0 273.288 3.230 10 5 CGBERN COc1ccc([N+](=O)[O-])c(N[C@H](C)c2ncc(C)o2)c1 ZINC000234952674 376626411 /nfs/dbraw/zinc/62/64/11/376626411.db2.gz NWTBRKPLMNZTMR-SECBINFHSA-N 0 0 277.280 3.073 10 5 CGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)C)c1 ZINC000248299295 377286498 /nfs/dbraw/zinc/28/64/98/377286498.db2.gz ZIWCAICRODEVHX-SECBINFHSA-N 0 0 282.365 3.091 10 5 CGBERN CC[C@@H](C)N(C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090686874 249029358 /nfs/dbraw/zinc/02/93/58/249029358.db2.gz ROHSFAHRAYMSBN-RISCZKNCSA-N 0 0 293.367 3.486 10 5 CGBERN CCOc1c(CC)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575655516 377932970 /nfs/dbraw/zinc/93/29/70/377932970.db2.gz LHKFMBZGVXJZBC-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(C(F)(F)F)cc1F ZINC000575661135 377937355 /nfs/dbraw/zinc/93/73/55/377937355.db2.gz JVNKUOAQNSDLRG-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1OC(F)F ZINC000575666452 377944469 /nfs/dbraw/zinc/94/44/69/377944469.db2.gz LBEYHBYLYBMBLV-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN COc1cc(C(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575668022 377945551 /nfs/dbraw/zinc/94/55/51/377945551.db2.gz SUXNVTRMQQTPSI-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=Cc1cc(C(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575672229 377948753 /nfs/dbraw/zinc/94/87/53/377948753.db2.gz ULPLPDAHAPXYNA-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN COc1cc(Cl)cc([N+](=O)[O-])c1Br ZINC000575677175 377952034 /nfs/dbraw/zinc/95/20/34/377952034.db2.gz HPVLJOPHYHRCND-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN C[N@+]1([O-])CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000575418528 377906255 /nfs/dbraw/zinc/90/62/55/377906255.db2.gz RNFDUEPBVUOHRQ-ROUUACIJSA-N 0 0 270.352 3.142 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl ZINC000575693611 377967995 /nfs/dbraw/zinc/96/79/95/377967995.db2.gz CHWZUKHCQUBNMZ-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(OC)c(C(F)(F)F)c1 ZINC000575698677 377971655 /nfs/dbraw/zinc/97/16/55/377971655.db2.gz DBSFDBXJSUTAGC-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1 ZINC000211508363 285141354 /nfs/dbraw/zinc/14/13/54/285141354.db2.gz WKWFNRMGDDBFBY-UHFFFAOYSA-N 0 0 274.667 3.187 10 5 CGBERN O=c1c2ccccc2oc(-c2ccccc2)c1[N+](=O)[O-] ZINC000013526389 285213333 /nfs/dbraw/zinc/21/33/33/285213333.db2.gz GUNMIGXOVQWXEQ-UHFFFAOYSA-N 0 0 267.240 3.368 10 5 CGBERN CC(C)(C)[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000283083275 195787865 /nfs/dbraw/zinc/78/78/65/195787865.db2.gz QBJBHSMZXFTPSC-NSHDSACASA-N 0 0 273.716 3.034 10 5 CGBERN Cc1cccc(CNCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000051575891 392071800 /nfs/dbraw/zinc/07/18/00/392071800.db2.gz PVAGKYNXRYMLKR-UHFFFAOYSA-N 0 0 291.738 3.241 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@]23CCOC3)c1 ZINC000375275643 392756808 /nfs/dbraw/zinc/75/68/08/392756808.db2.gz DXIIXODQIVIZGM-AWEZNQCLSA-N 0 0 296.754 3.003 10 5 CGBERN COC(C)(C)C[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000148997635 292067027 /nfs/dbraw/zinc/06/70/27/292067027.db2.gz SEADQBZZUKQNEU-SECBINFHSA-N 0 0 270.304 3.349 10 5 CGBERN Cc1cc(C(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000005725005 170133493 /nfs/dbraw/zinc/13/34/93/170133493.db2.gz GRBKCJSNBTUHOJ-UHFFFAOYSA-N 0 0 255.273 3.329 10 5 CGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000005869775 170148984 /nfs/dbraw/zinc/14/89/84/170148984.db2.gz UMFKSGMJHJZIHL-NSHDSACASA-N 0 0 286.287 3.001 10 5 CGBERN Cc1occc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006254738 170186002 /nfs/dbraw/zinc/18/60/02/170186002.db2.gz BLVUVZILCCMCEP-UHFFFAOYSA-N 0 0 280.667 3.402 10 5 CGBERN Cc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000006966980 170259652 /nfs/dbraw/zinc/25/96/52/170259652.db2.gz HIMVGLPMEYHBGP-UHFFFAOYSA-N 0 0 288.332 3.107 10 5 CGBERN O=[N+]([O-])c1cccc(CNCc2nc3ccccc3s2)c1 ZINC000020136365 171023578 /nfs/dbraw/zinc/02/35/78/171023578.db2.gz ADCITJBHRRVQEQ-UHFFFAOYSA-N 0 0 299.355 3.494 10 5 CGBERN C[C@H]1CCC[C@H](Oc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000020517222 171232849 /nfs/dbraw/zinc/23/28/49/171232849.db2.gz VFEXCEYDUISWEL-JQWIXIFHSA-N 0 0 263.293 3.365 10 5 CGBERN Cc1nc(CNc2cccc([N+](=O)[O-])c2C)cs1 ZINC000035224146 172068908 /nfs/dbraw/zinc/06/89/08/172068908.db2.gz VCEZCCTUKCXTCE-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN CCCc1ccc(C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000035368691 172160557 /nfs/dbraw/zinc/16/05/57/172160557.db2.gz OKXUQQZMVXKNCC-UHFFFAOYSA-N 0 0 259.261 3.371 10 5 CGBERN CC1CCC(N(C)C(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000037980314 173939375 /nfs/dbraw/zinc/93/93/75/173939375.db2.gz KMRFSTSOZXMRQZ-UHFFFAOYSA-N 0 0 294.326 3.385 10 5 CGBERN C[C@@H]1CCCC[C@H]1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000040176597 174201868 /nfs/dbraw/zinc/20/18/68/174201868.db2.gz RVNIPALPFJJKDC-ZWNOBZJWSA-N 0 0 263.293 3.365 10 5 CGBERN Cc1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571454 174338305 /nfs/dbraw/zinc/33/83/05/174338305.db2.gz WUSOGSJBKVBWHV-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(F)cc1F ZINC000040571526 174338555 /nfs/dbraw/zinc/33/85/55/174338555.db2.gz XENQCFPOIIWENB-UHFFFAOYSA-N 0 0 286.625 3.060 10 5 CGBERN CCCNc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040596953 174349167 /nfs/dbraw/zinc/34/91/67/174349167.db2.gz WHQHVUBMPBEMDJ-UHFFFAOYSA-N 0 0 291.286 3.089 10 5 CGBERN CCCNc1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040597095 174349353 /nfs/dbraw/zinc/34/93/53/174349353.db2.gz PJDKMYSCMJJNDE-UHFFFAOYSA-N 0 0 288.307 3.307 10 5 CGBERN CC(C)Oc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040650125 174364898 /nfs/dbraw/zinc/36/48/98/174364898.db2.gz WHJMDAOVZYPERL-UHFFFAOYSA-N 0 0 291.332 3.323 10 5 CGBERN CC(C)[C@@H](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000067795774 175791962 /nfs/dbraw/zinc/79/19/62/175791962.db2.gz HYHARDGKKSTEPA-NSHDSACASA-N 0 0 276.336 3.166 10 5 CGBERN CCOC[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000228723707 416523070 /nfs/dbraw/zinc/52/30/70/416523070.db2.gz YEBDTECCKSPGAK-GFCCVEGCSA-N 0 0 270.304 3.207 10 5 CGBERN Cc1c(-c2ccc(F)c(F)c2F)cncc1[N+](=O)[O-] ZINC000725271303 544115333 /nfs/dbraw/zinc/11/53/33/544115333.db2.gz BOHNCTCEDLSESV-UHFFFAOYSA-N 0 0 268.194 3.383 10 5 CGBERN Cc1ccccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377457 270045614 /nfs/dbraw/zinc/04/56/14/270045614.db2.gz QAULZZLKUHBTRH-LBPRGKRZSA-N 0 0 296.326 3.495 10 5 CGBERN COC(=O)c1cc([N+](=O)[O-])cc2cc(C(C)(C)C)[nH]c21 ZINC000071625043 277424454 /nfs/dbraw/zinc/42/44/54/277424454.db2.gz CAMMTUHPGSXTMO-UHFFFAOYSA-N 0 0 276.292 3.160 10 5 CGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000408361951 280380919 /nfs/dbraw/zinc/38/09/19/280380919.db2.gz KQCWZNVQEKPMPV-LDYMZIIASA-N 0 0 267.716 3.022 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301474604 280662382 /nfs/dbraw/zinc/66/23/82/280662382.db2.gz NCHDFLQFRUXDLJ-BETUJISGSA-N 0 0 258.321 3.306 10 5 CGBERN C[C@@H]1[C@H](C)SCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000134772162 289028056 /nfs/dbraw/zinc/02/80/56/289028056.db2.gz DALUSQPRUAWLOC-BDAKNGLRSA-N 0 0 270.329 3.064 10 5 CGBERN C[C@@H]1CCCN(c2ccc(C=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000050565291 524246357 /nfs/dbraw/zinc/24/63/57/524246357.db2.gz LCTOHBTYQBQMKR-GHMZBOCLSA-N 0 0 262.309 3.032 10 5 CGBERN Cc1cc(CSCc2cccc([N+](=O)[O-])c2)no1 ZINC000101584275 524816469 /nfs/dbraw/zinc/81/64/69/524816469.db2.gz FDORSOZRRCOUJL-UHFFFAOYSA-N 0 0 264.306 3.325 10 5 CGBERN Cc1c(C[C@@H](C(C)C)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000061688692 525737061 /nfs/dbraw/zinc/73/70/61/525737061.db2.gz CYVADNROXWOEOS-YPMHNXCESA-N 0 0 251.326 3.099 10 5 CGBERN Cc1c(F)cccc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455760 525813178 /nfs/dbraw/zinc/81/31/78/525813178.db2.gz BLHTZJSALOHETQ-UHFFFAOYSA-N 0 0 282.662 3.229 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CCCC[C@H]21 ZINC000377351289 527217302 /nfs/dbraw/zinc/21/73/02/527217302.db2.gz XNZLPVZCNNIDTD-BXUZGUMPSA-N 0 0 274.320 3.176 10 5 CGBERN Cc1sc(C(=O)Nc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000103745493 630881259 /nfs/dbraw/zinc/88/12/59/630881259.db2.gz QINOZSGCNSMRLR-UHFFFAOYSA-N 0 0 297.723 3.265 10 5 CGBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000129611030 636321598 /nfs/dbraw/zinc/32/15/98/636321598.db2.gz VZGUPXZGZWSEEG-SNVBAGLBSA-N 0 0 284.743 3.413 10 5 CGBERN C/C=C(/C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000588390423 799685621 /nfs/dbraw/zinc/68/56/21/799685621.db2.gz CAJQLMGAUISVMB-CLTKARDFSA-N 0 0 299.124 3.262 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C ZINC000588437396 799693440 /nfs/dbraw/zinc/69/34/40/799693440.db2.gz PEXMYQAMGNVWET-LUAWRHEFSA-N 0 0 276.336 3.160 10 5 CGBERN COc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000591994484 346954612 /nfs/dbraw/zinc/95/46/12/346954612.db2.gz XGQSCWXAYGUQDZ-IQJOONFLSA-N 0 0 280.299 3.343 10 5 CGBERN O=[N+]([O-])C1(CCCCl)C2CC3CC(C2)CC1C3 ZINC000039122800 344958077 /nfs/dbraw/zinc/95/80/77/344958077.db2.gz SATYRJUDCVAEIN-UHFFFAOYSA-N 0 0 257.761 3.477 10 5 CGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc(Cl)nc1 ZINC000048545461 345067446 /nfs/dbraw/zinc/06/74/46/345067446.db2.gz QKBSMCMQBIBMBB-UHFFFAOYSA-N 0 0 291.694 3.204 10 5 CGBERN C=Cc1cc([N+](=O)[O-])ccc1OCc1ccccn1 ZINC000116091359 345975311 /nfs/dbraw/zinc/97/53/11/345975311.db2.gz XDVGRZHAYPDSTD-UHFFFAOYSA-N 0 0 256.261 3.212 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1-n1cnc(C(F)(F)F)c1 ZINC000145653223 346120693 /nfs/dbraw/zinc/12/06/93/346120693.db2.gz SXXLBZROSDOPFK-UHFFFAOYSA-N 0 0 271.198 3.108 10 5 CGBERN CCc1ccc([C@@H](O)c2ccccc2[N+](=O)[O-])cc1 ZINC000202137803 346280513 /nfs/dbraw/zinc/28/05/13/346280513.db2.gz NHLLTFBTSYXSJX-OAHLLOKOSA-N 0 0 257.289 3.239 10 5 CGBERN O=[N+]([O-])c1cccc(C(F)F)c1I ZINC000238702723 346350316 /nfs/dbraw/zinc/35/03/16/346350316.db2.gz AUBAAVIGVLUJIT-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN O=[N+]([O-])c1ccc(Br)c(OC(F)F)c1F ZINC000396040140 346577965 /nfs/dbraw/zinc/57/79/65/346577965.db2.gz LDNAZPCGFNNQRW-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN Cc1cc(Br)ccc1OCC(C)(C)[N+](=O)[O-] ZINC000584646645 346703858 /nfs/dbraw/zinc/70/38/58/346703858.db2.gz TXGWVTASRILCPD-UHFFFAOYSA-N 0 0 288.141 3.192 10 5 CGBERN O=C1c2ccc([N+](=O)[O-])cc2CSc2ccccc21 ZINC000584602130 346689633 /nfs/dbraw/zinc/68/96/33/346689633.db2.gz ISAWXTJPOLPXON-UHFFFAOYSA-N 0 0 271.297 3.432 10 5 CGBERN CN(c1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Cl)ncn1 ZINC000584637257 346700776 /nfs/dbraw/zinc/70/07/76/346700776.db2.gz NARSBAAKICOAPA-UHFFFAOYSA-N 0 0 299.117 3.460 10 5 CGBERN O=[N+]([O-])c1cc(Br)ccc1N1C[C@@H]2CCC[C@H]21 ZINC000609964238 348359347 /nfs/dbraw/zinc/35/93/47/348359347.db2.gz NBPDRDYCQZCRDZ-WCBMZHEXSA-N 0 0 297.152 3.346 10 5 CGBERN CCC1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000226771098 535324103 /nfs/dbraw/zinc/32/41/03/535324103.db2.gz RUBBGRGSCPZQBP-UHFFFAOYSA-N 0 0 255.343 3.432 10 5 CGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)C2CCCC2)c(Cl)c1 ZINC000301281596 200962415 /nfs/dbraw/zinc/96/24/15/200962415.db2.gz KPLSISZWEVOCOQ-CYBMUJFWSA-N 0 0 284.743 3.211 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[C@H](C)C2)c1 ZINC000302532283 201474579 /nfs/dbraw/zinc/47/45/79/201474579.db2.gz LOCRICQETOZXRA-DTWKUNHWSA-N 0 0 268.288 3.343 10 5 CGBERN CSc1ccc(C(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000017054451 368727604 /nfs/dbraw/zinc/72/76/04/368727604.db2.gz BIVBONKJUDOKFI-SECBINFHSA-N 0 0 282.365 3.091 10 5 CGBERN Cc1csc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000034753449 368978560 /nfs/dbraw/zinc/97/85/60/368978560.db2.gz BKVFMGQGPRKADQ-UHFFFAOYSA-N 0 0 259.290 3.279 10 5 CGBERN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000042590578 369227226 /nfs/dbraw/zinc/22/72/26/369227226.db2.gz ZGDSCAMRXXILLL-LURJTMIESA-N 0 0 284.728 3.273 10 5 CGBERN COc1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000052119710 369464807 /nfs/dbraw/zinc/46/48/07/369464807.db2.gz NLGXYFBIILGLNP-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN C/C=C/CCNc1ncc([N+](=O)[O-])cc1Br ZINC000129494682 370990268 /nfs/dbraw/zinc/99/02/68/370990268.db2.gz YKZSJBAPOXMVIL-NSCUHMNNSA-N 0 0 286.129 3.130 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000231663717 189814093 /nfs/dbraw/zinc/81/40/93/189814093.db2.gz GHZQAEVXVPFKKV-OIBJUYFYSA-N 0 0 255.705 3.244 10 5 CGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC1CCCC1 ZINC000103377474 370325552 /nfs/dbraw/zinc/32/55/52/370325552.db2.gz MCJVAMOVXPHPED-LLVKDONJSA-N 0 0 288.347 3.453 10 5 CGBERN CCC[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302077438 373817954 /nfs/dbraw/zinc/81/79/54/373817954.db2.gz YVDOUPZZRVLATP-GFCCVEGCSA-N 0 0 278.352 3.104 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000227760182 376409726 /nfs/dbraw/zinc/40/97/26/376409726.db2.gz QTVJUKISHGTHMW-MNOVXSKESA-N 0 0 268.288 3.103 10 5 CGBERN O=C(c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000039205963 296260212 /nfs/dbraw/zinc/26/02/12/296260212.db2.gz ZXNFXLWABOISKA-UHFFFAOYSA-N 0 0 261.664 3.479 10 5 CGBERN O=[N+]([O-])c1cccc(C(F)F)c1OC(F)(F)F ZINC000575345673 377885416 /nfs/dbraw/zinc/88/54/16/377885416.db2.gz MPCCLTXDNFVABC-UHFFFAOYSA-N 0 0 257.114 3.431 10 5 CGBERN O=Cc1cc(C(F)(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575381125 377892610 /nfs/dbraw/zinc/89/26/10/377892610.db2.gz XBXRWLZZKDRRST-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN CCOc1c(OC(F)F)ccc(CC)c1[N+](=O)[O-] ZINC000575657252 377933608 /nfs/dbraw/zinc/93/36/08/377933608.db2.gz ZKUSETDCOLFMQE-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1c(F)cc(OC(F)F)cc1C(F)(F)F ZINC000575661953 377938370 /nfs/dbraw/zinc/93/83/70/377938370.db2.gz WWQIJJXLPQLAEA-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1OC(F)F ZINC000575664858 377940587 /nfs/dbraw/zinc/94/05/87/377940587.db2.gz ACCIXNPXCSPIPF-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1c(OC(F)F)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575665272 377942208 /nfs/dbraw/zinc/94/22/08/377942208.db2.gz CELUITIPFIKCJC-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CCOc1c(C(C)=O)cc([N+](=O)[O-])cc1C(F)F ZINC000575668477 377946249 /nfs/dbraw/zinc/94/62/49/377946249.db2.gz YIMDAGOFGCXGBZ-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=Cc1cc(OC(F)(F)F)cc(C(F)F)c1[N+](=O)[O-] ZINC000575671454 377947477 /nfs/dbraw/zinc/94/74/77/377947477.db2.gz KRGYQQAWVKANPB-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN COc1cc(C(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575672223 377948641 /nfs/dbraw/zinc/94/86/41/377948641.db2.gz UGCVNQQHKZGQGQ-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN COc1cc([N+](=O)[O-])c(C(F)F)cc1OC(F)(F)F ZINC000575672254 377948676 /nfs/dbraw/zinc/94/86/76/377948676.db2.gz VUBSZZHXNWKGKI-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(C)c1C(F)(F)F ZINC000575675887 377950589 /nfs/dbraw/zinc/95/05/89/377950589.db2.gz ZGYROSDCVSYYBH-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CCOC(=O)Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000575675699 377950842 /nfs/dbraw/zinc/95/08/42/377950842.db2.gz XBZAKEMCWNJJCJ-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN COc1cc([N+](=O)[O-])c(Br)cc1Cl ZINC000575677790 377952748 /nfs/dbraw/zinc/95/27/48/377952748.db2.gz PMXVYWRXQRRIEC-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000575396755 377903748 /nfs/dbraw/zinc/90/37/48/377903748.db2.gz FBRVFOREHUDNJK-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000575396751 377903856 /nfs/dbraw/zinc/90/38/56/377903856.db2.gz AWRUXUILIFYYDL-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN COC(=O)CCCCCCOc1cccc([N+](=O)[O-])c1 ZINC000575448341 377913554 /nfs/dbraw/zinc/91/35/54/377913554.db2.gz WFURLQSSEDRUMQ-UHFFFAOYSA-N 0 0 281.308 3.097 10 5 CGBERN CCOc1ccc(C(F)(F)F)c([N+](=O)[O-])c1C(C)=O ZINC000575698766 377971254 /nfs/dbraw/zinc/97/12/54/377971254.db2.gz JGZGVOOIRRMSOD-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN O=[N+]([O-])c1ccc([C@H]2O[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000039190627 285139480 /nfs/dbraw/zinc/13/94/80/285139480.db2.gz HKSKCULSKYLVQZ-ZIAGYGMSSA-N 0 0 286.243 3.316 10 5 CGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C[C@H]1C=CCC1 ZINC000103376980 165420459 /nfs/dbraw/zinc/42/04/59/165420459.db2.gz CWKUJOSBQMOBQH-NEPJUHHUSA-N 0 0 286.331 3.229 10 5 CGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C[C@@H]1C=CCC1 ZINC000103376988 165421214 /nfs/dbraw/zinc/42/12/14/165421214.db2.gz CWKUJOSBQMOBQH-NWDGAFQWSA-N 0 0 286.331 3.229 10 5 CGBERN CCCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000005456613 170100825 /nfs/dbraw/zinc/10/08/25/170100825.db2.gz OJWHTQLOIPQWKN-UHFFFAOYSA-N 0 0 291.332 3.457 10 5 CGBERN Cc1cccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000006968649 170259555 /nfs/dbraw/zinc/25/95/55/170259555.db2.gz ZEFHLAFCFUARBB-UHFFFAOYSA-N 0 0 288.332 3.107 10 5 CGBERN CC(C)[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020298531 171138343 /nfs/dbraw/zinc/13/83/43/171138343.db2.gz WGKJBVQRPPTQLK-QMMMGPOBSA-N 0 0 270.716 3.023 10 5 CGBERN C[C@H]1CCCC[C@H]1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020444929 171206124 /nfs/dbraw/zinc/20/61/24/171206124.db2.gz DNCSAGGNYZHXIQ-GXFFZTMASA-N 0 0 263.293 3.365 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NCCc1ccccc1 ZINC000035224075 172068822 /nfs/dbraw/zinc/06/88/22/172068822.db2.gz ORJSYMQIVNDCDI-UHFFFAOYSA-N 0 0 272.304 3.258 10 5 CGBERN O=Cc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080241 174089760 /nfs/dbraw/zinc/08/97/60/174089760.db2.gz ZFUXRJBBHDDZPC-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN CC(=O)CCCCOc1cccc([N+](=O)[O-])c1C ZINC000038081635 174090381 /nfs/dbraw/zinc/09/03/81/174090381.db2.gz SMGRAOLTEIGAHN-UHFFFAOYSA-N 0 0 251.282 3.041 10 5 CGBERN O=[N+]([O-])c1c(Cl)ccnc1NCc1ccccc1 ZINC000039956549 174179132 /nfs/dbraw/zinc/17/91/32/174179132.db2.gz IEUZMARHHBKRNE-UHFFFAOYSA-N 0 0 263.684 3.255 10 5 CGBERN C[C@H]1CCCC[C@H]1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000040176598 174201618 /nfs/dbraw/zinc/20/16/18/174201618.db2.gz RVNIPALPFJJKDC-GXFFZTMASA-N 0 0 263.293 3.365 10 5 CGBERN CNc1ncnc(Nc2cc(Cl)ccc2C)c1[N+](=O)[O-] ZINC000040592443 174347398 /nfs/dbraw/zinc/34/73/98/174347398.db2.gz WPFKLFHNRLEPRQ-UHFFFAOYSA-N 0 0 293.714 3.132 10 5 CGBERN Cc1cccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])c1 ZINC000040609078 174353634 /nfs/dbraw/zinc/35/36/34/174353634.db2.gz KYGWXOPUPWATMW-UHFFFAOYSA-N 0 0 299.334 3.037 10 5 CGBERN CCCCN(C)c1ncnc(NCCC(C)C)c1[N+](=O)[O-] ZINC000040612101 174353696 /nfs/dbraw/zinc/35/36/96/174353696.db2.gz OMYZIHQRLICWQM-UHFFFAOYSA-N 0 0 295.387 3.079 10 5 CGBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1NC1CCCC1 ZINC000040661122 174366034 /nfs/dbraw/zinc/36/60/34/174366034.db2.gz ADZYYHYSZNKCNS-UHFFFAOYSA-N 0 0 291.355 3.094 10 5 CGBERN C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC000052119527 175532775 /nfs/dbraw/zinc/53/27/75/175532775.db2.gz HIPXZYXFJVNIAS-VIFPVBQESA-N 0 0 261.256 3.302 10 5 CGBERN CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000227650245 270087208 /nfs/dbraw/zinc/08/72/08/270087208.db2.gz QJVQEGQXKXHILP-JTQLQIEISA-N 0 0 257.721 3.490 10 5 CGBERN Cc1nc(N2CCCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000408443793 279090077 /nfs/dbraw/zinc/09/00/77/279090077.db2.gz PLCUQUWNIACMHG-UHFFFAOYSA-N 0 0 263.341 3.315 10 5 CGBERN Cc1nc(N[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000268435787 281980489 /nfs/dbraw/zinc/98/04/89/281980489.db2.gz BXZLYLYIGVUKIU-ZDUSSCGKSA-N 0 0 269.304 3.398 10 5 CGBERN CCC1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000049121334 519856107 /nfs/dbraw/zinc/85/61/07/519856107.db2.gz PDGDHTJAIMRPKC-UHFFFAOYSA-N 0 0 294.326 3.433 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(NCC2CCOCC2)c1 ZINC000052177617 527355126 /nfs/dbraw/zinc/35/51/26/527355126.db2.gz XDRTXKZWYAXTAV-UHFFFAOYSA-N 0 0 270.716 3.087 10 5 CGBERN CCC(CC)(CC)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161500234 528635621 /nfs/dbraw/zinc/63/56/21/528635621.db2.gz OAUIOTOJVMADCS-UHFFFAOYSA-N 0 0 293.367 3.335 10 5 CGBERN CCc1ccc(OC(=O)[C@@H]2C[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000176143882 618370148 /nfs/dbraw/zinc/37/01/48/618370148.db2.gz ZJMNFABEYXGAII-VXGBXAGGSA-N 0 0 275.304 3.109 10 5 CGBERN C[C@@H]1C[C@@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730594 625705610 /nfs/dbraw/zinc/70/56/10/625705610.db2.gz ZRELWLOUCFRMQR-SVRRBLITSA-N 0 0 271.114 3.178 10 5 CGBERN COc1ccc(OC(=O)C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000101808305 634272535 /nfs/dbraw/zinc/27/25/35/634272535.db2.gz NLOSMVYVPZJMAK-UHFFFAOYSA-N 0 0 293.319 3.479 10 5 CGBERN C[C@@H](O)c1nc2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000192996931 640424416 /nfs/dbraw/zinc/42/44/16/640424416.db2.gz HNFCRHPPBXRIFD-LLVKDONJSA-N 0 0 297.314 3.046 10 5 CGBERN C/C=C(\CC)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000588570198 799714482 /nfs/dbraw/zinc/71/44/82/799714482.db2.gz ZVGVMKPPYDSYNI-QDEBKDIKSA-N 0 0 263.293 3.037 10 5 CGBERN O=C1CCc2cc(-c3ccccc3[N+](=O)[O-])ccc21 ZINC000034511593 344940373 /nfs/dbraw/zinc/94/03/73/344940373.db2.gz BEVNGLGVUFUUNF-UHFFFAOYSA-N 0 0 253.257 3.391 10 5 CGBERN O=[N+]([O-])c1cc(F)c(OCc2ccccc2)cc1F ZINC000088260405 345758196 /nfs/dbraw/zinc/75/81/96/345758196.db2.gz NPROYARGKMPEPK-UHFFFAOYSA-N 0 0 265.215 3.452 10 5 CGBERN CC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000083927655 345728164 /nfs/dbraw/zinc/72/81/64/345728164.db2.gz BLRILOKUNNOHDU-LBPRGKRZSA-N 0 0 274.324 3.385 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000163437439 232257879 /nfs/dbraw/zinc/25/78/79/232257879.db2.gz GTYXGUKXBFTMHD-NWDGAFQWSA-N 0 0 290.363 3.411 10 5 CGBERN COc1ccc(Cl)c2ncc([N+](=O)[O-])c(Cl)c12 ZINC000098061901 345910265 /nfs/dbraw/zinc/91/02/65/345910265.db2.gz NYJAIFUMKJETOY-UHFFFAOYSA-N 0 0 273.075 3.458 10 5 CGBERN Cc1c(F)c(Br)c(F)c(F)c1[N+](=O)[O-] ZINC000221254855 346297236 /nfs/dbraw/zinc/29/72/36/346297236.db2.gz JFKBISOMEDCYLQ-UHFFFAOYSA-N 0 0 270.004 3.083 10 5 CGBERN CC(=O)c1ccccc1NCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000098181035 185699328 /nfs/dbraw/zinc/69/93/28/185699328.db2.gz NWEGTJCFWRQXMG-UHFFFAOYSA-N 0 0 298.298 3.092 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(Br)c1Cl ZINC000306245567 346452222 /nfs/dbraw/zinc/45/22/22/346452222.db2.gz QWYYHPXBAHLFAN-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(C(F)F)c1Br ZINC000306749539 346457112 /nfs/dbraw/zinc/45/71/12/346457112.db2.gz LSSBLYLDXUWYRC-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN Cc1cc(OC(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000309335773 346468974 /nfs/dbraw/zinc/46/89/74/346468974.db2.gz ZXETUTIDPNYGKY-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN CC(C)(C)[C@H](O)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000324334759 346491096 /nfs/dbraw/zinc/49/10/96/346491096.db2.gz LBPDADBFZALZIT-LLVKDONJSA-N 0 0 288.294 3.351 10 5 CGBERN O=[N+]([O-])c1cccc(C(F)(F)F)c1OC(F)F ZINC000514257274 346635797 /nfs/dbraw/zinc/63/57/97/346635797.db2.gz HSGMCRARKUVRJV-UHFFFAOYSA-N 0 0 257.114 3.215 10 5 CGBERN CN(C)C(=O)c1c2ccccc2nc2ccccc21 ZINC000584640832 346702759 /nfs/dbraw/zinc/70/27/59/346702759.db2.gz YKVNQNULBDZIFF-UHFFFAOYSA-N 0 0 250.301 3.090 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ccc3c(nc4cc[nH]cc3-4)n2)cn1 ZINC000584590549 346685843 /nfs/dbraw/zinc/68/58/43/346685843.db2.gz FRCQINQYHQKRNK-UHFFFAOYSA-N 0 0 291.270 3.081 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1-c1cc(F)ccc1[N+](=O)[O-] ZINC000584622697 346696527 /nfs/dbraw/zinc/69/65/27/346696527.db2.gz WCKYPJTWMARYIT-UHFFFAOYSA-N 0 0 280.186 3.448 10 5 CGBERN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1 ZINC000584637325 346701078 /nfs/dbraw/zinc/70/10/78/346701078.db2.gz XWKAXVVNLQRIIB-UHFFFAOYSA-N 0 0 257.171 3.004 10 5 CGBERN Cc1nnc([C@H](C)Nc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000273447451 192154105 /nfs/dbraw/zinc/15/41/05/192154105.db2.gz CMPRJHFFYYVMIQ-QMMMGPOBSA-N 0 0 278.337 3.236 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000091252297 180113890 /nfs/dbraw/zinc/11/38/90/180113890.db2.gz DKCNPCFJMKMXAB-SSDOTTSWSA-N 0 0 289.131 3.467 10 5 CGBERN C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000172780521 188826161 /nfs/dbraw/zinc/82/61/61/188826161.db2.gz IAKROVUAKRLTJM-LBPRGKRZSA-N 0 0 287.319 3.007 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000301784112 201196312 /nfs/dbraw/zinc/19/63/12/201196312.db2.gz OPUFJAJKSQYPTK-QWHCGFSZSA-N 0 0 292.335 3.167 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301810467 201212683 /nfs/dbraw/zinc/21/26/83/201212683.db2.gz ZUQSGFMLVSEKAA-NXEZZACHSA-N 0 0 268.288 3.103 10 5 CGBERN O=[N+]([O-])c1ccc2c(c1)ncnc2NCc1ccccc1 ZINC000013743116 368664346 /nfs/dbraw/zinc/66/43/46/368664346.db2.gz LFJDGEHGHHXGBE-UHFFFAOYSA-N 0 0 280.287 3.150 10 5 CGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000227648425 189786886 /nfs/dbraw/zinc/78/68/86/189786886.db2.gz CJHFUKNUNPAYBX-ZETCQYMHSA-N 0 0 267.672 3.409 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000227760176 189788190 /nfs/dbraw/zinc/78/81/90/189788190.db2.gz QTVJUKISHGTHMW-GHMZBOCLSA-N 0 0 268.288 3.103 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCc1cccs1 ZINC000052119301 369464614 /nfs/dbraw/zinc/46/46/14/369464614.db2.gz CCVHJNIKRCVFNF-UHFFFAOYSA-N 0 0 266.297 3.450 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(F)c1NCc1ccccc1 ZINC000053162743 369479604 /nfs/dbraw/zinc/47/96/04/369479604.db2.gz JWEXABGTODTXGP-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN C[C@@H]1SCCN(c2cccc(F)c2[N+](=O)[O-])[C@H]1C ZINC000134772179 371362431 /nfs/dbraw/zinc/36/24/31/371362431.db2.gz DALUSQPRUAWLOC-IUCAKERBSA-N 0 0 270.329 3.064 10 5 CGBERN CCn1ccnc1CSCc1ccc([N+](=O)[O-])cc1 ZINC000175312992 373449481 /nfs/dbraw/zinc/44/94/81/373449481.db2.gz MOZPMYMSXGKAGD-UHFFFAOYSA-N 0 0 277.349 3.245 10 5 CGBERN Cc1n[nH]c(C)c1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301222403 373696362 /nfs/dbraw/zinc/69/63/62/373696362.db2.gz CVLUMXQLGHYYGW-UHFFFAOYSA-N 0 0 297.318 3.095 10 5 CGBERN C[C@H](C[C@@H]1CCCO1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302789590 373963361 /nfs/dbraw/zinc/96/33/61/373963361.db2.gz FDMBIYHILYVNSU-KOLCDFICSA-N 0 0 268.288 3.103 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H](O)c1ccc(F)cc1 ZINC000302824942 373977238 /nfs/dbraw/zinc/97/72/38/373977238.db2.gz XYEAKNTZSURXHK-AWEZNQCLSA-N 0 0 294.257 3.019 10 5 CGBERN CSCCN(C)c1c(C)cc([N+](=O)[O-])cc1Cl ZINC000302838156 373981011 /nfs/dbraw/zinc/98/10/11/373981011.db2.gz YICZASGLMWIMJH-UHFFFAOYSA-N 0 0 274.773 3.356 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000227759826 376409661 /nfs/dbraw/zinc/40/96/61/376409661.db2.gz CJDVTLHZSOYWNW-AAEUAGOBSA-N 0 0 264.325 3.273 10 5 CGBERN CC[C@](C)(CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000230216582 376496231 /nfs/dbraw/zinc/49/62/31/376496231.db2.gz WJFYAIYAGRWHMN-GFCCVEGCSA-N 0 0 272.732 3.211 10 5 CGBERN CC[C@@](C)(CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000230216578 376496442 /nfs/dbraw/zinc/49/64/42/376496442.db2.gz WJFYAIYAGRWHMN-LBPRGKRZSA-N 0 0 272.732 3.211 10 5 CGBERN COc1cccc(N[C@@H](C)c2ncc(C)o2)c1[N+](=O)[O-] ZINC000234993976 376626394 /nfs/dbraw/zinc/62/63/94/376626394.db2.gz HJGYGVSAQWKAEL-VIFPVBQESA-N 0 0 277.280 3.073 10 5 CGBERN O=[N+]([O-])c1c(CO)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575379378 377891610 /nfs/dbraw/zinc/89/16/10/377891610.db2.gz IDWPRIRGTYLJKR-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CCOc1c(OC(F)F)cc(CC)cc1[N+](=O)[O-] ZINC000575656386 377933659 /nfs/dbraw/zinc/93/36/59/377933659.db2.gz RMNNHDZCUZZWOQ-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1ccc(OC(F)F)c(CC)c1[N+](=O)[O-] ZINC000575656574 377933928 /nfs/dbraw/zinc/93/39/28/377933928.db2.gz UGEZKEHEKZTBOL-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCc1cc(CC)c(Br)c([N+](=O)[O-])c1 ZINC000575681068 377956210 /nfs/dbraw/zinc/95/62/10/377956210.db2.gz SDTWVVANFKXXSB-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN O=[N+]([O-])c1c(F)cc(OC(F)F)cc1OC(F)(F)F ZINC000575660966 377936936 /nfs/dbraw/zinc/93/69/36/377936936.db2.gz FMACMWYBTUZNIP-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=Cc1ccc(C(F)F)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575671911 377948515 /nfs/dbraw/zinc/94/85/15/377948515.db2.gz ONNKQMUTVNVFQN-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN COc1cc(C(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575672001 377948749 /nfs/dbraw/zinc/94/87/49/377948749.db2.gz PWRFAVDXIVTDEM-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)Cc1c([N+](=O)[O-])cc(C)cc1C(F)(F)F ZINC000575673718 377949374 /nfs/dbraw/zinc/94/93/74/377949374.db2.gz MXTZFEZSOTVLAG-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575677833 377952395 /nfs/dbraw/zinc/95/23/95/377952395.db2.gz FLCACUUZOLNSMB-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000044068873 284836108 /nfs/dbraw/zinc/83/61/08/284836108.db2.gz TULCIAFZYJZBAM-HNNXBMFYSA-N 0 0 269.256 3.301 10 5 CGBERN O=[N+]([O-])c1ccc2nc(N3C[C@H]4CCC[C@@H]4C3)ccc2c1 ZINC000301626369 285150998 /nfs/dbraw/zinc/15/09/98/285150998.db2.gz ZZQFKVQYAFTVDV-CHWSQXEVSA-N 0 0 283.331 3.379 10 5 CGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C[C@H]1C=CCC1 ZINC000103376982 165422412 /nfs/dbraw/zinc/42/24/12/165422412.db2.gz CWKUJOSBQMOBQH-RYUDHWBXSA-N 0 0 286.331 3.229 10 5 CGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC000005864527 170148489 /nfs/dbraw/zinc/14/84/89/170148489.db2.gz IMYSAAAMYPTPLK-SNVBAGLBSA-N 0 0 289.262 3.384 10 5 CGBERN O=[N+]([O-])c1ccc(-c2n[nH]c(CCc3ccccc3)n2)cc1 ZINC000005999145 170166769 /nfs/dbraw/zinc/16/67/69/170166769.db2.gz GMMHUICZMIBVAG-UHFFFAOYSA-N 0 0 294.314 3.165 10 5 CGBERN CN(Cc1ccsc1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000007366364 170279312 /nfs/dbraw/zinc/27/93/12/170279312.db2.gz PYUWXXQOOXZCMF-UHFFFAOYSA-N 0 0 276.317 3.105 10 5 CGBERN Cc1nc(Cl)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000008764171 170354867 /nfs/dbraw/zinc/35/48/67/170354867.db2.gz BWBMPCJVGXALOZ-UHFFFAOYSA-N 0 0 270.720 3.091 10 5 CGBERN CCCN(CCC)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925884 172808376 /nfs/dbraw/zinc/80/83/76/172808376.db2.gz IDQDSUGDCCVKJL-UHFFFAOYSA-N 0 0 257.721 3.270 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cccc3ncccc32)o1 ZINC000037197864 173024755 /nfs/dbraw/zinc/02/47/55/173024755.db2.gz MMKKWBNSNROMHI-UHFFFAOYSA-N 0 0 269.260 3.348 10 5 CGBERN C[C@@H](NCc1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000037217322 173035598 /nfs/dbraw/zinc/03/55/98/173035598.db2.gz MMUPNQKHIRIIMV-SECBINFHSA-N 0 0 264.256 3.178 10 5 CGBERN COCC(=O)Nc1cc(C)nc2c3ccccc3ccc12 ZINC000040384501 174251653 /nfs/dbraw/zinc/25/16/53/174251653.db2.gz ZDHKPWGUKGFCDZ-UHFFFAOYSA-N 0 0 280.327 3.281 10 5 CGBERN Cc1cc(C)cc(Nc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000040571113 174338527 /nfs/dbraw/zinc/33/85/27/174338527.db2.gz JDMANALUYQAXGM-UHFFFAOYSA-N 0 0 278.699 3.399 10 5 CGBERN Cc1ccccc1Nc1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040609069 174353436 /nfs/dbraw/zinc/35/34/36/174353436.db2.gz VDQDTGPTTVLXGB-UHFFFAOYSA-N 0 0 299.334 3.037 10 5 CGBERN CCOc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040648171 174364902 /nfs/dbraw/zinc/36/49/02/174364902.db2.gz SJDGPHHAAFNVFA-UHFFFAOYSA-N 0 0 294.698 3.181 10 5 CGBERN C[C@H]1CCC[C@H](C)N1c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725272735 544115287 /nfs/dbraw/zinc/11/52/87/544115287.db2.gz UIXFNFJEBNWPEV-QWRGUYRKSA-N 0 0 262.309 3.175 10 5 CGBERN CC[C@]1(C)CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302078949 281312339 /nfs/dbraw/zinc/31/23/39/281312339.db2.gz ZIOVBCGXFFRZHT-OAHLLOKOSA-N 0 0 278.352 3.104 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000251022567 301855113 /nfs/dbraw/zinc/85/51/13/301855113.db2.gz VSQKBQLSERPRAZ-XJKSGUPXSA-N 0 0 290.363 3.035 10 5 CGBERN CNc1c(C(=O)NC2(C)CCCCC2)cccc1[N+](=O)[O-] ZINC000161459741 522537195 /nfs/dbraw/zinc/53/71/95/522537195.db2.gz QEAXUDDUDZSRLD-UHFFFAOYSA-N 0 0 291.351 3.089 10 5 CGBERN Cc1cnc([C@@H](C)Nc2cccc(C)c2[N+](=O)[O-])o1 ZINC000235257538 526129493 /nfs/dbraw/zinc/12/94/93/526129493.db2.gz QHUUTWJJMVGMIR-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Oc1cccc(F)c1F ZINC000062614684 527319729 /nfs/dbraw/zinc/31/97/29/527319729.db2.gz JHNPDXFVCWBMFH-UHFFFAOYSA-N 0 0 287.609 3.109 10 5 CGBERN O=[N+]([O-])c1cccc(-c2cc(Cl)cnc2F)c1 ZINC000725241262 567907814 /nfs/dbraw/zinc/90/78/14/567907814.db2.gz HOQFKXLLAJRBME-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000150077643 622444652 /nfs/dbraw/zinc/44/46/52/622444652.db2.gz UIILRHYIQKRQRW-OIBJUYFYSA-N 0 0 272.251 3.122 10 5 CGBERN Cc1cnc([C@@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000227555577 623022622 /nfs/dbraw/zinc/02/26/22/623022622.db2.gz ZMYTVKCKSIIESR-SECBINFHSA-N 0 0 295.726 3.395 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)cc1NCC[C@@H]1CCCO1 ZINC000124753889 634497585 /nfs/dbraw/zinc/49/75/85/634497585.db2.gz OQIVMIWPAZLVOG-JTQLQIEISA-N 0 0 270.716 3.229 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)c2ccncc2)cc1[N+](=O)[O-] ZINC000084808986 636764629 /nfs/dbraw/zinc/76/46/29/636764629.db2.gz IWYNAPPTEMEZPH-LLVKDONJSA-N 0 0 286.287 3.216 10 5 CGBERN CCC(C)(C)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588435394 799693960 /nfs/dbraw/zinc/69/39/60/799693960.db2.gz DSOYVSXIKJDUTK-KHPPLWFESA-N 0 0 276.336 3.303 10 5 CGBERN O=[N+]([O-])c1ccc(NCc2ccc(F)cc2)cc1F ZINC000083462544 178486545 /nfs/dbraw/zinc/48/65/45/178486545.db2.gz PWAXYOFJLFKQRP-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN Cc1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1 ZINC000000041228 344854531 /nfs/dbraw/zinc/85/45/31/344854531.db2.gz YSNMKIPCJDRXIU-UHFFFAOYSA-N 0 0 253.261 3.242 10 5 CGBERN O=C(CCc1cccc(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000012459896 344879986 /nfs/dbraw/zinc/87/99/86/344879986.db2.gz GPDTWMCLADTOTF-UHFFFAOYSA-N 0 0 288.278 3.305 10 5 CGBERN Cc1cc(NCc2csc(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000074748577 345480443 /nfs/dbraw/zinc/48/04/43/345480443.db2.gz XLRJZWCXLVSHFJ-UHFFFAOYSA-N 0 0 292.364 3.490 10 5 CGBERN Cc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000158195591 232236101 /nfs/dbraw/zinc/23/61/01/232236101.db2.gz RDLKNFRDNXLUNE-AAEUAGOBSA-N 0 0 290.363 3.411 10 5 CGBERN CN(OCc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000092826202 345859547 /nfs/dbraw/zinc/85/95/47/345859547.db2.gz FMQODJPVBAXDOF-UHFFFAOYSA-N 0 0 293.710 3.211 10 5 CGBERN CCCCCC[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H](C)O ZINC000116978041 345981020 /nfs/dbraw/zinc/98/10/20/345981020.db2.gz WUFKITXHQAIDLD-NEPJUHHUSA-N 0 0 281.356 3.122 10 5 CGBERN COc1ccc(Sc2ccc(N)cc2[N+](=O)[O-])cc1 ZINC000114637829 345966594 /nfs/dbraw/zinc/96/65/94/345966594.db2.gz CAJHIRWKRTZHKK-UHFFFAOYSA-N 0 0 276.317 3.337 10 5 CGBERN CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000226086834 346306047 /nfs/dbraw/zinc/30/60/47/346306047.db2.gz XWLLUCQPDQRZSP-UHFFFAOYSA-N 0 0 274.276 3.075 10 5 CGBERN Cc1ccc(Cl)c(OC(F)(F)F)c1[N+](=O)[O-] ZINC000396153290 346580058 /nfs/dbraw/zinc/58/00/58/346580058.db2.gz DTYPUOLZXYGSGU-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN CC(C)(CCC(=O)c1c[nH]c2ccccc12)[N+](=O)[O-] ZINC000584620465 346695646 /nfs/dbraw/zinc/69/56/46/346695646.db2.gz PZYZRIPAJGMALV-UHFFFAOYSA-N 0 0 260.293 3.186 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000176941955 189015634 /nfs/dbraw/zinc/01/56/34/189015634.db2.gz UENVPAGMROMPCY-YPMHNXCESA-N 0 0 293.319 3.077 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000184468722 189387069 /nfs/dbraw/zinc/38/70/69/189387069.db2.gz HHFFTQNRWDNSND-NSHDSACASA-N 0 0 288.303 3.296 10 5 CGBERN Cc1cc(N2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000019816159 368768663 /nfs/dbraw/zinc/76/86/63/368768663.db2.gz KEWUMZWYOOCFPE-UHFFFAOYSA-N 0 0 271.320 3.442 10 5 CGBERN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000024107757 368828577 /nfs/dbraw/zinc/82/85/77/368828577.db2.gz CYWFTUSPAZPVHO-MRVPVSSYSA-N 0 0 279.246 3.441 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@@H]2COc3ccccc32)cc1 ZINC000058545179 369570058 /nfs/dbraw/zinc/57/00/58/369570058.db2.gz NLFBUSKCWBQQMO-CYBMUJFWSA-N 0 0 256.261 3.140 10 5 CGBERN Cc1ccc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)o1 ZINC000073000309 369848189 /nfs/dbraw/zinc/84/81/89/369848189.db2.gz GSSFCICZJAHILJ-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN CC(C)N(Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000095088067 370172461 /nfs/dbraw/zinc/17/24/61/370172461.db2.gz ZHDDRRVVKPTPFE-UHFFFAOYSA-N 0 0 262.231 3.325 10 5 CGBERN CCCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377526 370325437 /nfs/dbraw/zinc/32/54/37/370325437.db2.gz YJBFGVIXZPOGQP-NSHDSACASA-N 0 0 276.336 3.453 10 5 CGBERN C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000150053183 371530262 /nfs/dbraw/zinc/53/02/62/371530262.db2.gz NBTKPZCNGJHBTM-XCBNKYQSSA-N 0 0 290.241 3.203 10 5 CGBERN C[C@@H](C[C@@H]1CCCO1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302789592 373964223 /nfs/dbraw/zinc/96/42/23/373964223.db2.gz FDMBIYHILYVNSU-ONGXEEELSA-N 0 0 268.288 3.103 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1N(Cc1cccnc1)C1CC1 ZINC000302789093 373964236 /nfs/dbraw/zinc/96/42/36/373964236.db2.gz DIMFPOZBMSORFH-UHFFFAOYSA-N 0 0 287.294 3.298 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCCOC1CCCC1 ZINC000302789915 373963440 /nfs/dbraw/zinc/96/34/40/373963440.db2.gz FTUPJYOEZYAKSJ-UHFFFAOYSA-N 0 0 282.315 3.495 10 5 CGBERN C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000214727862 376144709 /nfs/dbraw/zinc/14/47/09/376144709.db2.gz RVGXJPACNYTQSI-IINYFYTJSA-N 0 0 287.319 3.122 10 5 CGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000227648422 376403326 /nfs/dbraw/zinc/40/33/26/376403326.db2.gz CJHFUKNUNPAYBX-SSDOTTSWSA-N 0 0 267.672 3.409 10 5 CGBERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000230185796 376493756 /nfs/dbraw/zinc/49/37/56/376493756.db2.gz KDSRUOQDXRQTSZ-MNOVXSKESA-N 0 0 281.381 3.384 10 5 CGBERN C[C@@H]1C[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000343045879 377887233 /nfs/dbraw/zinc/88/72/33/377887233.db2.gz PAFIVACCPNPDBD-JGPRNRPPSA-N 0 0 282.315 3.349 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1OC(F)F ZINC000575666071 377943133 /nfs/dbraw/zinc/94/31/33/377943133.db2.gz GMLBURYVONJWBX-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575669036 377946194 /nfs/dbraw/zinc/94/61/94/377946194.db2.gz XMCGNGVKHALGBY-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN O=Cc1cc(OC(F)(F)F)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575672337 377948819 /nfs/dbraw/zinc/94/88/19/377948819.db2.gz ZDRXHEAKNXLABH-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN O=Cc1c(Br)c(C(F)F)ccc1[N+](=O)[O-] ZINC000575684910 377960119 /nfs/dbraw/zinc/96/01/19/377960119.db2.gz HYTZQOHIASFEES-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN COc1c(Br)c([N+](=O)[O-])ccc1C(F)F ZINC000575687966 377963177 /nfs/dbraw/zinc/96/31/77/377963177.db2.gz WUUXYRCOJQEPCH-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=Cc1cc(Br)cc([N+](=O)[O-])c1C(F)F ZINC000575687932 377963372 /nfs/dbraw/zinc/96/33/72/377963372.db2.gz WNZNDPSJVVVXIX-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575695630 377969214 /nfs/dbraw/zinc/96/92/14/377969214.db2.gz QLODAYJJKVIKQS-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOC(=O)c1cc(OC(F)F)c([N+](=O)[O-])cc1Cl ZINC000575700022 377972710 /nfs/dbraw/zinc/97/27/10/377972710.db2.gz IRWQLJVCSXMFJY-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCc1cc(C(C)=O)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575703524 377976738 /nfs/dbraw/zinc/97/67/38/377976738.db2.gz NMABORKLNKUGKV-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN COC(=O)c1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575713206 377982753 /nfs/dbraw/zinc/98/27/53/377982753.db2.gz RNLOITXOAHQOOS-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN C[C@@H]1[N@H+](Cc2csc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000408203400 379998569 /nfs/dbraw/zinc/99/85/69/379998569.db2.gz KWWBHOHCZJWCKR-NSHDSACASA-N 0 0 296.392 3.047 10 5 CGBERN C[C@H]1CC(CNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000281705417 393353525 /nfs/dbraw/zinc/35/35/25/393353525.db2.gz BFEMLDOFGOYHQZ-IUCAKERBSA-N 0 0 299.758 3.259 10 5 CGBERN CC[C@@H]1CCCN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])C1 ZINC000036170060 134808192 /nfs/dbraw/zinc/80/81/92/134808192.db2.gz NNLREOKHPKQKDF-VXGBXAGGSA-N 0 0 278.352 3.275 10 5 CGBERN CC(C)(C)[C@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078669979 165136203 /nfs/dbraw/zinc/13/62/03/165136203.db2.gz YMEXCLDTPFWWDK-LLVKDONJSA-N 0 0 272.732 3.067 10 5 CGBERN COC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)c(C)c1N ZINC000002528748 169803381 /nfs/dbraw/zinc/80/33/81/169803381.db2.gz YVICLYQPQHKADF-UHFFFAOYSA-N 0 0 292.316 3.001 10 5 CGBERN O=C(Nc1ccc(F)cc1F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007134577 170268380 /nfs/dbraw/zinc/26/83/80/170268380.db2.gz LAPUQIHNVCPSEK-UHFFFAOYSA-N 0 0 296.204 3.264 10 5 CGBERN COc1ccccc1CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000035224017 172067840 /nfs/dbraw/zinc/06/78/40/172067840.db2.gz WVHYKWGLKZCQNT-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN Cc1cc(C)c(C(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000035368510 172160143 /nfs/dbraw/zinc/16/01/43/172160143.db2.gz YOJBZEVKWDXFLN-UHFFFAOYSA-N 0 0 259.261 3.344 10 5 CGBERN COc1ccc(C(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000035369322 172161085 /nfs/dbraw/zinc/16/10/85/172161085.db2.gz VBKFEOXTINJUJU-UHFFFAOYSA-N 0 0 281.651 3.081 10 5 CGBERN CN[C@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000035464010 172211546 /nfs/dbraw/zinc/21/15/46/172211546.db2.gz OWUSLNRYJIYWHO-LBPRGKRZSA-N 0 0 266.684 3.150 10 5 CGBERN C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000035739843 172393987 /nfs/dbraw/zinc/39/39/87/172393987.db2.gz ONXISOFVFMNKDH-ZETCQYMHSA-N 0 0 267.672 3.409 10 5 CGBERN CO[C@@H]1CCCC[C@@H]1Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037298705 173102843 /nfs/dbraw/zinc/10/28/43/173102843.db2.gz VRVDSAYQYBHEEX-GXTWGEPZSA-N 0 0 264.325 3.273 10 5 CGBERN CC(C)CN(CC(C)C)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037985761 173947293 /nfs/dbraw/zinc/94/72/93/173947293.db2.gz LCUTYOPDKUMBFN-UHFFFAOYSA-N 0 0 296.342 3.488 10 5 CGBERN Cc1cccc(Oc2nsnc2Cl)c1[N+](=O)[O-] ZINC000038082459 174091356 /nfs/dbraw/zinc/09/13/56/174091356.db2.gz GXHQUFQGPYCXDF-UHFFFAOYSA-N 0 0 271.685 3.200 10 5 CGBERN CCNc1ncnc(Nc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000040591726 174347095 /nfs/dbraw/zinc/34/70/95/174347095.db2.gz MLIFSOUNPOULAV-UHFFFAOYSA-N 0 0 287.323 3.177 10 5 CGBERN CC(C)Oc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040649393 174364935 /nfs/dbraw/zinc/36/49/35/174364935.db2.gz BNFZZPYKXXXUDP-UHFFFAOYSA-N 0 0 292.270 3.055 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1cccc2c1OCO2 ZINC000052120063 175532986 /nfs/dbraw/zinc/53/29/86/175532986.db2.gz LFXYCNKHCXXMAI-UHFFFAOYSA-N 0 0 290.250 3.075 10 5 CGBERN CCn1cc(C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000725270798 544115419 /nfs/dbraw/zinc/11/54/19/544115419.db2.gz UAKIVNFNRYUPHX-UHFFFAOYSA-N 0 0 267.235 3.416 10 5 CGBERN C[N@+]1([O-])CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000248082409 280178203 /nfs/dbraw/zinc/17/82/03/280178203.db2.gz VVDXWJOYXVNLLQ-QUCCMNQESA-N 0 0 280.371 3.097 10 5 CGBERN CCNc1ccc(C(=O)N[C@@H](CC)C(C)C)cc1[N+](=O)[O-] ZINC000049091676 500691562 /nfs/dbraw/zinc/69/15/62/500691562.db2.gz CVUABSWRZLHIGO-LBPRGKRZSA-N 0 0 293.367 3.191 10 5 CGBERN CCCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809296 519881416 /nfs/dbraw/zinc/88/14/16/519881416.db2.gz CVTFQJQKJGQQNF-SNVBAGLBSA-N 0 0 251.282 3.308 10 5 CGBERN C[C@H]1CCC[C@@H](SCC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054693236 524154218 /nfs/dbraw/zinc/15/42/18/524154218.db2.gz DOBNDTWAJTUTCT-GXSJLCMTSA-N 0 0 282.365 3.418 10 5 CGBERN C[C@@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840947 524941509 /nfs/dbraw/zinc/94/15/09/524941509.db2.gz FFNDXCCOASDLQQ-VIFPVBQESA-N 0 0 277.349 3.282 10 5 CGBERN C[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000052288478 525328285 /nfs/dbraw/zinc/32/82/85/525328285.db2.gz JCOSELQIZTXMJZ-XRGYYRRGSA-N 0 0 289.118 3.040 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000084808644 525754698 /nfs/dbraw/zinc/75/46/98/525754698.db2.gz QISJTBYKQMOABC-SNVBAGLBSA-N 0 0 251.282 3.163 10 5 CGBERN C[C@@H]1CC=CC[C@@H]1COc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454461 526236784 /nfs/dbraw/zinc/23/67/84/526236784.db2.gz QXOOYKPSQAPFFA-RKDXNWHRSA-N 0 0 283.715 3.019 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccco1 ZINC000050443285 527333761 /nfs/dbraw/zinc/33/37/61/527333761.db2.gz UMMCFFZHKKXJJU-UHFFFAOYSA-N 0 0 266.684 3.131 10 5 CGBERN CCCCO[C@@H](C)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000103675856 630395368 /nfs/dbraw/zinc/39/53/68/630395368.db2.gz YYLWQLDSRODEIE-NEPJUHHUSA-N 0 0 295.335 3.404 10 5 CGBERN C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000133238759 636886909 /nfs/dbraw/zinc/88/69/09/636886909.db2.gz OKTFVTUSHKLAJN-VIFPVBQESA-N 0 0 286.784 3.186 10 5 CGBERN C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000083148779 640594661 /nfs/dbraw/zinc/59/46/61/640594661.db2.gz NTGNWOJDFDPXLR-SNVBAGLBSA-N 0 0 295.360 3.419 10 5 CGBERN C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000083148778 640595126 /nfs/dbraw/zinc/59/51/26/640595126.db2.gz NTGNWOJDFDPXLR-JTQLQIEISA-N 0 0 295.360 3.419 10 5 CGBERN CC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)nc1C ZINC000072416670 345409963 /nfs/dbraw/zinc/40/99/63/345409963.db2.gz BECNAURHAHLWKY-UHFFFAOYSA-N 0 0 256.261 3.168 10 5 CGBERN Cc1cc(N[C@H]2CCc3ccccc32)ncc1[N+](=O)[O-] ZINC000074727598 345479396 /nfs/dbraw/zinc/47/93/96/345479396.db2.gz ZXZPAFLOKUEWIU-ZDUSSCGKSA-N 0 0 269.304 3.398 10 5 CGBERN Cc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000158195724 232236260 /nfs/dbraw/zinc/23/62/60/232236260.db2.gz RDLKNFRDNXLUNE-YPMHNXCESA-N 0 0 290.363 3.411 10 5 CGBERN COC(=O)c1ccc(-c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000130015929 346053563 /nfs/dbraw/zinc/05/35/63/346053563.db2.gz ROVFHNBLNNWDGJ-UHFFFAOYSA-N 0 0 275.235 3.188 10 5 CGBERN COC(=O)c1ccc(-c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000130007279 346053882 /nfs/dbraw/zinc/05/38/82/346053882.db2.gz SGUYTLPOXGTYPT-UHFFFAOYSA-N 0 0 271.272 3.357 10 5 CGBERN COC(=O)CCCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000219716664 346295144 /nfs/dbraw/zinc/29/51/44/346295144.db2.gz PQPNGBYJUOCMDD-UHFFFAOYSA-N 0 0 295.335 3.487 10 5 CGBERN CC(=O)c1c(-c2cccc([N+](=O)[O-])c2)nc2c(F)cccn21 ZINC000230449471 346321303 /nfs/dbraw/zinc/32/13/03/346321303.db2.gz RHGBWIXHOSRCNS-UHFFFAOYSA-N 0 0 299.261 3.251 10 5 CGBERN COc1cc2ncc([N+](=O)[O-])c(Cl)c2cc1Cl ZINC000232204413 346325429 /nfs/dbraw/zinc/32/54/29/346325429.db2.gz KBTOKNDKMVUWBL-UHFFFAOYSA-N 0 0 273.075 3.458 10 5 CGBERN Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1Cl ZINC000396163421 346580803 /nfs/dbraw/zinc/58/08/03/346580803.db2.gz QJQGABBCWGOITJ-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN CN=[S@@](=O)(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000104463782 186006994 /nfs/dbraw/zinc/00/69/94/186006994.db2.gz DHPJRIXQJPGITH-HXUWFJFHSA-N 0 0 291.332 3.079 10 5 CGBERN COc1ccc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000091364442 180142228 /nfs/dbraw/zinc/14/22/28/180142228.db2.gz SAADTSDBSVFUSH-UHFFFAOYSA-N 0 0 269.260 3.147 10 5 CGBERN CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)s1 ZINC000135037061 187791085 /nfs/dbraw/zinc/79/10/85/187791085.db2.gz RIKSWWKIBNZZTK-VIFPVBQESA-N 0 0 292.364 3.490 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000302019959 201303511 /nfs/dbraw/zinc/30/35/11/201303511.db2.gz DQJAEQAQDYGVFB-KGLIPLIRSA-N 0 0 290.363 3.468 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCCS1 ZINC000150181049 371532769 /nfs/dbraw/zinc/53/27/69/371532769.db2.gz MZOVKRLRBCCADP-SECBINFHSA-N 0 0 256.302 3.041 10 5 CGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000193869352 284316685 /nfs/dbraw/zinc/31/66/85/284316685.db2.gz MYKUHUFNGBEVKJ-AWEZNQCLSA-N 0 0 297.314 3.048 10 5 CGBERN Cc1cnc([N+](=O)[O-])c(OCC2CCCCC2)c1 ZINC000216821996 376168451 /nfs/dbraw/zinc/16/84/51/376168451.db2.gz IQRPPLPEBRZWLG-UHFFFAOYSA-N 0 0 250.298 3.257 10 5 CGBERN CC[C@H](C)N(C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090686870 249029599 /nfs/dbraw/zinc/02/95/99/249029599.db2.gz ROHSFAHRAYMSBN-FZMZJTMJSA-N 0 0 293.367 3.486 10 5 CGBERN CCOc1c(CC)ccc([N+](=O)[O-])c1OC(F)F ZINC000575656302 377932762 /nfs/dbraw/zinc/93/27/62/377932762.db2.gz PJZUJVKDEFVTCI-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(F)c(C(F)(F)F)c1 ZINC000575661945 377938912 /nfs/dbraw/zinc/93/89/12/377938912.db2.gz WPRZMASZJCLAGH-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN Cc1c(OC(F)F)cc([N+](=O)[O-])cc1C(F)F ZINC000575665111 377942177 /nfs/dbraw/zinc/94/21/77/377942177.db2.gz BFLNCFXJWANHAO-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1OC(F)F ZINC000575667114 377944952 /nfs/dbraw/zinc/94/49/52/377944952.db2.gz OEYYCQQRDUUDNW-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575667437 377945165 /nfs/dbraw/zinc/94/51/65/377945165.db2.gz NEYSGULVRVXGBX-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1c(OC(F)F)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575669112 377946181 /nfs/dbraw/zinc/94/61/81/377946181.db2.gz YMVHAVQOOIKXTB-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN COc1c(Cl)ccc([N+](=O)[O-])c1Br ZINC000575678442 377952999 /nfs/dbraw/zinc/95/29/99/377952999.db2.gz VEMJCWKIIYUPNN-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(Br)cc1C(F)F ZINC000575688158 377963168 /nfs/dbraw/zinc/96/31/68/377963168.db2.gz YENYOMKLPDYBGI-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CCOc1cc(C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000575697953 377970194 /nfs/dbraw/zinc/97/01/94/377970194.db2.gz UIYPIFHLFIJJHY-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(Cl)cc1C(F)(F)F ZINC000575696179 377970735 /nfs/dbraw/zinc/97/07/35/377970735.db2.gz SJNQTYCQLYJKCH-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOC(=O)c1c(OC(F)F)ccc([N+](=O)[O-])c1Cl ZINC000575701212 377974791 /nfs/dbraw/zinc/97/47/91/377974791.db2.gz VTSOHJUWWMXVKY-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCc1cc(C(C)=O)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575702158 377976213 /nfs/dbraw/zinc/97/62/13/377976213.db2.gz BJZXIEKEPRQRSP-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000272154089 378573889 /nfs/dbraw/zinc/57/38/89/378573889.db2.gz MPVFGHBEDXAQKW-SNVBAGLBSA-N 0 0 278.283 3.486 10 5 CGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2CCC[C@H]21 ZINC000408372810 380007732 /nfs/dbraw/zinc/00/77/32/380007732.db2.gz DQYQXIRCAUDRIH-ZUZCIYMTSA-N 0 0 299.330 3.091 10 5 CGBERN Cc1cccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000163255452 392604396 /nfs/dbraw/zinc/60/43/96/392604396.db2.gz PIYSZESMGZANTH-NEPJUHHUSA-N 0 0 290.363 3.411 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000301560192 292287650 /nfs/dbraw/zinc/28/76/50/292287650.db2.gz KDDMDZRIVOXSEY-HIFRSBDPSA-N 0 0 276.336 3.051 10 5 CGBERN Cc1ccc2oc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2n1 ZINC000103500591 165423656 /nfs/dbraw/zinc/42/36/56/165423656.db2.gz YZJRUPBAJQJRDR-UHFFFAOYSA-N 0 0 282.255 3.275 10 5 CGBERN CC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12 ZINC000006855434 170249830 /nfs/dbraw/zinc/24/98/30/170249830.db2.gz XJUARXZAUDHLCF-UHFFFAOYSA-N 0 0 281.271 3.112 10 5 CGBERN O=c1ccc2nc3cc(Br)ccc3[nH]c-2c1 ZINC000028116698 171547956 /nfs/dbraw/zinc/54/79/56/171547956.db2.gz NRUGEOWCOHVFHZ-UHFFFAOYSA-N 0 0 275.105 3.251 10 5 CGBERN O=Cc1ccc(Oc2ccccc2F)c([N+](=O)[O-])c1 ZINC000034936666 171896798 /nfs/dbraw/zinc/89/67/98/171896798.db2.gz PRGLBXWVJBNOOD-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)nn2)c1 ZINC000037977845 173934573 /nfs/dbraw/zinc/93/45/73/173934573.db2.gz PGYVUBQGQXCDKV-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN CNc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038056753 174067589 /nfs/dbraw/zinc/06/75/89/174067589.db2.gz GFUPLVGZRFWBID-UHFFFAOYSA-N 0 0 258.277 3.216 10 5 CGBERN C[C@@H](O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000038080452 174090188 /nfs/dbraw/zinc/09/01/88/174090188.db2.gz JWTCYSFSCSZNAN-SNVBAGLBSA-N 0 0 259.261 3.440 10 5 CGBERN CC(C)c1ccc(Oc2nc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000040611065 174353578 /nfs/dbraw/zinc/35/35/78/174353578.db2.gz KDSIHGZNMYCGOJ-UHFFFAOYSA-N 0 0 275.264 3.006 10 5 CGBERN Cc1cccnc1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000071344452 176131173 /nfs/dbraw/zinc/13/11/73/176131173.db2.gz UFXZUTNJUCETTH-UHFFFAOYSA-N 0 0 261.256 3.049 10 5 CGBERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000246426465 287706118 /nfs/dbraw/zinc/70/61/18/287706118.db2.gz SKUNWXZQNAIKEI-CKYFFXLPSA-N 0 0 294.376 3.450 10 5 CGBERN CC[C@H](N[C@H](C)c1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000138932721 280969662 /nfs/dbraw/zinc/96/96/62/280969662.db2.gz NSHHAZPHTMWYCK-MFKMUULPSA-N 0 0 274.324 3.120 10 5 CGBERN Cc1cccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000163255563 534597477 /nfs/dbraw/zinc/59/74/77/534597477.db2.gz PIYSZESMGZANTH-NWDGAFQWSA-N 0 0 290.363 3.411 10 5 CGBERN C[C@@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cc1N ZINC000052841100 526147215 /nfs/dbraw/zinc/14/72/15/526147215.db2.gz BGOKDFXETNFNIE-VIFPVBQESA-N 0 0 277.349 3.436 10 5 CGBERN O=C(OCc1cccs1)c1cc([N+](=O)[O-])ccc1F ZINC000070167834 526428406 /nfs/dbraw/zinc/42/84/06/526428406.db2.gz XZAVCTSVDNNWBT-UHFFFAOYSA-N 0 0 281.264 3.152 10 5 CGBERN N=c1sc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000198694124 570377899 /nfs/dbraw/zinc/37/78/99/570377899.db2.gz IRLLUDPYEKGIEL-UHFFFAOYSA-N 0 0 285.328 3.139 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000300577710 637845735 /nfs/dbraw/zinc/84/57/35/637845735.db2.gz FAHQFAMLJLXWTR-ZJUUUORDSA-N 0 0 280.324 3.213 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccoc1 ZINC000588447101 799694948 /nfs/dbraw/zinc/69/49/48/799694948.db2.gz QMKBDOXJRHBKTR-FLIBITNWSA-N 0 0 287.271 3.335 10 5 CGBERN O=[N+]([O-])c1ccc2oc(/C(Cl)=C\c3cocn3)nc2c1 ZINC000588578931 799717125 /nfs/dbraw/zinc/71/71/25/799717125.db2.gz KGXJQCJQKZVMNL-YCRREMRBSA-N 0 0 291.650 3.461 10 5 CGBERN CC(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000033995231 344937395 /nfs/dbraw/zinc/93/73/95/344937395.db2.gz AVFJGNFPDSXOSR-UHFFFAOYSA-N 0 0 272.260 3.346 10 5 CGBERN Cc1cnc(CCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000078373277 345604403 /nfs/dbraw/zinc/60/44/03/345604403.db2.gz SXDNAYOFFQCXGT-UHFFFAOYSA-N 0 0 263.322 3.014 10 5 CGBERN COC(=O)c1ccc(Oc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000086577327 345750798 /nfs/dbraw/zinc/75/07/98/345750798.db2.gz CAVKCKRRYVMAKF-UHFFFAOYSA-N 0 0 291.234 3.313 10 5 CGBERN O=[N+]([O-])c1ccc(N2C3CCC2CC3)nc1C(F)(F)F ZINC000118677000 345990435 /nfs/dbraw/zinc/99/04/35/345990435.db2.gz SCQFXNGSELBCMJ-UHFFFAOYSA-N 0 0 287.241 3.140 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1N1CC2CCC(CC2)C1 ZINC000118786791 345991107 /nfs/dbraw/zinc/99/11/07/345991107.db2.gz XBWZPYSXUURMJD-UHFFFAOYSA-N 0 0 274.320 3.034 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)F)cc1I ZINC000238701085 346350095 /nfs/dbraw/zinc/35/00/95/346350095.db2.gz SITPWTYFDXLXGI-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN CSc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000396107407 346579417 /nfs/dbraw/zinc/57/94/17/346579417.db2.gz SRGJXIZRJLAOBP-UHFFFAOYSA-N 0 0 253.201 3.215 10 5 CGBERN COC(=O)c1ccc(C)c(-c2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000584881160 346720835 /nfs/dbraw/zinc/72/08/35/346720835.db2.gz XNRGUODBKAMFLX-UHFFFAOYSA-N 0 0 289.262 3.496 10 5 CGBERN CC[C@@H](C)O[P@H](=O)Cc1cccc([N+](=O)[O-])c1 ZINC000584604330 346690216 /nfs/dbraw/zinc/69/02/16/346690216.db2.gz ZQTOXGABIZFRBH-SECBINFHSA-N 0 0 257.226 3.385 10 5 CGBERN Clc1ncnc2c1nc1sc3ccccc3n12 ZINC000584635894 346701009 /nfs/dbraw/zinc/70/10/09/346701009.db2.gz JWWVHXIBLGIANZ-UHFFFAOYSA-N 0 0 260.709 3.146 10 5 CGBERN Cn1cc(Nc2ccc([N+](=O)[O-])cc2C(F)F)cn1 ZINC000104224582 185936106 /nfs/dbraw/zinc/93/61/06/185936106.db2.gz YAHSZQDWKQIPAK-UHFFFAOYSA-N 0 0 268.223 3.010 10 5 CGBERN Cc1c(NCc2nccn2C(C)C)cccc1[N+](=O)[O-] ZINC000123654044 187103238 /nfs/dbraw/zinc/10/32/38/187103238.db2.gz NEHRIQJJVJBHGS-UHFFFAOYSA-N 0 0 274.324 3.293 10 5 CGBERN Cc1cccc(N[C@H](C)C2CCOCC2)c1[N+](=O)[O-] ZINC000218868807 138493257 /nfs/dbraw/zinc/49/32/57/138493257.db2.gz FNHYFONAAHYJRJ-LLVKDONJSA-N 0 0 264.325 3.130 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301468799 201019807 /nfs/dbraw/zinc/01/98/07/201019807.db2.gz ZNERRJADZVRZJR-YPMHNXCESA-N 0 0 262.309 3.398 10 5 CGBERN COc1cc(N[C@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000301794786 201201087 /nfs/dbraw/zinc/20/10/87/201201087.db2.gz STVJXCPVICYLBP-UWVGGRQHSA-N 0 0 298.314 3.112 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000302019961 201303335 /nfs/dbraw/zinc/30/33/35/201303335.db2.gz DQJAEQAQDYGVFB-ZIAGYGMSSA-N 0 0 290.363 3.468 10 5 CGBERN C[C@@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000302028225 201305805 /nfs/dbraw/zinc/30/58/05/201305805.db2.gz IWTRFUCBKHKGKI-WZRBSPASSA-N 0 0 278.352 3.324 10 5 CGBERN Cc1cccc(N[C@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000218835671 376190320 /nfs/dbraw/zinc/19/03/20/376190320.db2.gz GDDQOJADRQCXLP-CQSZACIVSA-N 0 0 272.304 3.049 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000230922297 189811874 /nfs/dbraw/zinc/81/18/74/189811874.db2.gz XWWCCLHLMUPUAA-ZYHUDNBSSA-N 0 0 281.381 3.384 10 5 CGBERN Cc1c2ncn(C(=O)OC(C)(C)C)c2c(F)cc1[N+](=O)[O-] ZINC000089194970 370037727 /nfs/dbraw/zinc/03/77/27/370037727.db2.gz FLZVPUIDMBWKAP-UHFFFAOYSA-N 0 0 295.270 3.175 10 5 CGBERN O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114201482 370492105 /nfs/dbraw/zinc/49/21/05/370492105.db2.gz HZPMULSABGMSLQ-AWEZNQCLSA-N 0 0 286.335 3.045 10 5 CGBERN CC(C)(C)[C@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290087221 371899660 /nfs/dbraw/zinc/89/96/60/371899660.db2.gz KGEXQUDNJDFGPH-LLVKDONJSA-N 0 0 273.716 3.034 10 5 CGBERN O=[N+]([O-])c1ccc(NCCCc2cc[nH]n2)c(Cl)c1 ZINC000302785854 373962047 /nfs/dbraw/zinc/96/20/47/373962047.db2.gz VOCZYLCJXYEDHQ-UHFFFAOYSA-N 0 0 280.715 3.016 10 5 CGBERN O=[N+]([O-])c1c(Br)c(F)ccc1C(F)F ZINC000307187360 374144861 /nfs/dbraw/zinc/14/48/61/374144861.db2.gz OWHMIDDAQWKZMI-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN Cc1cnc([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000230641980 376522661 /nfs/dbraw/zinc/52/26/61/376522661.db2.gz YXIZWFPEHVUACO-SECBINFHSA-N 0 0 295.726 3.395 10 5 CGBERN Cc1cc(N[C@H]2CCCC[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000313199795 249089076 /nfs/dbraw/zinc/08/90/76/249089076.db2.gz YKHGVVKEBRDPMH-JQWIXIFHSA-N 0 0 282.315 3.005 10 5 CGBERN CCOc1cc(Br)c(OCC)c([N+](=O)[O-])c1 ZINC000575681530 377955863 /nfs/dbraw/zinc/95/58/63/377955863.db2.gz ZYOAKMULHYJNBH-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)F)c(C(F)(F)F)c1F ZINC000575661447 377938617 /nfs/dbraw/zinc/93/86/17/377938617.db2.gz PZIGWWKZPDNGRA-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN COc1c(C(F)(F)F)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575665355 377941870 /nfs/dbraw/zinc/94/18/70/377941870.db2.gz CXOYJSPIHVGXNA-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN COc1cc([N+](=O)[O-])c(C(F)(F)F)cc1OC(F)F ZINC000575665298 377941945 /nfs/dbraw/zinc/94/19/45/377941945.db2.gz CFFSSRPYRRFAHO-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CCOc1cc(C(C)=O)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575665857 377942947 /nfs/dbraw/zinc/94/29/47/377942947.db2.gz HXPRINMJUIFFEC-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575666835 377944108 /nfs/dbraw/zinc/94/41/08/377944108.db2.gz LFZLGVROQSYGGF-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN COc1c(OC(F)F)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575667707 377945524 /nfs/dbraw/zinc/94/55/24/377945524.db2.gz QNUZCRYZEGQBGG-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(Cl)cc1OC(F)F ZINC000575677005 377952116 /nfs/dbraw/zinc/95/21/16/377952116.db2.gz PECOQFVLXGCMIS-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN COc1c(Br)cc([N+](=O)[O-])cc1C(F)F ZINC000575685431 377960165 /nfs/dbraw/zinc/96/01/65/377960165.db2.gz LEPYPLNQKGBTIM-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CSc1cc([N+](=O)[O-])cc(Br)c1F ZINC000307337982 392649921 /nfs/dbraw/zinc/64/99/21/392649921.db2.gz PZBDMIYWSCMGRE-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000575602128 393201920 /nfs/dbraw/zinc/20/19/20/393201920.db2.gz JBNLGYNOVDWUMG-IRCOFANPSA-N 0 0 282.137 3.218 10 5 CGBERN Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005509204 170105781 /nfs/dbraw/zinc/10/57/81/170105781.db2.gz NFYCMSBSYHGXOQ-UHFFFAOYSA-N 0 0 270.288 3.464 10 5 CGBERN CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000006782175 170242809 /nfs/dbraw/zinc/24/28/09/170242809.db2.gz MAZCVAHZPFDBGI-UHFFFAOYSA-N 0 0 278.337 3.129 10 5 CGBERN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007271998 170274846 /nfs/dbraw/zinc/27/48/46/170274846.db2.gz SYIDIKCEEXYGOB-BXKDBHETSA-N 0 0 280.299 3.042 10 5 CGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000008488817 170337703 /nfs/dbraw/zinc/33/77/03/170337703.db2.gz UUJPYNYLJLAVMC-NSHDSACASA-N 0 0 271.272 3.245 10 5 CGBERN CCCCC(=O)Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000012287572 170474879 /nfs/dbraw/zinc/47/48/79/170474879.db2.gz GOOXIOOUHBPXQK-UHFFFAOYSA-N 0 0 279.321 3.333 10 5 CGBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000019159272 170754087 /nfs/dbraw/zinc/75/40/87/170754087.db2.gz MMBNRWHTOWBJKU-UHFFFAOYSA-N 0 0 278.214 3.125 10 5 CGBERN O=C1Nc2ccccc2[C@H]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000032534446 171732275 /nfs/dbraw/zinc/73/22/75/171732275.db2.gz NPTUNNLCYCITTC-CQSZACIVSA-N 0 0 297.314 3.133 10 5 CGBERN CC1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000035052240 171952248 /nfs/dbraw/zinc/95/22/48/171952248.db2.gz FQIZSACRITXBLX-UHFFFAOYSA-N 0 0 278.308 3.314 10 5 CGBERN CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000035333424 172131621 /nfs/dbraw/zinc/13/16/21/172131621.db2.gz HTXVBGDRUBBSBH-UHFFFAOYSA-N 0 0 264.064 3.078 10 5 CGBERN C[C@@H](O)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000035632293 172315015 /nfs/dbraw/zinc/31/50/15/172315015.db2.gz PKXPLKLPZDVWAN-SNVBAGLBSA-N 0 0 259.261 3.440 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1Oc1ccc(CO)cc1 ZINC000038081224 174090469 /nfs/dbraw/zinc/09/04/69/174090469.db2.gz BKIBSHNKBLXIAI-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Sc1ccccc1 ZINC000040571337 174338581 /nfs/dbraw/zinc/33/85/81/174338581.db2.gz YTAQFVNZOOGBPN-UHFFFAOYSA-N 0 0 267.697 3.189 10 5 CGBERN Cc1ccccc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040597515 174349247 /nfs/dbraw/zinc/34/92/47/174349247.db2.gz OKUCHGDQDUXIIV-UHFFFAOYSA-N 0 0 287.323 3.257 10 5 CGBERN Cc1cc(Oc2ncnc(N)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040608790 174353818 /nfs/dbraw/zinc/35/38/18/174353818.db2.gz OSGNNNMQFRMUGZ-UHFFFAOYSA-N 0 0 294.698 3.030 10 5 CGBERN O=[N+]([O-])c1ccc(Cc2nnc(-c3cccs3)[nH]2)cc1 ZINC000072236664 176345513 /nfs/dbraw/zinc/34/55/13/176345513.db2.gz DAFRMFVUUGJGRK-UHFFFAOYSA-N 0 0 286.316 3.032 10 5 CGBERN CN(c1ccccc1)c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725272989 544115371 /nfs/dbraw/zinc/11/53/71/544115371.db2.gz WXMFGACUUQAJAM-UHFFFAOYSA-N 0 0 256.261 3.175 10 5 CGBERN C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000390699544 262242443 /nfs/dbraw/zinc/24/24/43/262242443.db2.gz KCBAYQRXABKSFK-LBPRGKRZSA-N 0 0 287.319 3.007 10 5 CGBERN C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000052291534 278036005 /nfs/dbraw/zinc/03/60/05/278036005.db2.gz YQWHMMVCURDHRY-LHLIQPBNSA-N 0 0 260.215 3.434 10 5 CGBERN C[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302822301 278484661 /nfs/dbraw/zinc/48/46/61/278484661.db2.gz SGMCBPWIXYQFLX-SNVBAGLBSA-N 0 0 252.289 3.360 10 5 CGBERN CCCC1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC000050906968 519903900 /nfs/dbraw/zinc/90/39/00/519903900.db2.gz HIKUBEWEVVQUMJ-UHFFFAOYSA-N 0 0 284.747 3.055 10 5 CGBERN CCCCN(C(=O)c1cccc([N+](=O)[O-])c1NC)C1CC1 ZINC000161452720 520360895 /nfs/dbraw/zinc/36/08/95/520360895.db2.gz NNBJMDJBHWYBQG-UHFFFAOYSA-N 0 0 291.351 3.041 10 5 CGBERN CCc1ccccc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840375 521912089 /nfs/dbraw/zinc/91/20/89/521912089.db2.gz GJLQXVRTTCQNJJ-UHFFFAOYSA-N 0 0 257.293 3.483 10 5 CGBERN CC[C@H]1CCCC[C@@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454364 523048945 /nfs/dbraw/zinc/04/89/45/523048945.db2.gz SJIAAVFOKIFJHP-IUCAKERBSA-N 0 0 285.731 3.386 10 5 CGBERN C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000054269740 524524664 /nfs/dbraw/zinc/52/46/64/524524664.db2.gz HUQHVTFSSIXICL-NXEZZACHSA-N 0 0 252.289 3.359 10 5 CGBERN Nc1ccc(COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000050830895 527483946 /nfs/dbraw/zinc/48/39/46/527483946.db2.gz GJVCKLAXFOKBRH-UHFFFAOYSA-N 0 0 278.695 3.409 10 5 CGBERN COC1CC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000230595206 623252709 /nfs/dbraw/zinc/25/27/09/623252709.db2.gz KXVDDWISSHTVGB-UHFFFAOYSA-N 0 0 290.241 3.203 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C)n1 ZINC000588435847 799693845 /nfs/dbraw/zinc/69/38/45/799693845.db2.gz MTPLXCWVJNFYIP-KHPPLWFESA-N 0 0 297.314 3.340 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1C(=O)Cc1ccccc1 ZINC000083184630 178351132 /nfs/dbraw/zinc/35/11/32/178351132.db2.gz ZHSSDLTWQIDHCO-UHFFFAOYSA-N 0 0 271.272 3.029 10 5 CGBERN CCC[C@H](C)CNc1ccc(OC)c([N+](=O)[O-])c1 ZINC000083392029 178398668 /nfs/dbraw/zinc/39/86/68/178398668.db2.gz GPSJGWLPVVLKFB-JTQLQIEISA-N 0 0 252.314 3.452 10 5 CGBERN O=C(Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000038125866 344954981 /nfs/dbraw/zinc/95/49/81/344954981.db2.gz NHRNAJSWLDTYAJ-UHFFFAOYSA-N 0 0 259.236 3.159 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(-c2ccccc2)c1[O-] ZINC000036406455 344944149 /nfs/dbraw/zinc/94/41/49/344944149.db2.gz FIEHAWHJXADZLH-UHFFFAOYSA-N 0 0 257.245 3.170 10 5 CGBERN Cc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000158195863 232235927 /nfs/dbraw/zinc/23/59/27/232235927.db2.gz RDLKNFRDNXLUNE-WCQYABFASA-N 0 0 290.363 3.411 10 5 CGBERN O=[N+]([O-])c1cccnc1Nc1cccc(Br)c1 ZINC000114305943 345963797 /nfs/dbraw/zinc/96/37/97/345963797.db2.gz DROZTHFJHQJYSH-UHFFFAOYSA-N 0 0 294.108 3.496 10 5 CGBERN CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000226098557 346305860 /nfs/dbraw/zinc/30/58/60/346305860.db2.gz VWRDLGZSZKUPJU-UHFFFAOYSA-N 0 0 274.276 3.075 10 5 CGBERN O=[N+]([O-])c1c(Cl)ccc(F)c1Br ZINC000306169387 346451178 /nfs/dbraw/zinc/45/11/78/346451178.db2.gz FYJSAOMXUDGTHX-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN C[C@@H]1OCC[C@H]1Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000311789380 346474557 /nfs/dbraw/zinc/47/45/57/346474557.db2.gz FGUOKKIVRVFRHJ-IONNQARKSA-N 0 0 272.251 3.122 10 5 CGBERN O=[N+]([O-])c1ccc(Br)c(F)c1OC(F)F ZINC000396043519 346578659 /nfs/dbraw/zinc/57/86/59/346578659.db2.gz VHKULBKJDCJKEJ-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN COC(=O)c1ccccc1N(C)c1ccccc1[N+](=O)[O-] ZINC000584597620 346688470 /nfs/dbraw/zinc/68/84/70/346688470.db2.gz WJQYPLDRTLDMFQ-UHFFFAOYSA-N 0 0 286.287 3.149 10 5 CGBERN CCOC(=O)c1ccccc1-c1cccc([N+](=O)[O-])c1 ZINC000091692414 180228441 /nfs/dbraw/zinc/22/84/41/180228441.db2.gz AEKYLFINJHWICC-UHFFFAOYSA-N 0 0 271.272 3.439 10 5 CGBERN C[C@@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000302028223 201306291 /nfs/dbraw/zinc/30/62/91/201306291.db2.gz IWTRFUCBKHKGKI-NQBHXWOUSA-N 0 0 278.352 3.324 10 5 CGBERN CCc1ccsc1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302054966 201322866 /nfs/dbraw/zinc/32/28/66/201322866.db2.gz QETNIFRXBZHYIY-UHFFFAOYSA-N 0 0 292.360 3.323 10 5 CGBERN O=[N+]([O-])c1ccccc1NC(=S)NCc1ccccc1 ZINC000013790932 368667873 /nfs/dbraw/zinc/66/78/73/368667873.db2.gz WFHJSOZGKDCMBD-UHFFFAOYSA-N 0 0 287.344 3.081 10 5 CGBERN Cc1csc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC000014212720 368677881 /nfs/dbraw/zinc/67/78/81/368677881.db2.gz AIQPTDLWHZJTLN-UHFFFAOYSA-N 0 0 280.330 3.323 10 5 CGBERN O=c1cc(O)c2c(O)c3cc4ccccc4cc3[nH]c-2c1 ZINC000026467763 368860141 /nfs/dbraw/zinc/86/01/41/368860141.db2.gz JXKRPSRYCOPTAI-UHFFFAOYSA-N 0 0 277.279 3.246 10 5 CGBERN CCC(=O)N[C@H](Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000039339718 369148743 /nfs/dbraw/zinc/14/87/43/369148743.db2.gz SVLKNTFNIRHGDA-OAHLLOKOSA-N 0 0 298.342 3.405 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C/c2ccc(CO)cc2)cc1 ZINC000038314033 369146461 /nfs/dbraw/zinc/14/64/61/369146461.db2.gz UUILBSKFAZOHIH-OWOJBTEDSA-N 0 0 255.273 3.258 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000231662500 189814236 /nfs/dbraw/zinc/81/42/36/189814236.db2.gz BXOWMYRKPDXHDI-KWQFWETISA-N 0 0 265.269 3.104 10 5 CGBERN Cc1ccc([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])o1 ZINC000090692102 370063918 /nfs/dbraw/zinc/06/39/18/370063918.db2.gz KPJWSGNZOQRKGR-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN CC1(C)C[C@H](Nc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000148972850 371526107 /nfs/dbraw/zinc/52/61/07/371526107.db2.gz OXHIBOHWQNUQIZ-SNVBAGLBSA-N 0 0 268.288 3.103 10 5 CGBERN CC(C)Nc1sc(Br)cc1[N+](=O)[O-] ZINC000306226738 374130541 /nfs/dbraw/zinc/13/05/41/374130541.db2.gz GJEPRNXKJFPQAH-UHFFFAOYSA-N 0 0 265.132 3.239 10 5 CGBERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191851957 375669481 /nfs/dbraw/zinc/66/94/81/375669481.db2.gz ZSRYYTMNQXUTMJ-PSASIEDQSA-N 0 0 298.726 3.002 10 5 CGBERN Cc1cnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)o1 ZINC000226546778 376363287 /nfs/dbraw/zinc/36/32/87/376363287.db2.gz ASBGTJYHMAOFGH-ZETCQYMHSA-N 0 0 282.687 3.113 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000231662503 376563004 /nfs/dbraw/zinc/56/30/04/376563004.db2.gz BXOWMYRKPDXHDI-GZMMTYOYSA-N 0 0 265.269 3.104 10 5 CGBERN COc1cc(C(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575652857 377930784 /nfs/dbraw/zinc/93/07/84/377930784.db2.gz WTMXKTIMLBMAPO-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN COc1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)F ZINC000575652935 377930828 /nfs/dbraw/zinc/93/08/28/377930828.db2.gz YUDMCUPYDSBTRM-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN CCOC(=O)Cc1cc(C)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575673944 377949738 /nfs/dbraw/zinc/94/97/38/377949738.db2.gz PXNWXYIWVZBYEY-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CCOC(=O)Cc1c(C)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575675952 377950615 /nfs/dbraw/zinc/95/06/15/377950615.db2.gz ZRPLXZAUHOGHRT-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)F)c(Cl)c1OC(F)F ZINC000575677297 377951720 /nfs/dbraw/zinc/95/17/20/377951720.db2.gz SLLQIIOGOBVQEI-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@+](C)([O-])CC3 ZINC000575418388 377905957 /nfs/dbraw/zinc/90/59/57/377905957.db2.gz MGJJSTRKGXVSLY-AITUJVMLSA-N 0 0 288.411 3.287 10 5 CGBERN CC(=O)c1cc(Br)c([N+](=O)[O-])cc1C(F)F ZINC000575687109 377961910 /nfs/dbraw/zinc/96/19/10/377961910.db2.gz UMGJSAROTHXHHJ-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575693673 377968667 /nfs/dbraw/zinc/96/86/67/377968667.db2.gz DJPXSIODXHYWAJ-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CC(=O)c1cc(Cl)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575694999 377969315 /nfs/dbraw/zinc/96/93/15/377969315.db2.gz PFSIUKJVRMLKLF-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1cc(F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575697839 377970531 /nfs/dbraw/zinc/97/05/31/377970531.db2.gz OBNOAYPLGSEDNS-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCc1nn(C)c(N[C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000091561476 165266412 /nfs/dbraw/zinc/26/64/12/165266412.db2.gz JVILOLVAKGTINY-LLVKDONJSA-N 0 0 288.351 3.372 10 5 CGBERN C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005867347 170148682 /nfs/dbraw/zinc/14/86/82/170148682.db2.gz REOWPQVCGYPCMY-LLVKDONJSA-N 0 0 286.287 3.001 10 5 CGBERN CC[C@H](C)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006330958 170192183 /nfs/dbraw/zinc/19/21/83/170192183.db2.gz YDRPDXUZXQDZRB-ZETCQYMHSA-N 0 0 287.772 3.333 10 5 CGBERN Cc1ccccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007126283 170267953 /nfs/dbraw/zinc/26/79/53/170267953.db2.gz YHYIJZQJMUIHJQ-UHFFFAOYSA-N 0 0 274.251 3.295 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1cccs1 ZINC000008301299 170329842 /nfs/dbraw/zinc/32/98/42/170329842.db2.gz QKCJGUTUWXLZOF-UHFFFAOYSA-N 0 0 276.317 3.146 10 5 CGBERN CCCCCNC(=S)Nc1ccc([N+](=O)[O-])cc1OC ZINC000013818924 170597887 /nfs/dbraw/zinc/59/78/87/170597887.db2.gz CRPYMFJXWFJPHS-UHFFFAOYSA-N 0 0 297.380 3.080 10 5 CGBERN O=C(c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000033493753 171807108 /nfs/dbraw/zinc/80/71/08/171807108.db2.gz XBOSZINISUFQNB-UHFFFAOYSA-N 0 0 296.076 3.181 10 5 CGBERN CCCN(c1ccc([C@@H](C)O)cc1[N+](=O)[O-])C(C)C ZINC000035631654 172313547 /nfs/dbraw/zinc/31/35/47/172313547.db2.gz MNVKGWNJMWZYJZ-LLVKDONJSA-N 0 0 266.341 3.273 10 5 CGBERN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000035739298 172393211 /nfs/dbraw/zinc/39/32/11/172393211.db2.gz ASUZATCDYAMZAY-SECBINFHSA-N 0 0 264.256 3.178 10 5 CGBERN CCCCCN(C)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000037172106 173006025 /nfs/dbraw/zinc/00/60/25/173006025.db2.gz LGWAFTQBOYTMNH-UHFFFAOYSA-N 0 0 257.721 3.270 10 5 CGBERN CC(=O)CCCCOc1cccc(C)c1[N+](=O)[O-] ZINC000038081970 174091177 /nfs/dbraw/zinc/09/11/77/174091177.db2.gz PDWNVIKJEQJZGP-UHFFFAOYSA-N 0 0 251.282 3.041 10 5 CGBERN C[N+]1([O-])CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000038877730 174158723 /nfs/dbraw/zinc/15/87/23/174158723.db2.gz ADOSMCNCNFMWSW-ZENAZSQFSA-N 0 0 269.344 3.251 10 5 in-vitro CGBERN CCN(CC)c1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040608163 174353017 /nfs/dbraw/zinc/35/30/17/174353017.db2.gz HASQUAUONKCXMT-UHFFFAOYSA-N 0 0 288.307 3.023 10 5 CGBERN CC(C)Oc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040627699 174356987 /nfs/dbraw/zinc/35/69/87/174356987.db2.gz PIUKKIWJEWWKNI-UHFFFAOYSA-N 0 0 292.270 3.055 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000231663167 287642921 /nfs/dbraw/zinc/64/29/21/287642921.db2.gz ZRHACZNMHQOMLO-ONGXEEELSA-N 0 0 250.298 3.204 10 5 CGBERN Cc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000014909854 278582850 /nfs/dbraw/zinc/58/28/50/278582850.db2.gz HTHSMVZFGLLQAH-UHFFFAOYSA-N 0 0 294.930 3.428 10 5 CGBERN O=[N+]([O-])c1cnc(N2CC[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000408361948 280380954 /nfs/dbraw/zinc/38/09/54/280380954.db2.gz KQCWZNVQEKPMPV-GZMMTYOYSA-N 0 0 267.716 3.022 10 5 CGBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1NC)C1CCCC1 ZINC000161437683 520102318 /nfs/dbraw/zinc/10/23/18/520102318.db2.gz QWLUBROJCXVFMA-UHFFFAOYSA-N 0 0 291.351 3.041 10 5 CGBERN C[C@@H]1CCC[C@H](SCC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054693230 524412825 /nfs/dbraw/zinc/41/28/25/524412825.db2.gz DOBNDTWAJTUTCT-KOLCDFICSA-N 0 0 282.365 3.418 10 5 CGBERN Cc1cc(Sc2ccc([N+](=O)[O-])cc2)nc(Cl)n1 ZINC000052815230 525442398 /nfs/dbraw/zinc/44/23/98/525442398.db2.gz BKSYFHXGDLYTGL-UHFFFAOYSA-N 0 0 281.724 3.498 10 5 CGBERN Cc1c(C[C@H](C(C)C)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000061688695 525738298 /nfs/dbraw/zinc/73/82/98/525738298.db2.gz CYVADNROXWOEOS-WCQYABFASA-N 0 0 251.326 3.099 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1OCc1cccs1 ZINC000049585365 527356416 /nfs/dbraw/zinc/35/64/16/527356416.db2.gz UHCHQJONLWDOKV-UHFFFAOYSA-N 0 0 270.697 3.284 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCOC1CCCC1 ZINC000111639280 527356726 /nfs/dbraw/zinc/35/67/26/527356726.db2.gz ALLDMZYTDFWZQF-UHFFFAOYSA-N 0 0 268.288 3.105 10 5 CGBERN Cc1cnc([C@H](C)Nc2cccc(F)c2[N+](=O)[O-])o1 ZINC000235554676 618807580 /nfs/dbraw/zinc/80/75/80/618807580.db2.gz OTOBXXAMVWMXFZ-QMMMGPOBSA-N 0 0 265.244 3.203 10 5 CGBERN CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000049091670 640083194 /nfs/dbraw/zinc/08/31/94/640083194.db2.gz BFVMEEOEJBBIMS-NSHDSACASA-N 0 0 284.743 3.413 10 5 CGBERN CCC1(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588440322 799694849 /nfs/dbraw/zinc/69/48/49/799694849.db2.gz QQGDMCFYXAUSMG-BENRWUELSA-N 0 0 288.347 3.305 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1(C)CCC1 ZINC000588447779 799695875 /nfs/dbraw/zinc/69/58/75/799695875.db2.gz WKTCJUSOTCBSGJ-KHPPLWFESA-N 0 0 275.304 3.484 10 5 CGBERN CC(=O)c1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1CO2 ZINC000034111832 344937809 /nfs/dbraw/zinc/93/78/09/344937809.db2.gz DWVABMVMHFUNDP-UHFFFAOYSA-N 0 0 285.255 3.482 10 5 CGBERN COC(=O)Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000039290383 344959415 /nfs/dbraw/zinc/95/94/15/344959415.db2.gz GOWRAHXICLNFMJ-UHFFFAOYSA-N 0 0 287.271 3.103 10 5 CGBERN O=[N+]([O-])c1ccc2c(ccn2CCCCCCCO)c1 ZINC000034550468 344940356 /nfs/dbraw/zinc/94/03/56/344940356.db2.gz YUDBYVZISOPHGW-UHFFFAOYSA-N 0 0 276.336 3.492 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078370695 345604573 /nfs/dbraw/zinc/60/45/73/345604573.db2.gz YKXNXUSCOUBPLU-GHMZBOCLSA-N 0 0 262.284 3.136 10 5 CGBERN Cc1ccc(Sc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 ZINC000117796645 345986320 /nfs/dbraw/zinc/98/63/20/345986320.db2.gz CIEPKVYKRNPPPC-UHFFFAOYSA-N 0 0 288.328 3.153 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1Nc1cncc(F)c1 ZINC000145759589 346121776 /nfs/dbraw/zinc/12/17/76/346121776.db2.gz GWCVCIRAHFXVLY-UHFFFAOYSA-N 0 0 251.192 3.012 10 5 CGBERN O=[N+]([O-])[C@]1(Br)C=CC(c2ccccc2)=CC1 ZINC000085482969 179080520 /nfs/dbraw/zinc/08/05/20/179080520.db2.gz BAZNURAZFFEIPE-GFCCVEGCSA-N 0 0 280.121 3.398 10 5 CGBERN O=[N+]([O-])c1c(Br)ccc(OC(F)F)c1F ZINC000396042413 346578267 /nfs/dbraw/zinc/57/82/67/346578267.db2.gz RURKKBZTFRPCNJ-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000514282159 346637942 /nfs/dbraw/zinc/63/79/42/346637942.db2.gz MNKAKPKRVOQBPB-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=Cc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000514278661 346637969 /nfs/dbraw/zinc/63/79/69/346637969.db2.gz CIAOMDCFEANVSC-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=[N+]([O-])c1cccc(OCCc2ccc(F)cc2)c1 ZINC000584593198 346686483 /nfs/dbraw/zinc/68/64/83/346686483.db2.gz WOZUAFYXQHYJML-UHFFFAOYSA-N 0 0 261.252 3.355 10 5 CGBERN CC[C@H](C)O[P@H](=O)Cc1cccc([N+](=O)[O-])c1 ZINC000584604331 346690496 /nfs/dbraw/zinc/69/04/96/346690496.db2.gz ZQTOXGABIZFRBH-VIFPVBQESA-N 0 0 257.226 3.385 10 5 CGBERN O=[N+]([O-])c1ccc(CCSC(F)(F)F)cc1 ZINC000584609174 346691817 /nfs/dbraw/zinc/69/18/17/346691817.db2.gz DTFUVIAPEZBFOA-UHFFFAOYSA-N 0 0 251.229 3.390 10 5 CGBERN Cn1ncc(/C=C/c2ccccc2[N+](=O)[O-])c1Cl ZINC000584610198 346692035 /nfs/dbraw/zinc/69/20/35/346692035.db2.gz ZFESFODOZDGTBP-VOTSOKGWSA-N 0 0 263.684 3.152 10 5 CGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000104238495 185939375 /nfs/dbraw/zinc/93/93/75/185939375.db2.gz BPYFVMZKDZZDLZ-NSHDSACASA-N 0 0 252.314 3.450 10 5 CGBERN COc1ccccc1C(=O)n1ccc2cc([N+](=O)[O-])ccc21 ZINC000090555090 180003341 /nfs/dbraw/zinc/00/33/41/180003341.db2.gz RIIVACVSNAQMBV-UHFFFAOYSA-N 0 0 296.282 3.247 10 5 CGBERN COc1cccc([N+](=O)[O-])c1OCc1ccccc1 ZINC000091693003 180228998 /nfs/dbraw/zinc/22/89/98/180228998.db2.gz PXIAMHGCMVEIPA-UHFFFAOYSA-N 0 0 259.261 3.182 10 5 CGBERN Cn1cccc1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050595335 137914135 /nfs/dbraw/zinc/91/41/35/137914135.db2.gz ZCDQKKVYRVRYQS-UHFFFAOYSA-N 0 0 265.700 3.199 10 5 CGBERN O=[N+]([O-])c1cccnc1NCC1(c2ccccc2F)CC1 ZINC000301279773 200961571 /nfs/dbraw/zinc/96/15/71/200961571.db2.gz NQDAXUAXRRNBBK-UHFFFAOYSA-N 0 0 287.294 3.273 10 5 CGBERN Cc1csc(CN(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000301305056 200970342 /nfs/dbraw/zinc/97/03/42/200970342.db2.gz XVLYLJPASTYTCO-UHFFFAOYSA-N 0 0 281.312 3.135 10 5 CGBERN CO[C@H](C)CCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181668314 189303979 /nfs/dbraw/zinc/30/39/79/189303979.db2.gz BJSOVSKVSLBTQG-VXGBXAGGSA-N 0 0 295.335 3.323 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3ccccc32)n1 ZINC000120668870 370789615 /nfs/dbraw/zinc/78/96/15/370789615.db2.gz OJUWXDIAJVCBCK-ZDUSSCGKSA-N 0 0 269.304 3.398 10 5 CGBERN Cc1ccc(CN(C)c2nccc(C)c2[N+](=O)[O-])cc1F ZINC000302732662 201531088 /nfs/dbraw/zinc/53/10/88/201531088.db2.gz UQZZVQODHOZRLH-UHFFFAOYSA-N 0 0 289.310 3.382 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000017963440 368736523 /nfs/dbraw/zinc/73/65/23/368736523.db2.gz NGLGRNFLVZCGFC-LBPRGKRZSA-N 0 0 284.315 3.394 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C/c2cn3ccccc3n2)cc1 ZINC000027231890 368868924 /nfs/dbraw/zinc/86/89/24/368868924.db2.gz XRFBTUZBMGMNJQ-QPJJXVBHSA-N 0 0 265.272 3.413 10 5 CGBERN CCCSCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377981 370325161 /nfs/dbraw/zinc/32/51/61/370325161.db2.gz LKJLGEBYOVCXRC-SNVBAGLBSA-N 0 0 294.376 3.016 10 5 CGBERN COc1cc(NCC2(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000131222103 371091077 /nfs/dbraw/zinc/09/10/77/371091077.db2.gz VEENEOYZAJXBDY-UHFFFAOYSA-N 0 0 262.309 3.206 10 5 CGBERN Cc1ccnc(Oc2ccc3c(c2)CCC3=O)c1[N+](=O)[O-] ZINC000302556536 373895104 /nfs/dbraw/zinc/89/51/04/373895104.db2.gz RXUNXFZHFILYOG-UHFFFAOYSA-N 0 0 284.271 3.219 10 5 CGBERN Cc1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1F ZINC000302726398 373941814 /nfs/dbraw/zinc/94/18/14/373941814.db2.gz PIHWWYZIHMCMMN-UHFFFAOYSA-N 0 0 275.283 3.074 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1CO ZINC000231675626 376564640 /nfs/dbraw/zinc/56/46/40/376564640.db2.gz IRLXZJLDTIFNRY-GXSJLCMTSA-N 0 0 284.743 3.211 10 5 CGBERN CCOc1cc(OC(F)F)c(CC)cc1[N+](=O)[O-] ZINC000575654572 377931710 /nfs/dbraw/zinc/93/17/10/377931710.db2.gz COKUIDDOLMUFLR-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1cc(OC(F)F)cc(CC)c1[N+](=O)[O-] ZINC000575657207 377933673 /nfs/dbraw/zinc/93/36/73/377933673.db2.gz ZBFLUEJRHYSRSB-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=Cc1ccc([N+](=O)[O-])c(OC(F)F)c1C(F)(F)F ZINC000575667911 377945066 /nfs/dbraw/zinc/94/50/66/377945066.db2.gz SKFPIMDIHQKPEW-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN Cc1c(C(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575669081 377946071 /nfs/dbraw/zinc/94/60/71/377946071.db2.gz YDYRNFMHHUCJCR-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CCOC(=O)Cc1cc(C)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575674854 377949328 /nfs/dbraw/zinc/94/93/28/377949328.db2.gz VKBYAHLWFIUYGV-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CCc1cc(Br)c(CC)c([N+](=O)[O-])c1 ZINC000575679649 377953872 /nfs/dbraw/zinc/95/38/72/377953872.db2.gz BXHBFVZEMIYNAF-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN CCOC(=O)Cc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000575396752 377903877 /nfs/dbraw/zinc/90/38/77/377903877.db2.gz BKYJXKMNBAUWOK-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(C(F)F)cc1Br ZINC000575686719 377961922 /nfs/dbraw/zinc/96/19/22/377961922.db2.gz RJEFGDSBIIRMCW-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CCOc1c(C(C)=O)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575698930 377971454 /nfs/dbraw/zinc/97/14/54/377971454.db2.gz NVZSIZMXPFPVRB-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCc1c(C(C)=O)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575704499 377977149 /nfs/dbraw/zinc/97/71/49/377977149.db2.gz WQRJKJSYHQBJMG-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575712241 377981299 /nfs/dbraw/zinc/98/12/99/377981299.db2.gz BXJXZTOGYCASJR-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN CSc1cc(C)c([N+](=O)[O-])c(Br)c1 ZINC000307011791 392645766 /nfs/dbraw/zinc/64/57/66/392645766.db2.gz KCWYOOALNNJLBR-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN Cc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000250884427 134448624 /nfs/dbraw/zinc/44/86/24/134448624.db2.gz YVPOYWVXELLKRW-BBRMVZONSA-N 0 0 290.363 3.035 10 5 CGBERN Cc1ccc(N2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000301472046 292135995 /nfs/dbraw/zinc/13/59/95/292135995.db2.gz KMOAQJOEGCYQRW-MNOVXSKESA-N 0 0 266.366 3.233 10 5 CGBERN CC[C@@H](C)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006330954 170192452 /nfs/dbraw/zinc/19/24/52/170192452.db2.gz YDRPDXUZXQDZRB-SSDOTTSWSA-N 0 0 287.772 3.333 10 5 CGBERN C[C@H]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000020517218 171232608 /nfs/dbraw/zinc/23/26/08/171232608.db2.gz KZXBHHYCNFTDQZ-GWCFXTLKSA-N 0 0 263.293 3.365 10 5 CGBERN O=[N+]([O-])c1cc2c(cc1NCc1ccccc1F)OCO2 ZINC000035052242 171953364 /nfs/dbraw/zinc/95/33/64/171953364.db2.gz FIJDISUBWKTMQJ-UHFFFAOYSA-N 0 0 290.250 3.075 10 5 CGBERN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000035216713 172057574 /nfs/dbraw/zinc/05/75/74/172057574.db2.gz GTAZNPGZRXVRFA-PRHODGIISA-N 0 0 270.716 3.228 10 5 CGBERN COc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])o1 ZINC000037200650 173025444 /nfs/dbraw/zinc/02/54/44/173025444.db2.gz PFXRTBJQINWUCX-UHFFFAOYSA-N 0 0 282.683 3.462 10 5 CGBERN Cc1cc(Oc2ccc(Cl)nn2)ccc1[N+](=O)[O-] ZINC000037977844 173934664 /nfs/dbraw/zinc/93/46/64/173934664.db2.gz QSJDXHZZSKLNAI-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN Cc1cccc(Nc2ncnc(Cl)c2[N+](=O)[O-])c1C ZINC000040571247 174338496 /nfs/dbraw/zinc/33/84/96/174338496.db2.gz HUPRZJFGTMANCT-UHFFFAOYSA-N 0 0 278.699 3.399 10 5 CGBERN Cc1ccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040609088 174353512 /nfs/dbraw/zinc/35/35/12/174353512.db2.gz LAYAVVSFQTZPOT-UHFFFAOYSA-N 0 0 299.334 3.037 10 5 CGBERN Cc1ccc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)o1 ZINC000073000308 176448042 /nfs/dbraw/zinc/44/80/42/176448042.db2.gz GSSFCICZJAHILJ-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN CC(C)(C)OC(=O)N1[C@@H]2C=C[C@H]1c1cc([N+](=O)[O-])ccc12 ZINC000095938293 277196727 /nfs/dbraw/zinc/19/67/27/277196727.db2.gz GKOHCUNVALJZMH-OLZOCXBDSA-N 0 0 288.303 3.498 10 5 CGBERN CC(C)OCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000396501423 288013317 /nfs/dbraw/zinc/01/33/17/288013317.db2.gz VXSRTPTWZRYUAP-UHFFFAOYSA-N 0 0 287.747 3.259 10 5 CGBERN O=C1CCC[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000091692481 280253654 /nfs/dbraw/zinc/25/36/54/280253654.db2.gz LNULIIPCSKKNOC-VIFPVBQESA-N 0 0 258.277 3.303 10 5 CGBERN COC(=O)c1cc(N2C[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301955979 536514114 /nfs/dbraw/zinc/51/41/14/536514114.db2.gz MAQHKKVUAGKHFU-MNOVXSKESA-N 0 0 292.335 3.006 10 5 CGBERN CCn1ccnc1CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000051922500 618802978 /nfs/dbraw/zinc/80/29/78/618802978.db2.gz LJRGIEKSXFDGGL-UHFFFAOYSA-N 0 0 280.715 3.077 10 5 CGBERN CC(=O)[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000232617986 623408856 /nfs/dbraw/zinc/40/88/56/623408856.db2.gz FYFOJZLMQQRJFA-JTQLQIEISA-N 0 0 282.727 3.054 10 5 CGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(C)C ZINC000233896549 624653249 /nfs/dbraw/zinc/65/32/49/624653249.db2.gz JMNFRBFTNNRYQP-GFCCVEGCSA-N 0 0 282.315 3.207 10 5 CGBERN CC[C@H](N[C@@H](C)c1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000138932489 637686911 /nfs/dbraw/zinc/68/69/11/637686911.db2.gz NSHHAZPHTMWYCK-GWCFXTLKSA-N 0 0 274.324 3.120 10 5 CGBERN CC[C@@H](N[C@@H](C)c1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000138932612 637687267 /nfs/dbraw/zinc/68/72/67/637687267.db2.gz NSHHAZPHTMWYCK-GXFFZTMASA-N 0 0 274.324 3.120 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C1CC1 ZINC000588447233 799694765 /nfs/dbraw/zinc/69/47/65/799694765.db2.gz WOKNKZTZMPDNAX-DWOQACPDSA-N 0 0 275.304 3.340 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1(C)CCC1 ZINC000588447711 799695901 /nfs/dbraw/zinc/69/59/01/799695901.db2.gz TXBMQFWIOUUMNN-KHPPLWFESA-N 0 0 274.320 3.057 10 5 CGBERN CC[C@@H](NC(=O)N[C@@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175534783 529636611 /nfs/dbraw/zinc/63/66/11/529636611.db2.gz HFFKTJSNBVLEJF-SMDDNHRTSA-N 0 0 293.367 3.390 10 5 CGBERN CCOc1cc2c(cc1[N+](=O)[O-])C(=O)c1ccccc1-2 ZINC000001701575 344856580 /nfs/dbraw/zinc/85/65/80/344856580.db2.gz HKQDZVLVGSTSFS-UHFFFAOYSA-N 0 0 269.256 3.205 10 5 CGBERN CCOc1c(OC)cc(/C=C/[N+](=O)[O-])cc1SCC ZINC000037628186 344952130 /nfs/dbraw/zinc/95/21/30/344952130.db2.gz APZWVMXIBLWUEC-VOTSOKGWSA-N 0 0 283.349 3.453 10 5 CGBERN Cc1cc2oc(-c3ccccn3)nc2cc1[N+](=O)[O-] ZINC000039284968 344959003 /nfs/dbraw/zinc/95/90/03/344959003.db2.gz IDLCCHJGTJTQSR-UHFFFAOYSA-N 0 0 255.233 3.106 10 5 CGBERN O=[N+]([O-])c1cc(F)cc2sc(Br)nc21 ZINC000044713331 345015836 /nfs/dbraw/zinc/01/58/36/345015836.db2.gz GFPMKYVPAANDRK-UHFFFAOYSA-N 0 0 277.074 3.106 10 5 CGBERN Cc1cnc(NCc2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000078660366 345617779 /nfs/dbraw/zinc/61/77/79/345617779.db2.gz JOZFDWGCEUYBLY-UHFFFAOYSA-N 0 0 292.364 3.490 10 5 CGBERN COc1cc(N2CC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000080972640 345693394 /nfs/dbraw/zinc/69/33/94/345693394.db2.gz XKQVAVCBDGOMLY-YPMHNXCESA-N 0 0 276.336 3.372 10 5 CGBERN O=[N+]([O-])c1cnc2ccc(N3CCCC3)cc2c1Cl ZINC000098061910 345910433 /nfs/dbraw/zinc/91/04/33/345910433.db2.gz ZTBAEXITJFWJOQ-UHFFFAOYSA-N 0 0 277.711 3.397 10 5 CGBERN O=[N+]([O-])c1cnc2sc(-c3ccccc3)nc2c1 ZINC000144333755 346117565 /nfs/dbraw/zinc/11/75/65/346117565.db2.gz JOCLTNKUTXCVHP-UHFFFAOYSA-N 0 0 257.274 3.267 10 5 CGBERN CC(C)CO[P@@](C)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000220868436 346296703 /nfs/dbraw/zinc/29/67/03/346296703.db2.gz NPRXJVHIHPKOIL-GOSISDBHSA-N 0 0 273.225 3.469 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227866431 346311722 /nfs/dbraw/zinc/31/17/22/346311722.db2.gz SUMSRSAQXIQTET-ZANVPECISA-N 0 0 272.308 3.139 10 5 CGBERN Cc1cc(F)c2ncc([N+](=O)[O-])c(Cl)c2c1F ZINC000235928873 346338583 /nfs/dbraw/zinc/33/85/83/346338583.db2.gz FAKAUAXVBQKXMS-UHFFFAOYSA-N 0 0 258.611 3.383 10 5 CGBERN Nc1c(Cl)c(Cl)c(Br)cc1[N+](=O)[O-] ZINC000236349393 346340679 /nfs/dbraw/zinc/34/06/79/346340679.db2.gz MMOSSECFECUZGC-UHFFFAOYSA-N 0 0 285.912 3.246 10 5 CGBERN O=[N+]([O-])c1ccc(Br)c(F)c1Cl ZINC000306309657 346453394 /nfs/dbraw/zinc/45/33/94/346453394.db2.gz PNQVKFASTNSLFQ-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN CC(C)(COc1cnc(Cl)c2ccccc12)[N+](=O)[O-] ZINC000584646323 346703904 /nfs/dbraw/zinc/70/39/04/346703904.db2.gz OQMIQWKGQAUIKS-UHFFFAOYSA-N 0 0 280.711 3.322 10 5 CGBERN Cn1c2ccccc2c2c3ccccc3ncc2c1=O ZINC000584602131 346689651 /nfs/dbraw/zinc/68/96/51/346689651.db2.gz IWKJZMSVMHRFOR-UHFFFAOYSA-N 0 0 260.296 3.240 10 5 CGBERN C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000150064550 187923100 /nfs/dbraw/zinc/92/31/00/187923100.db2.gz SCJVGDULRAKYMB-OIBJUYFYSA-N 0 0 290.241 3.203 10 5 CGBERN Cc1cccc([N+](=O)[O-])c1NCc1ccccc1[N+](=O)[O-] ZINC000112209076 138364519 /nfs/dbraw/zinc/36/45/19/138364519.db2.gz BMIUQRBHUXBFFR-UHFFFAOYSA-N 0 0 287.275 3.424 10 5 CGBERN COC(=O)c1cc(N[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000301965463 201279577 /nfs/dbraw/zinc/27/95/77/201279577.db2.gz UXAGYVIJJRUJGF-SECBINFHSA-N 0 0 280.324 3.228 10 5 CGBERN CCC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCCC1 ZINC000302017597 201300343 /nfs/dbraw/zinc/30/03/43/201300343.db2.gz CUNNCDCWNVPVOY-UHFFFAOYSA-N 0 0 278.352 3.469 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000302069766 201332377 /nfs/dbraw/zinc/33/23/77/201332377.db2.gz VKURXKWGMIFHIX-CABCVRRESA-N 0 0 298.342 3.303 10 5 CGBERN COC(=O)c1ccc(C)c2c3ccccc3c(=O)oc12 ZINC000006070756 368565568 /nfs/dbraw/zinc/56/55/68/368565568.db2.gz KMKSTIMFSHHDHY-UHFFFAOYSA-N 0 0 268.268 3.041 10 5 CGBERN CCOC(=O)c1ccccc1-c1ccccc1[N+](=O)[O-] ZINC000035077601 368995925 /nfs/dbraw/zinc/99/59/25/368995925.db2.gz NLTATGIKBHNKJP-UHFFFAOYSA-N 0 0 271.272 3.439 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000035018616 368991307 /nfs/dbraw/zinc/99/13/07/368991307.db2.gz SGNWNJLCICGHEE-UHFFFAOYSA-N 0 0 287.275 3.424 10 5 CGBERN Cc1nn(C)c(N[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000037998401 369135912 /nfs/dbraw/zinc/13/59/12/369135912.db2.gz HSNKCWDPNXTMJU-QMMMGPOBSA-N 0 0 294.742 3.463 10 5 CGBERN Cc1nn(C)c(N[C@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000037998402 369136432 /nfs/dbraw/zinc/13/64/32/369136432.db2.gz HSNKCWDPNXTMJU-MRVPVSSYSA-N 0 0 294.742 3.463 10 5 CGBERN CO[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050374969 369436919 /nfs/dbraw/zinc/43/69/19/369436919.db2.gz GDMCATREAKPYHB-JQWIXIFHSA-N 0 0 270.716 3.228 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1cccc(O)c1 ZINC000148921197 371524504 /nfs/dbraw/zinc/52/45/04/371524504.db2.gz TUFJROWWIACHTG-UHFFFAOYSA-N 0 0 262.240 3.052 10 5 CGBERN C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000150064734 371530687 /nfs/dbraw/zinc/53/06/87/371530687.db2.gz SCJVGDULRAKYMB-XCBNKYQSSA-N 0 0 290.241 3.203 10 5 CGBERN Cc1csc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000301267044 373721609 /nfs/dbraw/zinc/72/16/09/373721609.db2.gz IFZMFDZBXZATSX-UHFFFAOYSA-N 0 0 298.755 3.045 10 5 CGBERN CSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000301317461 373742998 /nfs/dbraw/zinc/74/29/98/373742998.db2.gz BFLVDVAUOUUUJH-SNVBAGLBSA-N 0 0 254.355 3.091 10 5 CGBERN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000235543459 376643159 /nfs/dbraw/zinc/64/31/59/376643159.db2.gz CMFWFSRLBOPGJG-QMMMGPOBSA-N 0 0 279.246 3.441 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000251059063 377572648 /nfs/dbraw/zinc/57/26/48/377572648.db2.gz WUVQMBTTZGUNME-BBRMVZONSA-N 0 0 290.363 3.035 10 5 CGBERN O=[N+]([O-])c1c(OC(F)F)c(F)ccc1C(F)(F)F ZINC000575661313 377937048 /nfs/dbraw/zinc/93/70/48/377937048.db2.gz LBJUUDQCJAKHBW-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CCOc1c(C(C)=O)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575667620 377945350 /nfs/dbraw/zinc/94/53/50/377945350.db2.gz SIZDWOOFTYNSSS-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=[N+]([O-])c1cncc(C(F)(F)F)c1C(F)(F)F ZINC000575397638 377904635 /nfs/dbraw/zinc/90/46/35/377904635.db2.gz YIVIPADRHBJWSI-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(C(F)F)cc1Br ZINC000575685968 377961019 /nfs/dbraw/zinc/96/10/19/377961019.db2.gz NTEAUGVHOWRJNN-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(Cl)c1C(F)(F)F ZINC000575694056 377968409 /nfs/dbraw/zinc/96/84/09/377968409.db2.gz IDWUBZGDTDLDMJ-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000272154087 378574021 /nfs/dbraw/zinc/57/40/21/378574021.db2.gz MPVFGHBEDXAQKW-JTQLQIEISA-N 0 0 278.283 3.486 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(Cl)cn3)c2c1 ZINC000091364464 285141439 /nfs/dbraw/zinc/14/14/39/285141439.db2.gz RBAXEESELVKDSE-UHFFFAOYSA-N 0 0 274.667 3.187 10 5 CGBERN CCC1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193397351 392875603 /nfs/dbraw/zinc/87/56/03/392875603.db2.gz ZRTTWHDENVXMSP-UHFFFAOYSA-N 0 0 282.365 3.355 10 5 CGBERN CCc1nn(C)c(NC2CCC(CC)CC2)c1[N+](=O)[O-] ZINC000091561668 165265704 /nfs/dbraw/zinc/26/57/04/165265704.db2.gz NPNJEDDLTIJNSZ-UHFFFAOYSA-N 0 0 280.372 3.271 10 5 CGBERN Nc1ccccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000006896534 170253775 /nfs/dbraw/zinc/25/37/75/170253775.db2.gz KKCFGIFUZVWWIK-UHFFFAOYSA-N 0 0 260.318 3.469 10 5 CGBERN C[C@@H]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000020517217 171232584 /nfs/dbraw/zinc/23/25/84/171232584.db2.gz KZXBHHYCNFTDQZ-MFKMUULPSA-N 0 0 263.293 3.365 10 5 CGBERN C[C@@H]1CCC[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000020517219 171232600 /nfs/dbraw/zinc/23/26/00/171232600.db2.gz VFEXCEYDUISWEL-ZYHUDNBSSA-N 0 0 263.293 3.365 10 5 CGBERN Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000021950969 171339816 /nfs/dbraw/zinc/33/98/16/171339816.db2.gz BEGYQWZHWPVIDW-UHFFFAOYSA-N 0 0 283.209 3.258 10 5 CGBERN CCc1ccc(NC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000027317878 171513082 /nfs/dbraw/zinc/51/30/82/171513082.db2.gz VIXAHXLCZFUNEX-UHFFFAOYSA-N 0 0 276.317 3.471 10 5 CGBERN COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1 ZINC000034221400 171834922 /nfs/dbraw/zinc/83/49/22/171834922.db2.gz SKHIDBFILAQOHD-INIZCTEOSA-N 0 0 298.298 3.469 10 5 CGBERN CC[C@H](C)Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000035344519 172136415 /nfs/dbraw/zinc/13/64/15/172136415.db2.gz NSFPEVMCUZXZNG-ZETCQYMHSA-N 0 0 251.311 3.415 10 5 CGBERN CC(C)CNc1ccc2scnc2c1[N+](=O)[O-] ZINC000035344525 172136516 /nfs/dbraw/zinc/13/65/16/172136516.db2.gz HRQFRBNZISZMIE-UHFFFAOYSA-N 0 0 251.311 3.272 10 5 CGBERN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000035739297 172393582 /nfs/dbraw/zinc/39/35/82/172393582.db2.gz ASUZATCDYAMZAY-VIFPVBQESA-N 0 0 264.256 3.178 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1NCc1ccccc1F ZINC000036925915 172808658 /nfs/dbraw/zinc/80/86/58/172808658.db2.gz OSXROUPRCKOVNZ-UHFFFAOYSA-N 0 0 281.674 3.394 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1NCc1cccc(O)c1 ZINC000037059482 172924657 /nfs/dbraw/zinc/92/46/57/172924657.db2.gz WYJGSVVFQCAWHT-UHFFFAOYSA-N 0 0 258.277 3.221 10 5 CGBERN O=[N+]([O-])c1ccc(CNCc2ccc(Cl)cc2)o1 ZINC000037243128 173058782 /nfs/dbraw/zinc/05/87/82/173058782.db2.gz MNVAZVCQIKRDLN-UHFFFAOYSA-N 0 0 266.684 3.131 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1cc[nH]n1 ZINC000037907448 173840163 /nfs/dbraw/zinc/84/01/63/173840163.db2.gz REBSACUKCWFUJQ-SSDOTTSWSA-N 0 0 266.688 3.144 10 5 CGBERN Cc1c(COc2ccccc2N)cccc1[N+](=O)[O-] ZINC000038056083 174066870 /nfs/dbraw/zinc/06/68/70/174066870.db2.gz KVSZMDSAFJBURR-UHFFFAOYSA-N 0 0 258.277 3.064 10 5 CGBERN O=[N+]([O-])c1ccc2c(ccn2-c2cccc(CO)c2)c1 ZINC000071792060 176263555 /nfs/dbraw/zinc/26/35/55/176263555.db2.gz RRQIGKJRWPBAFH-UHFFFAOYSA-N 0 0 268.272 3.031 10 5 CGBERN CN(Cc1ccccc1)c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725271537 544115353 /nfs/dbraw/zinc/11/53/53/544115353.db2.gz HDAAFGPPTSHTEF-UHFFFAOYSA-N 0 0 270.288 3.044 10 5 CGBERN C[C@@H]1CCC[C@H](C)N1c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725272733 544115370 /nfs/dbraw/zinc/11/53/70/544115370.db2.gz UIXFNFJEBNWPEV-PHIMTYICSA-N 0 0 262.309 3.175 10 5 CGBERN COc1c(Br)c(C)c(Cl)cc1[N+](=O)[O-] ZINC000307123422 260135554 /nfs/dbraw/zinc/13/55/54/260135554.db2.gz XHGGKLVAZOVDRN-UHFFFAOYSA-N 0 0 280.505 3.328 10 5 CGBERN Cc1occc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376966 279276768 /nfs/dbraw/zinc/27/67/68/279276768.db2.gz FKQPGGPYKWZNTD-VIFPVBQESA-N 0 0 286.287 3.088 10 5 CGBERN Cc1nc(N2CCC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301651200 302599132 /nfs/dbraw/zinc/59/91/32/302599132.db2.gz QDTNBAQSEIZJCF-GXTWGEPZSA-N 0 0 275.352 3.457 10 5 CGBERN CCCNc1ccc([N+](=O)[O-])cc1COC(C)C ZINC000050831851 520171243 /nfs/dbraw/zinc/17/12/43/520171243.db2.gz JFYDMNMWUGJHEW-UHFFFAOYSA-N 0 0 252.314 3.342 10 5 CGBERN C[C@@H]1CCC[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])[C@@H]1C ZINC000050454882 524412201 /nfs/dbraw/zinc/41/22/01/524412201.db2.gz WLVUUVYQLBWOES-HLTSFMKQSA-N 0 0 284.747 3.275 10 5 CGBERN Cc1ccc([C@H](C)Nc2ncnc(Cl)c2[N+](=O)[O-])o1 ZINC000050455446 525949891 /nfs/dbraw/zinc/94/98/91/525949891.db2.gz KOFVKRRYTSKNLQ-ZETCQYMHSA-N 0 0 282.687 3.113 10 5 CGBERN Nc1ccc(CSc2ccccc2O)cc1[N+](=O)[O-] ZINC000050839654 527483971 /nfs/dbraw/zinc/48/39/71/527483971.db2.gz PLPUTYZPZQTQKF-UHFFFAOYSA-N 0 0 276.317 3.175 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000588436235 799693820 /nfs/dbraw/zinc/69/38/20/799693820.db2.gz VVOFRHZAAVYPAR-QBFSEMIESA-N 0 0 296.326 3.315 10 5 CGBERN Cc1cc(C)n(CCCNc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000127217124 187290316 /nfs/dbraw/zinc/29/03/16/187290316.db2.gz UWKWSBUPDOZYOB-UHFFFAOYSA-N 0 0 292.314 3.049 10 5 CGBERN Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000034219929 344938340 /nfs/dbraw/zinc/93/83/40/344938340.db2.gz ZMNKBEFBMDEOKB-UHFFFAOYSA-N 0 0 271.301 3.454 10 5 CGBERN Cc1c(NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000034398176 344938925 /nfs/dbraw/zinc/93/89/25/344938925.db2.gz JEFLGMHMBRFWIE-UHFFFAOYSA-N 0 0 252.270 3.250 10 5 CGBERN Cc1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000080649619 345681270 /nfs/dbraw/zinc/68/12/70/345681270.db2.gz YGOSKANHFYHUHB-STQMWFEESA-N 0 0 258.321 3.306 10 5 CGBERN COc1ccc(F)cc1[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000219069035 346294201 /nfs/dbraw/zinc/29/42/01/346294201.db2.gz YRTNJWURZFZAPJ-VIFPVBQESA-N 0 0 292.266 3.278 10 5 CGBERN O=C1NCc2c1c1c3ccccc3[nH]c1c1ccncc21 ZINC000216637043 346290395 /nfs/dbraw/zinc/29/03/95/346290395.db2.gz FNTRSAVIHOVZMT-UHFFFAOYSA-N 0 0 273.295 3.113 10 5 CGBERN O=C(NCc1ccccc1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000232303449 346325348 /nfs/dbraw/zinc/32/53/48/346325348.db2.gz GWHGLDASWIMKAZ-UHFFFAOYSA-N 0 0 289.266 3.056 10 5 CGBERN CSc1cc(Br)c([N+](=O)[O-])cc1F ZINC000306353259 346453073 /nfs/dbraw/zinc/45/30/73/346453073.db2.gz GEJAHIYGQJTVOW-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN CNc1cc(Cl)c(Br)cc1[N+](=O)[O-] ZINC000306455490 346454119 /nfs/dbraw/zinc/45/41/19/346454119.db2.gz OWNSNCDJSNBHRK-UHFFFAOYSA-N 0 0 265.494 3.052 10 5 CGBERN O=[N+]([O-])c1cc(F)c(Br)cc1Cl ZINC000306817240 346458095 /nfs/dbraw/zinc/45/80/95/346458095.db2.gz DRBJWVGTGTXUNC-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN O=[N+]([O-])c1cc(F)c(Br)cc1C(F)F ZINC000307329627 346461691 /nfs/dbraw/zinc/46/16/91/346461691.db2.gz MDQOYNZHOJVTMA-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN C[C@H](Nc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1Cl ZINC000312441954 346476730 /nfs/dbraw/zinc/47/67/30/346476730.db2.gz CFPVXTYBNTYFRT-QMMMGPOBSA-N 0 0 292.726 3.399 10 5 CGBERN Cc1c(Cl)c([N+](=O)[O-])ccc1OC(F)(F)F ZINC000396153446 346580193 /nfs/dbraw/zinc/58/01/93/346580193.db2.gz FEXDTNRPECVBHR-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN CC[C@@H](C)OCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155195369 188189640 /nfs/dbraw/zinc/18/96/40/188189640.db2.gz GIRHUXHTUSQMKI-VXGBXAGGSA-N 0 0 295.335 3.323 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3F)nc2c1 ZINC000105797198 138353027 /nfs/dbraw/zinc/35/30/27/138353027.db2.gz CKANFKCNPXZDBL-UHFFFAOYSA-N 0 0 286.266 3.222 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301468797 201019543 /nfs/dbraw/zinc/01/95/43/201019543.db2.gz ZNERRJADZVRZJR-DGCLKSJQSA-N 0 0 262.309 3.398 10 5 CGBERN CCC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCC1 ZINC000301982130 201287258 /nfs/dbraw/zinc/28/72/58/201287258.db2.gz AEQANJXQSJSJSS-UHFFFAOYSA-N 0 0 264.325 3.079 10 5 CGBERN CS[C@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302023762 201305200 /nfs/dbraw/zinc/30/52/00/201305200.db2.gz GTOVXMDDODIXCN-RYUDHWBXSA-N 0 0 296.392 3.173 10 5 CGBERN C[C@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302051785 201319921 /nfs/dbraw/zinc/31/99/21/201319921.db2.gz OZTOGEBVXVAYOB-UMSPYCQHSA-N 0 0 264.325 3.078 10 5 CGBERN Cn1c(/C=C/c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000011183230 368589129 /nfs/dbraw/zinc/58/91/29/368589129.db2.gz SJPPVGKVERANLW-QPJJXVBHSA-N 0 0 263.684 3.152 10 5 CGBERN COc1cc(O)c2c(c1)[nH]c1c(Cl)cccc1c2=O ZINC000027556469 368872678 /nfs/dbraw/zinc/87/26/78/368872678.db2.gz RTGNEXLOHCQMLA-UHFFFAOYSA-N 0 0 275.691 3.049 10 5 CGBERN Cc1ccc(NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000071780963 369811533 /nfs/dbraw/zinc/81/15/33/369811533.db2.gz OYZZRHITGOKJDR-UHFFFAOYSA-N 0 0 252.270 3.250 10 5 CGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C[C@@H]1C=CCC1 ZINC000103376985 370325253 /nfs/dbraw/zinc/32/52/53/370325253.db2.gz CWKUJOSBQMOBQH-VXGBXAGGSA-N 0 0 286.331 3.229 10 5 CGBERN CC(C)COCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000132311034 371164992 /nfs/dbraw/zinc/16/49/92/371164992.db2.gz IMXYKMQMXUFOQW-UHFFFAOYSA-N 0 0 289.335 3.228 10 5 CGBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)o1 ZINC000161507071 372331075 /nfs/dbraw/zinc/33/10/75/372331075.db2.gz ZQVDGDUDIGSYOM-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN Cc1cc(Oc2ccc3c(c2)CCC3=O)ncc1[N+](=O)[O-] ZINC000302513292 373885908 /nfs/dbraw/zinc/88/59/08/373885908.db2.gz GRBBPUZXNIOLJJ-UHFFFAOYSA-N 0 0 284.271 3.219 10 5 CGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000182130240 374223052 /nfs/dbraw/zinc/22/30/52/374223052.db2.gz MAVYZFYNGBASNW-VIFPVBQESA-N 0 0 286.784 3.186 10 5 CGBERN COc1c(OC(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575665842 377943010 /nfs/dbraw/zinc/94/30/10/377943010.db2.gz GOIOMQJYJWKQOU-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN Cc1cc(OC(F)(F)F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575666193 377943470 /nfs/dbraw/zinc/94/34/70/377943470.db2.gz HEYFAURZPNPFEA-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN COc1ccc(OC(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575667238 377945004 /nfs/dbraw/zinc/94/50/04/377945004.db2.gz OTPBEHMLJGWKJS-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN Cc1cc(OC(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575668302 377945119 /nfs/dbraw/zinc/94/51/19/377945119.db2.gz UOEPQKZZTSDXQZ-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN O=Cc1c(OC(F)(F)F)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575672324 377948326 /nfs/dbraw/zinc/94/83/26/377948326.db2.gz YQFNTWAFEGERJW-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN O=[N+]([O-])c1ncc(C(F)(F)F)cc1C(F)(F)F ZINC000575397645 377904995 /nfs/dbraw/zinc/90/49/95/377904995.db2.gz ZENCGYFVAKZZJF-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN CCOc1cc(C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000575697942 377970428 /nfs/dbraw/zinc/97/04/28/377970428.db2.gz TTZUCEOXVCWUQC-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CC(C)(C)OC(=O)n1nc(Cl)c2c1cccc2[N+](=O)[O-] ZINC000089195757 392227130 /nfs/dbraw/zinc/22/71/30/392227130.db2.gz ZQFOFNFBKLSNIZ-UHFFFAOYSA-N 0 0 297.698 3.381 10 5 CGBERN Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091978899 165280595 /nfs/dbraw/zinc/28/05/95/165280595.db2.gz TWCCMBNCWHRKII-GOEBONIOSA-N 0 0 290.363 3.047 10 5 CGBERN COc1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000003104044 169856475 /nfs/dbraw/zinc/85/64/75/169856475.db2.gz XGLAVQOANJNIDZ-BJMVGYQFSA-N 0 0 299.282 3.222 10 5 CGBERN Cc1c(NC(=O)C(Cl)(Cl)Cl)cccc1[N+](=O)[O-] ZINC000005678434 170127458 /nfs/dbraw/zinc/12/74/58/170127458.db2.gz IABZNSLEYHDMDD-UHFFFAOYSA-N 0 0 297.525 3.212 10 5 CGBERN CC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000006393885 170197716 /nfs/dbraw/zinc/19/77/16/170197716.db2.gz COWMPENFAMLPMP-SECBINFHSA-N 0 0 298.289 3.278 10 5 CGBERN Cc1cccc2c(=O)oc(-c3cccc([N+](=O)[O-])c3C)nc12 ZINC000006524903 170209718 /nfs/dbraw/zinc/20/97/18/170209718.db2.gz ADIPJGMMOXCZHX-UHFFFAOYSA-N 0 0 296.282 3.380 10 5 CGBERN CCN(CC)C(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000007558916 170290619 /nfs/dbraw/zinc/29/06/19/170290619.db2.gz PTTWXTYPWBQSFS-UHFFFAOYSA-N 0 0 287.772 3.287 10 5 CGBERN CN(Cc1cccc(F)c1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000007984847 170311743 /nfs/dbraw/zinc/31/17/43/170311743.db2.gz NWDIQCJGSSJBEQ-UHFFFAOYSA-N 0 0 288.278 3.183 10 5 CGBERN Cc1ccc(CN(C)c2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000007985049 170311798 /nfs/dbraw/zinc/31/17/98/170311798.db2.gz QWUVIXOMHKTUBO-UHFFFAOYSA-N 0 0 284.315 3.352 10 5 CGBERN O=[N+]([O-])c1ccc(CNCc2nc3ccccc3s2)cc1 ZINC000020136368 171023615 /nfs/dbraw/zinc/02/36/15/171023615.db2.gz REOMJCMOFSGXOT-UHFFFAOYSA-N 0 0 299.355 3.494 10 5 CGBERN CN(c1ccc(C=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000020298764 171138309 /nfs/dbraw/zinc/13/83/09/171138309.db2.gz PBUPBUVFVJUPPH-UHFFFAOYSA-N 0 0 262.309 3.176 10 5 CGBERN O=[N+]([O-])c1ccc2nc(-c3ccc(O)cc3)oc2c1 ZINC000021023046 171290975 /nfs/dbraw/zinc/29/09/75/171290975.db2.gz MATVXEIXBLFCJZ-UHFFFAOYSA-N 0 0 256.217 3.109 10 5 CGBERN COc1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000021502315 171306023 /nfs/dbraw/zinc/30/60/23/171306023.db2.gz COTARGPUOLECPX-UHFFFAOYSA-N 0 0 272.304 3.258 10 5 CGBERN CC(C)CSCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035183321 172036601 /nfs/dbraw/zinc/03/66/01/172036601.db2.gz BSVZIVPGSLRPJH-UHFFFAOYSA-N 0 0 253.323 3.167 10 5 CGBERN O=[N+]([O-])c1ccc(Sc2cncc(Cl)n2)cc1 ZINC000035286619 172104726 /nfs/dbraw/zinc/10/47/26/172104726.db2.gz SILAAAPNFGVORT-UHFFFAOYSA-N 0 0 267.697 3.189 10 5 CGBERN Cc1ccc(N[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000035693801 172362120 /nfs/dbraw/zinc/36/21/20/172362120.db2.gz FXENCCVBMPKGPL-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000035694275 172362798 /nfs/dbraw/zinc/36/27/98/172362798.db2.gz POSIRQQNTGHELJ-QMMMGPOBSA-N 0 0 278.699 3.211 10 5 CGBERN C[C@@H](Nc1ncnc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000040571283 174338418 /nfs/dbraw/zinc/33/84/18/174338418.db2.gz QKRNWHYVHNRYBF-MRVPVSSYSA-N 0 0 278.699 3.211 10 5 CGBERN CCNc1ncnc(Oc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040596617 174349322 /nfs/dbraw/zinc/34/93/22/174349322.db2.gz BUNCYONMNVEACB-UHFFFAOYSA-N 0 0 288.307 3.171 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2cccc3n[nH]cc32)c(F)c1 ZINC000076922239 177132977 /nfs/dbraw/zinc/13/29/77/177132977.db2.gz BHFLTTIETPPQOI-UHFFFAOYSA-N 0 0 273.223 3.403 10 5 CGBERN Cc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377340 270045761 /nfs/dbraw/zinc/04/57/61/270045761.db2.gz ZIXVVUASIAZQER-LBPRGKRZSA-N 0 0 296.326 3.495 10 5 CGBERN Nc1cc(C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008417884 279695814 /nfs/dbraw/zinc/69/58/14/279695814.db2.gz XCCONFFFCYGZJB-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN CCC[C@]1(C)CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302060433 278974116 /nfs/dbraw/zinc/97/41/16/278974116.db2.gz RVGUQWRRPWRHBM-MRXNPFEDSA-N 0 0 292.379 3.494 10 5 CGBERN Cc1c2ncn(C(=O)OC(C)(C)C)c2ccc1[N+](=O)[O-] ZINC000034761470 280275249 /nfs/dbraw/zinc/27/52/49/280275249.db2.gz MIVCUTGXNWQPFG-UHFFFAOYSA-N 0 0 277.280 3.036 10 5 CGBERN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000020020420 327881779 /nfs/dbraw/zinc/88/17/79/327881779.db2.gz CHQDLZZATPJAMG-MRVPVSSYSA-N 0 0 294.694 3.332 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ccc([O-])c(Cl)c2)cn1 ZINC000536952284 330382498 /nfs/dbraw/zinc/38/24/98/330382498.db2.gz CIOBGLCUJLVQSI-UHFFFAOYSA-N 0 0 250.641 3.016 10 5 CGBERN Cc1c(C[C@@H](C(C)C)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000061688694 525737919 /nfs/dbraw/zinc/73/79/19/525737919.db2.gz CYVADNROXWOEOS-AAEUAGOBSA-N 0 0 251.326 3.099 10 5 CGBERN Cc1nc(C)c(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000054648026 526703993 /nfs/dbraw/zinc/70/39/93/526703993.db2.gz XKHBOOZVKAOMGI-UHFFFAOYSA-N 0 0 291.332 3.229 10 5 CGBERN Nc1ccccc1Oc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053165579 527528923 /nfs/dbraw/zinc/52/89/23/527528923.db2.gz VSDXLJDMIXZSCU-UHFFFAOYSA-N 0 0 266.203 3.248 10 5 CGBERN CC(C)(C)[C@@H](O)CSc1cccc([N+](=O)[O-])c1 ZINC000313487389 535065939 /nfs/dbraw/zinc/06/59/39/535065939.db2.gz YRZUPCJUIJIOBR-NSHDSACASA-N 0 0 255.339 3.094 10 5 CGBERN COC1CC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228862818 623082631 /nfs/dbraw/zinc/08/26/31/623082631.db2.gz AAPXHHZSDAKSIM-UHFFFAOYSA-N 0 0 291.134 3.491 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccn1 ZINC000588444225 799695099 /nfs/dbraw/zinc/69/50/99/799695099.db2.gz YNXLEOPOEKILSR-KHPPLWFESA-N 0 0 283.287 3.032 10 5 CGBERN COC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1C)c1ccncc1 ZINC000588450058 799696079 /nfs/dbraw/zinc/69/60/79/799696079.db2.gz JUWYKQCEAPKGIV-GDNBJRDFSA-N 0 0 298.298 3.012 10 5 CGBERN Cc1ccccc1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000038125876 344954921 /nfs/dbraw/zinc/95/49/21/344954921.db2.gz TXRPTRHJMVEMSJ-UHFFFAOYSA-N 0 0 255.273 3.329 10 5 CGBERN COC(=O)c1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000140458661 346104767 /nfs/dbraw/zinc/10/47/67/346104767.db2.gz GHRBWSASQPRFJG-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN CN(C)C(=S)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000142320440 346110637 /nfs/dbraw/zinc/11/06/37/346110637.db2.gz LGLZFHKCTJYNCK-UHFFFAOYSA-N 0 0 295.147 3.127 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(Cl)c1Br ZINC000307272557 346461389 /nfs/dbraw/zinc/46/13/89/346461389.db2.gz FTYASFCQBLWEDK-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN C=COc1ccc(Br)c(C)c1[N+](=O)[O-] ZINC000307546661 346463664 /nfs/dbraw/zinc/46/36/64/346463664.db2.gz BNNWSWPSZXUTLD-UHFFFAOYSA-N 0 0 258.071 3.188 10 5 CGBERN Cc1cnc([C@H](C)Nc2c(Cl)cncc2[N+](=O)[O-])o1 ZINC000311513566 346473647 /nfs/dbraw/zinc/47/36/47/346473647.db2.gz CQZFXMHELRZWGX-ZETCQYMHSA-N 0 0 282.687 3.113 10 5 CGBERN CC(C)(C)[C@@H](O)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000324334761 346491328 /nfs/dbraw/zinc/49/13/28/346491328.db2.gz LBPDADBFZALZIT-NSHDSACASA-N 0 0 288.294 3.351 10 5 CGBERN Cc1cccc2c(=O)c3ccc([N+](=O)[O-])c(C)c3[nH]c12 ZINC000584640783 346702697 /nfs/dbraw/zinc/70/26/97/346702697.db2.gz XOQWENSCGZQEOY-UHFFFAOYSA-N 0 0 268.272 3.206 10 5 CGBERN CCn1ccnc1COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000195517045 138490455 /nfs/dbraw/zinc/49/04/55/138490455.db2.gz AGJFSBYMEYYBEY-UHFFFAOYSA-N 0 0 281.699 3.044 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000301784110 201196467 /nfs/dbraw/zinc/19/64/67/201196467.db2.gz OPUFJAJKSQYPTK-CHWSQXEVSA-N 0 0 292.335 3.167 10 5 CGBERN CCOc1cc(N[C@H]2C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000226570530 189776392 /nfs/dbraw/zinc/77/63/92/189776392.db2.gz VBLWXEAPIKXTCR-ONGXEEELSA-N 0 0 250.298 3.204 10 5 CGBERN Cc1ccc(F)cc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000087493420 370027409 /nfs/dbraw/zinc/02/74/09/370027409.db2.gz OEIQRGCVDOEAAZ-UHFFFAOYSA-N 0 0 259.236 3.273 10 5 CGBERN Cc1ccc([C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])o1 ZINC000090692103 370063634 /nfs/dbraw/zinc/06/36/34/370063634.db2.gz KPJWSGNZOQRKGR-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN COc1ccc2oc([N+](=O)[O-])cc2c1Br ZINC000098177709 370267613 /nfs/dbraw/zinc/26/76/13/370267613.db2.gz PFBYESRVXMNOLH-UHFFFAOYSA-N 0 0 272.054 3.112 10 5 CGBERN CC(C)CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376646 370325518 /nfs/dbraw/zinc/32/55/18/370325518.db2.gz DDJNDWFCQDSZAU-LLVKDONJSA-N 0 0 276.336 3.309 10 5 CGBERN COc1cc(N[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000174720435 373359659 /nfs/dbraw/zinc/35/96/59/373359659.db2.gz YHSFRDHJBLWGNF-SNVBAGLBSA-N 0 0 288.303 3.482 10 5 CGBERN COc1cc(SC(C)C)c(OC)cc1C[C@@H](C)[N+](=O)[O-] ZINC000261508396 190040015 /nfs/dbraw/zinc/04/00/15/190040015.db2.gz RXXBKDSFQAKEHB-SNVBAGLBSA-N 0 0 299.392 3.412 10 5 CGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccoc2C)c1 ZINC000225460349 376311095 /nfs/dbraw/zinc/31/10/95/376311095.db2.gz XUQYZOQQWFWBMX-UHFFFAOYSA-N 0 0 293.300 3.434 10 5 CGBERN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000227014911 376376725 /nfs/dbraw/zinc/37/67/25/376376725.db2.gz VJGODVIKIXNYKA-CABZTGNLSA-N 0 0 257.293 3.353 10 5 CGBERN COc1cc(OC(F)F)c(C(F)F)cc1[N+](=O)[O-] ZINC000575652283 377929602 /nfs/dbraw/zinc/92/96/02/377929602.db2.gz NLDPIBBFEXVHKR-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)F)c(F)c1C(F)(F)F ZINC000575660881 377937295 /nfs/dbraw/zinc/93/72/95/377937295.db2.gz BZQXGKKJJXKIEY-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)cc(F)c1OC(F)(F)F ZINC000575661929 377938457 /nfs/dbraw/zinc/93/84/57/377938457.db2.gz WDAZPPVHFXHSHR-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(C(F)F)c1OC(F)F ZINC000575665378 377941781 /nfs/dbraw/zinc/94/17/81/377941781.db2.gz CVQBQVYDFNUQQQ-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN COc1ccc(Br)c(Cl)c1[N+](=O)[O-] ZINC000575676679 377951617 /nfs/dbraw/zinc/95/16/17/377951617.db2.gz DPNQLMNXOFEUJV-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC(=O)c1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C ZINC000575679467 377952717 /nfs/dbraw/zinc/95/27/17/377952717.db2.gz SZLURYSCEIOEHX-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN O=[N+]([O-])c1c(OC(F)F)ccc(Cl)c1OC(F)F ZINC000575678076 377953103 /nfs/dbraw/zinc/95/31/03/377953103.db2.gz VVDTVNGJOMMZIW-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN O=Cc1cc(Br)c([N+](=O)[O-])cc1C(F)F ZINC000575684847 377960356 /nfs/dbraw/zinc/96/03/56/377960356.db2.gz HUYVHGVUDUXSOR-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=Cc1ccc([N+](=O)[O-])c(Br)c1C(F)F ZINC000575687063 377961895 /nfs/dbraw/zinc/96/18/95/377961895.db2.gz UAWZSQCMKXFBLU-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=Cc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575694578 377969355 /nfs/dbraw/zinc/96/93/55/377969355.db2.gz IOZNXHCEQXRNBM-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(C(C)=O)c1C(F)(F)F ZINC000575698748 377971346 /nfs/dbraw/zinc/97/13/46/377971346.db2.gz IDOSMGWRDNFKIP-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOC(=O)c1cc(Cl)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575701150 377974649 /nfs/dbraw/zinc/97/46/49/377974649.db2.gz TYIKOHKHXAPFJY-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1OC(F)F ZINC000575701125 377975007 /nfs/dbraw/zinc/97/50/07/377975007.db2.gz SHCUUDISCFSZMV-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN Cc1cc(C)c2cc(-c3ccc([N+](=O)[O-])cc3)c(N)nc2n1 ZINC000196142384 392975745 /nfs/dbraw/zinc/97/57/45/392975745.db2.gz GMBCOBKTQNMIEX-UHFFFAOYSA-N 0 0 294.314 3.404 10 5 CGBERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000006469097 170203157 /nfs/dbraw/zinc/20/31/57/170203157.db2.gz LKNKJHKYFVSJQQ-LOWVWBTDSA-N 0 0 276.336 3.149 10 5 CGBERN O=C(NC1CCCCCC1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000018116321 170742886 /nfs/dbraw/zinc/74/28/86/170742886.db2.gz KCWJMSRIGIIZQP-UHFFFAOYSA-N 0 0 280.299 3.187 10 5 CGBERN O=[N+]([O-])c1cc([C@H](O)c2ccccc2)ccc1Cl ZINC000021952476 171340053 /nfs/dbraw/zinc/34/00/53/171340053.db2.gz GWRLPWFJUPSPPE-CYBMUJFWSA-N 0 0 263.680 3.330 10 5 CGBERN Cc1cccc2oc3cc(=O)c4ncccc4c-3nc12 ZINC000027563998 171522817 /nfs/dbraw/zinc/52/28/17/171522817.db2.gz MSMRCJQNVPASJT-UHFFFAOYSA-N 0 0 262.268 3.149 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1N1CCc2ccccc21 ZINC000034938086 171897917 /nfs/dbraw/zinc/89/79/17/171897917.db2.gz IYTSMCZIMDWPFY-UHFFFAOYSA-N 0 0 268.272 3.102 10 5 CGBERN Cc1c(NCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000035224154 172068735 /nfs/dbraw/zinc/06/87/35/172068735.db2.gz HRGSOJNVFQVNJQ-UHFFFAOYSA-N 0 0 286.287 3.244 10 5 CGBERN Cc1cc(N[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000035693799 172362463 /nfs/dbraw/zinc/36/24/63/172362463.db2.gz JGGQPKCGHMPQEQ-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN C[C@H](Nc1ccc2scnc2c1[N+](=O)[O-])C1CC1 ZINC000035733826 172385310 /nfs/dbraw/zinc/38/53/10/172385310.db2.gz DPTHREGGGJUGIJ-ZETCQYMHSA-N 0 0 263.322 3.415 10 5 CGBERN Cc1cnc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000090692291 279020548 /nfs/dbraw/zinc/02/05/48/279020548.db2.gz XAJKFFBDTRKEAB-LBPRGKRZSA-N 0 0 285.303 3.234 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCCc2ccccc2C1 ZINC000302020442 304802269 /nfs/dbraw/zinc/80/22/69/304802269.db2.gz FBZFPEBSLBMTRQ-UHFFFAOYSA-N 0 0 298.342 3.040 10 5 CGBERN C[C@H](NCc1ccc([N+](=O)[O-])o1)c1ccsc1 ZINC000061361459 525450893 /nfs/dbraw/zinc/45/08/93/525450893.db2.gz QXYDDIKPQQUXOG-QMMMGPOBSA-N 0 0 252.295 3.100 10 5 CGBERN Nc1ccc([N+](=O)[O-])cc1COc1cccc(Cl)c1 ZINC000050831115 527503993 /nfs/dbraw/zinc/50/39/93/527503993.db2.gz MCEKAVCMFAFBMQ-UHFFFAOYSA-N 0 0 278.695 3.409 10 5 CGBERN Nc1cccc(OCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000050444888 527519157 /nfs/dbraw/zinc/51/91/57/527519157.db2.gz HYEWWKNJOSACNL-UHFFFAOYSA-N 0 0 278.695 3.409 10 5 CGBERN C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000150078051 622445341 /nfs/dbraw/zinc/44/53/41/622445341.db2.gz UIILRHYIQKRQRW-XVKPBYJWSA-N 0 0 272.251 3.122 10 5 CGBERN C[C@H](Nc1cccc(F)n1)c1ccccc1[N+](=O)[O-] ZINC000163816840 626084750 /nfs/dbraw/zinc/08/47/50/626084750.db2.gz BOOUDCXNKWHMAQ-VIFPVBQESA-N 0 0 261.256 3.302 10 5 CGBERN CCC1(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000588439952 799694672 /nfs/dbraw/zinc/69/46/72/799694672.db2.gz XDLKQKLBZOBKQO-QXMHVHEDSA-N 0 0 288.347 3.447 10 5 CGBERN Cc1cc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)ccc1F ZINC000061118622 345227139 /nfs/dbraw/zinc/22/71/39/345227139.db2.gz MBNBSHPVJSZLSK-UHFFFAOYSA-N 0 0 292.241 3.434 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1-c1ccccc1Cl ZINC000060295435 345211982 /nfs/dbraw/zinc/21/19/82/345211982.db2.gz ZEWYSFQELOYATL-UHFFFAOYSA-N 0 0 270.075 3.359 10 5 CGBERN CC(=O)c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000078371584 345604364 /nfs/dbraw/zinc/60/43/64/345604364.db2.gz LZVFQLUUUMZWGT-KBPBESRZSA-N 0 0 286.331 3.200 10 5 CGBERN COc1cc(NCCc2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000078373245 345604435 /nfs/dbraw/zinc/60/44/35/345604435.db2.gz IDGVSZNZSMFQPN-UHFFFAOYSA-N 0 0 293.348 3.023 10 5 CGBERN Cc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000158125126 232236677 /nfs/dbraw/zinc/23/66/77/232236677.db2.gz WWXRTHJMMWZFQN-RYUDHWBXSA-N 0 0 290.363 3.411 10 5 CGBERN O=[N+]([O-])c1cnc2c(F)c(F)c(F)cc2c1Cl ZINC000098061876 345910574 /nfs/dbraw/zinc/91/05/74/345910574.db2.gz MNJQQRKXVVEJHF-UHFFFAOYSA-N 0 0 262.574 3.214 10 5 CGBERN CCOC(=O)/C(C)=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000150014275 346132299 /nfs/dbraw/zinc/13/22/99/346132299.db2.gz XGRPJEXDVUBQHB-SOFGYWHQSA-N 0 0 269.684 3.215 10 5 CGBERN C/C(=C\c1ccc(C)c(Br)c1)[N+](=O)[O-] ZINC000308425204 346467178 /nfs/dbraw/zinc/46/71/78/346467178.db2.gz VSWZBSMOCKBFLG-VMPITWQZSA-N 0 0 256.099 3.395 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)F)c(F)c1Br ZINC000396040233 346578047 /nfs/dbraw/zinc/57/80/47/346578047.db2.gz LOUVZPZKTLFUKD-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN CCC(=O)Oc1ccc2c(c1)oc1ccccc1c2=O ZINC000584590637 346685458 /nfs/dbraw/zinc/68/54/58/346685458.db2.gz MXODHGHLQFVQRO-UHFFFAOYSA-N 0 0 268.268 3.262 10 5 CGBERN O=C(CSC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000584613381 346692981 /nfs/dbraw/zinc/69/29/81/346692981.db2.gz GTCBRLBNRNOMPP-UHFFFAOYSA-N 0 0 265.212 3.031 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccnc3cc[nH]c32)cc1 ZINC000089221116 179757104 /nfs/dbraw/zinc/75/71/04/179757104.db2.gz GXHARBMEBPXZES-UHFFFAOYSA-N 0 0 255.233 3.263 10 5 CGBERN COc1ccc2oc(-c3cccc([N+](=O)[O-])c3)cc(=O)c2c1 ZINC000090548249 180001824 /nfs/dbraw/zinc/00/18/24/180001824.db2.gz YQGXPWOCCDJOKN-UHFFFAOYSA-N 0 0 297.266 3.377 10 5 CGBERN CC1(CNc2ncnc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000104447487 186005846 /nfs/dbraw/zinc/00/58/46/186005846.db2.gz QARWXTHOKMWAED-UHFFFAOYSA-N 0 0 270.720 3.030 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H](OC)C2)c1 ZINC000301781507 201193313 /nfs/dbraw/zinc/19/33/13/201193313.db2.gz NPFWGALKVDMVCZ-ZJUUUORDSA-N 0 0 298.314 3.112 10 5 CGBERN CC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCCC1 ZINC000302015999 201300570 /nfs/dbraw/zinc/30/05/70/201300570.db2.gz CCXHMGAFJZUTSE-UHFFFAOYSA-N 0 0 264.325 3.079 10 5 CGBERN CC[C@@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302056966 201324981 /nfs/dbraw/zinc/32/49/81/201324981.db2.gz QSCCVWYWHCHOCW-DGCLKSJQSA-N 0 0 278.352 3.468 10 5 CGBERN CCOc1c(CC)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575657161 377933913 /nfs/dbraw/zinc/93/39/13/377933913.db2.gz XYIUOCMXYFZIKT-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1cc(OC(F)F)cc([N+](=O)[O-])c1CC ZINC000575657282 377933935 /nfs/dbraw/zinc/93/39/35/377933935.db2.gz ZQUBRLQMELNERQ-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CC(=O)c1c(OC(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575665516 377941747 /nfs/dbraw/zinc/94/17/47/377941747.db2.gz FQJOAXVXYNYMRR-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1cc([N+](=O)[O-])c(OC(F)F)cc1C(F)(F)F ZINC000575665345 377941834 /nfs/dbraw/zinc/94/18/34/377941834.db2.gz CTWYTYDICIQHRF-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CCOC(=O)Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C ZINC000575673409 377948416 /nfs/dbraw/zinc/94/84/16/377948416.db2.gz KNPIGZASAZPILH-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN O=Cc1c(Cl)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575696011 377969318 /nfs/dbraw/zinc/96/93/18/377969318.db2.gz VKUNBDJTMLDTJU-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN O=[N+]([O-])c1ccc2nc(N3C[C@@H]4CCC[C@H]4C3)ccc2c1 ZINC000301626370 285150997 /nfs/dbraw/zinc/15/09/97/285150997.db2.gz ZZQFKVQYAFTVDV-STQMWFEESA-N 0 0 283.331 3.379 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000163437364 392604639 /nfs/dbraw/zinc/60/46/39/392604639.db2.gz GTYXGUKXBFTMHD-NEPJUHHUSA-N 0 0 290.363 3.411 10 5 CGBERN CC(C)Oc1cncc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000211512814 392984946 /nfs/dbraw/zinc/98/49/46/392984946.db2.gz LQRHIYWJPQEBTA-UHFFFAOYSA-N 0 0 298.302 3.320 10 5 CGBERN CCc1nc(C)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000575601613 393201744 /nfs/dbraw/zinc/20/17/44/393201744.db2.gz KAAGREREPMRUHH-UHFFFAOYSA-N 0 0 259.265 3.048 10 5 CGBERN CC(C)N(C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000675056168 543311917 /nfs/dbraw/zinc/31/19/17/543311917.db2.gz KTGZWVRVOGJSRI-UHFFFAOYSA-N 0 0 287.157 3.198 10 5 CGBERN CC[C@H](NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090073722 165225678 /nfs/dbraw/zinc/22/56/78/165225678.db2.gz WEHQRCAAKCFAMF-LBPRGKRZSA-N 0 0 279.340 3.144 10 5 CGBERN O=C(Nc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000005483949 170104082 /nfs/dbraw/zinc/10/40/82/170104082.db2.gz VIWQQEVKNIRFKU-UHFFFAOYSA-N 0 0 257.249 3.239 10 5 CGBERN O=[N+]([O-])c1ccc2nc(-c3cccc([N+](=O)[O-])c3)oc2c1 ZINC000008189245 170323601 /nfs/dbraw/zinc/32/36/01/170323601.db2.gz JSOXOEMULZNMAA-UHFFFAOYSA-N 0 0 285.215 3.311 10 5 CGBERN C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000008489874 170337675 /nfs/dbraw/zinc/33/76/75/170337675.db2.gz DQTALSKEUXSKPI-SNVBAGLBSA-N 0 0 289.262 3.384 10 5 CGBERN CCN(CC)C(=O)Sc1ccc([N+](=O)[O-])cc1 ZINC000021990821 171346079 /nfs/dbraw/zinc/34/60/79/171346079.db2.gz VERWNCMJAPQFRV-UHFFFAOYSA-N 0 0 254.311 3.149 10 5 CGBERN C[C@H]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2N)C1 ZINC000033425727 171793237 /nfs/dbraw/zinc/79/32/37/171793237.db2.gz OFGQSZXCWOXPMT-ONGXEEELSA-N 0 0 250.298 3.135 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1OCc1cccs1 ZINC000035186697 172041219 /nfs/dbraw/zinc/04/12/19/172041219.db2.gz QUGJSTZUSPQMSU-UHFFFAOYSA-N 0 0 263.274 3.048 10 5 CGBERN O=[N+]([O-])c1cc(CNc2ccccc2)c(F)cc1F ZINC000037186179 173017482 /nfs/dbraw/zinc/01/74/82/173017482.db2.gz ZQEVQLACASGTBF-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cc(F)cc(F)c2)o1 ZINC000037214170 173034839 /nfs/dbraw/zinc/03/48/39/173034839.db2.gz SWPFWWDFQTWRDI-UHFFFAOYSA-N 0 0 254.192 3.078 10 5 CGBERN CCc1ccc(N[C@@H](C)c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000037907983 173840586 /nfs/dbraw/zinc/84/05/86/173840586.db2.gz JTWWZTNRNYDWQW-VIFPVBQESA-N 0 0 260.297 3.053 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccnc(Cl)c1 ZINC000037978864 173937225 /nfs/dbraw/zinc/93/72/25/173937225.db2.gz ARQHKIYMGYFVLX-UHFFFAOYSA-N 0 0 291.694 3.204 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2F)cc1 ZINC000038080250 174089817 /nfs/dbraw/zinc/08/98/17/174089817.db2.gz UNJCGPIGHUXURD-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN CCOc1ncnc(Oc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582806 174345495 /nfs/dbraw/zinc/34/54/95/174345495.db2.gz PKBBBVFXPTUQGI-UHFFFAOYSA-N 0 0 289.291 3.193 10 5 CGBERN O=[N+]([O-])c1ccc2oc(Cc3ccc(F)cc3)nc2c1 ZINC000040952087 174438242 /nfs/dbraw/zinc/43/82/42/174438242.db2.gz WQEQTWFVRPHUHC-UHFFFAOYSA-N 0 0 272.235 3.466 10 5 CGBERN CC[C@@H](C)[C@@H](C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000042576117 174802068 /nfs/dbraw/zinc/80/20/68/174802068.db2.gz SMRJLKAEASMNNX-HTQZYQBOSA-N 0 0 257.721 3.490 10 5 CGBERN C[C@@H]1CCC[C@@H](C)N1c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725272732 544115392 /nfs/dbraw/zinc/11/53/92/544115392.db2.gz UIXFNFJEBNWPEV-GHMZBOCLSA-N 0 0 262.309 3.175 10 5 CGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(C)C ZINC000185011680 270061514 /nfs/dbraw/zinc/06/15/14/270061514.db2.gz YOPGGWLPCXXBKL-TZMCWYRMSA-N 0 0 292.379 3.324 10 5 CGBERN COc1cc(Cl)c([N+](=O)[O-])cc1Br ZINC000409416529 277378654 /nfs/dbraw/zinc/37/86/54/277378654.db2.gz HIUOENCFCFEMTN-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN Cc1cc(Br)c([N+](=O)[O-])c2cccnc12 ZINC000098178129 280306674 /nfs/dbraw/zinc/30/66/74/280306674.db2.gz RTKCJLKFPUBREK-UHFFFAOYSA-N 0 0 267.082 3.214 10 5 CGBERN CNc1ncccc1CSc1ccccc1[N+](=O)[O-] ZINC000052756320 522711161 /nfs/dbraw/zinc/71/11/61/522711161.db2.gz OUBPJFANFLDXAG-UHFFFAOYSA-N 0 0 275.333 3.324 10 5 CGBERN O=[N+]([O-])c1cc(F)ccc1Oc1ccc(CCO)cc1 ZINC000157320609 527338772 /nfs/dbraw/zinc/33/87/72/527338772.db2.gz ZGFSIDHRHOCGGM-UHFFFAOYSA-N 0 0 277.251 3.061 10 5 CGBERN C[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000176765225 618695435 /nfs/dbraw/zinc/69/54/35/618695435.db2.gz GTDVQKXQCGODFO-LLVKDONJSA-N 0 0 277.320 3.259 10 5 CGBERN CSCCC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176943642 618767136 /nfs/dbraw/zinc/76/71/36/618767136.db2.gz LSQLBONJPUWJIA-JTQLQIEISA-N 0 0 283.349 3.261 10 5 CGBERN Cc1cnc([C@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000227555587 623022411 /nfs/dbraw/zinc/02/24/11/623022411.db2.gz ZMYTVKCKSIIESR-VIFPVBQESA-N 0 0 295.726 3.395 10 5 CGBERN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000134763395 637036938 /nfs/dbraw/zinc/03/69/38/637036938.db2.gz KCLBEBCEEZUVPC-VIFPVBQESA-N 0 0 286.784 3.186 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1cccs1 ZINC000015129764 640972383 /nfs/dbraw/zinc/97/23/83/640972383.db2.gz KBFOURLSPFJNBI-SSDOTTSWSA-N 0 0 290.304 3.366 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000021839593 344893828 /nfs/dbraw/zinc/89/38/28/344893828.db2.gz IMZZQQRHBUIIOU-NSHDSACASA-N 0 0 288.303 3.296 10 5 CGBERN COc1ccc(-c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000031752400 344928025 /nfs/dbraw/zinc/92/80/25/344928025.db2.gz ATLFGVICAJXQGW-UHFFFAOYSA-N 0 0 259.261 3.279 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000033848115 344936849 /nfs/dbraw/zinc/93/68/49/344936849.db2.gz YBUXYUGNCKDTFK-OWOJBTEDSA-N 0 0 269.256 3.494 10 5 CGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]3CCCC[C@@H]32)nc1 ZINC000078379535 345605990 /nfs/dbraw/zinc/60/59/90/345605990.db2.gz IOYHLYIJLVCNOL-YPMHNXCESA-N 0 0 261.325 3.149 10 5 CGBERN Nc1nc2ccccc2c2cc(C(F)(F)F)cnc12 ZINC000115147163 345969437 /nfs/dbraw/zinc/96/94/37/345969437.db2.gz DEIKUJNRFJEVLH-UHFFFAOYSA-N 0 0 263.222 3.384 10 5 CGBERN COc1cccc(Oc2ccccc2[N+](=O)[O-])c1OC ZINC000115910063 345973949 /nfs/dbraw/zinc/97/39/49/345973949.db2.gz CIYJIFBDZPLWIG-UHFFFAOYSA-N 0 0 275.260 3.404 10 5 CGBERN COc1cccc(OC)c1Oc1ccccc1[N+](=O)[O-] ZINC000115903677 345973960 /nfs/dbraw/zinc/97/39/60/345973960.db2.gz ODAJGHQSQWFYJQ-UHFFFAOYSA-N 0 0 275.260 3.404 10 5 CGBERN O=c1c2cc(O)ccc2oc2cnc(-c3cccnc3)cc12 ZINC000117747189 345985652 /nfs/dbraw/zinc/98/56/52/345985652.db2.gz MUSJWUDAAJTBKZ-UHFFFAOYSA-N 0 0 290.278 3.109 10 5 CGBERN O=[N+]([O-])C[C@@H]1c2ccccc2CCN1c1ccccc1 ZINC000140881222 346106774 /nfs/dbraw/zinc/10/67/74/346106774.db2.gz TVODRIXOOCQSAS-MRXNPFEDSA-N 0 0 268.316 3.067 10 5 CGBERN COc1ccc(F)cc1[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000139620593 346101206 /nfs/dbraw/zinc/10/12/06/346101206.db2.gz YRTNJWURZFZAPJ-SECBINFHSA-N 0 0 292.266 3.278 10 5 CGBERN COc1ccc(Nc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000149824120 346131532 /nfs/dbraw/zinc/13/15/32/346131532.db2.gz NDUJPLMZNDWFGT-UHFFFAOYSA-N 0 0 274.276 3.356 10 5 CGBERN NC(=O)CCCCCCCCc1ccc([N+](=O)[O-])cc1 ZINC000196357245 346275737 /nfs/dbraw/zinc/27/57/37/346275737.db2.gz UZLCSDAEVBJETO-UHFFFAOYSA-N 0 0 278.352 3.353 10 5 CGBERN O=[N+]([O-])c1c(I)cccc1C(F)F ZINC000238702676 346350354 /nfs/dbraw/zinc/35/03/54/346350354.db2.gz ANYJTJFXGQBEQJ-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN CSc1c(F)ccc(Br)c1[N+](=O)[O-] ZINC000306312479 346453169 /nfs/dbraw/zinc/45/31/69/346453169.db2.gz SKJNNYLNJULPSA-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN C/C=C\c1cc([N+](=O)[O-])ccc1I ZINC000584611060 346691773 /nfs/dbraw/zinc/69/17/73/346691773.db2.gz BQMJMJSLODFSGV-IHWYPQMZSA-N 0 0 289.072 3.233 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCCCCO ZINC000123404970 187090127 /nfs/dbraw/zinc/09/01/27/187090127.db2.gz GEXOUDGLUHBGDE-UHFFFAOYSA-N 0 0 293.241 3.155 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301469180 201018912 /nfs/dbraw/zinc/01/89/12/201018912.db2.gz HSOKQOOKJVEMRR-KWQFWETISA-N 0 0 268.288 3.343 10 5 CGBERN Cc1cc(NCC(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000301474564 201021619 /nfs/dbraw/zinc/02/16/19/201021619.db2.gz MZWCWPQLAWPDON-UHFFFAOYSA-N 0 0 250.632 3.234 10 5 CGBERN COC(=O)c1cc(N[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000301965464 201279051 /nfs/dbraw/zinc/27/90/51/201279051.db2.gz UXAGYVIJJRUJGF-VIFPVBQESA-N 0 0 280.324 3.228 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[C@@H](C)C2)c1 ZINC000302532287 201473354 /nfs/dbraw/zinc/47/33/54/201473354.db2.gz LOCRICQETOZXRA-RKDXNWHRSA-N 0 0 268.288 3.343 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000054613268 369505209 /nfs/dbraw/zinc/50/52/09/369505209.db2.gz NSHDIAGEBSXREV-VIFPVBQESA-N 0 0 261.256 3.302 10 5 CGBERN CCc1cnc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)s1 ZINC000134926336 371377346 /nfs/dbraw/zinc/37/73/46/371377346.db2.gz IWCPZESMQUATIR-VIFPVBQESA-N 0 0 292.364 3.490 10 5 CGBERN C[C@@H](Cc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cn1 ZINC000301284761 373729014 /nfs/dbraw/zinc/72/90/14/373729014.db2.gz MGHQFSNCRONAAD-JTQLQIEISA-N 0 0 275.283 3.172 10 5 CGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000231692144 376566934 /nfs/dbraw/zinc/56/69/34/376566934.db2.gz MZRHIPHVMDIWOO-KCJUWKMLSA-N 0 0 282.727 3.167 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000231662502 376562554 /nfs/dbraw/zinc/56/25/54/376562554.db2.gz BXOWMYRKPDXHDI-LDYMZIIASA-N 0 0 265.269 3.104 10 5 CGBERN COc1cc(N[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000070530235 249004996 /nfs/dbraw/zinc/00/49/96/249004996.db2.gz YMQQGQVDAVCKME-GFCCVEGCSA-N 0 0 286.287 3.149 10 5 CGBERN C/C=C/CCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000301663158 249078767 /nfs/dbraw/zinc/07/87/67/249078767.db2.gz KFHZRXMHUTVBQY-ONEGZZNKSA-N 0 0 298.726 3.413 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1CO ZINC000575379704 377891262 /nfs/dbraw/zinc/89/12/62/377891262.db2.gz KGKCXLVAXGOLEH-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CCOc1cc(OC(F)F)c(CC)c([N+](=O)[O-])c1 ZINC000575657275 377933304 /nfs/dbraw/zinc/93/33/04/377933304.db2.gz ZPIRDLUGOBHJRE-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(OC(F)F)c1CC ZINC000575657175 377933879 /nfs/dbraw/zinc/93/38/79/377933879.db2.gz YLRIAFIMPXAJOR-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1cc(C(F)F)cc([N+](=O)[O-])c1C(C)=O ZINC000575665903 377943070 /nfs/dbraw/zinc/94/30/70/377943070.db2.gz ISOXMSUBQZRJAH-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN CCc1cc(Br)c([N+](=O)[O-])cc1CC ZINC000575679686 377953843 /nfs/dbraw/zinc/95/38/43/377953843.db2.gz COXOWOPQBLRSHH-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN CC(=O)c1c(Br)c(C(F)F)ccc1[N+](=O)[O-] ZINC000575683679 377958017 /nfs/dbraw/zinc/95/80/17/377958017.db2.gz APZHQWXIDMIDOI-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F ZINC000575696250 377970302 /nfs/dbraw/zinc/97/03/02/377970302.db2.gz TVIKBBRBTIKJJD-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(Cl)cc1C(F)(F)F ZINC000575696977 377970620 /nfs/dbraw/zinc/97/06/20/377970620.db2.gz ZYJLRMIGFMPSMG-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CCOc1c(C(F)(F)F)ccc([N+](=O)[O-])c1OC ZINC000575698724 377971681 /nfs/dbraw/zinc/97/16/81/377971681.db2.gz GZXKAEYPDMFOOB-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN O=[N+]([O-])c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000031847949 285152039 /nfs/dbraw/zinc/15/20/39/285152039.db2.gz BMGZPRTWOKJKPL-UHFFFAOYSA-N 0 0 264.244 3.173 10 5 CGBERN O=[N+]([O-])c1cnc(N[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000122710457 285182058 /nfs/dbraw/zinc/18/20/58/285182058.db2.gz OXIJTYBEWPQGBH-LLVKDONJSA-N 0 0 291.694 3.189 10 5 CGBERN O=[N+]([O-])c1ccc(CN(C2CC2)C(F)(F)F)cc1 ZINC000095081560 184937384 /nfs/dbraw/zinc/93/73/84/184937384.db2.gz VWAWPOHTVBPZEX-UHFFFAOYSA-N 0 0 260.215 3.079 10 5 CGBERN C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000281753194 195366144 /nfs/dbraw/zinc/36/61/44/195366144.db2.gz FDWNVXDWEZFZLU-ZSBIGDGJSA-N 0 0 264.325 3.210 10 5 CGBERN O=[N+]([O-])c1ccc(NCCC2=CCOCC2)c(Cl)c1 ZINC000158087009 392554973 /nfs/dbraw/zinc/55/49/73/392554973.db2.gz MMYAPNMMVIKHAF-UHFFFAOYSA-N 0 0 282.727 3.397 10 5 CGBERN Cc1cccc(Nc2ccc3nonc3c2[N+](=O)[O-])c1 ZINC000005337812 170087254 /nfs/dbraw/zinc/08/72/54/170087254.db2.gz AXEXWPWFMWKLDZ-UHFFFAOYSA-N 0 0 270.248 3.183 10 5 CGBERN COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000005540823 170110918 /nfs/dbraw/zinc/11/09/18/170110918.db2.gz QYLOOHJUCPQSPA-UHFFFAOYSA-N 0 0 286.287 3.164 10 5 CGBERN CC(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005726113 170133524 /nfs/dbraw/zinc/13/35/24/170133524.db2.gz QBYLWAMZCJHHGB-UHFFFAOYSA-N 0 0 270.288 3.148 10 5 CGBERN CC(=O)Oc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000021127366 171298082 /nfs/dbraw/zinc/29/80/82/171298082.db2.gz ISEJDBNNTIHHNR-UHFFFAOYSA-N 0 0 298.254 3.328 10 5 CGBERN Cc1nn(-c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000021988227 171345798 /nfs/dbraw/zinc/34/57/98/171345798.db2.gz CRSIFRAIZXAGMW-UHFFFAOYSA-N 0 0 253.261 3.242 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1F ZINC000034938842 171898464 /nfs/dbraw/zinc/89/84/64/171898464.db2.gz FLPHYMISAPYYMH-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN O=[N+]([O-])c1ccccc1Sc1ccc(Cl)nn1 ZINC000035286853 172104949 /nfs/dbraw/zinc/10/49/49/172104949.db2.gz AMVVJSWBQNEPIS-UHFFFAOYSA-N 0 0 267.697 3.189 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1NCc1cccs1 ZINC000036667175 172647009 /nfs/dbraw/zinc/64/70/09/172647009.db2.gz GUYYATNMNWILPX-UHFFFAOYSA-N 0 0 269.713 3.317 10 5 CGBERN CC(C)[C@H](C)N(C)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000036788274 172706160 /nfs/dbraw/zinc/70/61/60/172706160.db2.gz SEYKUKXOOAHQFY-QMMMGPOBSA-N 0 0 257.721 3.124 10 5 CGBERN Cc1c(N[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000037061256 172925071 /nfs/dbraw/zinc/92/50/71/172925071.db2.gz FYZVBMGFUFDRPH-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN O=[N+]([O-])c1cc(NCc2ccncc2)ccc1Cl ZINC000037060949 172925097 /nfs/dbraw/zinc/92/50/97/172925097.db2.gz DCIDTMWUQAWDFR-UHFFFAOYSA-N 0 0 263.684 3.255 10 5 CGBERN CO[C@H]1CCCC[C@H]1Nc1cccc([N+](=O)[O-])c1C ZINC000037299529 173103928 /nfs/dbraw/zinc/10/39/28/173103928.db2.gz QUGRRHBTJFZMCA-OCCSQVGLSA-N 0 0 264.325 3.273 10 5 CGBERN CC[C@H](C)[C@@H](C)Nc1cc([N+](=O)[O-])ccc1OC ZINC000037413931 173191212 /nfs/dbraw/zinc/19/12/12/173191212.db2.gz VDCVPEOPYCEZDD-VHSXEESVSA-N 0 0 252.314 3.450 10 5 CGBERN Cc1csc(CNc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000037998826 173960457 /nfs/dbraw/zinc/96/04/57/173960457.db2.gz CDDWRCFSCNMUQY-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN O=[N+]([O-])c1cccc(Oc2ccc(CO)cc2F)c1 ZINC000038080436 174089831 /nfs/dbraw/zinc/08/98/31/174089831.db2.gz QMXVYSRUDBTBCI-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN CC1CCC(Oc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000040176594 174201758 /nfs/dbraw/zinc/20/17/58/174201758.db2.gz DLOUMZXHWDHUJE-UHFFFAOYSA-N 0 0 263.293 3.365 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H]1Cc2ccccc21 ZINC000052119650 175532976 /nfs/dbraw/zinc/53/29/76/175532976.db2.gz RHQKLUPWTWAFSM-LLVKDONJSA-N 0 0 272.279 3.486 10 5 CGBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1COc2ccccc21 ZINC000058545105 175626895 /nfs/dbraw/zinc/62/68/95/175626895.db2.gz VXJQZHPGFVTMDZ-GFCCVEGCSA-N 0 0 274.251 3.280 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Oc1cc(F)ccc1F ZINC000071167724 176049345 /nfs/dbraw/zinc/04/93/45/176049345.db2.gz HWJBFGRTJSIOOW-UHFFFAOYSA-N 0 0 287.609 3.109 10 5 CGBERN CC(C)[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022173 276026340 /nfs/dbraw/zinc/02/63/40/276026340.db2.gz FXMGNRCYLINWNV-AWEZNQCLSA-N 0 0 292.379 3.350 10 5 CGBERN CC(C)(C)OC(=O)n1ccc2cccc([N+](=O)[O-])c21 ZINC000299889566 277209260 /nfs/dbraw/zinc/20/92/60/277209260.db2.gz LBNLYTOTBFXMGJ-UHFFFAOYSA-N 0 0 262.265 3.333 10 5 CGBERN O=[N+]([O-])c1ccc(-c2n[nH]cc2C(F)(F)F)cc1 ZINC000536957564 330383491 /nfs/dbraw/zinc/38/34/91/330383491.db2.gz FKHZRLOLGXOAPV-UHFFFAOYSA-N 0 0 257.171 3.004 10 5 CGBERN C[C@H]1CC=CC[C@H]1COc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454465 526236890 /nfs/dbraw/zinc/23/68/90/526236890.db2.gz QXOOYKPSQAPFFA-IUCAKERBSA-N 0 0 283.715 3.019 10 5 CGBERN Cc1cccc(C(=O)O[C@H](C)C2CCC2)c1[N+](=O)[O-] ZINC000177271156 618812497 /nfs/dbraw/zinc/81/24/97/618812497.db2.gz USJVMDBPAREDRD-SNVBAGLBSA-N 0 0 263.293 3.249 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)c2cccn2C)cc1[N+](=O)[O-] ZINC000084807787 636765608 /nfs/dbraw/zinc/76/56/08/636765608.db2.gz ADXBSWUCMLZUJK-LLVKDONJSA-N 0 0 288.303 3.160 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(F)(F)F ZINC000588445074 799694629 /nfs/dbraw/zinc/69/46/29/799694629.db2.gz AFLRRTPNYBOPCB-VURMDHGXSA-N 0 0 289.209 3.104 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CC[C@H]1C ZINC000588440355 799694706 /nfs/dbraw/zinc/69/47/06/799694706.db2.gz WZTMSDAOWCFFKF-QVDRPMGRSA-N 0 0 288.347 3.398 10 5 CGBERN O=[N+]([O-])c1ccc(NCc2cccs2)cc1F ZINC000083391358 178396943 /nfs/dbraw/zinc/39/69/43/178396943.db2.gz MFINEZILXNCJPB-UHFFFAOYSA-N 0 0 252.270 3.408 10 5 CGBERN COc1cc(N2C[C@@H]3CC=CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000078371856 345604521 /nfs/dbraw/zinc/60/45/21/345604521.db2.gz UJKDZNUIQXDEAS-RYUDHWBXSA-N 0 0 274.320 3.006 10 5 CGBERN O=[N+]([O-])c1cnc(OCC(F)(F)F)c(C2=CCCC2)c1 ZINC000146100700 346122421 /nfs/dbraw/zinc/12/24/21/346122421.db2.gz FGOHQGSLTASWEW-UHFFFAOYSA-N 0 0 288.225 3.498 10 5 CGBERN Cc1ccc(Br)c([N+](=O)[O-])c1Br ZINC000248335821 346375106 /nfs/dbraw/zinc/37/51/06/346375106.db2.gz NRXMJEKRNNEHHM-UHFFFAOYSA-N 0 0 294.930 3.428 10 5 CGBERN CSc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000306369099 346453853 /nfs/dbraw/zinc/45/38/53/346453853.db2.gz BSLJYGDKCQWDIF-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN Cc1c([N+](=O)[O-])cc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000584605157 346690558 /nfs/dbraw/zinc/69/05/58/346690558.db2.gz AZJAYNNBSXWEEB-UHFFFAOYSA-N 0 0 286.243 3.042 10 5 CGBERN Cc1ccc2c(cnn2[C@@H](C[N+](=O)[O-])c2ccccc2)c1 ZINC000584617754 346694609 /nfs/dbraw/zinc/69/46/09/346694609.db2.gz JCFNOOHNOAXOMQ-INIZCTEOSA-N 0 0 281.315 3.211 10 5 CGBERN COc1ccc(CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000584619369 346695266 /nfs/dbraw/zinc/69/52/66/346695266.db2.gz ZUAVTOFZNKBPRU-UHFFFAOYSA-N 0 0 289.335 3.050 10 5 CGBERN O=[N+]([O-])c1cc(Br)ccc1N1C[C@H]2CCC[C@@H]21 ZINC000609964237 348359077 /nfs/dbraw/zinc/35/90/77/348359077.db2.gz NBPDRDYCQZCRDZ-SCZZXKLOSA-N 0 0 297.152 3.346 10 5 CGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2CCC[C@H]21 ZINC000408372808 138606220 /nfs/dbraw/zinc/60/62/20/138606220.db2.gz DQYQXIRCAUDRIH-MEBBXXQBSA-N 0 0 299.330 3.091 10 5 CGBERN COc1cccc(N[C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000185328709 189410052 /nfs/dbraw/zinc/41/00/52/189410052.db2.gz NDVZPENWXHKDEE-SNVBAGLBSA-N 0 0 288.303 3.482 10 5 CGBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccsc1 ZINC000301983818 201287293 /nfs/dbraw/zinc/28/72/93/201287293.db2.gz AXXCJGAEVQMKQR-SNVBAGLBSA-N 0 0 292.360 3.364 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000302069768 201331578 /nfs/dbraw/zinc/33/15/78/201331578.db2.gz VKURXKWGMIFHIX-HUUCEWRRSA-N 0 0 298.342 3.303 10 5 CGBERN Cc1nc(CN(C)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000049390786 369401142 /nfs/dbraw/zinc/40/11/42/369401142.db2.gz UBKQLRKJXIYHQJ-UHFFFAOYSA-N 0 0 281.312 3.135 10 5 CGBERN Cc1ccc(N(C)c2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000050455928 369439426 /nfs/dbraw/zinc/43/94/26/369439426.db2.gz NQBQMJHXUHUOAG-UHFFFAOYSA-N 0 0 278.699 3.115 10 5 CGBERN Cc1nc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2F)n1 ZINC000052835284 369472142 /nfs/dbraw/zinc/47/21/42/369472142.db2.gz DDBLGFACCQCFKY-UHFFFAOYSA-N 0 0 283.646 3.278 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000054150667 369495891 /nfs/dbraw/zinc/49/58/91/369495891.db2.gz SHJHXTMBZOLMNQ-VIFPVBQESA-N 0 0 292.266 3.126 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@@H]2COc3ccccc32)c(F)c1 ZINC000058544968 369569849 /nfs/dbraw/zinc/56/98/49/369569849.db2.gz GIHFHCVVMRDBLE-CYBMUJFWSA-N 0 0 274.251 3.280 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1COc2ccccc21 ZINC000070198944 369789733 /nfs/dbraw/zinc/78/97/33/369789733.db2.gz QYNLBZIMEAEHFB-LBPRGKRZSA-N 0 0 274.251 3.280 10 5 CGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1ccco1 ZINC000116043913 370546024 /nfs/dbraw/zinc/54/60/24/370546024.db2.gz OSGIFNCTUHAECT-SECBINFHSA-N 0 0 292.316 3.227 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000301209223 373692405 /nfs/dbraw/zinc/69/24/05/373692405.db2.gz VKHJNGVMMLINCS-CQSZACIVSA-N 0 0 283.331 3.286 10 5 CGBERN Cc1ccnc(N[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000301292525 373732811 /nfs/dbraw/zinc/73/28/11/373732811.db2.gz OCGVMLXDLXAAKO-ZDUSSCGKSA-N 0 0 269.304 3.398 10 5 CGBERN CC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301327811 373746699 /nfs/dbraw/zinc/74/66/99/373746699.db2.gz CCJDVIRGXYCSOD-MNOVXSKESA-N 0 0 291.351 3.074 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000301560193 373784814 /nfs/dbraw/zinc/78/48/14/373784814.db2.gz KDDMDZRIVOXSEY-UKRRQHHQSA-N 0 0 276.336 3.051 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCC[C@H](O)C1 ZINC000302829006 373978989 /nfs/dbraw/zinc/97/89/89/373978989.db2.gz OTVNLQOOWRWNEF-ONGXEEELSA-N 0 0 284.743 3.272 10 5 CGBERN CSc1cc(C)c([N+](=O)[O-])cc1Br ZINC000307004021 374141670 /nfs/dbraw/zinc/14/16/70/374141670.db2.gz DMMPUSHFJCFLNK-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000227760200 376409104 /nfs/dbraw/zinc/40/91/04/376409104.db2.gz PYZPJZQOZHFTRO-DGCLKSJQSA-N 0 0 264.325 3.273 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000227760210 376409189 /nfs/dbraw/zinc/40/91/89/376409189.db2.gz PYZPJZQOZHFTRO-WCQYABFASA-N 0 0 264.325 3.273 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(OC(F)F)c1F ZINC000575661333 377937243 /nfs/dbraw/zinc/93/72/43/377937243.db2.gz LUFILPZAKMBVPU-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(OC(F)F)c1C(F)(F)F ZINC000575661653 377938609 /nfs/dbraw/zinc/93/86/09/377938609.db2.gz RFGDFMBVCJKHRS-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=[N+]([O-])c1cnc(-c2cccc(F)c2)cc1Cl ZINC000575434255 377908908 /nfs/dbraw/zinc/90/89/08/377908908.db2.gz XUPSJRWUAHDWRD-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN O=C1c2ccccc2C[N@@+]1([O-])c1ccc(Cl)cc1 ZINC000575438590 377911221 /nfs/dbraw/zinc/91/12/21/377911221.db2.gz UVDGFKSRNWUZPE-MRXNPFEDSA-N 0 0 260.700 3.391 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(OCC)c1Br ZINC000575680348 377954821 /nfs/dbraw/zinc/95/48/21/377954821.db2.gz FAIKLGNXYXANOU-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN O=Cc1c([N+](=O)[O-])ccc(Br)c1C(F)F ZINC000575687763 377962851 /nfs/dbraw/zinc/96/28/51/377962851.db2.gz VVLZFVLCMJXNAP-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575696708 377970226 /nfs/dbraw/zinc/97/02/26/377970226.db2.gz VVVXOROVAFQEGX-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(C)=O ZINC000575699362 377971261 /nfs/dbraw/zinc/97/12/61/377971261.db2.gz UTUCSWGKCZBSPI-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(C(C)=O)cc1C(F)(F)F ZINC000575698725 377971377 /nfs/dbraw/zinc/97/13/77/377971377.db2.gz HFOSJWBDLWGAIZ-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCc1ccc([N+](=O)[O-])c(C(C)=O)c1C(F)(F)F ZINC000575703268 377976773 /nfs/dbraw/zinc/97/67/73/377976773.db2.gz LOIQOCHVCOJJRN-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN O=[N+]([O-])c1ccc(-c2cnccc2Br)cc1 ZINC000040435060 285104357 /nfs/dbraw/zinc/10/43/57/285104357.db2.gz WULLARBEVOFIBH-UHFFFAOYSA-N 0 0 279.093 3.419 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCS[C@@H](C)C1 ZINC000302702078 392619136 /nfs/dbraw/zinc/61/91/36/392619136.db2.gz VEFXWRDEAMXTMQ-VIFPVBQESA-N 0 0 286.784 3.498 10 5 CGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1C ZINC000181127169 392721903 /nfs/dbraw/zinc/72/19/03/392721903.db2.gz SFZHJSGVQYVNGU-CABZTGNLSA-N 0 0 294.376 3.234 10 5 CGBERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005062729 170062755 /nfs/dbraw/zinc/06/27/55/170062755.db2.gz YYBPIMKCVYDOIW-RIONUONSSA-N 0 0 288.347 3.303 10 5 CGBERN COc1cccc(Nc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000005128673 170069250 /nfs/dbraw/zinc/06/92/50/170069250.db2.gz LKGMDOAIXPNJAM-UHFFFAOYSA-N 0 0 279.683 3.395 10 5 CGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)n1cnc2ccccc21 ZINC000005324202 170085828 /nfs/dbraw/zinc/08/58/28/170085828.db2.gz GUFNTVFSLLEGOZ-JXMROGBWSA-N 0 0 293.282 3.298 10 5 CGBERN Cc1ccc(-c2cn3ccsc3n2)cc1[N+](=O)[O-] ZINC000005641776 170123682 /nfs/dbraw/zinc/12/36/82/170123682.db2.gz LZACBKUKKPVHNQ-UHFFFAOYSA-N 0 0 259.290 3.279 10 5 CGBERN COc1cccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC000035632147 172314268 /nfs/dbraw/zinc/31/42/68/172314268.db2.gz QFECDWOQKPMYFE-SNVBAGLBSA-N 0 0 289.287 3.449 10 5 CGBERN Cc1ccccc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571313 174338629 /nfs/dbraw/zinc/33/86/29/174338629.db2.gz LQQDYEVDGBLPQG-UHFFFAOYSA-N 0 0 264.672 3.090 10 5 CGBERN CCOc1ncnc(Nc2ccccc2CC)c1[N+](=O)[O-] ZINC000040587133 174345556 /nfs/dbraw/zinc/34/55/56/174345556.db2.gz AVMYZIRNUHKERU-UHFFFAOYSA-N 0 0 288.307 3.090 10 5 CGBERN O=[N+]([O-])c1ccccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052120784 175532797 /nfs/dbraw/zinc/53/27/97/175532797.db2.gz OAKVAZHBNWULLZ-UHFFFAOYSA-N 0 0 291.238 3.254 10 5 CGBERN CC(C)COC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302815279 277423422 /nfs/dbraw/zinc/42/34/22/277423422.db2.gz KRYCOMYFXRXHLN-UHFFFAOYSA-N 0 0 296.342 3.375 10 5 CGBERN Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000032265731 281149093 /nfs/dbraw/zinc/14/90/93/281149093.db2.gz SDGDKTJDVJBHFI-UHFFFAOYSA-N 0 0 253.261 3.218 10 5 CGBERN CC[C@@H](C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054473993 522002669 /nfs/dbraw/zinc/00/26/69/522002669.db2.gz XJDYUQXECRDUNG-SSDOTTSWSA-N 0 0 288.145 3.210 10 5 CGBERN Cc1csc(CNc2nc(Cl)ccc2[N+](=O)[O-])n1 ZINC000049540266 526363525 /nfs/dbraw/zinc/36/35/25/526363525.db2.gz KAVXKXNEODPSGN-UHFFFAOYSA-N 0 0 284.728 3.020 10 5 CGBERN Cc1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000054648028 526703498 /nfs/dbraw/zinc/70/34/98/526703498.db2.gz AKZZOHLIFQYRMJ-UHFFFAOYSA-N 0 0 291.332 3.229 10 5 CGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2ccsc2)c1 ZINC000050517470 527150677 /nfs/dbraw/zinc/15/06/77/527150677.db2.gz KCKHPOSCJAWSEC-UHFFFAOYSA-N 0 0 263.274 3.048 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Oc1ccccc1Cl ZINC000050454532 527320064 /nfs/dbraw/zinc/32/00/64/527320064.db2.gz SSJVEIIYLARPBL-UHFFFAOYSA-N 0 0 286.074 3.484 10 5 CGBERN O=[N+]([O-])c1ccccc1C[C@@H](O)c1ccccc1F ZINC000062138440 527402009 /nfs/dbraw/zinc/40/20/09/527402009.db2.gz IHBSHPLAUKEJJH-CQSZACIVSA-N 0 0 261.252 3.010 10 5 CGBERN C[C@H](O)c1cccc(OCc2ccccc2[N+](=O)[O-])c1 ZINC000035627771 618996316 /nfs/dbraw/zinc/99/63/16/618996316.db2.gz OLEGTPNHGNDGQR-NSHDSACASA-N 0 0 273.288 3.227 10 5 CGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000049146454 619703607 /nfs/dbraw/zinc/70/36/07/619703607.db2.gz LDXWNQGJSWYKPQ-SNVBAGLBSA-N 0 0 267.285 3.350 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCC(F)(F)F ZINC000101706982 634240844 /nfs/dbraw/zinc/24/08/44/634240844.db2.gz CYKFEBXYGHNNKU-UHFFFAOYSA-N 0 0 277.198 3.012 10 5 CGBERN O=[N+]([O-])c1ccc(C=C(Br)Br)o1 ZINC000034132802 344937542 /nfs/dbraw/zinc/93/75/42/344937542.db2.gz MEDZNSNVBORMMM-UHFFFAOYSA-N 0 0 296.902 3.276 10 5 CGBERN COC(=O)c1ccc2ccc3ccccc3c(=O)c2c1 ZINC000038526293 344955794 /nfs/dbraw/zinc/95/57/94/344955794.db2.gz MNXVCCLLPOGZGL-UHFFFAOYSA-N 0 0 264.280 3.140 10 5 CGBERN Cc1cc(N(C)C2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000080669341 345682219 /nfs/dbraw/zinc/68/22/19/345682219.db2.gz JSUAFHQARUUIJY-UHFFFAOYSA-N 0 0 284.743 3.172 10 5 CGBERN COC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 ZINC000141577058 346108720 /nfs/dbraw/zinc/10/87/20/346108720.db2.gz RMQUMATZQHPMBA-UHFFFAOYSA-N 0 0 296.322 3.279 10 5 CGBERN Nc1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000167992490 346189942 /nfs/dbraw/zinc/18/99/42/346189942.db2.gz QSGYMBZTHZJSNB-UHFFFAOYSA-N 0 0 260.318 3.469 10 5 CGBERN Nc1ncc(-c2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000584881631 346720490 /nfs/dbraw/zinc/72/04/90/346720490.db2.gz YEOMZKIYUCSMJK-UHFFFAOYSA-N 0 0 283.209 3.258 10 5 CGBERN CC[C@H](C)OCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155195464 188189993 /nfs/dbraw/zinc/18/99/93/188189993.db2.gz GIRHUXHTUSQMKI-NWDGAFQWSA-N 0 0 295.335 3.323 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000176941985 189015730 /nfs/dbraw/zinc/01/57/30/189015730.db2.gz UENVPAGMROMPCY-DGCLKSJQSA-N 0 0 293.319 3.077 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCC[C@H](C2CC2)C1 ZINC000302019958 201303442 /nfs/dbraw/zinc/30/34/42/201303442.db2.gz DQJAEQAQDYGVFB-KBPBESRZSA-N 0 0 290.363 3.468 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302035047 201310417 /nfs/dbraw/zinc/31/04/17/201310417.db2.gz LOCCOIQCLPKANO-VXGBXAGGSA-N 0 0 296.392 3.173 10 5 CGBERN Cc1ccc2oc3cc(=O)c4ncccc4c-3nc2c1 ZINC000027561156 368872826 /nfs/dbraw/zinc/87/28/26/368872826.db2.gz AOVBFFBUQDDQOZ-UHFFFAOYSA-N 0 0 262.268 3.149 10 5 CGBERN O=[N+]([O-])c1ccccc1CN(C1CC1)C(F)(F)F ZINC000095079485 370170942 /nfs/dbraw/zinc/17/09/42/370170942.db2.gz JONMOFNSNNNBJD-UHFFFAOYSA-N 0 0 260.215 3.079 10 5 CGBERN CCCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377527 370324884 /nfs/dbraw/zinc/32/48/84/370324884.db2.gz YJBFGVIXZPOGQP-LLVKDONJSA-N 0 0 276.336 3.453 10 5 CGBERN Cc1occc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376968 370325492 /nfs/dbraw/zinc/32/54/92/370325492.db2.gz FKQPGGPYKWZNTD-SECBINFHSA-N 0 0 286.287 3.088 10 5 CGBERN CC(C)[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149120352 371525892 /nfs/dbraw/zinc/52/58/92/371525892.db2.gz ZKDJWRDFPXATDB-QMMMGPOBSA-N 0 0 270.716 3.023 10 5 CGBERN CSc1cc([N+](=O)[O-])c(Br)cc1F ZINC000307110416 374143362 /nfs/dbraw/zinc/14/33/62/374143362.db2.gz LNKPEXZAEYSFMA-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cc(F)c1Br ZINC000307670654 374150616 /nfs/dbraw/zinc/15/06/16/374150616.db2.gz QWXZWSZCKBJJID-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN CC(C)(C)OC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000196800229 376120682 /nfs/dbraw/zinc/12/06/82/376120682.db2.gz OTBFEHAPBNQGNI-UHFFFAOYSA-N 0 0 271.700 3.132 10 5 CGBERN Cc1cnc([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000226547697 376363320 /nfs/dbraw/zinc/36/33/20/376363320.db2.gz XAUAQIBVQOAYAD-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000230922308 376547574 /nfs/dbraw/zinc/54/75/74/376547574.db2.gz XWWCCLHLMUPUAA-JQWIXIFHSA-N 0 0 281.381 3.384 10 5 CGBERN O=[N+]([O-])c1c(OC(F)F)cc(F)cc1OC(F)(F)F ZINC000575660912 377937069 /nfs/dbraw/zinc/93/70/69/377937069.db2.gz CWWGFYAXKUTNPU-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(OC(F)(F)F)cc1F ZINC000575661118 377937411 /nfs/dbraw/zinc/93/74/11/377937411.db2.gz JLDRHKJLGGFEMF-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=[N+]([O-])c1cc(F)c(C(F)(F)F)cc1OC(F)F ZINC000575661998 377938588 /nfs/dbraw/zinc/93/85/88/377938588.db2.gz YWGBRDLTQYWRPX-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CC(=O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1OC(F)F ZINC000575666616 377944447 /nfs/dbraw/zinc/94/44/47/377944447.db2.gz JUNXFWPPEKCISW-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1cc(OC(F)(F)F)c(C(F)F)cc1[N+](=O)[O-] ZINC000575670870 377947112 /nfs/dbraw/zinc/94/71/12/377947112.db2.gz DGLHQFIFKCRASU-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN O=Cc1cc(C(F)F)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575671261 377947588 /nfs/dbraw/zinc/94/75/88/377947588.db2.gz HQCKGPGCOKYBLN-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN COc1cc(OC(F)(F)F)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575672299 377948858 /nfs/dbraw/zinc/94/88/58/377948858.db2.gz XPFNKEKPMNWHKR-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)c1cc(C)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575673794 377949472 /nfs/dbraw/zinc/94/94/72/377949472.db2.gz OKNGYRVSGXDWEQ-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cc(OC(F)F)c1OC(F)F ZINC000575674159 377949521 /nfs/dbraw/zinc/94/95/21/377949521.db2.gz DJWRJYNABIAHJI-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN C[N@@+]1([O-])CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000575418529 377906685 /nfs/dbraw/zinc/90/66/85/377906685.db2.gz RNFDUEPBVUOHRQ-ZWKOTPCHSA-N 0 0 270.352 3.142 10 5 CGBERN COc1cc(Br)cc([N+](=O)[O-])c1C(F)F ZINC000575688244 377962838 /nfs/dbraw/zinc/96/28/38/377962838.db2.gz ZVSVZMZYBIWVPE-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=Cc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000575694623 377969200 /nfs/dbraw/zinc/96/92/00/377969200.db2.gz KDBCXWZIFPFSOX-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]2CCC[C@H]21 ZINC000408372595 380007979 /nfs/dbraw/zinc/00/79/79/380007979.db2.gz AZVFUITVGDARSQ-ZUZCIYMTSA-N 0 0 299.330 3.091 10 5 CGBERN COc1ccc2c(c1)[nH]c1c2c(=O)oc2cc(OC)ccc12 ZINC000001636366 169730280 /nfs/dbraw/zinc/73/02/80/169730280.db2.gz ZBVQCKANIQUEDB-UHFFFAOYSA-N 0 0 295.294 3.445 10 5 CGBERN Cc1nc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105629652 392292590 /nfs/dbraw/zinc/29/25/90/392292590.db2.gz RTXBVTSZQMKZLA-QMMMGPOBSA-N 0 0 279.321 3.281 10 5 CGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1C ZINC000181127149 392721156 /nfs/dbraw/zinc/72/11/56/392721156.db2.gz SFZHJSGVQYVNGU-SKDRFNHKSA-N 0 0 294.376 3.234 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000078586428 165136855 /nfs/dbraw/zinc/13/68/55/165136855.db2.gz BARPFVMXAXNFQD-GHMZBOCLSA-N 0 0 281.381 3.384 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCCCC2)c1 ZINC000007556926 170290713 /nfs/dbraw/zinc/29/07/13/170290713.db2.gz UHBQPSWCIOHEFJ-UHFFFAOYSA-N 0 0 299.783 3.431 10 5 CGBERN C[C@@H](Nc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000020194290 171059897 /nfs/dbraw/zinc/05/98/97/171059897.db2.gz JWUNIXWBBWGOQF-SNVBAGLBSA-N 0 0 258.277 3.474 10 5 CGBERN COc1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000020547769 171244834 /nfs/dbraw/zinc/24/48/34/171244834.db2.gz GFXWNNRILGFHFH-UHFFFAOYSA-N 0 0 290.294 3.397 10 5 CGBERN O=[N+]([O-])c1cc([C@@H](O)c2ccccc2)ccc1Cl ZINC000021952475 171340040 /nfs/dbraw/zinc/34/00/40/171340040.db2.gz GWRLPWFJUPSPPE-ZDUSSCGKSA-N 0 0 263.680 3.330 10 5 CGBERN COc1ccc(N[C@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000035135136 172002165 /nfs/dbraw/zinc/00/21/65/172002165.db2.gz MVVKARUHFDZXBQ-SECBINFHSA-N 0 0 262.265 3.370 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1NCc1ccc2c(c1)OCO2 ZINC000035223848 172067949 /nfs/dbraw/zinc/06/79/49/172067949.db2.gz IIOXIBLNLONPGA-UHFFFAOYSA-N 0 0 286.287 3.244 10 5 CGBERN Cc1cc(C(=O)c2ccc([N+](=O)[O-])o2)c(C)s1 ZINC000035369199 172160926 /nfs/dbraw/zinc/16/09/26/172160926.db2.gz JNADXYBUOOAHRO-UHFFFAOYSA-N 0 0 251.263 3.097 10 5 CGBERN CC[C@@H](C)N(CC)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631714 172313437 /nfs/dbraw/zinc/31/34/37/172313437.db2.gz MZIABWSVJJFELP-GHMZBOCLSA-N 0 0 266.341 3.273 10 5 CGBERN CC[C@@H](C)CN(C)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631734 172313997 /nfs/dbraw/zinc/31/39/97/172313997.db2.gz GEJDZNIUJCFXFV-GHMZBOCLSA-N 0 0 266.341 3.130 10 5 CGBERN C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000035692673 172361425 /nfs/dbraw/zinc/36/14/25/172361425.db2.gz OTJUEAOQICTQAF-MRVPVSSYSA-N 0 0 278.699 3.211 10 5 CGBERN CO[C@@H]1CCCC[C@H]1Nc1cccc([N+](=O)[O-])c1C ZINC000037299533 173104272 /nfs/dbraw/zinc/10/42/72/173104272.db2.gz QUGRRHBTJFZMCA-TZMCWYRMSA-N 0 0 264.325 3.273 10 5 CGBERN C[C@H](O)c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080641 174090828 /nfs/dbraw/zinc/09/08/28/174090828.db2.gz BJEBVWIVMXKMBM-JTQLQIEISA-N 0 0 259.261 3.440 10 5 CGBERN CCCNc1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040596942 174349295 /nfs/dbraw/zinc/34/92/95/174349295.db2.gz JNFCRYRZQNFSDV-UHFFFAOYSA-N 0 0 287.323 3.259 10 5 CGBERN Cc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377534 270045770 /nfs/dbraw/zinc/04/57/70/270045770.db2.gz VHXHEUNYULWKBU-GFCCVEGCSA-N 0 0 296.326 3.495 10 5 CGBERN CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000227650241 270087300 /nfs/dbraw/zinc/08/73/00/270087300.db2.gz QJVQEGQXKXHILP-SNVBAGLBSA-N 0 0 257.721 3.490 10 5 CGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCCC[C@H]21 ZINC000248437321 287765346 /nfs/dbraw/zinc/76/53/46/287765346.db2.gz SMRUTVHPQRNWRZ-OUAUKWLOSA-N 0 0 294.376 3.307 10 5 CGBERN CC(C)OCC(C)(C)Nc1ccc([N+](=O)[O-])cc1F ZINC000396504885 288013337 /nfs/dbraw/zinc/01/33/37/288013337.db2.gz XLKLEMRKQAAVTB-UHFFFAOYSA-N 0 0 270.304 3.349 10 5 CGBERN Cc1cnc(N2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000408000961 292907905 /nfs/dbraw/zinc/90/79/05/292907905.db2.gz LDZNVGGWAKFXJI-CHWSQXEVSA-N 0 0 275.352 3.457 10 5 CGBERN C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000154004295 533992006 /nfs/dbraw/zinc/99/20/06/533992006.db2.gz COXLVMGJRJKAMG-NEPJUHHUSA-N 0 0 291.351 3.495 10 5 CGBERN CCNc1ccc(CO[C@H](C)CC)cc1[N+](=O)[O-] ZINC000050833263 520304105 /nfs/dbraw/zinc/30/41/05/520304105.db2.gz RURNWKLDKPCWJV-SNVBAGLBSA-N 0 0 252.314 3.342 10 5 CGBERN CCNc1ccc([N+](=O)[O-])cc1COC1CCC1 ZINC000050833313 520330488 /nfs/dbraw/zinc/33/04/88/520330488.db2.gz JJOGRLXGZQVGNP-UHFFFAOYSA-N 0 0 250.298 3.096 10 5 CGBERN Cc1csc(CNc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000061700849 526363564 /nfs/dbraw/zinc/36/35/64/526363564.db2.gz BEOOFEPKIAFZFT-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(NCCc2ccsc2)c1 ZINC000049184239 527336444 /nfs/dbraw/zinc/33/64/44/527336444.db2.gz YCWMXWSVMBVINA-UHFFFAOYSA-N 0 0 266.297 3.450 10 5 CGBERN CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000148490814 529213157 /nfs/dbraw/zinc/21/31/57/529213157.db2.gz JBJHESXPRGLZTR-SECBINFHSA-N 0 0 257.721 3.490 10 5 CGBERN Cc1ccc([C@H](C)OC(=O)[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000126290461 634952310 /nfs/dbraw/zinc/95/23/10/634952310.db2.gz WWNFJVZTNMUAGU-COPLHBTASA-N 0 0 293.319 3.075 10 5 CGBERN Cc1noc(C)c1CN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000102886593 634973687 /nfs/dbraw/zinc/97/36/87/634973687.db2.gz CGCDPJQRPONFQL-VIFPVBQESA-N 0 0 287.319 3.151 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)C ZINC000588445160 799695108 /nfs/dbraw/zinc/69/51/08/799695108.db2.gz NIZRZUDUMYJSLC-FLIBITNWSA-N 0 0 263.293 3.197 10 5 CGBERN COC(=O)Oc1cc([N+](=O)[O-])c(F)cc1C(C)(C)C ZINC000088259907 345758274 /nfs/dbraw/zinc/75/82/74/345758274.db2.gz IULVMPQHVHOFPZ-UHFFFAOYSA-N 0 0 271.244 3.177 10 5 CGBERN CCOC(=O)c1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000118848933 345991019 /nfs/dbraw/zinc/99/10/19/345991019.db2.gz PJWBGXXRROZLED-NSHDSACASA-N 0 0 292.335 3.150 10 5 CGBERN O=[N+]([O-])c1ccc(Br)cc1C(F)F ZINC000143783739 346115276 /nfs/dbraw/zinc/11/52/76/346115276.db2.gz URUDZZHALBNCAP-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN CSc1c(C)ccc([N+](=O)[O-])c1Br ZINC000306913521 346458893 /nfs/dbraw/zinc/45/88/93/346458893.db2.gz PJNVFHQLUXBJEJ-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN O=[N+]([O-])c1cc(Br)c(C(F)F)cc1F ZINC000307142157 346460040 /nfs/dbraw/zinc/46/00/40/346460040.db2.gz DONJVJRZKNNHSY-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(F)(F)F ZINC000514279635 346637926 /nfs/dbraw/zinc/63/79/26/346637926.db2.gz LOFRECOIHAXULY-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN Cc1c([N+](=O)[O-])cc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000584593545 346686279 /nfs/dbraw/zinc/68/62/79/346686279.db2.gz ZKOQQICRHZSRIE-UHFFFAOYSA-N 0 0 272.260 3.402 10 5 CGBERN O=[N+]([O-])c1ccc(OCC2CC2)c(OCC2CC2)c1 ZINC000584593369 346686558 /nfs/dbraw/zinc/68/65/58/346686558.db2.gz WXUCQKVGDDFTTP-UHFFFAOYSA-N 0 0 263.293 3.172 10 5 CGBERN C[C@H](NC(=O)OC(C)(C)C)c1ccc(F)c([N+](=O)[O-])c1 ZINC000584601007 346689229 /nfs/dbraw/zinc/68/92/29/346689229.db2.gz HPZCIUBUHLVWDZ-QMMMGPOBSA-N 0 0 284.287 3.320 10 5 CGBERN Cc1ccc(NCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000104446521 186005387 /nfs/dbraw/zinc/00/53/87/186005387.db2.gz DGDTXRUXYUZICK-UHFFFAOYSA-N 0 0 264.325 3.274 10 5 CGBERN Cc1ccc(Nc2ccnc(Cl)n2)cc1[N+](=O)[O-] ZINC000091364270 180142181 /nfs/dbraw/zinc/14/21/81/180142181.db2.gz KIJSIUYGLPBGGD-UHFFFAOYSA-N 0 0 264.672 3.090 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H](OC)C2)c1 ZINC000301781506 201194163 /nfs/dbraw/zinc/19/41/63/201194163.db2.gz NPFWGALKVDMVCZ-VHSXEESVSA-N 0 0 298.314 3.112 10 5 CGBERN COc1ccc2[nH]c(C(=O)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC000013470994 368654624 /nfs/dbraw/zinc/65/46/24/368654624.db2.gz HSFDWXOMTXSONT-UHFFFAOYSA-N 0 0 296.282 3.316 10 5 CGBERN Cn1nc(C(F)(F)F)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000040435055 369155444 /nfs/dbraw/zinc/15/54/44/369155444.db2.gz HMYMKPGZAHELHA-UHFFFAOYSA-N 0 0 271.198 3.014 10 5 CGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000075378153 369906370 /nfs/dbraw/zinc/90/63/70/369906370.db2.gz RSPLFUYLVCQYNW-PELKAZGASA-N 0 0 282.727 3.167 10 5 CGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116041319 370545524 /nfs/dbraw/zinc/54/55/24/370545524.db2.gz AQIXSKNIGSPQPM-CYBMUJFWSA-N 0 0 286.287 3.165 10 5 CGBERN O=[N+]([O-])c1ccccc1CNc1ccnc(Cl)c1 ZINC000129844659 371002961 /nfs/dbraw/zinc/00/29/61/371002961.db2.gz ZLUOAZPJRDHJSC-UHFFFAOYSA-N 0 0 263.684 3.255 10 5 CGBERN CC(C)(C)[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000290122476 371910082 /nfs/dbraw/zinc/91/00/82/371910082.db2.gz MJMATOHYVHZTDR-JTQLQIEISA-N 0 0 273.716 3.034 10 5 CGBERN O=C[C@H](Cc1cccc(Cl)c1)[C@H](C[N+](=O)[O-])C1CC1 ZINC000225862842 376331078 /nfs/dbraw/zinc/33/10/78/376331078.db2.gz OBCOGRWRJNYHTL-GXTWGEPZSA-N 0 0 281.739 3.001 10 5 CGBERN CSCCCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000229298728 376460015 /nfs/dbraw/zinc/46/00/15/376460015.db2.gz JZKIXPHZEVPNLB-UHFFFAOYSA-N 0 0 258.318 3.289 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000230185804 376493807 /nfs/dbraw/zinc/49/38/07/376493807.db2.gz KDSRUOQDXRQTSZ-QWRGUYRKSA-N 0 0 281.381 3.384 10 5 CGBERN COc1cc(N[C@H](C)c2ncc(C)o2)ccc1[N+](=O)[O-] ZINC000234925114 376625023 /nfs/dbraw/zinc/62/50/23/376625023.db2.gz FEWXJHRERWGRDF-SECBINFHSA-N 0 0 277.280 3.073 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc(OC(F)F)c1F ZINC000575661395 377938802 /nfs/dbraw/zinc/93/88/02/377938802.db2.gz OKKFWVSUXUGBOR-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=Cc1c(OC(F)F)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575666245 377942980 /nfs/dbraw/zinc/94/29/80/377942980.db2.gz JLZMJRUJEOZTQR-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575666433 377944279 /nfs/dbraw/zinc/94/42/79/377944279.db2.gz IRHIJVNTRVOJAI-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN O=Cc1c(OC(F)F)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575667854 377945483 /nfs/dbraw/zinc/94/54/83/377945483.db2.gz RJWFZFCEABIDTN-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=Cc1c(OC(F)(F)F)cc([N+](=O)[O-])cc1C(F)F ZINC000575671244 377947309 /nfs/dbraw/zinc/94/73/09/377947309.db2.gz GRSKPRGNPDZEBF-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(C(F)(F)F)cn1 ZINC000575397564 377904810 /nfs/dbraw/zinc/90/48/10/377904810.db2.gz KWCMROBLYZJMBZ-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN CC(=O)c1c(Br)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575687035 377961860 /nfs/dbraw/zinc/96/18/60/377961860.db2.gz SZNASOKBRSUSOQ-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575699452 377972693 /nfs/dbraw/zinc/97/26/93/377972693.db2.gz CMTRQRXGKIRWFO-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000154004170 533619085 /nfs/dbraw/zinc/61/90/85/533619085.db2.gz COXLVMGJRJKAMG-NWDGAFQWSA-N 0 0 291.351 3.495 10 5 CGBERN CCNc1cc(Cl)c(Br)cc1[N+](=O)[O-] ZINC000306557491 397678244 /nfs/dbraw/zinc/67/82/44/397678244.db2.gz JHBMPZFDJYQSIK-UHFFFAOYSA-N 0 0 279.521 3.443 10 5 CGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000077208309 165116563 /nfs/dbraw/zinc/11/65/63/165116563.db2.gz YFQWLFSHCUYESG-NOZJJQNGSA-N 0 0 284.743 3.211 10 5 CGBERN Cc1nc2ccccc2nc1CNc1cccc([N+](=O)[O-])c1 ZINC000170750181 165506192 /nfs/dbraw/zinc/50/61/92/165506192.db2.gz KJEQOCWQHOZSDT-UHFFFAOYSA-N 0 0 294.314 3.459 10 5 CGBERN CNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000031523839 171639447 /nfs/dbraw/zinc/63/94/47/171639447.db2.gz MRIKCNLQYKEJFV-UHFFFAOYSA-N 0 0 296.286 3.372 10 5 CGBERN CCc1ccc(C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000035369006 172160972 /nfs/dbraw/zinc/16/09/72/172160972.db2.gz ZEOOQXJZHOQMND-UHFFFAOYSA-N 0 0 251.263 3.043 10 5 CGBERN CCN(CC(C)C)c1ccc([C@H](C)O)cc1[N+](=O)[O-] ZINC000035631705 172313480 /nfs/dbraw/zinc/31/34/80/172313480.db2.gz XUGUTLPMNNJKSG-NSHDSACASA-N 0 0 266.341 3.130 10 5 CGBERN COc1ccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000035632371 172314943 /nfs/dbraw/zinc/31/49/43/172314943.db2.gz HGVNNOSPNXSYMG-SNVBAGLBSA-N 0 0 289.287 3.449 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(COC[C@@H]2CCCCO2)c1 ZINC000037404146 173180303 /nfs/dbraw/zinc/18/03/03/173180303.db2.gz WQLIJFMBEMZEDC-LBPRGKRZSA-N 0 0 285.727 3.334 10 5 CGBERN CCCCCCNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037976897 173933088 /nfs/dbraw/zinc/93/30/88/173933088.db2.gz SWWKOEHAMZLXLP-UHFFFAOYSA-N 0 0 268.288 3.044 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1NCc1ccc(Cl)cc1 ZINC000040571357 174338386 /nfs/dbraw/zinc/33/83/86/174338386.db2.gz KYFOFWCENWIFOP-UHFFFAOYSA-N 0 0 299.117 3.304 10 5 CGBERN CCNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040596329 174348941 /nfs/dbraw/zinc/34/89/41/174348941.db2.gz IGJSDSCOLVLNMH-UHFFFAOYSA-N 0 0 293.714 3.214 10 5 CGBERN CCOc1ncnc(Nc2cccc(C)c2C)c1[N+](=O)[O-] ZINC000040620716 174355245 /nfs/dbraw/zinc/35/52/45/174355245.db2.gz RLWHUGUKZJPQRC-UHFFFAOYSA-N 0 0 288.307 3.144 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1N(CC1CC1)CC1CC1 ZINC000070506920 264236405 /nfs/dbraw/zinc/23/64/05/264236405.db2.gz RJKSQBUEOUDXAU-UHFFFAOYSA-N 0 0 264.300 3.360 10 5 CGBERN CC(C)OCC(C)(C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000396379087 288013290 /nfs/dbraw/zinc/01/32/90/288013290.db2.gz PNHNFOLNVOVDBT-UHFFFAOYSA-N 0 0 288.294 3.489 10 5 CGBERN Cc1cc(N2CCO[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301954257 301339951 /nfs/dbraw/zinc/33/99/51/301339951.db2.gz KDLBVEJPHIFJBD-HUUCEWRRSA-N 0 0 276.336 3.051 10 5 CGBERN C[C@@H]1CC(CNc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000359930646 534148434 /nfs/dbraw/zinc/14/84/34/534148434.db2.gz FFGMBSXJICTSRA-NXEZZACHSA-N 0 0 282.315 3.349 10 5 CGBERN CNc1c(C(=O)N2CCCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000161492777 522533913 /nfs/dbraw/zinc/53/39/13/522533913.db2.gz GYYIEYKYLWPVPJ-NSHDSACASA-N 0 0 291.351 3.041 10 5 CGBERN Cc1ccc(OCc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000050831543 525445904 /nfs/dbraw/zinc/44/59/04/525445904.db2.gz KUBKKKNZLGYNOY-UHFFFAOYSA-N 0 0 258.277 3.064 10 5 CGBERN C[C@@H]1C[C@H]1NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000052288484 525497615 /nfs/dbraw/zinc/49/76/15/525497615.db2.gz JCOSELQIZTXMJZ-SVGQVSJJSA-N 0 0 289.118 3.040 10 5 CGBERN Cc1csc(Sc2ccc([N+](=O)[O-])cc2N)n1 ZINC000052841854 526398612 /nfs/dbraw/zinc/39/86/12/526398612.db2.gz AVWLOZYOAOSFJX-UHFFFAOYSA-N 0 0 267.335 3.093 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1cncs1 ZINC000054770716 527334519 /nfs/dbraw/zinc/33/45/19/527334519.db2.gz IJDXHJVJEFPJND-UHFFFAOYSA-N 0 0 269.713 3.317 10 5 CGBERN Nc1cc([N+](=O)[O-])ccc1Oc1cc(F)cc(F)c1 ZINC000054931940 527461188 /nfs/dbraw/zinc/46/11/88/527461188.db2.gz UEAUILISXQTXBM-UHFFFAOYSA-N 0 0 266.203 3.248 10 5 CGBERN Cc1cnc([C@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000230645546 623255742 /nfs/dbraw/zinc/25/57/42/623255742.db2.gz WSJLEKXNANXLCI-VIFPVBQESA-N 0 0 295.726 3.395 10 5 CGBERN CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152545720 623687350 /nfs/dbraw/zinc/68/73/50/623687350.db2.gz CRARNCHCUWOTDU-QMMMGPOBSA-N 0 0 270.716 3.023 10 5 CGBERN C[C@@H](Cc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-] ZINC000002579001 344858121 /nfs/dbraw/zinc/85/81/21/344858121.db2.gz XRXOLRXGONHHKB-ZDUSSCGKSA-N 0 0 271.316 3.473 10 5 CGBERN Cc1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C ZINC000004203745 344860171 /nfs/dbraw/zinc/86/01/71/344860171.db2.gz JMBIADRKSRAOSP-UHFFFAOYSA-N 0 0 252.270 3.250 10 5 CGBERN Cc1ccc([N+](=O)[O-])c2c(=O)c3ccccc3oc12 ZINC000034523139 344940378 /nfs/dbraw/zinc/94/03/78/344940378.db2.gz MRDRNSKRXQOONJ-UHFFFAOYSA-N 0 0 255.229 3.163 10 5 CGBERN Cc1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000215328730 346288776 /nfs/dbraw/zinc/28/87/76/346288776.db2.gz YKEDPCAFEQBWKY-UHFFFAOYSA-N 0 0 271.320 3.427 10 5 CGBERN Nc1cc(C(F)(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000247694760 346372312 /nfs/dbraw/zinc/37/23/12/346372312.db2.gz YYORWSLUFXNQDW-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN CSc1cc(C)cc([N+](=O)[O-])c1Br ZINC000307273435 346461386 /nfs/dbraw/zinc/46/13/86/346461386.db2.gz JBJMAHYTIOSJLO-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN O=Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514279373 346638129 /nfs/dbraw/zinc/63/81/29/346638129.db2.gz FQGKPCVDVZIGHO-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=C1c2cc([N+](=O)[O-])ccc2-c2cc(F)cc(F)c21 ZINC000584640971 346702832 /nfs/dbraw/zinc/70/28/32/346702832.db2.gz AATQHKPYLWMNII-UHFFFAOYSA-N 0 0 261.183 3.084 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(CSc2ccncn2)c1 ZINC000104235036 185939128 /nfs/dbraw/zinc/93/91/28/185939128.db2.gz QLEUEHXWIRDTMV-UHFFFAOYSA-N 0 0 281.724 3.331 10 5 CGBERN CC[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)C ZINC000134049888 187722833 /nfs/dbraw/zinc/72/28/33/187722833.db2.gz NBAUXRGWVMJQQY-NSHDSACASA-N 0 0 286.278 3.037 10 5 CGBERN C[C@H]1C[C@H](C)CN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302860371 291116434 /nfs/dbraw/zinc/11/64/34/291116434.db2.gz OVORJQLDBFRWHD-UWVGGRQHSA-N 0 0 252.289 3.216 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301765766 201183469 /nfs/dbraw/zinc/18/34/69/201183469.db2.gz HVGMXXYHEHSYQP-PSASIEDQSA-N 0 0 285.731 3.013 10 5 CGBERN CC[C@@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302056972 201324517 /nfs/dbraw/zinc/32/45/17/201324517.db2.gz QSCCVWYWHCHOCW-YPMHNXCESA-N 0 0 278.352 3.468 10 5 CGBERN CC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000049091705 369387294 /nfs/dbraw/zinc/38/72/94/369387294.db2.gz SKIAYCFJFOXWQD-LLVKDONJSA-N 0 0 284.743 3.413 10 5 CGBERN COc1cc(N[C@H](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000230355012 189809528 /nfs/dbraw/zinc/80/95/28/189809528.db2.gz VUIYAWBFNTXEMY-MRVPVSSYSA-N 0 0 256.277 3.199 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000231663774 189814247 /nfs/dbraw/zinc/81/42/47/189814247.db2.gz KXCBSJNCFKNNLM-ONGXEEELSA-N 0 0 250.298 3.204 10 5 CGBERN O=[N+]([O-])c1cccc(C(F)F)c1Br ZINC000088190185 370031243 /nfs/dbraw/zinc/03/12/43/370031243.db2.gz MNOYLLVCOXRPLR-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000193869334 284316549 /nfs/dbraw/zinc/31/65/49/284316549.db2.gz MYKUHUFNGBEVKJ-CQSZACIVSA-N 0 0 297.314 3.048 10 5 CGBERN O=[N+]([O-])c1ccc(NC[C@H](O)C2CCCC2)c(Cl)c1 ZINC000301281597 373726639 /nfs/dbraw/zinc/72/66/39/373726639.db2.gz KPLSISZWEVOCOQ-ZDUSSCGKSA-N 0 0 284.743 3.211 10 5 CGBERN Cc1cccc(N[C@@H](CO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000302524801 373887923 /nfs/dbraw/zinc/88/79/23/373887923.db2.gz ZNBBSKHQTSIQNM-LLVKDONJSA-N 0 0 266.341 3.112 10 5 CGBERN Cc1occc1CN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302787977 373962414 /nfs/dbraw/zinc/96/24/14/373962414.db2.gz BMSYZOHWGSHHLC-UHFFFAOYSA-N 0 0 264.256 3.272 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCC[C@H](O)C1 ZINC000302829004 373978746 /nfs/dbraw/zinc/97/87/46/373978746.db2.gz OTVNLQOOWRWNEF-KOLCDFICSA-N 0 0 284.743 3.272 10 5 CGBERN CSc1cccc(C(=O)N[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000185971316 374778028 /nfs/dbraw/zinc/77/80/28/374778028.db2.gz UVFPODIVMVMUJC-SECBINFHSA-N 0 0 282.365 3.091 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336813675 375967084 /nfs/dbraw/zinc/96/70/84/375967084.db2.gz VEHZTAUZFYVRIP-APPZFPTMSA-N 0 0 278.337 3.200 10 5 CGBERN COC(=O)c1ccc2oc3cc(C)ccc3c(=O)c2c1 ZINC000196852930 376120854 /nfs/dbraw/zinc/12/08/54/376120854.db2.gz ADNFABHEIUKMFS-UHFFFAOYSA-N 0 0 268.268 3.041 10 5 CGBERN O=C[C@@H](Cc1cccc(Cl)c1)[C@@H](C[N+](=O)[O-])C1CC1 ZINC000225862829 376331254 /nfs/dbraw/zinc/33/12/54/376331254.db2.gz OBCOGRWRJNYHTL-OCCSQVGLSA-N 0 0 281.739 3.001 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)F)cc1OC(F)(F)F ZINC000575345702 377885125 /nfs/dbraw/zinc/88/51/25/377885125.db2.gz PZHYFGZPWVQBIE-UHFFFAOYSA-N 0 0 257.114 3.431 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1OC(F)F ZINC000575661988 377938221 /nfs/dbraw/zinc/93/82/21/377938221.db2.gz YMNGLANADQRTSC-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CC(=O)c1ccc(OC(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575667301 377944996 /nfs/dbraw/zinc/94/49/96/377944996.db2.gz MBIVAILCNYZPRN-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1cc([N+](=O)[O-])c(OC(F)F)c(C(F)(F)F)c1 ZINC000575668036 377945092 /nfs/dbraw/zinc/94/50/92/377945092.db2.gz SZFYZHZVSZAOIK-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CC(=O)c1c(OC(F)F)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575667124 377945511 /nfs/dbraw/zinc/94/55/11/377945511.db2.gz KQDXGXLFOUTMTA-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN CC(=O)c1cc(OC(F)(F)F)cc(C)c1[N+](=O)[O-] ZINC000575679535 377952667 /nfs/dbraw/zinc/95/26/67/377952667.db2.gz WIZPYEZPARCLJP-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CCOC(=O)Cc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 ZINC000575396753 377903462 /nfs/dbraw/zinc/90/34/62/377903462.db2.gz CSYKXDAUGGTRNS-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN CCc1cc(C(C)=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575706582 377978340 /nfs/dbraw/zinc/97/83/40/377978340.db2.gz QYDQRCGJIYPWGI-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN COC(=O)c1c(Cl)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575713551 377982011 /nfs/dbraw/zinc/98/20/11/377982011.db2.gz XPNMULBBNXBKRY-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3cncc(Cl)c3)c2c1 ZINC000091364467 285141407 /nfs/dbraw/zinc/14/14/07/285141407.db2.gz LDWTUMFORKVPGV-UHFFFAOYSA-N 0 0 274.667 3.187 10 5 CGBERN C[C@@H]1CN(C)c2ccccc2CN1c1ccccc1[N+](=O)[O-] ZINC000301593783 392595171 /nfs/dbraw/zinc/59/51/71/392595171.db2.gz YZZXSHFNVXUENX-CYBMUJFWSA-N 0 0 297.358 3.440 10 5 CGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC=Cc2ccccc21 ZINC000003626001 134485232 /nfs/dbraw/zinc/48/52/32/134485232.db2.gz ORMSPPYYORXPLR-UHFFFAOYSA-N 0 0 280.283 3.268 10 5 CGBERN C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005867345 170148892 /nfs/dbraw/zinc/14/88/92/170148892.db2.gz REOWPQVCGYPCMY-NSHDSACASA-N 0 0 286.287 3.001 10 5 CGBERN CC[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000006397250 170197861 /nfs/dbraw/zinc/19/78/61/170197861.db2.gz COWMPENFAMLPMP-VIFPVBQESA-N 0 0 298.289 3.278 10 5 CGBERN C[C@@H]1Cc2ccccc2N1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000020368622 171167029 /nfs/dbraw/zinc/16/70/29/171167029.db2.gz JXBFAJLRXQBUKZ-LLVKDONJSA-N 0 0 282.299 3.490 10 5 CGBERN C[C@H]1CCC[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000020517220 171232619 /nfs/dbraw/zinc/23/26/19/171232619.db2.gz VFEXCEYDUISWEL-CMPLNLGQSA-N 0 0 263.293 3.365 10 5 CGBERN O=[N+]([O-])c1ccccc1Sc1cncc(Cl)n1 ZINC000035286855 172104951 /nfs/dbraw/zinc/10/49/51/172104951.db2.gz RRXVVYQLVLEUSP-UHFFFAOYSA-N 0 0 267.697 3.189 10 5 CGBERN CCCNc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000035342502 172134796 /nfs/dbraw/zinc/13/47/96/172134796.db2.gz NLYXKTJVPLPTMZ-UHFFFAOYSA-N 0 0 251.311 3.335 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ccccc1 ZINC000035587277 172287375 /nfs/dbraw/zinc/28/73/75/172287375.db2.gz QTEKZVQDUYPYJM-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN C[C@@H](O)c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000035626742 172305317 /nfs/dbraw/zinc/30/53/17/172305317.db2.gz VBFMQGYPSVMHQL-LLVKDONJSA-N 0 0 273.288 3.227 10 5 CGBERN C[C@H](O)c1ccc(N(C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000035631634 172313485 /nfs/dbraw/zinc/31/34/85/172313485.db2.gz OZGWSBAPSOWIEM-JTQLQIEISA-N 0 0 264.325 3.027 10 5 CGBERN Cc1cc(C)cc(Oc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000040571111 174338642 /nfs/dbraw/zinc/33/86/42/174338642.db2.gz YRHWRFNBOAQZQH-UHFFFAOYSA-N 0 0 279.683 3.447 10 5 CGBERN CC(C)CCNc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581846 174344813 /nfs/dbraw/zinc/34/48/13/174344813.db2.gz NUEANFIVRLTEOJ-UHFFFAOYSA-N 0 0 281.360 3.053 10 5 CGBERN CC(C)COCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000076847966 177119660 /nfs/dbraw/zinc/11/96/60/177119660.db2.gz BHVBWAZQQZTHJL-UHFFFAOYSA-N 0 0 289.335 3.228 10 5 CGBERN CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000078670043 177368914 /nfs/dbraw/zinc/36/89/14/177368914.db2.gz OFWUHUJRMFXGPC-LLVKDONJSA-N 0 0 272.732 3.067 10 5 CGBERN CC(C)(C)OC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000725273776 544115457 /nfs/dbraw/zinc/11/54/57/544115457.db2.gz CPNPZLVFTLWOQX-FNORWQNLSA-N 0 0 267.256 3.089 10 5 CGBERN COc1ccccc1-c1cc2c(cc([N+](=O)[O-])cc2O)[nH]1 ZINC000066089369 274155714 /nfs/dbraw/zinc/15/57/14/274155714.db2.gz HRLJOLOFQKBDBB-UHFFFAOYSA-N 0 0 284.271 3.457 10 5 CGBERN CC(C)c1cc2[nH]nc(Br)c2c([N+](=O)[O-])c1 ZINC000014985926 276047751 /nfs/dbraw/zinc/04/77/51/276047751.db2.gz YUTOTVVVHDKWNK-UHFFFAOYSA-N 0 0 284.113 3.357 10 5 CGBERN CC[C@@H](C)N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000058863694 276417242 /nfs/dbraw/zinc/41/72/42/276417242.db2.gz UPOHWNKWIMPAKU-SECBINFHSA-N 0 0 298.298 3.143 10 5 CGBERN COc1ccccc1-c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000091364374 277465119 /nfs/dbraw/zinc/46/51/19/277465119.db2.gz OKVIKHKWJNLOJM-UHFFFAOYSA-N 0 0 269.260 3.147 10 5 CGBERN COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000086863309 327159517 /nfs/dbraw/zinc/15/95/17/327159517.db2.gz JMZYAYRTZVQYTJ-UHFFFAOYSA-N 0 0 263.274 3.110 10 5 CGBERN O=[N+]([O-])c1cccc(-c2ncc(Cl)cc2O)c1 ZINC000536952974 330382752 /nfs/dbraw/zinc/38/27/52/330382752.db2.gz GERSKELNVZZIIE-UHFFFAOYSA-N 0 0 250.641 3.016 10 5 CGBERN CC(C)[C@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)O ZINC000061688593 519816600 /nfs/dbraw/zinc/81/66/00/519816600.db2.gz GSTFRVIODABVIM-SKDRFNHKSA-N 0 0 271.744 3.444 10 5 CGBERN CC[C@@H](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)=O ZINC000050444274 522626992 /nfs/dbraw/zinc/62/69/92/522626992.db2.gz CFRNVAAOBPEYOW-VIFPVBQESA-N 0 0 255.701 3.406 10 5 CGBERN Cc1ccc(F)cc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840370 524869827 /nfs/dbraw/zinc/86/98/27/524869827.db2.gz DSRNPQKYZBZOFT-UHFFFAOYSA-N 0 0 261.256 3.368 10 5 CGBERN C[C@H]1[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])CCC[C@@H]1C ZINC000050454888 525111279 /nfs/dbraw/zinc/11/12/79/525111279.db2.gz WLVUUVYQLBWOES-DJLDLDEBSA-N 0 0 284.747 3.275 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000103365584 525560361 /nfs/dbraw/zinc/56/03/61/525560361.db2.gz MTWDWKFUNKSGAS-RYUDHWBXSA-N 0 0 276.336 3.306 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(NC(C2CC2)C2CC2)c1 ZINC000049235853 527337408 /nfs/dbraw/zinc/33/74/08/527337408.db2.gz QOSYGYBHSRTOTA-UHFFFAOYSA-N 0 0 250.273 3.334 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(NCc2ccc[nH]2)c1 ZINC000051788722 527355660 /nfs/dbraw/zinc/35/56/60/527355660.db2.gz ANGGFXWIXKIQOW-UHFFFAOYSA-N 0 0 251.673 3.188 10 5 CGBERN CC[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000094771800 535810136 /nfs/dbraw/zinc/81/01/36/535810136.db2.gz WFPDXZLNAFHQMH-SNVBAGLBSA-N 0 0 262.313 3.318 10 5 CGBERN CCc1ccc(OC(=O)[C@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000176143928 618424267 /nfs/dbraw/zinc/42/42/67/618424267.db2.gz ZJMNFABEYXGAII-RYUDHWBXSA-N 0 0 275.304 3.109 10 5 CGBERN CC(=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000082708943 178218868 /nfs/dbraw/zinc/21/88/68/178218868.db2.gz BIQPRAWFHSNQIU-UHFFFAOYSA-N 0 0 255.273 3.393 10 5 CGBERN Cc1cc(-n2ccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000117266166 345982723 /nfs/dbraw/zinc/98/27/23/345982723.db2.gz LSVIPLJGBREAFO-UHFFFAOYSA-N 0 0 271.198 3.108 10 5 CGBERN CCC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000124975028 346014969 /nfs/dbraw/zinc/01/49/69/346014969.db2.gz RIZATAPCNMIXPN-UHFFFAOYSA-N 0 0 294.326 3.433 10 5 CGBERN COC(=O)c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000143810126 346115501 /nfs/dbraw/zinc/11/55/01/346115501.db2.gz YUXBXYOSXSBBLM-UHFFFAOYSA-N 0 0 291.234 3.313 10 5 CGBERN O=[N+]([O-])c1ccccc1-c1csc(Br)n1 ZINC000162499740 346178641 /nfs/dbraw/zinc/17/86/41/346178641.db2.gz USGFXKDLCCVRCM-UHFFFAOYSA-N 0 0 285.122 3.481 10 5 CGBERN O=[N+]([O-])c1cccc2c(NCC[C@@H]3CCCO3)ccnc21 ZINC000214730042 346288092 /nfs/dbraw/zinc/28/80/92/346288092.db2.gz ZNGAHKHLRGMNMQ-NSHDSACASA-N 0 0 287.319 3.124 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227866445 346311617 /nfs/dbraw/zinc/31/16/17/346311617.db2.gz SUMSRSAQXIQTET-TVQRCGJNSA-N 0 0 272.308 3.139 10 5 CGBERN C[C@H](Nc1ccc(N)c([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000312587029 346477794 /nfs/dbraw/zinc/47/77/94/346477794.db2.gz WNTJWTDTMNDRSB-QMMMGPOBSA-N 0 0 292.726 3.399 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc(CO)c1C(F)(F)F ZINC000514282032 346637941 /nfs/dbraw/zinc/63/79/41/346637941.db2.gz CPWLSUQLAQNFBO-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN O=[N+]([O-])c1ccc(CO)c(C(F)(F)F)c1C(F)(F)F ZINC000514282275 346638017 /nfs/dbraw/zinc/63/80/17/346638017.db2.gz NHPILHQHRBTTJA-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CC(C)(C)OC(=O)N1CC[C@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000584616696 346693684 /nfs/dbraw/zinc/69/36/84/346693684.db2.gz SYXRQMNWJNMNBW-ZDUSSCGKSA-N 0 0 292.335 3.147 10 5 CGBERN CC[C@@H](CCC(=O)c1c[nH]c2ccccc12)[N+](=O)[O-] ZINC000584617223 346694402 /nfs/dbraw/zinc/69/44/02/346694402.db2.gz DQQAIXXCYRRWIV-JTQLQIEISA-N 0 0 260.293 3.186 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CCC[C@H](O)C1 ZINC000596082122 347380599 /nfs/dbraw/zinc/38/05/99/347380599.db2.gz GQGONJONPIMFSC-UWVGGRQHSA-N 0 0 286.278 3.248 10 5 CGBERN O=C1CCC[C@H]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104307589 185961256 /nfs/dbraw/zinc/96/12/56/185961256.db2.gz FEDOXXMHFODHGC-QMMMGPOBSA-N 0 0 253.685 3.160 10 5 CGBERN C[C@H]1CC(CNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000619589768 349261231 /nfs/dbraw/zinc/26/12/31/349261231.db2.gz LNMRIRDGBYLJIA-IUCAKERBSA-N 0 0 270.354 3.272 10 5 CGBERN CCNc1ccc(CSCCCOC)cc1[N+](=O)[O-] ZINC000104449172 186005649 /nfs/dbraw/zinc/00/56/49/186005649.db2.gz HNUYQMMLPZWGSF-UHFFFAOYSA-N 0 0 284.381 3.296 10 5 CGBERN CC(C)n1ccnc1CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000123630094 187101819 /nfs/dbraw/zinc/10/18/19/187101819.db2.gz LOBDFJYASKEYMC-UHFFFAOYSA-N 0 0 278.287 3.123 10 5 CGBERN CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)C ZINC000149717004 187923434 /nfs/dbraw/zinc/92/34/34/187923434.db2.gz HPCUJFZWBWQTRI-NSHDSACASA-N 0 0 284.743 3.413 10 5 CGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000117563132 138366483 /nfs/dbraw/zinc/36/64/83/138366483.db2.gz KUPCPMRQJJFDIC-BMIGLBTASA-N 0 0 299.282 3.065 10 5 CGBERN Cc1cc(NC2CC=CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301657108 201118456 /nfs/dbraw/zinc/11/84/56/201118456.db2.gz SGDCLXMWAGAGIL-UHFFFAOYSA-N 0 0 296.330 3.491 10 5 CGBERN Cc1ccc(SC(=S)N2CCCC2)c([N+](=O)[O-])c1 ZINC000301786156 201196393 /nfs/dbraw/zinc/19/63/93/201196393.db2.gz WBXCIGCMVIICGY-UHFFFAOYSA-N 0 0 282.390 3.376 10 5 CGBERN CS[C@@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302023761 201304831 /nfs/dbraw/zinc/30/48/31/201304831.db2.gz GTOVXMDDODIXCN-NWDGAFQWSA-N 0 0 296.392 3.173 10 5 CGBERN CSC1(CNc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000228723761 189794688 /nfs/dbraw/zinc/79/46/88/189794688.db2.gz DOXWNHPFAGZWEO-UHFFFAOYSA-N 0 0 256.302 3.041 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000231663713 189814304 /nfs/dbraw/zinc/81/43/04/189814304.db2.gz GHZQAEVXVPFKKV-GMSGAONNSA-N 0 0 255.705 3.244 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1-c1ccc(F)cc1 ZINC000091659580 370075031 /nfs/dbraw/zinc/07/50/31/370075031.db2.gz UKNRYBDXVQWJAL-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN CCOc1cc(N[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000111046119 370392173 /nfs/dbraw/zinc/39/21/73/370392173.db2.gz JXRDVQUKIMXCEO-SNVBAGLBSA-N 0 0 252.314 3.450 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)c1 ZINC000156239944 371970326 /nfs/dbraw/zinc/97/03/26/371970326.db2.gz RVEOYRPLJQSYMD-UHFFFAOYSA-N 0 0 252.270 3.250 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1Oc1ccc2c(c1)CCC2=O ZINC000302547445 373892912 /nfs/dbraw/zinc/89/29/12/373892912.db2.gz PJNIOODRJIBRAB-UHFFFAOYSA-N 0 0 284.271 3.219 10 5 CGBERN CCOc1ncccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302794280 373965639 /nfs/dbraw/zinc/96/56/39/373965639.db2.gz IIZJJFWDMULENT-UHFFFAOYSA-N 0 0 291.282 3.140 10 5 CGBERN O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2nccs2)s1 ZINC000195512137 376106666 /nfs/dbraw/zinc/10/66/66/376106666.db2.gz RMFSAKXBDMKYHH-QMMMGPOBSA-N 0 0 296.377 3.239 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000227760194 376409431 /nfs/dbraw/zinc/40/94/31/376409431.db2.gz QTVJUKISHGTHMW-QWRGUYRKSA-N 0 0 268.288 3.103 10 5 CGBERN COc1ccc(Oc2cc(Cl)nc(C)n2)cc1[N+](=O)[O-] ZINC000232311222 376579317 /nfs/dbraw/zinc/57/93/17/376579317.db2.gz ZWUMQVFVYBOURX-UHFFFAOYSA-N 0 0 295.682 3.148 10 5 CGBERN Cc1cc(N[C@@H]2CCCC[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000313199797 249089048 /nfs/dbraw/zinc/08/90/48/249089048.db2.gz YKHGVVKEBRDPMH-ZYHUDNBSSA-N 0 0 282.315 3.005 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(F)cc1C(F)(F)F ZINC000575661954 377938272 /nfs/dbraw/zinc/93/82/72/377938272.db2.gz WXQMCQBLCJDASB-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(OC(F)(F)F)c1OC(F)F ZINC000575661678 377938826 /nfs/dbraw/zinc/93/88/26/377938826.db2.gz SXHZTDFKEWZVRI-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1OC(F)F ZINC000575664928 377941249 /nfs/dbraw/zinc/94/12/49/377941249.db2.gz ATXIJRZVPUPXSL-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CC(=O)c1c(OC(F)F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575667422 377944967 /nfs/dbraw/zinc/94/49/67/377944967.db2.gz QAARTNSTMZRXPM-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(C(F)F)cc1OC(F)(F)F ZINC000575671322 377947692 /nfs/dbraw/zinc/94/76/92/377947692.db2.gz IYDSRGREDWYJAR-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)cc(Cl)c1OC(F)F ZINC000575673665 377949764 /nfs/dbraw/zinc/94/97/64/377949764.db2.gz ACPFBAXVAHMGSA-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN COc1cc(Cl)c([N+](=O)[O-])c(Br)c1 ZINC000575678318 377952896 /nfs/dbraw/zinc/95/28/96/377952896.db2.gz SJRFHBOYGRZSRX-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN O=Cc1cc(Br)c(C(F)F)cc1[N+](=O)[O-] ZINC000575685065 377960215 /nfs/dbraw/zinc/96/02/15/377960215.db2.gz IQHUQYLTBIFCRF-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1cc(Br)cc(C(F)F)c1[N+](=O)[O-] ZINC000575687783 377963443 /nfs/dbraw/zinc/96/34/43/377963443.db2.gz VWBIUQMEQZRHJX-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CC(=O)c1c(Cl)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575696674 377970101 /nfs/dbraw/zinc/97/01/01/377970101.db2.gz YNVXZNYLNTWIRG-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CC(=O)c1cc(Cl)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575696924 377970469 /nfs/dbraw/zinc/97/04/69/377970469.db2.gz ZGNLYPZODPGFCM-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000575699396 377971220 /nfs/dbraw/zinc/97/12/20/377971220.db2.gz BDTMCHJQASLRSD-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(OC)c1C(F)(F)F ZINC000575699318 377971834 /nfs/dbraw/zinc/97/18/34/377971834.db2.gz TTWNNHHVAWGIPO-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCc1c([N+](=O)[O-])ccc(C(F)(F)F)c1C(C)=O ZINC000575703881 377976980 /nfs/dbraw/zinc/97/69/80/377976980.db2.gz PVUOHIGOMIXYDR-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2CCC[C@H]21 ZINC000408371950 380007420 /nfs/dbraw/zinc/00/74/20/380007420.db2.gz ACABUYVHOUQXCT-ZWNOBZJWSA-N 0 0 299.330 3.091 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 ZINC000037977846 285138112 /nfs/dbraw/zinc/13/81/12/285138112.db2.gz MJKDWWNHDPITGX-UHFFFAOYSA-N 0 0 286.074 3.484 10 5 CGBERN C[C@H]1CC(CNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000281761015 195369183 /nfs/dbraw/zinc/36/91/83/195369183.db2.gz FNTUPLKLBKBNRC-UWVGGRQHSA-N 0 0 282.315 3.349 10 5 CGBERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191851969 130318093 /nfs/dbraw/zinc/31/80/93/130318093.db2.gz ZSRYYTMNQXUTMJ-WCBMZHEXSA-N 0 0 298.726 3.002 10 5 CGBERN Cc1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000250973458 292139555 /nfs/dbraw/zinc/13/95/55/292139555.db2.gz DWUAQMWCTATVDE-XJKSGUPXSA-N 0 0 290.363 3.035 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCCC[C@H]1O ZINC000086015234 165180868 /nfs/dbraw/zinc/18/08/68/165180868.db2.gz VHVWBPDHLSZUFD-NOZJJQNGSA-N 0 0 284.743 3.211 10 5 CGBERN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000005338618 170087373 /nfs/dbraw/zinc/08/73/73/170087373.db2.gz BJDPLRWDKFBGTQ-UHFFFAOYSA-N 0 0 293.282 3.395 10 5 CGBERN O=[N+]([O-])c1ccc(-c2cncn2-c2ccccc2)cc1 ZINC000005729112 170134141 /nfs/dbraw/zinc/13/41/41/170134141.db2.gz ZSJKEZJWFBXQDZ-UHFFFAOYSA-N 0 0 265.272 3.448 10 5 CGBERN O=[N+]([O-])c1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000006188235 170181369 /nfs/dbraw/zinc/18/13/69/170181369.db2.gz JSHJKQYCUVYOGY-UHFFFAOYSA-N 0 0 284.231 3.046 10 5 CGBERN Nc1ccccc1SCc1ccccc1[N+](=O)[O-] ZINC000008435796 170336206 /nfs/dbraw/zinc/33/62/06/170336206.db2.gz DEIPCXKJWQTCOG-UHFFFAOYSA-N 0 0 260.318 3.469 10 5 CGBERN Cc1ccc2nc3c4cccnc4c(=O)cc-3oc2c1 ZINC000027617300 171524363 /nfs/dbraw/zinc/52/43/63/171524363.db2.gz SQFVGZXBAUOTRW-UHFFFAOYSA-N 0 0 262.268 3.149 10 5 CGBERN Cc1cc(C)cc(OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000035182397 172036055 /nfs/dbraw/zinc/03/60/55/172036055.db2.gz BSDAIAXKCCVCQF-UHFFFAOYSA-N 0 0 285.299 3.473 10 5 CGBERN O=C(c1cccs1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000035379434 172162158 /nfs/dbraw/zinc/16/21/58/172162158.db2.gz VPNUBUTZICCUIR-UHFFFAOYSA-N 0 0 272.285 3.369 10 5 CGBERN C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC000035692671 172361590 /nfs/dbraw/zinc/36/15/90/172361590.db2.gz OTJUEAOQICTQAF-QMMMGPOBSA-N 0 0 278.699 3.211 10 5 CGBERN CO[C@H]1CCCC[C@H]1Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037298699 173102600 /nfs/dbraw/zinc/10/26/00/173102600.db2.gz VRVDSAYQYBHEEX-OCCSQVGLSA-N 0 0 264.325 3.273 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2)c(F)c1 ZINC000038082109 174091201 /nfs/dbraw/zinc/09/12/01/174091201.db2.gz OWLADOPQHBMXGV-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN Cc1ccc([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000038097734 174112136 /nfs/dbraw/zinc/11/21/36/174112136.db2.gz DWJYBFCXLWZVBL-JTQLQIEISA-N 0 0 278.283 3.486 10 5 CGBERN CC(C)Oc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000040659682 174365717 /nfs/dbraw/zinc/36/57/17/174365717.db2.gz INWMXIAYSCDTOA-UHFFFAOYSA-N 0 0 294.355 3.307 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c([C@@H](F)C(F)(F)F)nc2c1 ZINC000072265956 176352125 /nfs/dbraw/zinc/35/21/25/176352125.db2.gz ZVTHOKZXGQYNIT-SSDOTTSWSA-N 0 0 263.150 3.044 10 5 CGBERN O=[N+]([O-])c1ccc(OCC(F)(F)C(F)(F)F)cc1 ZINC000072265897 176352203 /nfs/dbraw/zinc/35/22/03/176352203.db2.gz UOOGKSSUBKFORQ-UHFFFAOYSA-N 0 0 271.141 3.171 10 5 CGBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248427503 287765131 /nfs/dbraw/zinc/76/51/31/287765131.db2.gz OSWYMURRIMBQLG-BYCMXARLSA-N 0 0 288.347 3.246 10 5 CGBERN CC(=O)Nc1ccc2nc3ccc(C)cc3nc2c1 ZINC000198668489 277084434 /nfs/dbraw/zinc/08/44/34/277084434.db2.gz WJLQAPJKZJNQEZ-UHFFFAOYSA-N 0 0 251.289 3.050 10 5 CGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1 ZINC000103377511 280023560 /nfs/dbraw/zinc/02/35/60/280023560.db2.gz GHCCXONCFPNGHZ-NSHDSACASA-N 0 0 282.299 3.186 10 5 CGBERN O=[N+]([O-])[C@@]1(Br)C=CC(c2ccccc2)=CC1 ZINC000085482972 280353107 /nfs/dbraw/zinc/35/31/07/280353107.db2.gz BAZNURAZFFEIPE-LBPRGKRZSA-N 0 0 280.121 3.398 10 5 CGBERN CCN(c1ncnc(Cl)c1[N+](=O)[O-])C1CCCCC1 ZINC000050454782 521506983 /nfs/dbraw/zinc/50/69/83/521506983.db2.gz MOIXFRCRVPLZIR-UHFFFAOYSA-N 0 0 284.747 3.197 10 5 CGBERN C[C@H]1CCC[C@H](SCC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054693232 524209784 /nfs/dbraw/zinc/20/97/84/524209784.db2.gz DOBNDTWAJTUTCT-ONGXEEELSA-N 0 0 282.365 3.418 10 5 CGBERN C[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000052290910 524965813 /nfs/dbraw/zinc/96/58/13/524965813.db2.gz BOJAKKPSNFWFAV-IMTBSYHQSA-N 0 0 260.215 3.434 10 5 CGBERN Cc1ccccc1[C@H](O)Cc1ccccc1[N+](=O)[O-] ZINC000062138619 525432903 /nfs/dbraw/zinc/43/29/03/525432903.db2.gz MWGAXQBPXUMZLA-OAHLLOKOSA-N 0 0 257.289 3.179 10 5 CGBERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139432126 623658158 /nfs/dbraw/zinc/65/81/58/623658158.db2.gz UEKPIYUFYFXREW-KWQFWETISA-N 0 0 282.727 3.167 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000084809755 636766922 /nfs/dbraw/zinc/76/69/22/636766922.db2.gz SXPRRBPVSGZFFO-LLVKDONJSA-N 0 0 286.287 3.216 10 5 CGBERN CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000049091674 640083389 /nfs/dbraw/zinc/08/33/89/640083389.db2.gz BFVMEEOEJBBIMS-LLVKDONJSA-N 0 0 284.743 3.413 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 ZINC000588435750 799693502 /nfs/dbraw/zinc/69/35/02/799693502.db2.gz FKEXCBARKCIEPF-KHPPLWFESA-N 0 0 274.320 3.057 10 5 CGBERN CC[C@H](C)N(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436849 799693967 /nfs/dbraw/zinc/69/39/67/799693967.db2.gz WAROPBNHXIDQHF-WEHUKYGOSA-N 0 0 276.336 3.255 10 5 CGBERN CC[C@@H](NC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175978395 529619057 /nfs/dbraw/zinc/61/90/57/529619057.db2.gz SCLCJZVPQMWYGR-CYBMUJFWSA-N 0 0 293.367 3.391 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@H]3C2)c1 ZINC000080649599 345681482 /nfs/dbraw/zinc/68/14/82/345681482.db2.gz KBXHXQMMKOUUGS-QWRGUYRKSA-N 0 0 292.310 3.145 10 5 CGBERN O=[N+]([O-])c1ccc2c(ccn2CCCCCCO)c1 ZINC000081128019 345700423 /nfs/dbraw/zinc/70/04/23/345700423.db2.gz KAPWYYLZVUJISB-UHFFFAOYSA-N 0 0 262.309 3.102 10 5 CGBERN COC(=O)c1cccc(Oc2cccc([N+](=O)[O-])c2)c1 ZINC000141056909 346106817 /nfs/dbraw/zinc/10/68/17/346106817.db2.gz NXSBKTSQQLWANJ-UHFFFAOYSA-N 0 0 273.244 3.174 10 5 CGBERN Cc1c(Cl)cc([N+](=O)[O-])cc1I ZINC000307458964 346462906 /nfs/dbraw/zinc/46/29/06/346462906.db2.gz GZEPFRQRDLOHBV-UHFFFAOYSA-N 0 0 297.479 3.161 10 5 CGBERN O=Cc1c(C(F)(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000514278822 346638103 /nfs/dbraw/zinc/63/81/03/346638103.db2.gz QXSDLURNOOSKAE-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=[N+]([O-])c1ncccc1Oc1ccccc1Cl ZINC000584641220 346702870 /nfs/dbraw/zinc/70/28/70/346702870.db2.gz RYYTWUABJSEEST-UHFFFAOYSA-N 0 0 250.641 3.436 10 5 CGBERN O=[N+]([O-])c1ccc(NN2CSCCCSC2)cc1 ZINC000584645059 346703204 /nfs/dbraw/zinc/70/32/04/346703204.db2.gz IYXAPQVTIRXEBC-UHFFFAOYSA-N 0 0 285.394 3.009 10 5 CGBERN COC(=O)CCCCCSc1ccc([N+](=O)[O-])cc1 ZINC000584604797 346690312 /nfs/dbraw/zinc/69/03/12/346690312.db2.gz HMXUNUWCFXSNFS-UHFFFAOYSA-N 0 0 283.349 3.420 10 5 CGBERN O=[N+]([O-])c1cc(Cl)c(NC2CC(CO)C2)c(Cl)c1 ZINC000596567598 347480946 /nfs/dbraw/zinc/48/09/46/347480946.db2.gz JOXBMCMQWBVKRZ-UHFFFAOYSA-N 0 0 291.134 3.084 10 5 CGBERN C[C@@H]1C[C@@H](CNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000619589767 349261320 /nfs/dbraw/zinc/26/13/20/349261320.db2.gz LNMRIRDGBYLJIA-ILWJIGKKSA-N 0 0 270.354 3.272 10 5 CGBERN Cc1oc2c(cccc2Br)c1[N+](=O)[O-] ZINC000137850886 187901842 /nfs/dbraw/zinc/90/18/42/187901842.db2.gz CQSRTJGJGQVPSK-UHFFFAOYSA-N 0 0 256.055 3.412 10 5 CGBERN CCC(CC)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000104550305 138350292 /nfs/dbraw/zinc/35/02/92/138350292.db2.gz VIGQDFJZSPUYSS-UHFFFAOYSA-N 0 0 270.354 3.131 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cccs3)nc2c1 ZINC000105797211 138353051 /nfs/dbraw/zinc/35/30/51/138353051.db2.gz BJRTVFHEZNYQKU-UHFFFAOYSA-N 0 0 274.305 3.145 10 5 CGBERN Cc1cc(N[C@@H](CO)c2ccco2)c(Cl)cc1[N+](=O)[O-] ZINC000301474938 201021454 /nfs/dbraw/zinc/02/14/54/201021454.db2.gz NELLLZQNKFEPGX-NSHDSACASA-N 0 0 296.710 3.295 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000301784113 201195147 /nfs/dbraw/zinc/19/51/47/201195147.db2.gz OPUFJAJKSQYPTK-STQMWFEESA-N 0 0 292.335 3.167 10 5 CGBERN COC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)c(C)c1N ZINC000002528749 368460492 /nfs/dbraw/zinc/46/04/92/368460492.db2.gz GMIQHJIVYZVEJP-UHFFFAOYSA-N 0 0 292.316 3.001 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NCC[C@@H]1CCCO1 ZINC000037981732 369132817 /nfs/dbraw/zinc/13/28/17/369132817.db2.gz JDZBPWJJQUCSCO-JTQLQIEISA-N 0 0 270.716 3.229 10 5 CGBERN CC(=O)N[C@H](Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000039339716 369148599 /nfs/dbraw/zinc/14/85/99/369148599.db2.gz KXPKQZVGLNMCPF-OAHLLOKOSA-N 0 0 284.315 3.015 10 5 CGBERN CCc1ccc([C@H](C)Nc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000037998411 369135731 /nfs/dbraw/zinc/13/57/31/369135731.db2.gz OPOMNZPUVUMFEC-JTQLQIEISA-N 0 0 288.351 3.372 10 5 CGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000049526139 369406417 /nfs/dbraw/zinc/40/64/17/369406417.db2.gz QOLXTFCQCIGFMG-MRVPVSSYSA-N 0 0 278.699 3.211 10 5 CGBERN CCS[C@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074768556 369888260 /nfs/dbraw/zinc/88/82/60/369888260.db2.gz APMSUMJNWHWGRQ-MNOVXSKESA-N 0 0 281.381 3.384 10 5 CGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC(C)(C)C ZINC000103377378 370324895 /nfs/dbraw/zinc/32/48/95/370324895.db2.gz WQJWVDWAOUCJJN-SNVBAGLBSA-N 0 0 276.336 3.309 10 5 CGBERN Cc1ccoc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376868 370325641 /nfs/dbraw/zinc/32/56/41/370325641.db2.gz QDKYPJDYMGCJAM-JTQLQIEISA-N 0 0 286.287 3.088 10 5 CGBERN O=[N+]([O-])CC[C@@H](Br)c1ccc(F)c(F)c1 ZINC000219941496 376206025 /nfs/dbraw/zinc/20/60/25/376206025.db2.gz WWIKFFLUQWTBRW-SSDOTTSWSA-N 0 0 280.068 3.068 10 5 CGBERN CCC[C@@]1(C)CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302060431 373818258 /nfs/dbraw/zinc/81/82/58/373818258.db2.gz RVGUQWRRPWRHBM-INIZCTEOSA-N 0 0 292.379 3.494 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(Cl)cn1 ZINC000302824421 373975236 /nfs/dbraw/zinc/97/52/36/373975236.db2.gz WYHOZQYEXWETSM-UHFFFAOYSA-N 0 0 281.674 3.394 10 5 CGBERN O=C(O[C@@H]1CCCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000256003295 190000990 /nfs/dbraw/zinc/00/09/90/190000990.db2.gz TYHDVUPRZSIVES-GFCCVEGCSA-N 0 0 281.333 3.037 10 5 CGBERN Cc1cc(N[C@H]2CCCC[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000313199796 249089086 /nfs/dbraw/zinc/08/90/86/249089086.db2.gz YKHGVVKEBRDPMH-PWSUYJOCSA-N 0 0 282.315 3.005 10 5 CGBERN COc1cc([N+](=O)[O-])cc(C(F)F)c1OC(F)F ZINC000575652291 377929657 /nfs/dbraw/zinc/92/96/57/377929657.db2.gz NRQGFZVSTDZLGD-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN Cc1cc(OC(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575666485 377944436 /nfs/dbraw/zinc/94/44/36/377944436.db2.gz JDVBWAFYIHFPQX-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(OC(F)F)c1OC(F)F ZINC000575673603 377949617 /nfs/dbraw/zinc/94/96/17/377949617.db2.gz AAYJASGALFHJBG-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C)cc1C(F)(F)F ZINC000575675928 377950533 /nfs/dbraw/zinc/95/05/33/377950533.db2.gz ZPWPLPKVJYYXRF-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CC(=O)c1cc(C)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575679584 377953449 /nfs/dbraw/zinc/95/34/49/377953449.db2.gz ZNPXNORKDYZOIO-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN O=[N+]([O-])c1cnc(-c2ccc(F)cc2)cc1Cl ZINC000575434028 377908851 /nfs/dbraw/zinc/90/88/51/377908851.db2.gz FCDABKQZFDWLIW-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN CC(=O)c1c(Br)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575686816 377962108 /nfs/dbraw/zinc/96/21/08/377962108.db2.gz RRQASOXHJNIUSG-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1cc(Br)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575686742 377962209 /nfs/dbraw/zinc/96/22/09/377962209.db2.gz RMLSBLKNFFTTIW-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl ZINC000575695692 377969341 /nfs/dbraw/zinc/96/93/41/377969341.db2.gz RJJYECDINXSBCD-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1cc(C(F)(F)F)cc(F)c1[N+](=O)[O-] ZINC000575697853 377970631 /nfs/dbraw/zinc/97/06/31/377970631.db2.gz OVCGQSOHFZCOLI-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1cc(F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575697228 377970759 /nfs/dbraw/zinc/97/07/59/377970759.db2.gz AKJTYNVAEADJPE-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1cc(C(C)=O)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575699373 377971448 /nfs/dbraw/zinc/97/14/48/377971448.db2.gz UVQVINISRUZWBY-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOc1cc(C(C)=O)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575700007 377972451 /nfs/dbraw/zinc/97/24/51/377972451.db2.gz ZGWBZXJEGAQIOP-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOc1ccc(C(F)(F)F)c(OC)c1[N+](=O)[O-] ZINC000575699750 377972532 /nfs/dbraw/zinc/97/25/32/377972532.db2.gz WTWVCEBENNMYGP-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN COC(=O)c1c(Cl)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575713469 377982323 /nfs/dbraw/zinc/98/23/23/377982323.db2.gz UOZVUZVOURAEEC-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191851980 130317880 /nfs/dbraw/zinc/31/78/80/130317880.db2.gz ZSRYYTMNQXUTMJ-SCZZXKLOSA-N 0 0 298.726 3.002 10 5 CGBERN O=[N+]([O-])c1ccc(Br)c(Cl)c1F ZINC000307538898 392652894 /nfs/dbraw/zinc/65/28/94/392652894.db2.gz WZNRZCUIFMKTCC-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160674300 292288902 /nfs/dbraw/zinc/28/89/02/292288902.db2.gz VSQKBQLSERPRAZ-CZUORRHYSA-N 0 0 290.363 3.035 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCC1 ZINC000005854271 170147059 /nfs/dbraw/zinc/14/70/59/170147059.db2.gz MUZYYPGFSGSNIL-UHFFFAOYSA-N 0 0 262.309 3.422 10 5 CGBERN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC000006061377 170173062 /nfs/dbraw/zinc/17/30/62/170173062.db2.gz QYMWSHNJKSPPLG-JTQLQIEISA-N 0 0 289.262 3.384 10 5 CGBERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006587618 170216716 /nfs/dbraw/zinc/21/67/16/170216716.db2.gz VQOVJWMLCGXMHE-IWYIRLTCSA-N 0 0 288.347 3.303 10 5 CGBERN CCCN(CCC)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000020444506 171205785 /nfs/dbraw/zinc/20/57/85/171205785.db2.gz KXSYGLGCBFMYGY-UHFFFAOYSA-N 0 0 250.298 3.034 10 5 CGBERN CC(C)C[C@H](C)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037345598 173143450 /nfs/dbraw/zinc/14/34/50/173143450.db2.gz DEMPTIWEAYRPEA-NSHDSACASA-N 0 0 265.309 3.229 10 5 CGBERN CCc1ccccc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571139 174338546 /nfs/dbraw/zinc/33/85/46/174338546.db2.gz VTDYUWXIXODKFZ-UHFFFAOYSA-N 0 0 278.699 3.344 10 5 CGBERN CCc1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571563 174338550 /nfs/dbraw/zinc/33/85/50/174338550.db2.gz HMCWQCPTOIOZGA-UHFFFAOYSA-N 0 0 279.683 3.393 10 5 CGBERN COc1ccc(NCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000041571626 174569617 /nfs/dbraw/zinc/56/96/17/174569617.db2.gz YFXCRRJFUBBBNO-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN CC[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(C)C ZINC000050037881 175507311 /nfs/dbraw/zinc/50/73/11/175507311.db2.gz DGVZFUVAZHZNLJ-LLVKDONJSA-N 0 0 286.278 3.037 10 5 CGBERN O=[N+]([O-])c1ccc2ncc(Nc3ccccc3)nc2c1 ZINC000072107969 176317138 /nfs/dbraw/zinc/31/71/38/176317138.db2.gz HEYWYGYHNYPEKI-UHFFFAOYSA-N 0 0 266.260 3.282 10 5 CGBERN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000116277409 267136001 /nfs/dbraw/zinc/13/60/01/267136001.db2.gz CUFKIWUJUNWSPP-VIFPVBQESA-N 0 0 286.784 3.186 10 5 CGBERN O=c1cc(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000005117433 275043411 /nfs/dbraw/zinc/04/34/11/275043411.db2.gz KFCTXLVNHOGMHX-UHFFFAOYSA-N 0 0 266.256 3.103 10 5 CGBERN Cc1c(C(=O)N2CC[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000163008995 278587662 /nfs/dbraw/zinc/58/76/62/278587662.db2.gz HORSYBILSKWUSR-RYUDHWBXSA-N 0 0 290.363 3.411 10 5 CGBERN Cc1cc(N[C@@H]2C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000301992985 278734647 /nfs/dbraw/zinc/73/46/47/278734647.db2.gz GNNKMKGAECDFRO-GZMMTYOYSA-N 0 0 257.293 3.272 10 5 CGBERN Clc1nc(Cl)c2cc3ccccc3nc2n1 ZINC000091691756 279298783 /nfs/dbraw/zinc/29/87/83/279298783.db2.gz BXLVUXUDBAKBSC-UHFFFAOYSA-N 0 0 250.088 3.485 10 5 CGBERN O=C([C@H]1[C@H]2CC[C@@H]1c1ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000100469144 280155475 /nfs/dbraw/zinc/15/54/75/280155475.db2.gz YLDPGEWKPRHDNY-WCABBAIRSA-N 0 0 285.221 3.317 10 5 CGBERN O=[N+]([O-])c1cc(Br)sc1Br ZINC000004205255 280356714 /nfs/dbraw/zinc/35/67/14/280356714.db2.gz HYJLCFYMHSSKHD-UHFFFAOYSA-N 0 0 286.932 3.181 10 5 CGBERN Cc1cc(N[C@@H](C)c2cc[nH]n2)c([N+](=O)[O-])cc1C ZINC000050439111 525292362 /nfs/dbraw/zinc/29/23/62/525292362.db2.gz NVUPUVVNCDSPRO-JTQLQIEISA-N 0 0 260.297 3.108 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000184468742 525714280 /nfs/dbraw/zinc/71/42/80/525714280.db2.gz HHFFTQNRWDNSND-LLVKDONJSA-N 0 0 288.303 3.296 10 5 CGBERN O=[N+]([O-])c1ccc2nc(NCCC3=CCOCC3)ccc2c1 ZINC000158058978 527380356 /nfs/dbraw/zinc/38/03/56/527380356.db2.gz JECCRMNRKRIANI-UHFFFAOYSA-N 0 0 299.330 3.292 10 5 CGBERN O=[N+]([O-])c1ccccc1C[C@H](O)c1ccc(F)cc1 ZINC000062138388 527402312 /nfs/dbraw/zinc/40/23/12/527402312.db2.gz JBIDHKDNMWXETL-AWEZNQCLSA-N 0 0 261.252 3.010 10 5 CGBERN Cc1nn(C(C)C)cc1NCc1cccc([N+](=O)[O-])c1 ZINC000725242628 570254733 /nfs/dbraw/zinc/25/47/33/570254733.db2.gz NTPJIJZRSYAUFN-UHFFFAOYSA-N 0 0 274.324 3.293 10 5 CGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000171608373 623178355 /nfs/dbraw/zinc/17/83/55/623178355.db2.gz RRAMOTQJSOZQFV-QMMMGPOBSA-N 0 0 272.757 3.190 10 5 CGBERN CC(C)(C)[C@@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000324386580 623884933 /nfs/dbraw/zinc/88/49/33/623884933.db2.gz XUJYGAFLJTXRPC-NSHDSACASA-N 0 0 272.732 3.067 10 5 CGBERN C[C@H]1C[C@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730601 625706156 /nfs/dbraw/zinc/70/61/56/625706156.db2.gz ZRELWLOUCFRMQR-POYBYMJQSA-N 0 0 271.114 3.178 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000023305246 344897850 /nfs/dbraw/zinc/89/78/50/344897850.db2.gz MGYKEFALAMLPKW-LLVKDONJSA-N 0 0 288.303 3.296 10 5 CGBERN Cc1cc2nc(N3CCCC3)c3ccccc3c2nn1 ZINC000028760011 344914619 /nfs/dbraw/zinc/91/46/19/344914619.db2.gz YPWBXHJHCRFZQE-UHFFFAOYSA-N 0 0 264.332 3.087 10 5 CGBERN O=[N+]([O-])c1ccc(NCCCCC(F)(F)F)nc1 ZINC000128949296 232190608 /nfs/dbraw/zinc/19/06/08/232190608.db2.gz JVAXUXWVZSVDJC-UHFFFAOYSA-N 0 0 263.219 3.134 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078370697 345604675 /nfs/dbraw/zinc/60/46/75/345604675.db2.gz YKXNXUSCOUBPLU-QWRGUYRKSA-N 0 0 262.284 3.136 10 5 CGBERN Cc1cnc(CCNc2cccc(F)c2[N+](=O)[O-])s1 ZINC000078372967 345604741 /nfs/dbraw/zinc/60/47/41/345604741.db2.gz BPDMUNAIIKSXOF-UHFFFAOYSA-N 0 0 281.312 3.153 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)Nc1ccccc1 ZINC000092671786 345851725 /nfs/dbraw/zinc/85/17/25/345851725.db2.gz MZVGWALYIOKMOS-LBPRGKRZSA-N 0 0 286.335 3.211 10 5 CGBERN O=[N+]([O-])c1cc2n[nH]cc2c2c3ccccc3[nH]c21 ZINC000096272479 345902566 /nfs/dbraw/zinc/90/25/66/345902566.db2.gz OEZGLXNWDIQDMU-UHFFFAOYSA-N 0 0 252.233 3.106 10 5 CGBERN Cc1cc(N[C@@H]2CCCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000135821202 346088753 /nfs/dbraw/zinc/08/87/53/346088753.db2.gz JBDVWGXLZJOAND-TZMCWYRMSA-N 0 0 264.325 3.009 10 5 CGBERN Cn1c2ccccc2c(=O)c2ccc(Br)cc21 ZINC000196577502 346276484 /nfs/dbraw/zinc/27/64/84/346276484.db2.gz FPUBPFOSOUWSEA-UHFFFAOYSA-N 0 0 288.144 3.454 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1N1CCc2ccccc2C1 ZINC000222266786 346299115 /nfs/dbraw/zinc/29/91/15/346299115.db2.gz WVNIZLXGSLIGNZ-UHFFFAOYSA-N 0 0 272.279 3.297 10 5 CGBERN CSc1cc(Br)cc([N+](=O)[O-])c1C ZINC000307627211 346464329 /nfs/dbraw/zinc/46/43/29/346464329.db2.gz IYTJDZDFUITUIR-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN O=[N+]([O-])c1cc(Br)ccc1N1C[C@H]2CCC[C@H]21 ZINC000609964231 348359116 /nfs/dbraw/zinc/35/91/16/348359116.db2.gz NBPDRDYCQZCRDZ-PSASIEDQSA-N 0 0 297.152 3.346 10 5 CGBERN O=C1CCC[C@@H]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104307593 185961989 /nfs/dbraw/zinc/96/19/89/185961989.db2.gz FEDOXXMHFODHGC-MRVPVSSYSA-N 0 0 253.685 3.160 10 5 CGBERN O=[N+]([O-])c1ccc([C@@H]2C[C@@H](O)c3ccccc3N2)cc1 ZINC000090711643 180028391 /nfs/dbraw/zinc/02/83/91/180028391.db2.gz YEKWLQFQOAQSBJ-LSDHHAIUSA-N 0 0 270.288 3.185 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)o1 ZINC000122472410 187034014 /nfs/dbraw/zinc/03/40/14/187034014.db2.gz KCVVMVHOULJMLQ-LLVKDONJSA-N 0 0 288.303 3.296 10 5 CGBERN Cc1nc(CNc2ncc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000301846196 201230307 /nfs/dbraw/zinc/23/03/07/201230307.db2.gz UBSWETBKVVTTIR-UHFFFAOYSA-N 0 0 298.755 3.329 10 5 CGBERN CS[C@@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302023763 201304489 /nfs/dbraw/zinc/30/44/89/201304489.db2.gz GTOVXMDDODIXCN-VXGBXAGGSA-N 0 0 296.392 3.173 10 5 CGBERN CCC(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000039339717 369148834 /nfs/dbraw/zinc/14/88/34/369148834.db2.gz SVLKNTFNIRHGDA-HNNXBMFYSA-N 0 0 298.342 3.405 10 5 CGBERN O=[N+]([O-])c1ccc(-n2nccc2-c2ccccc2)cc1 ZINC000042188341 369203143 /nfs/dbraw/zinc/20/31/43/369203143.db2.gz XZHRORCXZCBQPL-UHFFFAOYSA-N 0 0 265.272 3.448 10 5 CGBERN O=[N+]([O-])c1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000052942789 369475581 /nfs/dbraw/zinc/47/55/81/369475581.db2.gz RSWBSXZIIKIAPI-UHFFFAOYSA-N 0 0 291.238 3.254 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCCS1 ZINC000150180844 371532725 /nfs/dbraw/zinc/53/27/25/371532725.db2.gz MZOVKRLRBCCADP-VIFPVBQESA-N 0 0 256.302 3.041 10 5 CGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000301260192 373717211 /nfs/dbraw/zinc/71/72/11/373717211.db2.gz UYCZYISPUOYUIJ-CQSZACIVSA-N 0 0 283.331 3.286 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000301560194 373785162 /nfs/dbraw/zinc/78/51/62/373785162.db2.gz KDDMDZRIVOXSEY-ZFWWWQNUSA-N 0 0 276.336 3.051 10 5 CGBERN Cc1cccc(N[C@H](CO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000302524802 373889358 /nfs/dbraw/zinc/88/93/58/373889358.db2.gz ZNBBSKHQTSIQNM-NSHDSACASA-N 0 0 266.341 3.112 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[C@@H](C)C2)c1 ZINC000302532281 373889401 /nfs/dbraw/zinc/88/94/01/373889401.db2.gz LOCRICQETOZXRA-BDAKNGLRSA-N 0 0 268.288 3.343 10 5 CGBERN CN(CCOc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302842170 373982978 /nfs/dbraw/zinc/98/29/78/373982978.db2.gz DKLLBTYUGFNRAJ-UHFFFAOYSA-N 0 0 290.294 3.249 10 5 CGBERN O=C(O[C@H]1CCCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000256003296 190001494 /nfs/dbraw/zinc/00/14/94/190001494.db2.gz TYHDVUPRZSIVES-LBPRGKRZSA-N 0 0 281.333 3.037 10 5 CGBERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)o1 ZINC000226548146 376364950 /nfs/dbraw/zinc/36/49/50/376364950.db2.gz QTUCAJOPDNJKJD-QMMMGPOBSA-N 0 0 265.244 3.203 10 5 CGBERN Nc1cc([N+](=O)[O-])c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575379733 377891078 /nfs/dbraw/zinc/89/10/78/377891078.db2.gz LDJYWDJIVZLKLH-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN O=[N+]([O-])c1c(F)c(C(F)(F)F)ccc1OC(F)F ZINC000575661693 377938283 /nfs/dbraw/zinc/93/82/83/377938283.db2.gz UHSISGLOTDRBDD-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN Cc1cc([N+](=O)[O-])c(C(F)F)cc1OC(F)F ZINC000575665215 377941967 /nfs/dbraw/zinc/94/19/67/377941967.db2.gz CATKVXXPFLIOBO-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN COc1cc(OC(F)F)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575665934 377943065 /nfs/dbraw/zinc/94/30/65/377943065.db2.gz HECWNMPBIWTOLR-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575667334 377945565 /nfs/dbraw/zinc/94/55/65/377945565.db2.gz PNVHMJNADUGLOT-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN CC(=O)c1c(C)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575679468 377952401 /nfs/dbraw/zinc/95/24/01/377952401.db2.gz SZQVWDWYKPBOIS-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CCOc1cc(OCC)c(Br)c([N+](=O)[O-])c1 ZINC000575680740 377955023 /nfs/dbraw/zinc/95/50/23/377955023.db2.gz IVJBERKHRHFWLF-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN CCOc1ccc(OCC)c([N+](=O)[O-])c1Br ZINC000575680738 377955065 /nfs/dbraw/zinc/95/50/65/377955065.db2.gz ITMPDHLSBDCUDT-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN CC(=O)c1cc(C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000575686607 377960732 /nfs/dbraw/zinc/96/07/32/377960732.db2.gz QBMGPIOAAJVALA-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1cc(Br)cc(C(F)F)c1[N+](=O)[O-] ZINC000575688238 377963426 /nfs/dbraw/zinc/96/34/26/377963426.db2.gz ZVQAESGNYDKYRR-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCc1c([N+](=O)[O-])ccc(C(C)=O)c1C(F)(F)F ZINC000575704056 377977195 /nfs/dbraw/zinc/97/71/95/377977195.db2.gz SVSWLDKXNVKXCQ-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN Cc1c(=O)c2ccc([O-])cc2oc1-c1ccc([N+](=O)[O-])cc1 ZINC000036474451 391975721 /nfs/dbraw/zinc/97/57/21/391975721.db2.gz ACRHPNNURHUXMU-UHFFFAOYSA-N 0 0 297.266 3.382 10 5 CGBERN Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245545303 131086502 /nfs/dbraw/zinc/08/65/02/131086502.db2.gz TWCCMBNCWHRKII-ZBFHGGJFSA-N 0 0 290.363 3.047 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)O[C@@H](C)C1 ZINC000302759970 392620035 /nfs/dbraw/zinc/62/00/35/392620035.db2.gz JSRHUBYCMMZVEY-UWVGGRQHSA-N 0 0 284.743 3.170 10 5 CGBERN C[C@H]1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000196208519 392975250 /nfs/dbraw/zinc/97/52/50/392975250.db2.gz OGCUASVESUFADR-MEBBXXQBSA-N 0 0 269.304 3.370 10 5 CGBERN Cc1ccc(Cl)c(Br)c1[N+](=O)[O-] ZINC000306616440 397678607 /nfs/dbraw/zinc/67/86/07/397678607.db2.gz OUOQKHJCMCZRMY-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCCC[C@@H]1O ZINC000086016409 165183395 /nfs/dbraw/zinc/18/33/95/165183395.db2.gz MFNAMECMMKFTQX-CABZTGNLSA-N 0 0 284.743 3.211 10 5 CGBERN Cc1nc(Cl)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000004748142 170010806 /nfs/dbraw/zinc/01/08/06/170010806.db2.gz NRWPVMYEYDWRIM-UHFFFAOYSA-N 0 0 282.662 3.229 10 5 CGBERN CC[C@@H](C(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000005666307 170125661 /nfs/dbraw/zinc/12/56/61/170125661.db2.gz OBKCPEINWDJOJV-SNVBAGLBSA-N 0 0 291.332 3.184 10 5 CGBERN C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000006471124 170203986 /nfs/dbraw/zinc/20/39/86/170203986.db2.gz MXRMEDULPNAQSD-XZHRJIJLSA-N 0 0 296.326 3.485 10 5 CGBERN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007271992 170274792 /nfs/dbraw/zinc/27/47/92/170274792.db2.gz SYIDIKCEEXYGOB-CABZTGNLSA-N 0 0 280.299 3.042 10 5 CGBERN C[C@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cc1C=O ZINC000020368628 171167204 /nfs/dbraw/zinc/16/72/04/171167204.db2.gz DBOICHCRQOKJHQ-NSHDSACASA-N 0 0 282.299 3.490 10 5 CGBERN C[C@@H]1CCCC[C@H]1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020444924 171206274 /nfs/dbraw/zinc/20/62/74/171206274.db2.gz DNCSAGGNYZHXIQ-ZWNOBZJWSA-N 0 0 263.293 3.365 10 5 CGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCO2)c2ncccc12 ZINC000024202945 171432818 /nfs/dbraw/zinc/43/28/18/171432818.db2.gz PMJJCJPUGHOAKN-NSHDSACASA-N 0 0 287.319 3.124 10 5 CGBERN C[C@@H](O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000035188704 172043514 /nfs/dbraw/zinc/04/35/14/172043514.db2.gz NUJYZNUDMZTTEY-LLVKDONJSA-N 0 0 273.288 3.227 10 5 CGBERN Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000035223811 172068132 /nfs/dbraw/zinc/06/81/32/172068132.db2.gz ZDFIEABDCYAYAG-UHFFFAOYSA-N 0 0 287.275 3.424 10 5 CGBERN Cc1nc(CNc2ccc(F)c([N+](=O)[O-])c2)cs1 ZINC000035224001 172068274 /nfs/dbraw/zinc/06/82/74/172068274.db2.gz ATAMSLVKKYFLAG-UHFFFAOYSA-N 0 0 267.285 3.111 10 5 CGBERN C[C@@H](O)c1ccc(N(C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000035719505 172373714 /nfs/dbraw/zinc/37/37/14/172373714.db2.gz KQPNILBFRUENAE-SNVBAGLBSA-N 0 0 292.360 3.346 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2c(F)cccc2F)o1 ZINC000037247098 173060454 /nfs/dbraw/zinc/06/04/54/173060454.db2.gz GZEFJJMHXBPPMD-UHFFFAOYSA-N 0 0 254.192 3.078 10 5 CGBERN CC(C)C[C@@H](C)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037345597 173142838 /nfs/dbraw/zinc/14/28/38/173142838.db2.gz DEMPTIWEAYRPEA-LLVKDONJSA-N 0 0 265.309 3.229 10 5 CGBERN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000037420911 173197494 /nfs/dbraw/zinc/19/74/94/173197494.db2.gz NYLLNJWJZYFIGJ-SECBINFHSA-N 0 0 261.256 3.302 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000037668673 173610444 /nfs/dbraw/zinc/61/04/44/173610444.db2.gz DTROMDNNMGAOGJ-UHFFFAOYSA-N 0 0 291.238 3.254 10 5 CGBERN O=[N+]([O-])c1ccccc1Oc1ccc(CO)cc1F ZINC000038080623 174089733 /nfs/dbraw/zinc/08/97/33/174089733.db2.gz RDLKHBCOKSHESA-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN C[C@H](O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038080264 174089935 /nfs/dbraw/zinc/08/99/35/174089935.db2.gz UYIBFHVOXGCOSL-JTQLQIEISA-N 0 0 259.261 3.440 10 5 CGBERN Cc1ccc(Oc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040659648 174366081 /nfs/dbraw/zinc/36/60/81/174366081.db2.gz QJUJSZLKRYNGJY-UHFFFAOYSA-N 0 0 289.291 3.273 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000231663172 287642908 /nfs/dbraw/zinc/64/29/08/287642908.db2.gz ZRHACZNMHQOMLO-GXSJLCMTSA-N 0 0 250.298 3.204 10 5 CGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000408361949 280380869 /nfs/dbraw/zinc/38/08/69/280380869.db2.gz KQCWZNVQEKPMPV-KCJUWKMLSA-N 0 0 267.716 3.022 10 5 CGBERN CC(=O)Cc1ccc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000062770121 519438534 /nfs/dbraw/zinc/43/85/34/519438534.db2.gz WTHAWODPTBTKQM-UHFFFAOYSA-N 0 0 259.261 3.295 10 5 CGBERN CCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1N ZINC000052840088 521500109 /nfs/dbraw/zinc/50/01/09/521500109.db2.gz QWCNDUIHRRIXPJ-UHFFFAOYSA-N 0 0 257.293 3.335 10 5 CGBERN C[C@@H]1CCCC[C@H]1OCc1cc([N+](=O)[O-])ccc1N ZINC000050831677 524179455 /nfs/dbraw/zinc/17/94/55/524179455.db2.gz FORUWPURTDZZKI-QMTHXVAHSA-N 0 0 264.325 3.272 10 5 CGBERN Nc1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)cc1 ZINC000052840136 527461232 /nfs/dbraw/zinc/46/12/32/527461232.db2.gz BYVUEKBCOFFJOJ-UHFFFAOYSA-N 0 0 277.711 3.443 10 5 CGBERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000233304638 624619872 /nfs/dbraw/zinc/61/98/72/624619872.db2.gz LNXAFLIECJPASJ-LDYMZIIASA-N 0 0 282.727 3.167 10 5 CGBERN Cc1noc(C)c1CN1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000102886595 634973945 /nfs/dbraw/zinc/97/39/45/634973945.db2.gz CGCDPJQRPONFQL-SECBINFHSA-N 0 0 287.319 3.151 10 5 CGBERN C/C=C\COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445192 799695023 /nfs/dbraw/zinc/69/50/23/799695023.db2.gz RWBINYWMQCJXMA-WXRHCNDASA-N 0 0 261.277 3.117 10 5 CGBERN COc1ccc(NCn2cnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000095850793 185029563 /nfs/dbraw/zinc/02/95/63/185029563.db2.gz ADDYTVMHXXBRIR-UHFFFAOYSA-N 0 0 298.302 3.023 10 5 CGBERN COCc1cc([N+](=O)[O-])ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000080649625 345681495 /nfs/dbraw/zinc/68/14/95/345681495.db2.gz YVZMVULKLXBVRP-CHWSQXEVSA-N 0 0 288.347 3.144 10 5 CGBERN Cc1csc(CN(C)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000080644285 345681556 /nfs/dbraw/zinc/68/15/56/345681556.db2.gz DBSVIELUKYBFGD-UHFFFAOYSA-N 0 0 277.349 3.305 10 5 CGBERN Cc1cc2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113564733 345961033 /nfs/dbraw/zinc/96/10/33/345961033.db2.gz ZIGGOJHAEJJSFZ-UHFFFAOYSA-N 0 0 280.283 3.387 10 5 CGBERN O=[N+]([O-])c1cccc(-c2nc(C(F)(F)F)c[nH]2)c1 ZINC000221263407 346297414 /nfs/dbraw/zinc/29/74/14/346297414.db2.gz VDUFUNUTHZXOAO-UHFFFAOYSA-N 0 0 257.171 3.004 10 5 CGBERN CSc1ccc([N+](=O)[O-])c(Br)c1F ZINC000306368680 346453857 /nfs/dbraw/zinc/45/38/57/346453857.db2.gz KPVWZHPBAPPMME-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(OC(F)F)c1Br ZINC000396044688 346578935 /nfs/dbraw/zinc/57/89/35/346578935.db2.gz ZDDVJEFHFOZUDP-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN O=[N+]([O-])c1cc(SC(F)(F)F)cc(F)c1F ZINC000396110830 346579519 /nfs/dbraw/zinc/57/95/19/346579519.db2.gz CGPQBECHRFJYER-UHFFFAOYSA-N 0 0 259.155 3.485 10 5 CGBERN CC(C)(C)c1cc2c([N+](=O)[O-])ccc(F)c2nc1N ZINC000103923551 185862171 /nfs/dbraw/zinc/86/21/71/185862171.db2.gz JUCSUVYEATVHBI-UHFFFAOYSA-N 0 0 263.272 3.162 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc32)nc1 ZINC000048391449 137900950 /nfs/dbraw/zinc/90/09/50/137900950.db2.gz YNDYLTWPQDTTNE-ZDUSSCGKSA-N 0 0 255.277 3.089 10 5 CGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000117563135 138366444 /nfs/dbraw/zinc/36/64/44/138366444.db2.gz KUPCPMRQJJFDIC-BONVTDFDSA-N 0 0 299.282 3.065 10 5 CGBERN CSC[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000301317459 200973406 /nfs/dbraw/zinc/97/34/06/200973406.db2.gz BFLVDVAUOUUUJH-JTQLQIEISA-N 0 0 254.355 3.091 10 5 CGBERN Cc1cnc(CCNc2c(C)cccc2[N+](=O)[O-])s1 ZINC000301428279 201004782 /nfs/dbraw/zinc/00/47/82/201004782.db2.gz POMXRTFGFLOFAS-UHFFFAOYSA-N 0 0 277.349 3.323 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000301781104 201193332 /nfs/dbraw/zinc/19/33/32/201193332.db2.gz NPFWGALKVDMVCZ-NXEZZACHSA-N 0 0 298.314 3.112 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301810468 201211458 /nfs/dbraw/zinc/21/14/58/201211458.db2.gz ZUQSGFMLVSEKAA-UWVGGRQHSA-N 0 0 268.288 3.103 10 5 CGBERN Cc1nc2ccc3ccc(Br)cc3c2c(=O)[nH]1 ZINC000013832474 368668014 /nfs/dbraw/zinc/66/80/14/368668014.db2.gz WCQXCXDTQWDBHZ-UHFFFAOYSA-N 0 0 289.132 3.147 10 5 CGBERN c1cc2c(c3nc4c(ccc5c4COCN5)cc13)COCN2 ZINC000028022350 368881301 /nfs/dbraw/zinc/88/13/01/368881301.db2.gz WKPDATMOWZCADK-UHFFFAOYSA-N 0 0 293.326 3.187 10 5 CGBERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000034938846 368980599 /nfs/dbraw/zinc/98/05/99/368980599.db2.gz LANHUCYOZUUVAU-UHFFFAOYSA-N 0 0 273.244 3.208 10 5 CGBERN Cc1ccc([C@@H](C)NCc2csc([N+](=O)[O-])c2)o1 ZINC000037562815 369089342 /nfs/dbraw/zinc/08/93/42/369089342.db2.gz DXVQYSVNQAARAQ-SECBINFHSA-N 0 0 266.322 3.409 10 5 CGBERN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@@H]2CCC[C@H]2C1 ZINC000129084150 370974211 /nfs/dbraw/zinc/97/42/11/370974211.db2.gz XCEUOEDCTRBFLG-RYUDHWBXSA-N 0 0 283.331 3.379 10 5 CGBERN CC[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)C ZINC000134050103 371298741 /nfs/dbraw/zinc/29/87/41/371298741.db2.gz NBAUXRGWVMJQQY-LLVKDONJSA-N 0 0 286.278 3.037 10 5 CGBERN CC(C)(C)[C@@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000290081419 371899689 /nfs/dbraw/zinc/89/96/89/371899689.db2.gz JVPYEGQGHDKLDC-NSHDSACASA-N 0 0 291.706 3.173 10 5 CGBERN COC(=O)c1cc(N2C[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301955980 284531586 /nfs/dbraw/zinc/53/15/86/284531586.db2.gz MAQHKKVUAGKHFU-QWRGUYRKSA-N 0 0 292.335 3.006 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000227760217 376409350 /nfs/dbraw/zinc/40/93/50/376409350.db2.gz PYZPJZQOZHFTRO-AAEUAGOBSA-N 0 0 264.325 3.273 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000227759819 376409707 /nfs/dbraw/zinc/40/97/07/376409707.db2.gz CJDVTLHZSOYWNW-WCQYABFASA-N 0 0 264.325 3.273 10 5 CGBERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000226547168 376363253 /nfs/dbraw/zinc/36/32/53/376363253.db2.gz JZEWKQJLOCRAMW-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(C(F)F)cc1C(C)=O ZINC000575665165 377942101 /nfs/dbraw/zinc/94/21/01/377942101.db2.gz CDXGLLWPQSNCRT-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)(F)F ZINC000575668183 377945436 /nfs/dbraw/zinc/94/54/36/377945436.db2.gz RUHVHOJCOHWLHV-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1ccc([N+](=O)[O-])c(OC(F)F)c1C(F)(F)F ZINC000575667885 377945569 /nfs/dbraw/zinc/94/55/69/377945569.db2.gz SCQJMTYBSQEWIA-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CC(=O)c1cc(Br)c([N+](=O)[O-])cc1Cl ZINC000575678438 377952426 /nfs/dbraw/zinc/95/24/26/377952426.db2.gz VDSTUQGKANBDRW-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CC(=O)c1c(Cl)ccc([N+](=O)[O-])c1Br ZINC000575678247 377952933 /nfs/dbraw/zinc/95/29/33/377952933.db2.gz SBXRFFSAJQUDAY-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(C(F)(F)F)n1 ZINC000575397525 377905073 /nfs/dbraw/zinc/90/50/73/377905073.db2.gz FCDFADZVYCQMCH-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=[N+]([O-])c1ccc(-c2cccc(F)c2)nc1Cl ZINC000575434304 377908783 /nfs/dbraw/zinc/90/87/83/377908783.db2.gz MHHSGQDHEJLAGR-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN O=Cc1cc(C(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575686582 377960900 /nfs/dbraw/zinc/96/09/00/377960900.db2.gz PWLDSOOUUOZOMV-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])c(Cl)cc1OC(F)F ZINC000575699556 377972248 /nfs/dbraw/zinc/97/22/48/377972248.db2.gz FWLLEFOGTWOXEG-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN O=[N+]([O-])c1ccc(-c2c[nH]c(C(F)(F)F)n2)cc1 ZINC000584648012 378396032 /nfs/dbraw/zinc/39/60/32/378396032.db2.gz QMHQTXOWWPPYBA-UHFFFAOYSA-N 0 0 257.171 3.004 10 5 CGBERN CCS[C@H]1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078671170 165136211 /nfs/dbraw/zinc/13/62/11/165136211.db2.gz LMJKWQVQXDWIMN-MNOVXSKESA-N 0 0 281.381 3.384 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000119585198 287171455 /nfs/dbraw/zinc/17/14/55/287171455.db2.gz ZQQVFPRMPGXZIK-VIFPVBQESA-N 0 0 292.266 3.126 10 5 CGBERN C[C@@H]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000020517215 171232871 /nfs/dbraw/zinc/23/28/71/171232871.db2.gz KZXBHHYCNFTDQZ-ZWNOBZJWSA-N 0 0 263.293 3.365 10 5 CGBERN CC(C)(C)SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000035046859 171950278 /nfs/dbraw/zinc/95/02/78/171950278.db2.gz FZYALBVECMSIDC-UHFFFAOYSA-N 0 0 253.323 3.309 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000035224047 172068507 /nfs/dbraw/zinc/06/85/07/172068507.db2.gz ISEQZSYGDYKVSD-UHFFFAOYSA-N 0 0 258.277 3.216 10 5 CGBERN Nc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000035231895 172071593 /nfs/dbraw/zinc/07/15/93/172071593.db2.gz PXNZKSRVFCGWEG-UHFFFAOYSA-N 0 0 291.694 3.083 10 5 CGBERN CCOC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000035333590 172131503 /nfs/dbraw/zinc/13/15/03/172131503.db2.gz HJTCFYALVNMVSK-UHFFFAOYSA-N 0 0 282.054 3.217 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2ccc3c(c2)CCC3)o1 ZINC000037200538 173025180 /nfs/dbraw/zinc/02/51/80/173025180.db2.gz HQIZQBSQSNLDFG-UHFFFAOYSA-N 0 0 258.277 3.289 10 5 CGBERN CC(C)N(C)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037250969 173062713 /nfs/dbraw/zinc/06/27/13/173062713.db2.gz OYUWLYSXANCZNQ-UHFFFAOYSA-N 0 0 291.134 3.382 10 5 CGBERN COc1ccc(NCc2cccs2)c([N+](=O)[O-])c1 ZINC000037466948 173226763 /nfs/dbraw/zinc/22/67/63/173226763.db2.gz MOAIMQUYSGNHGN-UHFFFAOYSA-N 0 0 264.306 3.277 10 5 CGBERN CCc1ccc([C@@H](C)Nc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000037998410 173960820 /nfs/dbraw/zinc/96/08/20/173960820.db2.gz OPOMNZPUVUMFEC-SNVBAGLBSA-N 0 0 288.351 3.372 10 5 CGBERN O=C(c1ccc([N+](=O)[O-])cc1)n1ccc2ccccc21 ZINC000040409331 174254092 /nfs/dbraw/zinc/25/40/92/174254092.db2.gz DGDZMLHVARJZHR-UHFFFAOYSA-N 0 0 266.256 3.238 10 5 CGBERN CCOc1ccccc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571557 174338330 /nfs/dbraw/zinc/33/83/30/174338330.db2.gz WBEPACRIPYBTJH-UHFFFAOYSA-N 0 0 294.698 3.181 10 5 CGBERN CCNc1ncnc(Nc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000040596204 174348861 /nfs/dbraw/zinc/34/88/61/174348861.db2.gz UZHJSTPXPZYGFJ-UHFFFAOYSA-N 0 0 287.323 3.177 10 5 CGBERN CCOc1ncnc(Nc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000040621226 174355012 /nfs/dbraw/zinc/35/50/12/174355012.db2.gz WVFZFMGREUKZBM-UHFFFAOYSA-N 0 0 288.307 3.144 10 5 CGBERN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(-c2ccccc2)n1 ZINC000072237802 176346588 /nfs/dbraw/zinc/34/65/88/176346588.db2.gz GYMCFYTWIZWQFE-UHFFFAOYSA-N 0 0 296.286 3.056 10 5 CGBERN CC(=O)c1ccc(N[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000078571383 177355320 /nfs/dbraw/zinc/35/53/20/177355320.db2.gz NJHNLYJIEFDCAG-SECBINFHSA-N 0 0 250.298 3.254 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCC1(C2CC2)CC1 ZINC000228723219 416522710 /nfs/dbraw/zinc/52/27/10/416522710.db2.gz QJTPGODXBKQQEQ-UHFFFAOYSA-N 0 0 250.273 3.336 10 5 CGBERN CC[C@@]1(C)CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302078948 287416388 /nfs/dbraw/zinc/41/63/88/287416388.db2.gz ZIOVBCGXFFRZHT-HNNXBMFYSA-N 0 0 278.352 3.104 10 5 CGBERN Cc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377532 270045724 /nfs/dbraw/zinc/04/57/24/270045724.db2.gz VHXHEUNYULWKBU-LBPRGKRZSA-N 0 0 296.326 3.495 10 5 CGBERN O=[N+]([O-])c1cc2c3c(c1)CCc1cc([N+](=O)[O-])cc(c1-3)CC2 ZINC000006091369 275034212 /nfs/dbraw/zinc/03/42/12/275034212.db2.gz NHUOEGBUOIDRLN-UHFFFAOYSA-N 0 0 296.282 3.367 10 5 CGBERN COc1cc(Br)c([N+](=O)[O-])cc1Cl ZINC000409416960 277367046 /nfs/dbraw/zinc/36/70/46/277367046.db2.gz VNYNXLYFYLKIKI-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC[C@H](C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054473997 523887254 /nfs/dbraw/zinc/88/72/54/523887254.db2.gz XJDYUQXECRDUNG-ZETCQYMHSA-N 0 0 288.145 3.210 10 5 CGBERN C[C@@H]1CCCN(c2nc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000050568094 524249138 /nfs/dbraw/zinc/24/91/38/524249138.db2.gz XRMOVVWNECHWHL-RKDXNWHRSA-N 0 0 269.732 3.268 10 5 CGBERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000052290904 524854729 /nfs/dbraw/zinc/85/47/29/524854729.db2.gz BOJAKKPSNFWFAV-RCOVLWMOSA-N 0 0 260.215 3.434 10 5 CGBERN O=[N+]([O-])c1cc(NCc2cncs2)ccc1Cl ZINC000054770879 527338100 /nfs/dbraw/zinc/33/81/00/527338100.db2.gz YUPSCJGCWDDPJF-UHFFFAOYSA-N 0 0 269.713 3.317 10 5 CGBERN CC1CC(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000892636330 618881854 /nfs/dbraw/zinc/88/18/54/618881854.db2.gz PBRRCRAMAMHVKU-UHFFFAOYSA-N 0 0 285.303 3.128 10 5 CGBERN Cc1cc(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000084809719 636765008 /nfs/dbraw/zinc/76/50/08/636765008.db2.gz ZQFSMHGHKZHDOG-SNVBAGLBSA-N 0 0 290.275 3.118 10 5 CGBERN C[N+](C)([O-])CCOC(c1ccccc1)c1ccccc1 ZINC000002008595 717093120 /nfs/dbraw/zinc/09/31/20/717093120.db2.gz NDYVAPDXGGTUPC-UHFFFAOYSA-N 0 0 272.368 3.258 10 5 CGBERN CC[C@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445198 799694761 /nfs/dbraw/zinc/69/47/61/799694761.db2.gz SPDYVLKSONHPBW-JUDLJHIGSA-N 0 0 263.293 3.340 10 5 CGBERN O=[N+]([O-])c1ccccc1Oc1ccc2c(c1)OCO2 ZINC000005702614 344863021 /nfs/dbraw/zinc/86/30/21/344863021.db2.gz GFPLTYYHVUAJDZ-UHFFFAOYSA-N 0 0 259.217 3.116 10 5 CGBERN CCCc1cc(OC)c(/C=C(\C)[N+](=O)[O-])cc1OC ZINC000037627940 344952068 /nfs/dbraw/zinc/95/20/68/344952068.db2.gz CDWAXBGZIOPWPT-JXMROGBWSA-N 0 0 265.309 3.294 10 5 CGBERN CC(C)(C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000034398884 344939016 /nfs/dbraw/zinc/93/90/16/344939016.db2.gz JOAPRIPBRKUTHQ-UHFFFAOYSA-N 0 0 263.249 3.296 10 5 CGBERN O=[N+]([O-])c1cccc(Cl)c1NCC[C@@H]1CCCO1 ZINC000050352080 345081505 /nfs/dbraw/zinc/08/15/05/345081505.db2.gz OCUPXTPOFOEXMK-VIFPVBQESA-N 0 0 270.716 3.229 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(Cc3ccccc3F)c2c1 ZINC000145159302 346119652 /nfs/dbraw/zinc/11/96/52/346119652.db2.gz AFYIGOIIJMNYNB-UHFFFAOYSA-N 0 0 271.251 3.201 10 5 CGBERN CCOC(=O)Cc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000166267289 346186275 /nfs/dbraw/zinc/18/62/75/346186275.db2.gz NDABKIUJSCFOCW-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(Br)c1OC(F)F ZINC000396037157 346578109 /nfs/dbraw/zinc/57/81/09/346578109.db2.gz DJZXYAHWZALNRF-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN CCCCC[C@H]([N+](=O)[O-])P(=O)(OCC)OCC ZINC000584602541 346689746 /nfs/dbraw/zinc/68/97/46/346689746.db2.gz ZFTQGZPQWHHSFK-SNVBAGLBSA-N 0 0 267.262 3.436 10 5 CGBERN CCCCSc1c(OC)cc(C=O)cc1[N+](=O)[O-] ZINC000584634497 346700358 /nfs/dbraw/zinc/70/03/58/346700358.db2.gz HLONCNUKTLLNNB-UHFFFAOYSA-N 0 0 269.322 3.308 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)o1 ZINC000122472574 187033711 /nfs/dbraw/zinc/03/37/11/187033711.db2.gz KCVVMVHOULJMLQ-NSHDSACASA-N 0 0 288.303 3.296 10 5 CGBERN Cc1nc(NCc2csc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000301654454 201117860 /nfs/dbraw/zinc/11/78/60/201117860.db2.gz KUAYKHSFIAVNBW-UHFFFAOYSA-N 0 0 292.364 3.490 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)COC(C)(C)C)cc1[N+](=O)[O-] ZINC000183187337 189349892 /nfs/dbraw/zinc/34/98/92/189349892.db2.gz RHAOPNKXHHAMNK-LLVKDONJSA-N 0 0 295.335 3.323 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301787846 201197865 /nfs/dbraw/zinc/19/78/65/201197865.db2.gz QAFNALWZOXGIJA-ZJUUUORDSA-N 0 0 285.731 3.013 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301787844 201197873 /nfs/dbraw/zinc/19/78/73/201197873.db2.gz QAFNALWZOXGIJA-VHSXEESVSA-N 0 0 285.731 3.013 10 5 CGBERN CN(c1cc(CO)ccc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000302042592 201315649 /nfs/dbraw/zinc/31/56/49/201315649.db2.gz OEOGPSGEZQDMJO-UHFFFAOYSA-N 0 0 292.379 3.492 10 5 CGBERN O=[N+]([O-])c1ccc2c(c1)ncnc2Nc1ccccc1 ZINC000013745556 368665790 /nfs/dbraw/zinc/66/57/90/368665790.db2.gz FHPNEDYOQKPVMZ-UHFFFAOYSA-N 0 0 266.260 3.282 10 5 CGBERN O=Cc1cc(F)cc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000225516370 189755986 /nfs/dbraw/zinc/75/59/86/189755986.db2.gz MIFCRDJUJGKAIO-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN C[C@H]1C[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000052290395 369466874 /nfs/dbraw/zinc/46/68/74/369466874.db2.gz DNVAPGBRLHKRNC-IMTBSYHQSA-N 0 0 271.114 3.178 10 5 CGBERN Cc1ccc(CN[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000070070234 369778181 /nfs/dbraw/zinc/77/81/81/369778181.db2.gz AMWIRMHHGSZLAM-AWEZNQCLSA-N 0 0 284.315 3.127 10 5 CGBERN C=Cc1nn(Cc2cccc(C)n2)c2cccc([N+](=O)[O-])c12 ZINC000117881410 370600555 /nfs/dbraw/zinc/60/05/55/370600555.db2.gz XYIJHQMXWRXTGE-UHFFFAOYSA-N 0 0 294.314 3.339 10 5 CGBERN CCOC[C@@H](Nc1cccc(C)c1[N+](=O)[O-])C(C)C ZINC000233766356 189820318 /nfs/dbraw/zinc/82/03/18/189820318.db2.gz VMTAYHUXDCWPFP-CYBMUJFWSA-N 0 0 266.341 3.376 10 5 CGBERN CC[C@H](CSC)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000133143731 371230090 /nfs/dbraw/zinc/23/00/90/371230090.db2.gz UBXWICOESLZTNQ-SECBINFHSA-N 0 0 258.318 3.287 10 5 CGBERN Cc1cnc(N(C)Cc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000302734484 373945255 /nfs/dbraw/zinc/94/52/55/373945255.db2.gz VVHHDGRKOWCQFV-UHFFFAOYSA-N 0 0 289.310 3.382 10 5 CGBERN CCn1ccnc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000195516704 376108949 /nfs/dbraw/zinc/10/89/49/376108949.db2.gz FEIFHHJRUWJPSV-UHFFFAOYSA-N 0 0 281.699 3.044 10 5 CGBERN CC[C@H]1C[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000227015564 376377647 /nfs/dbraw/zinc/37/76/47/376377647.db2.gz GUGICDMAZKIDOF-ZANVPECISA-N 0 0 257.293 3.353 10 5 CGBERN CCOc1cccc(N[C@H]2C[C@@H]2CC)c1[N+](=O)[O-] ZINC000231037243 376551348 /nfs/dbraw/zinc/55/13/48/376551348.db2.gz XUXOXTGBXODDKW-ONGXEEELSA-N 0 0 250.298 3.204 10 5 CGBERN CC[C@](C)(CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231676765 376564455 /nfs/dbraw/zinc/56/44/55/376564455.db2.gz YCDVUYMAKYMXPZ-GFCCVEGCSA-N 0 0 272.732 3.211 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1CO ZINC000231675624 376564876 /nfs/dbraw/zinc/56/48/76/376564876.db2.gz IRLXZJLDTIFNRY-KOLCDFICSA-N 0 0 284.743 3.211 10 5 CGBERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000235547526 376643527 /nfs/dbraw/zinc/64/35/27/376643527.db2.gz WHAHXGAZUPBVHO-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN O=[N+]([O-])c1c(F)c(OC(F)F)ccc1C(F)(F)F ZINC000575661622 377938788 /nfs/dbraw/zinc/93/87/88/377938788.db2.gz QOEVKXMMQLEKFF-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(OC(F)F)cc1C(F)(F)F ZINC000575667910 377945012 /nfs/dbraw/zinc/94/50/12/377945012.db2.gz SJFABGVYLKDSIF-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1cc(C(F)F)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575672221 377948254 /nfs/dbraw/zinc/94/82/54/377948254.db2.gz UCWXIFFLNUJGNA-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)c1c(C)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575673169 377948428 /nfs/dbraw/zinc/94/84/28/377948428.db2.gz DXSPROPVJKHZAT-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C ZINC000575674499 377949774 /nfs/dbraw/zinc/94/97/74/377949774.db2.gz RESZPEZSZUTBGF-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CCOC(=O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000575396760 377903805 /nfs/dbraw/zinc/90/38/05/377903805.db2.gz OOLVSZBTFASIPS-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN COc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000575447886 377913616 /nfs/dbraw/zinc/91/36/16/377913616.db2.gz ZSJDAZPTUCFRFJ-UHFFFAOYSA-N 0 0 255.579 3.276 10 5 CGBERN COc1cc(Br)c(C(F)F)cc1[N+](=O)[O-] ZINC000575686173 377961044 /nfs/dbraw/zinc/96/10/44/377961044.db2.gz ONJBVJPXOGHSDJ-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2CCC[C@@H]21 ZINC000408372803 380007527 /nfs/dbraw/zinc/00/75/27/380007527.db2.gz DQYQXIRCAUDRIH-BMIGLBTASA-N 0 0 299.330 3.091 10 5 CGBERN O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccsc2)cc1F ZINC000079064526 285097505 /nfs/dbraw/zinc/09/75/05/285097505.db2.gz LFEQYSUDOBIJJR-UHFFFAOYSA-N 0 0 268.225 3.371 10 5 CGBERN O=[N+]([O-])c1cccc2nc(C(Cl)(Cl)Cl)[nH]c21 ZINC000033976708 285158699 /nfs/dbraw/zinc/15/86/99/285158699.db2.gz FSWYJAAPBBKPTA-UHFFFAOYSA-N 0 0 280.498 3.298 10 5 CGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1ccc(C)o1 ZINC000288118552 197007630 /nfs/dbraw/zinc/00/76/30/197007630.db2.gz LJHVJPVVXGQFPV-SECBINFHSA-N 0 0 278.312 3.194 10 5 CGBERN Cc1ccc(N[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000070530203 392183871 /nfs/dbraw/zinc/18/38/71/392183871.db2.gz UGRIENYHUHBTHK-CYBMUJFWSA-N 0 0 270.288 3.449 10 5 CGBERN Cc1cccc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000091366458 392230833 /nfs/dbraw/zinc/23/08/33/392230833.db2.gz LWQHBFQSHXVSFP-UHFFFAOYSA-N 0 0 253.261 3.447 10 5 CGBERN Cc1cc(CSCc2ccccc2[N+](=O)[O-])no1 ZINC000105626190 392292954 /nfs/dbraw/zinc/29/29/54/392292954.db2.gz FFCPSSIBGUKPON-UHFFFAOYSA-N 0 0 264.306 3.325 10 5 CGBERN CCn1ccnc1CNc1cc([N+](=O)[O-])c(C)cc1C ZINC000123656097 392429990 /nfs/dbraw/zinc/42/99/90/392429990.db2.gz AOYOJHMCYWSSJZ-UHFFFAOYSA-N 0 0 274.324 3.040 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@]23CCOC3)c1 ZINC000375275644 392756907 /nfs/dbraw/zinc/75/69/07/392756907.db2.gz DXIIXODQIVIZGM-CQSZACIVSA-N 0 0 296.754 3.003 10 5 CGBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000575602130 393201836 /nfs/dbraw/zinc/20/18/36/393201836.db2.gz JBNLGYNOVDWUMG-WRWGMCAJSA-N 0 0 282.137 3.218 10 5 CGBERN CCc1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2[nH]1 ZINC000005115129 170067168 /nfs/dbraw/zinc/06/71/68/170067168.db2.gz GDASAFUXVVWOHU-UHFFFAOYSA-N 0 0 259.187 3.052 10 5 CGBERN Cc1cccnc1NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000006969446 170260060 /nfs/dbraw/zinc/26/00/60/170260060.db2.gz XJNXICKIZNIGQL-UHFFFAOYSA-N 0 0 288.332 3.107 10 5 CGBERN CCCCNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000007559251 170290651 /nfs/dbraw/zinc/29/06/51/170290651.db2.gz AVDZFUMPRZZIOM-UHFFFAOYSA-N 0 0 287.772 3.335 10 5 CGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2[nH]1 ZINC000035133727 171999241 /nfs/dbraw/zinc/99/92/41/171999241.db2.gz ITVMCNBDOXBPPW-UHFFFAOYSA-N 0 0 281.271 3.328 10 5 CGBERN O=[N+]([O-])c1cc(NCc2ccc3c(c2)OCO3)ccc1F ZINC000035224015 172068154 /nfs/dbraw/zinc/06/81/54/172068154.db2.gz ZSQHOMXVGUOPRY-UHFFFAOYSA-N 0 0 290.250 3.075 10 5 CGBERN O=C(c1ccsc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000035379433 172161879 /nfs/dbraw/zinc/16/18/79/172161879.db2.gz DWNVCDODPNSYHM-UHFFFAOYSA-N 0 0 272.285 3.369 10 5 CGBERN Cc1ccccc1-c1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000035551772 172258875 /nfs/dbraw/zinc/25/88/75/172258875.db2.gz QSVPBHOAKQZIDX-UHFFFAOYSA-N 0 0 280.287 3.355 10 5 CGBERN CCCN(CCC)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631173 172313280 /nfs/dbraw/zinc/31/32/80/172313280.db2.gz DKQXSRCGNNXGID-LLVKDONJSA-N 0 0 266.341 3.275 10 5 CGBERN Cc1c(COc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000035649582 172326212 /nfs/dbraw/zinc/32/62/12/172326212.db2.gz FDYIRHUPZGTTBK-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN CCC[C@H](Nc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000035763608 172404423 /nfs/dbraw/zinc/40/44/23/172404423.db2.gz ASRJXTOQVXNADX-ZDUSSCGKSA-N 0 0 260.297 3.271 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1Oc1ccccc1CO ZINC000038081222 174090750 /nfs/dbraw/zinc/09/07/50/174090750.db2.gz JBZOEUUYZVVRKA-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN O=[N+]([O-])c1ccc(-n2cncc2-c2ccccc2)cc1 ZINC000039213899 174166065 /nfs/dbraw/zinc/16/60/65/174166065.db2.gz GWXYONHRNZUHBG-UHFFFAOYSA-N 0 0 265.272 3.448 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cccc(F)c2F)o1 ZINC000040230314 174209533 /nfs/dbraw/zinc/20/95/33/174209533.db2.gz HKFTYWOLGMAYSI-UHFFFAOYSA-N 0 0 254.192 3.078 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000219361444 270085671 /nfs/dbraw/zinc/08/56/71/270085671.db2.gz KDMDKGMHVVXEOY-KWQFWETISA-N 0 0 260.297 3.072 10 5 CGBERN CC(C)C(=O)CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444269 519448400 /nfs/dbraw/zinc/44/84/00/519448400.db2.gz ANGKDPXPLNKVGH-UHFFFAOYSA-N 0 0 255.701 3.406 10 5 CGBERN C[C@@H]1CCC[C@@H](Nc2ncnc(Cl)c2[N+](=O)[O-])[C@@H]1C ZINC000050454886 524318343 /nfs/dbraw/zinc/31/83/43/524318343.db2.gz WLVUUVYQLBWOES-IWSPIJDZSA-N 0 0 284.747 3.275 10 5 CGBERN COc1ccc([C@@H]2O[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004758634 560199969 /nfs/dbraw/zinc/19/99/69/560199969.db2.gz CTPLJPLKYKCNAY-GJZGRUSLSA-N 0 0 271.272 3.416 10 5 in-vitro CGBERN CCn1ccnc1COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000111365304 622439678 /nfs/dbraw/zinc/43/96/78/622439678.db2.gz GNTFZRYBGTVCRV-UHFFFAOYSA-N 0 0 281.699 3.044 10 5 CGBERN C/C=C(/C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000151988180 623601378 /nfs/dbraw/zinc/60/13/78/623601378.db2.gz ORSBSLGVEIZTCG-YOOZJCNJSA-N 0 0 263.293 3.474 10 5 CGBERN C[C@@H](O)c1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000192993242 640424540 /nfs/dbraw/zinc/42/45/40/640424540.db2.gz XCOWEFSFNSPIDE-LLVKDONJSA-N 0 0 297.314 3.046 10 5 CGBERN CC[C@@H](C)N(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436848 799693271 /nfs/dbraw/zinc/69/32/71/799693271.db2.gz WAROPBNHXIDQHF-NLYDNYMLSA-N 0 0 276.336 3.255 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnccc1C ZINC000588438271 799693862 /nfs/dbraw/zinc/69/38/62/799693862.db2.gz RIRFATGNDFAPPC-XFXZXTDPSA-N 0 0 297.314 3.340 10 5 CGBERN O=Cc1sc(Oc2ccc([N+](=O)[O-])cc2)nc1Cl ZINC000095935569 185033085 /nfs/dbraw/zinc/03/30/85/185033085.db2.gz WJNWSCNXUYCHDN-UHFFFAOYSA-N 0 0 284.680 3.310 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000015685827 344884670 /nfs/dbraw/zinc/88/46/70/344884670.db2.gz LYBAMBZXDIDHNI-JTQLQIEISA-N 0 0 290.344 3.456 10 5 CGBERN Cc1cccc(NC(=O)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000039025194 344957271 /nfs/dbraw/zinc/95/72/71/344957271.db2.gz JTWJQFKNYKMGCR-UHFFFAOYSA-N 0 0 292.241 3.434 10 5 CGBERN Cc1cc(NC[C@@H]2CCC[C@@H]2O)c(Cl)cc1[N+](=O)[O-] ZINC000080652010 345681245 /nfs/dbraw/zinc/68/12/45/345681245.db2.gz RGYYJFZZKCEGKY-ZANVPECISA-N 0 0 284.743 3.130 10 5 CGBERN CC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000081589647 345714407 /nfs/dbraw/zinc/71/44/07/345714407.db2.gz BLRILOKUNNOHDU-GFCCVEGCSA-N 0 0 274.324 3.385 10 5 CGBERN O=[N+]([O-])CCc1ccc(COc2ccccc2)cc1 ZINC000113992697 345963291 /nfs/dbraw/zinc/96/32/91/345963291.db2.gz UORTWXNFPGWERV-UHFFFAOYSA-N 0 0 257.289 3.085 10 5 CGBERN COC(=O)c1ccc(-c2ccccc2C)c([N+](=O)[O-])c1 ZINC000130011444 346053419 /nfs/dbraw/zinc/05/34/19/346053419.db2.gz RRGGCUPDEFQEFM-UHFFFAOYSA-N 0 0 271.272 3.357 10 5 CGBERN O=[N+]([O-])c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000142170714 346110723 /nfs/dbraw/zinc/11/07/23/346110723.db2.gz MHSAJVXKEZWZSE-UHFFFAOYSA-N 0 0 257.224 3.073 10 5 CGBERN Cc1ccccc1[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000159316796 346167024 /nfs/dbraw/zinc/16/70/24/346167024.db2.gz UXICUACLVWQNOL-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN CC(C)(C)OC(=O)n1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000222150076 346299085 /nfs/dbraw/zinc/29/90/85/346299085.db2.gz FSKGYZIRWAOHDK-UHFFFAOYSA-N 0 0 289.291 3.242 10 5 CGBERN O=[N+]([O-])c1cc(CO)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000514282156 346637911 /nfs/dbraw/zinc/63/79/11/346637911.db2.gz IFEFLCXSPSCCAA-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccc(F)cc1 ZINC000584904529 346723475 /nfs/dbraw/zinc/72/34/75/346723475.db2.gz NIICDOUWMCICCI-UHFFFAOYSA-N 0 0 276.267 3.204 10 5 CGBERN Cc1ccc2nn([C@H](C[N+](=O)[O-])c3ccccc3)cc2c1 ZINC000584626411 346697853 /nfs/dbraw/zinc/69/78/53/346697853.db2.gz KYIMSRBUPKDZQU-MRXNPFEDSA-N 0 0 281.315 3.211 10 5 CGBERN Cc1nnc([C@@H](C)Nc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000273447448 192154727 /nfs/dbraw/zinc/15/47/27/192154727.db2.gz CMPRJHFFYYVMIQ-MRVPVSSYSA-N 0 0 278.337 3.236 10 5 CGBERN Cn1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1 ZINC000302405442 282666152 /nfs/dbraw/zinc/66/61/52/282666152.db2.gz FTGDZZZVCUSEBZ-UHFFFAOYSA-N 0 0 288.090 3.427 10 5 CGBERN Cc1sc(C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000105978142 138353566 /nfs/dbraw/zinc/35/35/66/138353566.db2.gz GIHGWQUXTQSIKD-UHFFFAOYSA-N 0 0 288.328 3.121 10 5 CGBERN Cc1nc(CNc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000301823601 201219187 /nfs/dbraw/zinc/21/91/87/201219187.db2.gz CQWYJQGBEMYUDD-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN CCS[C@@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302035045 201310500 /nfs/dbraw/zinc/31/05/00/201310500.db2.gz LOCCOIQCLPKANO-NWDGAFQWSA-N 0 0 296.392 3.173 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C\c2cn3ccccc3n2)cc1 ZINC000215237980 189692211 /nfs/dbraw/zinc/69/22/11/189692211.db2.gz XRFBTUZBMGMNJQ-DAXSKMNVSA-N 0 0 265.272 3.413 10 5 CGBERN CN1CCOc2c([N+](=O)[O-])c(Cl)c(Cl)c(Cl)c21 ZINC000000160093 368306457 /nfs/dbraw/zinc/30/64/57/368306457.db2.gz QKFFNTZKPMIOQX-UHFFFAOYSA-N 0 0 297.525 3.384 10 5 CGBERN Cc1ccccc1[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000049526272 369406934 /nfs/dbraw/zinc/40/69/34/369406934.db2.gz BUYULFNDHGYJSL-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC(C1CC1)C1CC1 ZINC000052120368 369464532 /nfs/dbraw/zinc/46/45/32/369464532.db2.gz YKYIIOLFYKCZLS-UHFFFAOYSA-N 0 0 250.273 3.334 10 5 CGBERN O=[N+]([O-])c1ccccc1Oc1ccc2n[nH]cc2c1 ZINC000089196754 370038435 /nfs/dbraw/zinc/03/84/35/370038435.db2.gz OQVZAOIMTSAHGA-UHFFFAOYSA-N 0 0 255.233 3.263 10 5 CGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000117578403 370595519 /nfs/dbraw/zinc/59/55/19/370595519.db2.gz HNGVQAIRPBHNJE-BONVTDFDSA-N 0 0 298.298 3.098 10 5 CGBERN Cc1cc(CNc2ncc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000301249649 373710581 /nfs/dbraw/zinc/71/05/81/373710581.db2.gz ASFRDBYNNQGJNH-UHFFFAOYSA-N 0 0 281.699 3.465 10 5 CGBERN Cn1cc(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000302308947 373852291 /nfs/dbraw/zinc/85/22/91/373852291.db2.gz OQJXXAZGLLJTDU-UHFFFAOYSA-N 0 0 287.197 3.139 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCC[C@@H](O)C1 ZINC000302829005 373979207 /nfs/dbraw/zinc/97/92/07/373979207.db2.gz OTVNLQOOWRWNEF-MWLCHTKSSA-N 0 0 284.743 3.272 10 5 CGBERN CC[C@H]1C[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000227015582 376377072 /nfs/dbraw/zinc/37/70/72/376377072.db2.gz GUGICDMAZKIDOF-TVQRCGJNSA-N 0 0 257.293 3.353 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCC[C@H]1CO ZINC000231675630 376564443 /nfs/dbraw/zinc/56/44/43/376564443.db2.gz IRLXZJLDTIFNRY-ONGXEEELSA-N 0 0 284.743 3.211 10 5 CGBERN CC[C@H](NC(=O)N[C@@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090512099 249029310 /nfs/dbraw/zinc/02/93/10/249029310.db2.gz HFFKTJSNBVLEJF-FZMZJTMJSA-N 0 0 293.367 3.390 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(F)(F)F ZINC000575379264 377891415 /nfs/dbraw/zinc/89/14/15/377891415.db2.gz BOEVKTANCWMCRS-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN COc1cc(C(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575652821 377930780 /nfs/dbraw/zinc/93/07/80/377930780.db2.gz VXEYBESBJKHYAE-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN COc1c([N+](=O)[O-])cc(OC(F)F)cc1C(F)(F)F ZINC000575667688 377945276 /nfs/dbraw/zinc/94/52/76/377945276.db2.gz QLPWGGSIJOOHTH-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CCOc1c(C(F)F)ccc(C(C)=O)c1[N+](=O)[O-] ZINC000575667562 377945518 /nfs/dbraw/zinc/94/55/18/377945518.db2.gz QCHPUNXRVGOHBY-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C(F)F ZINC000575670768 377947497 /nfs/dbraw/zinc/94/74/97/377947497.db2.gz BGPGESDZGHIXAC-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(C)c1OC(F)(F)F ZINC000575679262 377952434 /nfs/dbraw/zinc/95/24/34/377952434.db2.gz QSFNKFWROQSOFS-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN COc1ccccc1-c1cc(Cl)c([N+](=O)[O-])cn1 ZINC000575434233 377908950 /nfs/dbraw/zinc/90/89/50/377908950.db2.gz VUJAYONOIBQAGB-UHFFFAOYSA-N 0 0 264.668 3.319 10 5 CGBERN COC(=O)CCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000575448276 377913573 /nfs/dbraw/zinc/91/35/73/377913573.db2.gz OIBZPYSOENKXEN-UHFFFAOYSA-N 0 0 281.308 3.097 10 5 CGBERN O=Cc1ccc(C(F)F)c(Br)c1[N+](=O)[O-] ZINC000575687887 377963263 /nfs/dbraw/zinc/96/32/63/377963263.db2.gz WDXVRGBFHOWZNC-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN C[C@H]1CC(CNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000280934445 195035544 /nfs/dbraw/zinc/03/55/44/195035544.db2.gz AWIPNBMVANIWNZ-IUCAKERBSA-N 0 0 299.758 3.259 10 5 CGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2ccco2)c1 ZINC000192794139 392860447 /nfs/dbraw/zinc/86/04/47/392860447.db2.gz NGDHJVVILGVODE-LBPRGKRZSA-N 0 0 273.292 3.112 10 5 CGBERN C[C@@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000281705410 393353704 /nfs/dbraw/zinc/35/37/04/393353704.db2.gz BFEMLDOFGOYHQZ-ILWJIGKKSA-N 0 0 299.758 3.259 10 5 CGBERN Cc1ccc(-c2ccc(F)c(N)c2F)cc1[N+](=O)[O-] ZINC000675059499 543312151 /nfs/dbraw/zinc/31/21/51/543312151.db2.gz QIZSAZORIFGHKM-UHFFFAOYSA-N 0 0 264.231 3.431 10 5 CGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000003515159 169893372 /nfs/dbraw/zinc/89/33/72/169893372.db2.gz FBLBJILLEMJSIL-LLVKDONJSA-N 0 0 271.272 3.245 10 5 CGBERN O=C(/C=C/c1ccco1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005676659 170127053 /nfs/dbraw/zinc/12/70/53/170127053.db2.gz GXOGCWWCXRJNPS-GQCTYLIASA-N 0 0 292.678 3.493 10 5 CGBERN Cc1nc2ccccc2n1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005942737 170159713 /nfs/dbraw/zinc/15/97/13/170159713.db2.gz TZWBTPMVSVTXCS-UHFFFAOYSA-N 0 0 295.298 3.250 10 5 CGBERN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007271985 170275191 /nfs/dbraw/zinc/27/51/91/170275191.db2.gz SYIDIKCEEXYGOB-SKDRFNHKSA-N 0 0 280.299 3.042 10 5 CGBERN Nc1c2c(nc3cc([N+](=O)[O-])ccc13)-c1ccccc1C2 ZINC000013808507 170596490 /nfs/dbraw/zinc/59/64/90/170596490.db2.gz LUNRQBMZGWSWJN-UHFFFAOYSA-N 0 0 277.283 3.296 10 5 CGBERN COc1ccc(N[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000035122279 171992926 /nfs/dbraw/zinc/99/29/26/171992926.db2.gz AIDZRGPHMWYWOX-JTQLQIEISA-N 0 0 273.292 3.172 10 5 CGBERN Cc1noc(C)c1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000035223795 172068255 /nfs/dbraw/zinc/06/82/55/172068255.db2.gz AUQUAQMKEJYILM-UHFFFAOYSA-N 0 0 261.281 3.120 10 5 CGBERN Cc1nc(CNc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000035223840 172068270 /nfs/dbraw/zinc/06/82/70/172068270.db2.gz QAYZBNKFOPGPDE-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN COc1ccc(CNc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000035224083 172068844 /nfs/dbraw/zinc/06/88/44/172068844.db2.gz LEUYUBZCEOLYKE-UHFFFAOYSA-N 0 0 288.303 3.224 10 5 CGBERN CCN(CC(C)C)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631704 172313894 /nfs/dbraw/zinc/31/38/94/172313894.db2.gz XUGUTLPMNNJKSG-LLVKDONJSA-N 0 0 266.341 3.130 10 5 CGBERN Cc1cc(Oc2nsnc2Cl)ccc1[N+](=O)[O-] ZINC000038082465 174091073 /nfs/dbraw/zinc/09/10/73/174091073.db2.gz GKCURBMYLWDEBX-UHFFFAOYSA-N 0 0 271.685 3.200 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccccc1 ZINC000038082294 174091216 /nfs/dbraw/zinc/09/12/16/174091216.db2.gz XDCUBNOBDCPXBN-UHFFFAOYSA-N 0 0 250.641 3.436 10 5 CGBERN Cc1csc(CNc2ccc(C)cc2[N+](=O)[O-])n1 ZINC000038091747 174105864 /nfs/dbraw/zinc/10/58/64/174105864.db2.gz MGSOIMARFWCHLV-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN COc1ccccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119127 175532907 /nfs/dbraw/zinc/53/29/07/175532907.db2.gz BMBLJJKEEHAXIJ-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN Cc1cc(OC[C@H](O)C(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000382164529 336083429 /nfs/dbraw/zinc/08/34/29/336083429.db2.gz DHJJRZKTLIPUDS-LBPRGKRZSA-N 0 0 287.743 3.342 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)[C@H](C)C(C)C ZINC000061569777 518290791 /nfs/dbraw/zinc/29/07/91/518290791.db2.gz CCNDXQKVIAOXGI-SNVBAGLBSA-N 0 0 264.325 3.278 10 5 CGBERN COCCCCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809933 523106751 /nfs/dbraw/zinc/10/67/51/523106751.db2.gz IAYFHHFRBJJUFH-GFCCVEGCSA-N 0 0 295.335 3.324 10 5 CGBERN Cc1sc(C(=O)N2CCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000102878220 526871665 /nfs/dbraw/zinc/87/16/65/526871665.db2.gz VNIKYNBMNBDIIY-LLVKDONJSA-N 0 0 294.376 3.369 10 5 CGBERN C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000176765209 618695377 /nfs/dbraw/zinc/69/53/77/618695377.db2.gz GTDVQKXQCGODFO-NSHDSACASA-N 0 0 277.320 3.259 10 5 CGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000168619757 618913643 /nfs/dbraw/zinc/91/36/43/618913643.db2.gz QFKMYWHURMBGOY-NSHDSACASA-N 0 0 284.743 3.413 10 5 CGBERN Nc1nc2sc3ccc4ccccc4c3c2c(N)n1 ZINC000032267126 344930442 /nfs/dbraw/zinc/93/04/42/344930442.db2.gz UIHJJQBNKHPRFC-UHFFFAOYSA-N 0 0 266.329 3.162 10 5 CGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078371076 345604544 /nfs/dbraw/zinc/60/45/44/345604544.db2.gz FZPSAGXMGPSJLG-GHMZBOCLSA-N 0 0 262.284 3.136 10 5 CGBERN Nc1c(-c2ccccn2)cc(-c2cccnc2)cc1[N+](=O)[O-] ZINC000102264662 345914820 /nfs/dbraw/zinc/91/48/20/345914820.db2.gz AKAQNNXOVXOFNV-UHFFFAOYSA-N 0 0 292.298 3.301 10 5 CGBERN O=[N+]([O-])CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000113991301 345963143 /nfs/dbraw/zinc/96/31/43/345963143.db2.gz UMFSMVCLIWEGKE-UHFFFAOYSA-N 0 0 261.252 3.437 10 5 CGBERN COC(=O)c1ccc(-c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130011702 346053849 /nfs/dbraw/zinc/05/38/49/346053849.db2.gz QZQYUBVVEQTEJC-UHFFFAOYSA-N 0 0 275.235 3.188 10 5 CGBERN COc1cc(CCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000135848086 346089296 /nfs/dbraw/zinc/08/92/96/346089296.db2.gz IMVHBDHBJAXOAP-UHFFFAOYSA-N 0 0 273.288 3.094 10 5 CGBERN CSc1ccc(Br)c([N+](=O)[O-])c1C ZINC000306912692 346458943 /nfs/dbraw/zinc/45/89/43/346458943.db2.gz NJIJPUJTVJUPIU-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1Cl ZINC000396155478 346579980 /nfs/dbraw/zinc/57/99/80/346579980.db2.gz HBVLVUQSTLHJOX-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN Nc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(F)(F)F ZINC000514264359 346636136 /nfs/dbraw/zinc/63/61/36/346636136.db2.gz UGWVWWNUEGYQFE-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C/S(=O)(=O)c2cccs2)cc1 ZINC000584609928 346691761 /nfs/dbraw/zinc/69/17/61/346691761.db2.gz TYCDYGBPGPGDJY-VQHVLOKHSA-N 0 0 295.341 3.101 10 5 CGBERN C[C@H]1CC(CNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000359934551 233398298 /nfs/dbraw/zinc/39/82/98/233398298.db2.gz SUPMMYXVIOKUMP-UWVGGRQHSA-N 0 0 282.315 3.349 10 5 CGBERN CCN(C)c1cccc(Nc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000301438626 201008379 /nfs/dbraw/zinc/00/83/79/201008379.db2.gz NNDBTUZHZDOFRO-UHFFFAOYSA-N 0 0 286.335 3.498 10 5 CGBERN C[C@@H]1Cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000003093341 368490767 /nfs/dbraw/zinc/49/07/67/368490767.db2.gz BEKLGFINBZJQJQ-SNVBAGLBSA-N 0 0 283.283 3.149 10 5 CGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCO2)c2ccncc21 ZINC000024202775 368828864 /nfs/dbraw/zinc/82/88/64/368828864.db2.gz YGTLUPXMJVXHFL-NSHDSACASA-N 0 0 287.319 3.124 10 5 CGBERN CC(C)(C)OC(=O)n1cc(C=O)c2ccc([N+](=O)[O-])cc21 ZINC000095093480 370174870 /nfs/dbraw/zinc/17/48/70/370174870.db2.gz OXTQFXZJBWGZOL-UHFFFAOYSA-N 0 0 290.275 3.145 10 5 CGBERN CC(C)(C)[C@H](O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000290189495 371929814 /nfs/dbraw/zinc/92/98/14/371929814.db2.gz RNUOMVUHTVXKKA-LLVKDONJSA-N 0 0 273.716 3.034 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])o1 ZINC000173089327 373088203 /nfs/dbraw/zinc/08/82/03/373088203.db2.gz CTBNWZDJHNLEKX-NSHDSACASA-N 0 0 288.303 3.296 10 5 CGBERN O=[N+]([O-])c1cc(CN2CCC[C@]23CCOC3)ccc1Cl ZINC000313009760 374297517 /nfs/dbraw/zinc/29/75/17/374297517.db2.gz OCQSUPDCOXRUCY-CQSZACIVSA-N 0 0 296.754 3.003 10 5 CGBERN CCc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000223977517 376269468 /nfs/dbraw/zinc/26/94/68/376269468.db2.gz RXZBGRUACIUZHN-UHFFFAOYSA-N 0 0 257.293 3.164 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(OC(F)F)c1 ZINC000575338401 377880369 /nfs/dbraw/zinc/88/03/69/377880369.db2.gz XCFULSGFMYVAEN-UHFFFAOYSA-N 0 0 257.114 3.215 10 5 CGBERN O=Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379240 377891548 /nfs/dbraw/zinc/89/15/48/377891548.db2.gz AQPKQSHFFKVRTI-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(C(F)(F)F)c1OC(F)F ZINC000575661086 377937322 /nfs/dbraw/zinc/93/73/22/377937322.db2.gz IMDGQOUNDYTJEL-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)(F)F)c(F)cc1OC(F)F ZINC000575661302 377937369 /nfs/dbraw/zinc/93/73/69/377937369.db2.gz KYFGCNUKCLAEPF-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN CCOc1cc(C(C)=O)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575665709 377942922 /nfs/dbraw/zinc/94/29/22/377942922.db2.gz GSYCASDWSCECHY-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(OC(F)F)c(C(F)(F)F)c1 ZINC000575666005 377943014 /nfs/dbraw/zinc/94/30/14/377943014.db2.gz HTFOTHJCPWWSEG-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000575677768 377952914 /nfs/dbraw/zinc/95/29/14/377952914.db2.gz OXOKIRUNTPEGSU-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CCOc1cc(Br)cc([N+](=O)[O-])c1OCC ZINC000575680758 377954621 /nfs/dbraw/zinc/95/46/21/377954621.db2.gz JVBIIEZDZITVDO-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(C(F)F)c1Br ZINC000575684271 377958948 /nfs/dbraw/zinc/95/89/48/377958948.db2.gz DWRFDVUHDZLHCX-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1c(C(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000575685061 377960236 /nfs/dbraw/zinc/96/02/36/377960236.db2.gz IOZIMASBUXDJSW-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1c(Br)c([N+](=O)[O-])ccc1C(F)F ZINC000575687804 377963251 /nfs/dbraw/zinc/96/32/51/377963251.db2.gz VYKRQZRDKWAOFV-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1cc(C(F)F)c([N+](=O)[O-])cc1Br ZINC000575688222 377963397 /nfs/dbraw/zinc/96/33/97/377963397.db2.gz ZSOONJIWQXLRQI-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCOc1ccc(C(F)(F)F)c(C(C)=O)c1[N+](=O)[O-] ZINC000575699128 377971884 /nfs/dbraw/zinc/97/18/84/377971884.db2.gz QBHVUZAIUPOXNL-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOC(=O)c1c(Cl)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575699891 377972738 /nfs/dbraw/zinc/97/27/38/377972738.db2.gz HGRTZQAAXQUZKC-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1NC1CCCCC1 ZINC000036925890 285117419 /nfs/dbraw/zinc/11/74/19/285117419.db2.gz BCIKAUYGMRIWJI-UHFFFAOYSA-N 0 0 255.705 3.388 10 5 CGBERN O=[N+]([O-])c1cnc(N2C[C@H]3CC=CC[C@@H]3C2)c(Cl)c1 ZINC000301459667 285179538 /nfs/dbraw/zinc/17/95/38/285179538.db2.gz ZSZZLDKVPUKYAW-NXEZZACHSA-N 0 0 279.727 3.046 10 5 CGBERN C[C@H]1CC(CNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000281753192 393354271 /nfs/dbraw/zinc/35/42/71/393354271.db2.gz FDWNVXDWEZFZLU-QWRGUYRKSA-N 0 0 264.325 3.210 10 5 CGBERN CCS[C@H]1CC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000078586434 165136877 /nfs/dbraw/zinc/13/68/77/165136877.db2.gz BARPFVMXAXNFQD-MNOVXSKESA-N 0 0 281.381 3.384 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000078586422 165137299 /nfs/dbraw/zinc/13/72/99/165137299.db2.gz BARPFVMXAXNFQD-QWRGUYRKSA-N 0 0 281.381 3.384 10 5 CGBERN CC[C@H](C)SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035182664 172036332 /nfs/dbraw/zinc/03/63/32/172036332.db2.gz NUDJSHUPPSRZGN-VIFPVBQESA-N 0 0 253.323 3.309 10 5 CGBERN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000035216708 172057603 /nfs/dbraw/zinc/05/76/03/172057603.db2.gz GTAZNPGZRXVRFA-UFBFGSQYSA-N 0 0 270.716 3.228 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NCc1ccccc1F ZINC000035222765 172066559 /nfs/dbraw/zinc/06/65/59/172066559.db2.gz RCJGAQMSPMQJHU-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN C[C@@H](O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000035627097 172306023 /nfs/dbraw/zinc/30/60/23/172306023.db2.gz WEAZHSOTHGWELL-LLVKDONJSA-N 0 0 273.288 3.227 10 5 CGBERN C[C@@H](O)c1ccc(N(C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000035631635 172313508 /nfs/dbraw/zinc/31/35/08/172313508.db2.gz OZGWSBAPSOWIEM-SNVBAGLBSA-N 0 0 264.325 3.027 10 5 CGBERN C[C@H](O)c1ccccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080455 174089937 /nfs/dbraw/zinc/08/99/37/174089937.db2.gz XHJPTKZGLXFYLZ-JTQLQIEISA-N 0 0 259.261 3.440 10 5 CGBERN O=Cc1cc(F)ccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080427 174090078 /nfs/dbraw/zinc/09/00/78/174090078.db2.gz WVYADOODFLXIOB-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN COc1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000038082255 174091092 /nfs/dbraw/zinc/09/10/92/174091092.db2.gz DTBCYGVZNQKEDB-UHFFFAOYSA-N 0 0 280.667 3.444 10 5 CGBERN Cc1ccc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000038097733 174111713 /nfs/dbraw/zinc/11/17/13/174111713.db2.gz DWJYBFCXLWZVBL-SNVBAGLBSA-N 0 0 278.283 3.486 10 5 CGBERN CCCCNc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040595358 174348353 /nfs/dbraw/zinc/34/83/53/174348353.db2.gz FQVZVRJFLQKEDG-UHFFFAOYSA-N 0 0 288.307 3.389 10 5 CGBERN C[C@H](N(C)c1ccc([N+](=O)[O-])cc1C=O)C(C)(C)C ZINC000042770028 174870769 /nfs/dbraw/zinc/87/07/69/174870769.db2.gz WGGNNPAMVKPJBJ-JTQLQIEISA-N 0 0 264.325 3.278 10 5 CGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccsc1 ZINC000103377030 278038371 /nfs/dbraw/zinc/03/83/71/278038371.db2.gz JGIRMHOWKMKRDC-SECBINFHSA-N 0 0 288.328 3.248 10 5 CGBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(C)(C)C ZINC000122448064 290064477 /nfs/dbraw/zinc/06/44/77/290064477.db2.gz AFDSEDNESKGANH-ZETCQYMHSA-N 0 0 268.342 3.151 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1 ZINC000163322911 534316679 /nfs/dbraw/zinc/31/66/79/534316679.db2.gz NITRZZJUGNJODP-QWHCGFSZSA-N 0 0 290.363 3.411 10 5 CGBERN Cc1cc(Oc2cccc([N+](=O)[O-])c2C)nc(Cl)n1 ZINC000052814010 525387628 /nfs/dbraw/zinc/38/76/28/525387628.db2.gz KFTNQJLUCCQVFB-UHFFFAOYSA-N 0 0 279.683 3.447 10 5 CGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC000052841710 525933620 /nfs/dbraw/zinc/93/36/20/525933620.db2.gz MYVDWVLELLTNRJ-SNVBAGLBSA-N 0 0 258.277 3.317 10 5 CGBERN O=[N+]([O-])c1cc(Cl)c(OCCCCO)c(Cl)c1 ZINC000050440583 527330703 /nfs/dbraw/zinc/33/07/03/527330703.db2.gz AHYNDTFFCFETAE-UHFFFAOYSA-N 0 0 280.107 3.053 10 5 CGBERN COC1CC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000311945502 618956048 /nfs/dbraw/zinc/95/60/48/618956048.db2.gz GZHGTLCSRICMKY-UHFFFAOYSA-N 0 0 272.251 3.122 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1CCCC1 ZINC000588435339 799693307 /nfs/dbraw/zinc/69/33/07/799693307.db2.gz UODPALZJTJDBCX-KHPPLWFESA-N 0 0 275.304 3.484 10 5 CGBERN CCC[C@@H](C)CNc1ccc(OC)c([N+](=O)[O-])c1 ZINC000083392028 178398407 /nfs/dbraw/zinc/39/84/07/178398407.db2.gz GPSJGWLPVVLKFB-SNVBAGLBSA-N 0 0 252.314 3.452 10 5 CGBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000591991973 346954097 /nfs/dbraw/zinc/95/40/97/346954097.db2.gz YONNJYMDKYYHQN-QXFUBDJGSA-N 0 0 290.348 3.200 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c([C@H](O)c2ccccc2)c1 ZINC000034157544 344937973 /nfs/dbraw/zinc/93/79/73/344937973.db2.gz PGBMCWWBQMSDMC-CYBMUJFWSA-N 0 0 263.680 3.330 10 5 CGBERN CC/C(=C\c1cc(OC)c(C)cc1OC)[N+](=O)[O-] ZINC000037627707 344952094 /nfs/dbraw/zinc/95/20/94/344952094.db2.gz JRIJFYQGXBCFMT-YRNVUSSQSA-N 0 0 251.282 3.040 10 5 CGBERN O=C(c1cccc2cc3ccccc3nc21)n1ccnc1 ZINC000034524416 344940389 /nfs/dbraw/zinc/94/03/89/344940389.db2.gz CTIMUFUEAPUEQS-UHFFFAOYSA-N 0 0 273.295 3.273 10 5 CGBERN Cc1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000080649615 345681264 /nfs/dbraw/zinc/68/12/64/345681264.db2.gz YGOSKANHFYHUHB-CHWSQXEVSA-N 0 0 258.321 3.306 10 5 CGBERN Cc1cc(N2CCO[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092666180 345851357 /nfs/dbraw/zinc/85/13/57/345851357.db2.gz KDLBVEJPHIFJBD-GJZGRUSLSA-N 0 0 276.336 3.051 10 5 CGBERN CCc1cc(C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000116657364 345979482 /nfs/dbraw/zinc/97/94/82/345979482.db2.gz CEVUBQXRFAVUAR-UHFFFAOYSA-N 0 0 255.273 3.388 10 5 CGBERN COC(=O)c1ccc(-c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000130006865 346053866 /nfs/dbraw/zinc/05/38/66/346053866.db2.gz WPQSDKVSJQPIIM-UHFFFAOYSA-N 0 0 271.272 3.357 10 5 CGBERN O=[N+]([O-])c1cnc2[nH]ccc2c1NC1CCCCC1 ZINC000146909356 346125016 /nfs/dbraw/zinc/12/50/16/346125016.db2.gz DOKZMGONOXODMI-UHFFFAOYSA-N 0 0 260.297 3.216 10 5 CGBERN Cc1ccc(NC(=O)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000165767574 346185594 /nfs/dbraw/zinc/18/55/94/346185594.db2.gz WMVPWGZNCGGQHV-UHFFFAOYSA-N 0 0 285.303 3.225 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(Br)c1OC(F)F ZINC000396042140 346578217 /nfs/dbraw/zinc/57/82/17/346578217.db2.gz QYFJLGICZKFTJE-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN O=[N+]([O-])c1c(Br)ccc(F)c1OC(F)F ZINC000396039029 346578323 /nfs/dbraw/zinc/57/83/23/346578323.db2.gz IJRILAFSJDBTIX-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(SC(F)(F)F)c1F ZINC000396116240 346580184 /nfs/dbraw/zinc/58/01/84/346580184.db2.gz KMEMFQKOQYBJDB-UHFFFAOYSA-N 0 0 259.155 3.485 10 5 CGBERN Cc1cc([N+](=O)[O-])c(Cl)cc1OC(F)(F)F ZINC000396166966 346580599 /nfs/dbraw/zinc/58/05/99/346580599.db2.gz UXHRUJJITDFTIH-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN COc1cc(Oc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000584593201 346686207 /nfs/dbraw/zinc/68/62/07/346686207.db2.gz IGCYCXCZXSLCEE-UHFFFAOYSA-N 0 0 275.260 3.404 10 5 CGBERN Cc1nnc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])s1 ZINC000273439546 192151120 /nfs/dbraw/zinc/15/11/20/192151120.db2.gz BHSSDYJLCRRZNC-ZCFIWIBFSA-N 0 0 282.300 3.067 10 5 CGBERN COC(=O)C(C)(C)C(C)(C)Nc1ccc([N+](=O)[O-])cc1F ZINC000301574227 201076099 /nfs/dbraw/zinc/07/60/99/201076099.db2.gz PMBDBAOBBOXSLN-UHFFFAOYSA-N 0 0 298.314 3.124 10 5 CGBERN CCOc1cc(N[C@@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301752267 201177123 /nfs/dbraw/zinc/17/71/23/201177123.db2.gz BHHIMYFTOANSKE-DGCLKSJQSA-N 0 0 294.351 3.363 10 5 CGBERN CC[C@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302056970 201323832 /nfs/dbraw/zinc/32/38/32/201323832.db2.gz QSCCVWYWHCHOCW-WCQYABFASA-N 0 0 278.352 3.468 10 5 CGBERN C[C@@H](O)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302820765 201565439 /nfs/dbraw/zinc/56/54/39/201565439.db2.gz PVTLLMGDAIKPAV-SNVBAGLBSA-N 0 0 290.294 3.399 10 5 CGBERN O=C(/C=C\c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000032168023 368927528 /nfs/dbraw/zinc/92/75/28/368927528.db2.gz YDJUEIUOYJLVFY-KHPPLWFESA-N 0 0 268.272 3.247 10 5 CGBERN O=Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000033413824 368962987 /nfs/dbraw/zinc/96/29/87/368962987.db2.gz UJIAZEUEXVCGBP-UHFFFAOYSA-N 0 0 287.231 3.059 10 5 CGBERN Cc1ccccc1[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000042316283 369213458 /nfs/dbraw/zinc/21/34/58/369213458.db2.gz MMQJJSMPAVJKAB-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccnc3[nH]ccc32)c(F)c1 ZINC000097758366 370253045 /nfs/dbraw/zinc/25/30/45/370253045.db2.gz MQBWIDXXJFSQOA-UHFFFAOYSA-N 0 0 273.223 3.403 10 5 CGBERN COc1ccc([C@@H](C[N+](=O)[O-])c2ccccc2)cc1 ZINC000117931197 370603033 /nfs/dbraw/zinc/60/30/33/370603033.db2.gz KYAHBXYYPAEIRV-HNNXBMFYSA-N 0 0 257.289 3.104 10 5 CGBERN CC(C)[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149120158 371526187 /nfs/dbraw/zinc/52/61/87/371526187.db2.gz ZKDJWRDFPXATDB-MRVPVSSYSA-N 0 0 270.716 3.023 10 5 CGBERN Cn1cc(Oc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 ZINC000302294759 373849838 /nfs/dbraw/zinc/84/98/38/373849838.db2.gz LYGOAIFDWJQKFD-UHFFFAOYSA-N 0 0 296.286 3.183 10 5 CGBERN O=Cc1cc(F)cc(Oc2ccc([N+](=O)[O-])cc2F)c1 ZINC000225516677 376315167 /nfs/dbraw/zinc/31/51/67/376315167.db2.gz TZFXLWLWZXKEDA-UHFFFAOYSA-N 0 0 279.198 3.478 10 5 CGBERN O=C[C@H](Cc1cccc(Cl)c1)[C@@H](C[N+](=O)[O-])C1CC1 ZINC000225862810 376331054 /nfs/dbraw/zinc/33/10/54/376331054.db2.gz OBCOGRWRJNYHTL-JSGCOSHPSA-N 0 0 281.739 3.001 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000227759938 376409145 /nfs/dbraw/zinc/40/91/45/376409145.db2.gz UEBMMNCCFYUJLI-RYUDHWBXSA-N 0 0 264.325 3.273 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000227759930 376409151 /nfs/dbraw/zinc/40/91/51/376409151.db2.gz UEBMMNCCFYUJLI-NEPJUHHUSA-N 0 0 264.325 3.273 10 5 CGBERN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000227012753 376377468 /nfs/dbraw/zinc/37/74/68/376377468.db2.gz CBECZVJJXZZLTJ-RNCFNFMXSA-N 0 0 257.293 3.353 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)(F)F)cc(C(F)F)c1 ZINC000575345578 377885423 /nfs/dbraw/zinc/88/54/23/377885423.db2.gz BDWMAGWCJQPFAE-UHFFFAOYSA-N 0 0 257.114 3.431 10 5 CGBERN Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575380987 377892460 /nfs/dbraw/zinc/89/24/60/377892460.db2.gz UEVDPILIPKKGSU-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)cc(F)c1C(F)(F)F ZINC000575661700 377938746 /nfs/dbraw/zinc/93/87/46/377938746.db2.gz UMXFRDZECIKDNN-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN COc1cc(C(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575667982 377945241 /nfs/dbraw/zinc/94/52/41/377945241.db2.gz SRRXSRHGNYXAPE-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CC(=O)c1cc(OC(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575667313 377945262 /nfs/dbraw/zinc/94/52/62/377945262.db2.gz PJSABHLAFQVWAU-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)F ZINC000575669040 377946590 /nfs/dbraw/zinc/94/65/90/377946590.db2.gz XMEQYRHZKUJINZ-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1C ZINC000575673234 377948663 /nfs/dbraw/zinc/94/86/63/377948663.db2.gz GMLWGOXRFXJKQI-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CCOC(=O)Cc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575674606 377949445 /nfs/dbraw/zinc/94/94/45/377949445.db2.gz TYOBSYVHCOKHII-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN O=[N+]([O-])c1cc(Cl)c(OC(F)F)c(OC(F)F)c1 ZINC000575677200 377952002 /nfs/dbraw/zinc/95/20/02/377952002.db2.gz RYTWSHQDDNPOLT-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN COc1ccc(Cl)c(Br)c1[N+](=O)[O-] ZINC000575678457 377952389 /nfs/dbraw/zinc/95/23/89/377952389.db2.gz VMGXOAZLZIFJPG-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000575396759 377903920 /nfs/dbraw/zinc/90/39/20/377903920.db2.gz IXWOHKONAVNSSP-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN O=Cc1ccc(Br)c([N+](=O)[O-])c1C(F)F ZINC000575683626 377957756 /nfs/dbraw/zinc/95/77/56/377957756.db2.gz AMYXEABGAFTRAT-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=[N+]([O-])c1cnccc1N[C@H]1CCCc2ccccc21 ZINC000051632644 285188621 /nfs/dbraw/zinc/18/86/21/285188621.db2.gz PNAUKFFKOQXYHD-ZDUSSCGKSA-N 0 0 269.304 3.479 10 5 CGBERN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000177048253 533289943 /nfs/dbraw/zinc/28/99/43/533289943.db2.gz LDJNAVQGTPPHAM-MRVPVSSYSA-N 0 0 294.307 3.286 10 5 CGBERN O=[N+]([O-])c1ccc(NCCC2=CCOCC2)c2ccncc21 ZINC000158122943 392556655 /nfs/dbraw/zinc/55/66/55/392556655.db2.gz HTTQEPYPYKYMRZ-UHFFFAOYSA-N 0 0 299.330 3.292 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(Br)c1Br ZINC000307531257 392652794 /nfs/dbraw/zinc/65/27/94/392652794.db2.gz UEQABEUGWOTWPY-UHFFFAOYSA-N 0 0 298.893 3.259 10 5 CGBERN CSc1c(C)c([N+](=O)[O-])ccc1Br ZINC000307660720 392653925 /nfs/dbraw/zinc/65/39/25/392653925.db2.gz UMYIHZIYMNGDGX-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN C[C@@H]1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000196208526 392975164 /nfs/dbraw/zinc/97/51/64/392975164.db2.gz OGCUASVESUFADR-ZUZCIYMTSA-N 0 0 269.304 3.370 10 5 CGBERN CSc1c(C)cc([N+](=O)[O-])cc1Br ZINC000307018133 397679987 /nfs/dbraw/zinc/67/99/87/397679987.db2.gz QPDJNKDIIJKNIR-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000078585534 165135723 /nfs/dbraw/zinc/13/57/23/165135723.db2.gz CCQNZSIFSSMFDZ-ONGXEEELSA-N 0 0 267.354 3.076 10 5 CGBERN COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000005981793 170165490 /nfs/dbraw/zinc/16/54/90/170165490.db2.gz MXVJQFUHKLOOCR-IHWYPQMZSA-N 0 0 271.272 3.479 10 5 CGBERN CN(Cc1cccs1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000007984981 170311758 /nfs/dbraw/zinc/31/17/58/170311758.db2.gz NPMUCWNWJXVYGK-UHFFFAOYSA-N 0 0 276.317 3.105 10 5 CGBERN CC[C@H](C(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000008196984 170324124 /nfs/dbraw/zinc/32/41/24/170324124.db2.gz OBKCPEINWDJOJV-JTQLQIEISA-N 0 0 291.332 3.184 10 5 CGBERN Cc1ccc(OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035183674 172037054 /nfs/dbraw/zinc/03/70/54/172037054.db2.gz SXIVQNZSTLWYQH-UHFFFAOYSA-N 0 0 271.272 3.165 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1COc1cccc(O)c1 ZINC000035308356 172121722 /nfs/dbraw/zinc/12/17/22/172121722.db2.gz RPEVFJPLTGIJMG-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN CO[C@H]1CCCC[C@@H]1Nc1cccc([N+](=O)[O-])c1C ZINC000037299531 173103864 /nfs/dbraw/zinc/10/38/64/173103864.db2.gz QUGRRHBTJFZMCA-JSGCOSHPSA-N 0 0 264.325 3.273 10 5 CGBERN CC[C@H](C)[C@H](C)Nc1cc([N+](=O)[O-])ccc1OC ZINC000037413935 173191248 /nfs/dbraw/zinc/19/12/48/173191248.db2.gz VDCVPEOPYCEZDD-UWVGGRQHSA-N 0 0 252.314 3.450 10 5 CGBERN CCCNc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] ZINC000040596919 174349378 /nfs/dbraw/zinc/34/93/78/174349378.db2.gz OXTTWUPKHRFHJK-UHFFFAOYSA-N 0 0 287.323 3.259 10 5 CGBERN CCOc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040648641 174364885 /nfs/dbraw/zinc/36/48/85/174364885.db2.gz XPLJRRXOLGZDIB-UHFFFAOYSA-N 0 0 294.698 3.181 10 5 CGBERN CSC1(CNc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000228723747 416522864 /nfs/dbraw/zinc/52/28/64/416522864.db2.gz CGDNALDOPOIGDB-UHFFFAOYSA-N 0 0 270.329 3.432 10 5 CGBERN O=[N+]([O-])c1ccccc1-c1n[nH]cc1C(F)(F)F ZINC000536956851 330383307 /nfs/dbraw/zinc/38/33/07/330383307.db2.gz AMMCIYLMOVWBAT-UHFFFAOYSA-N 0 0 257.171 3.004 10 5 CGBERN C[C@@H]1CC(CNc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000359934550 534147818 /nfs/dbraw/zinc/14/78/18/534147818.db2.gz SUPMMYXVIOKUMP-NXEZZACHSA-N 0 0 282.315 3.349 10 5 CGBERN CC(C)n1cc(Nc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000061683620 519967774 /nfs/dbraw/zinc/96/77/74/519967774.db2.gz NNAXAWVKHJFLFJ-UHFFFAOYSA-N 0 0 264.260 3.255 10 5 CGBERN Cc1ccc(F)c(Nc2ccc([N+](=O)[O-])cc2N)c1 ZINC000052840399 524827364 /nfs/dbraw/zinc/82/73/64/524827364.db2.gz RRFXFBFPYZHJPM-UHFFFAOYSA-N 0 0 261.256 3.368 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC000052840159 525661288 /nfs/dbraw/zinc/66/12/88/525661288.db2.gz IALXDUFEOWTLJF-JTQLQIEISA-N 0 0 257.293 3.350 10 5 CGBERN CC(C)N(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000685948198 570405748 /nfs/dbraw/zinc/40/57/48/570405748.db2.gz AGVCKYRIKRSOGL-UHFFFAOYSA-N 0 0 287.157 3.198 10 5 CGBERN CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152545620 623687423 /nfs/dbraw/zinc/68/74/23/623687423.db2.gz CRARNCHCUWOTDU-MRVPVSSYSA-N 0 0 270.716 3.023 10 5 CGBERN CCn1ccnc1COc1cc([N+](=O)[O-])ccc1Cl ZINC000093307977 640766573 /nfs/dbraw/zinc/76/65/73/640766573.db2.gz UXXNCBFBUYMIPL-UHFFFAOYSA-N 0 0 281.699 3.044 10 5 CGBERN C/C=C\COC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000588445191 799694679 /nfs/dbraw/zinc/69/46/79/799694679.db2.gz RWBINYWMQCJXMA-CSWDMDPZSA-N 0 0 261.277 3.117 10 5 CGBERN COc1ccc(NCCC(C)(C)C)cc1[N+](=O)[O-] ZINC000083392031 178398395 /nfs/dbraw/zinc/39/83/95/178398395.db2.gz GVZZGIVOZSEUNJ-UHFFFAOYSA-N 0 0 252.314 3.452 10 5 CGBERN CC[C@@H](NC(=O)N(C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000176697372 529606120 /nfs/dbraw/zinc/60/61/20/529606120.db2.gz ROHSFAHRAYMSBN-SMDDNHRTSA-N 0 0 293.367 3.486 10 5 CGBERN CCOc1cc(/C=C(\C)[N+](=O)[O-])c(OC)cc1OCC ZINC000037628097 344952150 /nfs/dbraw/zinc/95/21/50/344952150.db2.gz FUIXZNQGNJCNPF-JXMROGBWSA-N 0 0 281.308 3.130 10 5 CGBERN CC(=O)Oc1cc(O)c2c(c1)sc1ccccc1c2=O ZINC000136593555 346091896 /nfs/dbraw/zinc/09/18/96/346091896.db2.gz GCWBUPTWJIZYCY-UHFFFAOYSA-N 0 0 286.308 3.046 10 5 CGBERN O=[N+]([O-])c1ccc(Sc2cc(F)cc(F)c2)cn1 ZINC000149807463 346131883 /nfs/dbraw/zinc/13/18/83/346131883.db2.gz MRDDNEXWYKJNDY-UHFFFAOYSA-N 0 0 268.244 3.419 10 5 CGBERN Nc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000168719128 346191242 /nfs/dbraw/zinc/19/12/42/346191242.db2.gz GFOUCOFEOVIFDR-UHFFFAOYSA-N 0 0 253.261 3.325 10 5 CGBERN COc1ccc(C)c2ncc([N+](=O)[O-])c(Cl)c12 ZINC000304210835 346448871 /nfs/dbraw/zinc/44/88/71/346448871.db2.gz UDMUPRHUBWIQTD-UHFFFAOYSA-N 0 0 252.657 3.113 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(SC(F)(F)F)c1F ZINC000396122734 346580157 /nfs/dbraw/zinc/58/01/57/346580157.db2.gz XGFKASHOUVSVQD-UHFFFAOYSA-N 0 0 259.155 3.485 10 5 CGBERN O=Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1C(F)(F)F ZINC000514279300 346637971 /nfs/dbraw/zinc/63/79/71/346637971.db2.gz LNUMBCUYYLQNBM-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN C=Cc1ccc(CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000584595299 346687076 /nfs/dbraw/zinc/68/70/76/346687076.db2.gz KLIICZARRSZSHZ-UHFFFAOYSA-N 0 0 263.293 3.122 10 5 CGBERN Cc1c2[nH]c3ccc(O)cc3c2cc2c(=O)[nH]ccc12 ZINC000584619883 346695148 /nfs/dbraw/zinc/69/51/48/346695148.db2.gz SRCIRFQVKAPHQW-UHFFFAOYSA-N 0 0 264.284 3.177 10 5 CGBERN Cc1cnc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000230646665 138507151 /nfs/dbraw/zinc/50/71/51/138507151.db2.gz CTNUQLGFRFURJV-SECBINFHSA-N 0 0 295.726 3.395 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301469179 201018797 /nfs/dbraw/zinc/01/87/97/201018797.db2.gz HSOKQOOKJVEMRR-KCJUWKMLSA-N 0 0 268.288 3.343 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301765772 201184548 /nfs/dbraw/zinc/18/45/48/201184548.db2.gz HVGMXXYHEHSYQP-WPRPVWTQSA-N 0 0 285.731 3.013 10 5 CGBERN Cc1ccc(NCc2ccc(F)c(CO)c2)c([N+](=O)[O-])c1 ZINC000301804971 201208979 /nfs/dbraw/zinc/20/89/79/201208979.db2.gz DSUVKMKGEHQYKJ-UHFFFAOYSA-N 0 0 290.294 3.147 10 5 CGBERN Cc1cccc(N[C@@H](C)C2CCOCC2)c1[N+](=O)[O-] ZINC000218868741 376191214 /nfs/dbraw/zinc/19/12/14/376191214.db2.gz FNHYFONAAHYJRJ-NSHDSACASA-N 0 0 264.325 3.130 10 5 CGBERN COc1cc(NCC2(C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000218874010 376191714 /nfs/dbraw/zinc/19/17/14/376191714.db2.gz FKBMZEQENZJWCF-UHFFFAOYSA-N 0 0 280.299 3.345 10 5 CGBERN O=c1cc(C(F)(F)F)oc2ccc(Cl)c([N+](=O)[O-])c12 ZINC000000177625 368310768 /nfs/dbraw/zinc/31/07/68/368310768.db2.gz UXGOGXFZNQILKZ-UHFFFAOYSA-N 0 0 293.584 3.373 10 5 CGBERN COc1cccc2c1cc1c3c(cc(OC)c(O)c32)C(=O)N1 ZINC000014779297 368685725 /nfs/dbraw/zinc/68/57/25/368685725.db2.gz QKAHURDEAZTVNH-UHFFFAOYSA-N 0 0 295.294 3.282 10 5 biogenic,in-vitro CGBERN O=c1c2cc(O)ccc2oc2ccc(Br)cc12 ZINC000073195626 369854592 /nfs/dbraw/zinc/85/45/92/369854592.db2.gz URTCJAGAAPBEKT-UHFFFAOYSA-N 0 0 291.100 3.414 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccnc3cc[nH]c32)c(F)c1 ZINC000089221163 370039566 /nfs/dbraw/zinc/03/95/66/370039566.db2.gz FCCGWNVUKZWTIO-UHFFFAOYSA-N 0 0 273.223 3.403 10 5 CGBERN O=C(OCc1ccccc1)c1cc([N+](=O)[O-])c(F)cc1F ZINC000095081030 370170853 /nfs/dbraw/zinc/17/08/53/370170853.db2.gz AMLPEKLPTWZSRW-UHFFFAOYSA-N 0 0 293.225 3.230 10 5 CGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]3CCCC[C@H]32)nc1 ZINC000301057821 373642664 /nfs/dbraw/zinc/64/26/64/373642664.db2.gz IOYHLYIJLVCNOL-DGCLKSJQSA-N 0 0 261.325 3.149 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCOCc1ccccc1 ZINC000302819422 373973558 /nfs/dbraw/zinc/97/35/58/373973558.db2.gz OGDCDVKOGXNJQK-UHFFFAOYSA-N 0 0 290.294 3.363 10 5 CGBERN CC(C)(C)[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000310710578 374221826 /nfs/dbraw/zinc/22/18/26/374221826.db2.gz KMJVDNSEUQTNDD-LLVKDONJSA-N 0 0 273.716 3.034 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1OC(F)F ZINC000575338395 377881319 /nfs/dbraw/zinc/88/13/19/377881319.db2.gz VEDIHMRBSYHGJA-UHFFFAOYSA-N 0 0 257.114 3.215 10 5 CGBERN CCc1ccc([N+](=O)[O-])c(Br)c1CC ZINC000575681269 377955518 /nfs/dbraw/zinc/95/55/18/377955518.db2.gz VFUSINIWVVGHKE-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN COc1cc(OC(F)F)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575652374 377929428 /nfs/dbraw/zinc/92/94/28/377929428.db2.gz PQGSPXRHFAIJHU-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN CCOc1cc(OCC)c([N+](=O)[O-])cc1Br ZINC000575681159 377955931 /nfs/dbraw/zinc/95/59/31/377955931.db2.gz QANTZKAUSQHHLF-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)F ZINC000575652664 377930854 /nfs/dbraw/zinc/93/08/54/377930854.db2.gz UTMZHJVUSFZLJI-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN CCOc1c(CC)cc([N+](=O)[O-])cc1OC(F)F ZINC000575657217 377933939 /nfs/dbraw/zinc/93/39/39/377933939.db2.gz ZFQVOBPQKUPZJF-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=Cc1c(OC(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575667477 377945371 /nfs/dbraw/zinc/94/53/71/377945371.db2.gz QEPCGCMGZOZAIE-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=Cc1c([N+](=O)[O-])ccc(OC(F)F)c1C(F)(F)F ZINC000575668704 377946299 /nfs/dbraw/zinc/94/62/99/377946299.db2.gz WRKFQVZRIGMTTB-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN COc1cc(OC(F)(F)F)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575671719 377948246 /nfs/dbraw/zinc/94/82/46/377948246.db2.gz LJWZYTCEAQHANT-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1C(F)(F)F ZINC000575674569 377949431 /nfs/dbraw/zinc/94/94/31/377949431.db2.gz RWHXDHXKKKLBEE-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN COc1c(Br)c(Cl)ccc1[N+](=O)[O-] ZINC000575678753 377952992 /nfs/dbraw/zinc/95/29/92/377952992.db2.gz YZDFCGDZHWIWIC-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN COc1ccc(Br)c(C(F)F)c1[N+](=O)[O-] ZINC000575685097 377960318 /nfs/dbraw/zinc/96/03/18/377960318.db2.gz IVHNTIOIHBWZOG-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(C(C)=O)c1C(F)(F)F ZINC000575698667 377971616 /nfs/dbraw/zinc/97/16/16/377971616.db2.gz CRRMTYJPTGDQTI-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN O=[N+]([O-])c1cnc(N[C@H]2COc3ccccc32)c(Cl)c1 ZINC000122710691 285183494 /nfs/dbraw/zinc/18/34/94/285183494.db2.gz OXIJTYBEWPQGBH-NSHDSACASA-N 0 0 291.694 3.189 10 5 CGBERN Cc1ccc(N[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000070530204 392183704 /nfs/dbraw/zinc/18/37/04/392183704.db2.gz UGRIENYHUHBTHK-ZDUSSCGKSA-N 0 0 270.288 3.449 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@H]1c1ccco1 ZINC000302057740 296504350 /nfs/dbraw/zinc/50/43/50/296504350.db2.gz RAJBCHPPRVLGEZ-ZDUSSCGKSA-N 0 0 288.303 3.022 10 5 CGBERN Cc1ccccc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005509221 170105668 /nfs/dbraw/zinc/10/56/68/170105668.db2.gz GAJQEQSISGWEKY-UHFFFAOYSA-N 0 0 256.261 3.156 10 5 CGBERN CCCCOC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005596888 170117744 /nfs/dbraw/zinc/11/77/44/170117744.db2.gz YPBVHPGNRHOGLM-UHFFFAOYSA-N 0 0 252.270 3.252 10 5 CGBERN Cc1cccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000007126172 170268146 /nfs/dbraw/zinc/26/81/46/170268146.db2.gz OMRORJYCLKUNEV-UHFFFAOYSA-N 0 0 274.251 3.295 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)NC2CCCC2)c1 ZINC000007571736 170290914 /nfs/dbraw/zinc/29/09/14/170290914.db2.gz YOHRMCVHXOSSNU-UHFFFAOYSA-N 0 0 299.783 3.477 10 5 CGBERN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000008488814 170337904 /nfs/dbraw/zinc/33/79/04/170337904.db2.gz DQTALSKEUXSKPI-JTQLQIEISA-N 0 0 289.262 3.384 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccncc1 ZINC000015172238 170658627 /nfs/dbraw/zinc/65/86/27/170658627.db2.gz IHLOQTMOZSVDEJ-VIFPVBQESA-N 0 0 288.263 3.071 10 5 CGBERN C[C@H]1Cc2ccccc2N1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000020368624 171166781 /nfs/dbraw/zinc/16/67/81/171166781.db2.gz JXBFAJLRXQBUKZ-NSHDSACASA-N 0 0 282.299 3.490 10 5 CGBERN Cc1cccc(Oc2ccc([N+](=O)[O-])cc2CO)c1 ZINC000020468808 171210801 /nfs/dbraw/zinc/21/08/01/171210801.db2.gz IHCTWSFBCGIJNI-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN COc1ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)oc2c1 ZINC000032066976 171694790 /nfs/dbraw/zinc/69/47/90/171694790.db2.gz UCVJFEDQWUIDKK-UHFFFAOYSA-N 0 0 297.266 3.377 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NCc1ccc(F)c(F)c1 ZINC000035224074 172068599 /nfs/dbraw/zinc/06/85/99/172068599.db2.gz AIVLFCJFBXSEHT-UHFFFAOYSA-N 0 0 294.257 3.494 10 5 CGBERN O=C(c1cccs1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000035369536 172161577 /nfs/dbraw/zinc/16/15/77/172161577.db2.gz GCLHWGSGHNTKRA-UHFFFAOYSA-N 0 0 272.285 3.369 10 5 CGBERN C[C@@H](O)c1cccc(OCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000035627507 172305973 /nfs/dbraw/zinc/30/59/73/172305973.db2.gz LEBIZJOQUVVOHH-SNVBAGLBSA-N 0 0 291.278 3.366 10 5 CGBERN CC[C@H](C)N(CC)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631715 172313556 /nfs/dbraw/zinc/31/35/56/172313556.db2.gz MZIABWSVJJFELP-WDEREUQCSA-N 0 0 266.341 3.273 10 5 CGBERN CCc1ccc(C(=O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000037976882 173933200 /nfs/dbraw/zinc/93/32/00/173933200.db2.gz ITAKUMGEHPPNBR-UHFFFAOYSA-N 0 0 291.328 3.480 10 5 CGBERN CCCNc1ncnc(Nc2cccc(C)c2)c1[N+](=O)[O-] ZINC000040596931 174349428 /nfs/dbraw/zinc/34/94/28/174349428.db2.gz WBGJKYSGKAYEMN-UHFFFAOYSA-N 0 0 287.323 3.259 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1cccc(OC)c1[N+](=O)[O-] ZINC000228854423 270088218 /nfs/dbraw/zinc/08/82/18/270088218.db2.gz SABAKOSJCDRTPE-ONGXEEELSA-N 0 0 250.298 3.204 10 5 CGBERN C[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000052291537 280021284 /nfs/dbraw/zinc/02/12/84/280021284.db2.gz YQWHMMVCURDHRY-QUBYGPBYSA-N 0 0 260.215 3.434 10 5 CGBERN C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000150052743 280068742 /nfs/dbraw/zinc/06/87/42/280068742.db2.gz NBTKPZCNGJHBTM-GMSGAONNSA-N 0 0 290.241 3.203 10 5 CGBERN Cc1cccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000163255334 301952359 /nfs/dbraw/zinc/95/23/59/301952359.db2.gz PIYSZESMGZANTH-RYUDHWBXSA-N 0 0 290.363 3.411 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCCC[C@H]2O)c1 ZINC000167738124 321910365 /nfs/dbraw/zinc/91/03/65/321910365.db2.gz QGFQSVUZJVXUNB-BXUZGUMPSA-N 0 0 264.325 3.009 10 5 CGBERN CC(C)[C@@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)O ZINC000061688594 519795883 /nfs/dbraw/zinc/79/58/83/519795883.db2.gz GSTFRVIODABVIM-JOYOIKCWSA-N 0 0 271.744 3.444 10 5 CGBERN CCc1cccc(Oc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000050454411 521781807 /nfs/dbraw/zinc/78/18/07/521781807.db2.gz MHFWXYGGIFPHKM-UHFFFAOYSA-N 0 0 279.683 3.393 10 5 CGBERN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161520566 523354227 /nfs/dbraw/zinc/35/42/27/523354227.db2.gz WWSWANZGKHZAMP-GHMZBOCLSA-N 0 0 291.351 3.040 10 5 CGBERN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000094773380 525928815 /nfs/dbraw/zinc/92/88/15/525928815.db2.gz CROBDEHUXGVUBL-JTQLQIEISA-N 0 0 278.283 3.486 10 5 CGBERN CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000132804971 529209047 /nfs/dbraw/zinc/20/90/47/529209047.db2.gz GRASNKVDUGGMEK-LLVKDONJSA-N 0 0 291.351 3.326 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000176946615 618767952 /nfs/dbraw/zinc/76/79/52/618767952.db2.gz SXLVKXBMPQUWGA-LLVKDONJSA-N 0 0 286.287 3.216 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1O ZINC000588444630 799695006 /nfs/dbraw/zinc/69/50/06/799695006.db2.gz GQZKKGMTHHZKJU-KHPPLWFESA-N 0 0 298.298 3.342 10 5 CGBERN CC/C=C\COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000588447094 799695277 /nfs/dbraw/zinc/69/52/77/799695277.db2.gz LZGOXUGRZJMWJY-LWTINBJPSA-N 0 0 281.283 3.347 10 5 CGBERN CC[C@H](NC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175978381 529499223 /nfs/dbraw/zinc/49/92/23/529499223.db2.gz SCLCJZVPQMWYGR-ZDUSSCGKSA-N 0 0 293.367 3.391 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)Nc1ccccc1 ZINC000092671782 345851708 /nfs/dbraw/zinc/85/17/08/345851708.db2.gz MZVGWALYIOKMOS-GFCCVEGCSA-N 0 0 286.335 3.211 10 5 CGBERN O=[N+]([O-])c1cc(Cl)c(NCC2CC(O)C2)c(Cl)c1 ZINC000236479029 346340566 /nfs/dbraw/zinc/34/05/66/346340566.db2.gz DXZYEMHDVBNFAW-UHFFFAOYSA-N 0 0 291.134 3.084 10 5 CGBERN CSc1ccc(Br)c([N+](=O)[O-])c1F ZINC000306823603 346458279 /nfs/dbraw/zinc/45/82/79/346458279.db2.gz QUJKDAPCQGKXAW-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1ccc2sc(-c3ccncc3)nc2c1 ZINC000584638519 346701761 /nfs/dbraw/zinc/70/17/61/346701761.db2.gz GYCRRIOIRDZZQH-UHFFFAOYSA-N 0 0 257.274 3.267 10 5 CGBERN CSC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301316623 200973076 /nfs/dbraw/zinc/97/30/76/200973076.db2.gz AEJFPZLVMDCWHN-QMMMGPOBSA-N 0 0 274.773 3.436 10 5 CGBERN O=[N+]([O-])CCc1cccc(OCc2ccccc2)c1 ZINC000002519128 368459967 /nfs/dbraw/zinc/45/99/67/368459967.db2.gz NPOJKVAUXHWGQU-UHFFFAOYSA-N 0 0 257.289 3.085 10 5 CGBERN CCC[C@]1(COC)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000302822149 284085887 /nfs/dbraw/zinc/08/58/87/284085887.db2.gz KMYZHMCUCLQPDQ-OAHLLOKOSA-N 0 0 278.352 3.380 10 5 CGBERN Cc1nn(C)c(N[C@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000048331297 369342898 /nfs/dbraw/zinc/34/28/98/369342898.db2.gz WYDAERIYPNZUID-MRVPVSSYSA-N 0 0 294.742 3.463 10 5 CGBERN COc1ccc(CCNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000052119163 369464014 /nfs/dbraw/zinc/46/40/14/369464014.db2.gz CWIMURUEDVDNIQ-UHFFFAOYSA-N 0 0 290.294 3.397 10 5 CGBERN C[C@H]1SCCN(c2cccc(F)c2[N+](=O)[O-])[C@@H]1C ZINC000134772203 371362763 /nfs/dbraw/zinc/36/27/63/371362763.db2.gz DALUSQPRUAWLOC-RKDXNWHRSA-N 0 0 270.329 3.064 10 5 CGBERN Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000160651557 372263997 /nfs/dbraw/zinc/26/39/97/372263997.db2.gz YVPOYWVXELLKRW-CZUORRHYSA-N 0 0 290.363 3.035 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H](O)c1ccc(F)cc1 ZINC000302825043 373977527 /nfs/dbraw/zinc/97/75/27/373977527.db2.gz XYEAKNTZSURXHK-CQSZACIVSA-N 0 0 294.257 3.019 10 5 CGBERN CC(C)C(CNc1ccc([N+](=O)[O-])cc1C(N)=O)C(C)C ZINC000302832298 373979574 /nfs/dbraw/zinc/97/95/74/373979574.db2.gz RISBKXOHHDCFFJ-UHFFFAOYSA-N 0 0 293.367 3.034 10 5 CGBERN Cc1cc(I)cc([N+](=O)[O-])c1Cl ZINC000306684641 374136346 /nfs/dbraw/zinc/13/63/46/374136346.db2.gz IJUQAONHZSBHSJ-UHFFFAOYSA-N 0 0 297.479 3.161 10 5 CGBERN CSc1cc(Br)cc(F)c1[N+](=O)[O-] ZINC000307270874 374145621 /nfs/dbraw/zinc/14/56/21/374145621.db2.gz QIAGAFRHALTVLO-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336813680 375967241 /nfs/dbraw/zinc/96/72/41/375967241.db2.gz VEHZTAUZFYVRIP-VXNVDRBHSA-N 0 0 278.337 3.200 10 5 CGBERN CCc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000223977678 376269843 /nfs/dbraw/zinc/26/98/43/376269843.db2.gz JZQQGOIQGXZDGA-UHFFFAOYSA-N 0 0 257.293 3.164 10 5 CGBERN CCOc1cc(CC)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575655829 377932646 /nfs/dbraw/zinc/93/26/46/377932646.db2.gz OJVDBDUCUNXZLJ-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)cc(OC(F)(F)F)c1F ZINC000575662008 377938603 /nfs/dbraw/zinc/93/86/03/377938603.db2.gz ZGJRFWRYTZBBQO-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=Cc1cc(OC(F)F)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575665327 377941850 /nfs/dbraw/zinc/94/18/50/377941850.db2.gz CLZNHQDKMKWANR-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN Cc1cc(C(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575668178 377945247 /nfs/dbraw/zinc/94/52/47/377945247.db2.gz RTLIAWJFWMIVIJ-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN Cc1ccc(OC(F)F)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575667295 377945442 /nfs/dbraw/zinc/94/54/42/377945442.db2.gz LUULQLBAKRTQJN-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN Cc1cc(OC(F)F)c([N+](=O)[O-])cc1C(F)F ZINC000575669084 377945882 /nfs/dbraw/zinc/94/58/82/377945882.db2.gz YFTQNUWQLXPJIW-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN O=[N+]([O-])c1c(Cl)c(OC(F)F)ccc1OC(F)F ZINC000575673778 377949534 /nfs/dbraw/zinc/94/95/34/377949534.db2.gz AQRFNWAJIHXHJC-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN CCOC(=O)Cc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000575396754 377903902 /nfs/dbraw/zinc/90/39/02/377903902.db2.gz CXPGURQSTNBAQA-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ccccc2[N+](=O)[O-])nc1Cl ZINC000575434457 377908678 /nfs/dbraw/zinc/90/86/78/377908678.db2.gz ZFYUVNBFAYBGSF-UHFFFAOYSA-N 0 0 279.639 3.218 10 5 CGBERN O=[N+]([O-])c1cccc(-c2ccc([N+](=O)[O-])c(Cl)n2)c1 ZINC000575434147 377908922 /nfs/dbraw/zinc/90/89/22/377908922.db2.gz HXHDCYURJPZJIY-UHFFFAOYSA-N 0 0 279.639 3.218 10 5 CGBERN O=C1c2ccccc2C[N@+]1([O-])c1ccc(Cl)cc1 ZINC000575438581 377911420 /nfs/dbraw/zinc/91/14/20/377911420.db2.gz UVDGFKSRNWUZPE-INIZCTEOSA-N 0 0 260.700 3.391 10 5 CGBERN CCOc1c(C(F)(F)F)ccc([N+](=O)[O-])c1C(C)=O ZINC000575698850 377971747 /nfs/dbraw/zinc/97/17/47/377971747.db2.gz MJHHOSRUIUMKSW-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOc1c([N+](=O)[O-])ccc(C(F)(F)F)c1C(C)=O ZINC000575699922 377972231 /nfs/dbraw/zinc/97/22/31/377972231.db2.gz YORODXMEDRNGGF-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN COC(=O)c1c(Cl)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575712343 377981379 /nfs/dbraw/zinc/98/13/79/377981379.db2.gz FXBRRSGQKYIZBG-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN CC1(C)CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000408414764 380009163 /nfs/dbraw/zinc/00/91/63/380009163.db2.gz HQTHSQAOQYCFMF-UHFFFAOYSA-N 0 0 294.326 3.386 10 5 CGBERN Cc1cc(N2CCCCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000408442845 392973292 /nfs/dbraw/zinc/97/32/92/392973292.db2.gz LRAFPSXBFUPQNL-UHFFFAOYSA-N 0 0 263.341 3.315 10 5 CGBERN CSc1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000307024096 397679926 /nfs/dbraw/zinc/67/99/26/397679926.db2.gz VURMTUXRPOZJHV-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN Nc1c(F)ccc(-c2cccc([N+](=O)[O-])c2)c1F ZINC000675057217 543311536 /nfs/dbraw/zinc/31/15/36/543311536.db2.gz YQNLLYUKSHEJPF-UHFFFAOYSA-N 0 0 250.204 3.122 10 5 CGBERN O=[N+]([O-])c1ccc(Br)c(CN2CCCCC2)c1 ZINC000675056332 543311866 /nfs/dbraw/zinc/31/18/66/543311866.db2.gz HUHCHFCSJXSJQX-UHFFFAOYSA-N 0 0 299.168 3.343 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1C ZINC000005549098 170111947 /nfs/dbraw/zinc/11/19/47/170111947.db2.gz KVCQIXMZLFXAGQ-UHFFFAOYSA-N 0 0 286.287 3.164 10 5 CGBERN Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000005892088 170150718 /nfs/dbraw/zinc/15/07/18/170150718.db2.gz SSTLRZVPJLDOCV-UHFFFAOYSA-N 0 0 290.344 3.360 10 5 CGBERN CC[C@@H]1CCCCN1C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000005984613 170165470 /nfs/dbraw/zinc/16/54/70/170165470.db2.gz LMKGVWKDGGPGBX-GFCCVEGCSA-N 0 0 276.336 3.308 10 5 CGBERN CN(C)C(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000006176779 170180683 /nfs/dbraw/zinc/18/06/83/170180683.db2.gz KLTAWRDFBZYJLN-UHFFFAOYSA-N 0 0 299.330 3.283 10 5 CGBERN COc1cccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000006406007 170199264 /nfs/dbraw/zinc/19/92/64/170199264.db2.gz ZHMUAZAMSZIRRV-CMDGGOBGSA-N 0 0 298.298 3.255 10 5 CGBERN O=c1ccc2cc3c4ccccc4oc3c(CO)c2o1 ZINC000026749307 171498706 /nfs/dbraw/zinc/49/87/06/171498706.db2.gz IUBGKMCZDSRRIO-UHFFFAOYSA-N 0 0 266.252 3.185 10 5 CGBERN COc1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000035137438 172004817 /nfs/dbraw/zinc/00/48/17/172004817.db2.gz XLTYVBDNMZQMQH-UHFFFAOYSA-N 0 0 290.294 3.397 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccccc1 ZINC000035587276 172287301 /nfs/dbraw/zinc/28/73/01/172287301.db2.gz QTEKZVQDUYPYJM-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN C[C@@H](O)c1cccc(OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000035677874 172348564 /nfs/dbraw/zinc/34/85/64/172348564.db2.gz XKTJWLYEEWRIQS-GFCCVEGCSA-N 0 0 287.315 3.270 10 5 CGBERN C[C@H](O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000038080637 174090758 /nfs/dbraw/zinc/09/07/58/174090758.db2.gz AACHQGZTMRQRPS-JTQLQIEISA-N 0 0 259.261 3.440 10 5 CGBERN COc1ccccc1Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000038082308 174091199 /nfs/dbraw/zinc/09/11/99/174091199.db2.gz YXBAYXFKODPCPJ-UHFFFAOYSA-N 0 0 280.667 3.444 10 5 CGBERN CCNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040596317 174348787 /nfs/dbraw/zinc/34/87/87/174348787.db2.gz UXZPFAKLVLVBGZ-UHFFFAOYSA-N 0 0 293.714 3.214 10 5 CGBERN CC(C)N(CC1CC1)c1ccc([N+](=O)[O-])cc1C=O ZINC000042585223 174807766 /nfs/dbraw/zinc/80/77/66/174807766.db2.gz QJBWMTUFJQHVEY-UHFFFAOYSA-N 0 0 262.309 3.032 10 5 CGBERN CCC[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000075378156 176690035 /nfs/dbraw/zinc/69/00/35/176690035.db2.gz RSPLFUYLVCQYNW-QPUJVOFHSA-N 0 0 282.727 3.167 10 5 CGBERN CC[C@H](C)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090073687 260317489 /nfs/dbraw/zinc/31/74/89/260317489.db2.gz UCFVIWLZUBVPOR-GWCFXTLKSA-N 0 0 279.340 3.144 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1cccc(OC)c1[N+](=O)[O-] ZINC000228854435 270088209 /nfs/dbraw/zinc/08/82/09/270088209.db2.gz SABAKOSJCDRTPE-MWLCHTKSSA-N 0 0 250.298 3.204 10 5 CGBERN CC1(C)C[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000148973065 275862671 /nfs/dbraw/zinc/86/26/71/275862671.db2.gz OXHIBOHWQNUQIZ-JTQLQIEISA-N 0 0 268.288 3.103 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301810470 277739943 /nfs/dbraw/zinc/73/99/43/277739943.db2.gz ZUQSGFMLVSEKAA-ZJUUUORDSA-N 0 0 268.288 3.103 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2C1 ZINC000105975680 280658292 /nfs/dbraw/zinc/65/82/92/280658292.db2.gz KDGKVUKQLAZGLF-UHFFFAOYSA-N 0 0 282.299 3.059 10 5 CGBERN CC(C)n1cc(Nc2cccc(F)c2[N+](=O)[O-])cn1 ZINC000061683684 519967364 /nfs/dbraw/zinc/96/73/64/519967364.db2.gz JAVUIFMXAOAUKM-UHFFFAOYSA-N 0 0 264.260 3.255 10 5 CGBERN CC1CCC(OCc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050831956 520963296 /nfs/dbraw/zinc/96/32/96/520963296.db2.gz PUZMQIDNZKSJGI-UHFFFAOYSA-N 0 0 264.325 3.272 10 5 CGBERN CCCC[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000050888913 521006017 /nfs/dbraw/zinc/00/60/17/521006017.db2.gz KUMQLDRFPLKICX-SECBINFHSA-N 0 0 268.288 3.042 10 5 CGBERN CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000050889473 521012011 /nfs/dbraw/zinc/01/20/11/521012011.db2.gz MBXGWEVLMMSPMK-MRVPVSSYSA-N 0 0 264.285 3.122 10 5 CGBERN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000094773379 525732699 /nfs/dbraw/zinc/73/26/99/525732699.db2.gz CROBDEHUXGVUBL-SNVBAGLBSA-N 0 0 278.283 3.486 10 5 CGBERN Cc1sc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000103367421 526872075 /nfs/dbraw/zinc/87/20/75/526872075.db2.gz OOWSUEWTMBYVKO-RKDXNWHRSA-N 0 0 282.365 3.368 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)C1CCCC1 ZINC000070307315 624997566 /nfs/dbraw/zinc/99/75/66/624997566.db2.gz AGUWEJMQXWMRNP-QMMMGPOBSA-N 0 0 276.296 3.122 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 ZINC000588435119 799693776 /nfs/dbraw/zinc/69/37/76/799693776.db2.gz AQGCPZUJGGDOCK-HJWRWDBZSA-N 0 0 289.316 3.093 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128338435 136387365 /nfs/dbraw/zinc/38/73/65/136387365.db2.gz WUVQMBTTZGUNME-CZUORRHYSA-N 0 0 290.363 3.035 10 5 CGBERN CC(C)(C)OC(=O)Nc1c(F)cccc1[N+](=O)[O-] ZINC000038677771 344956422 /nfs/dbraw/zinc/95/64/22/344956422.db2.gz QLZDIUDCESOXQM-UHFFFAOYSA-N 0 0 256.233 3.081 10 5 CGBERN CCOC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1 ZINC000039044379 344957309 /nfs/dbraw/zinc/95/73/09/344957309.db2.gz CBSXTNWVKPICGK-UHFFFAOYSA-N 0 0 271.272 3.439 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc32)cn1 ZINC000073109599 345430893 /nfs/dbraw/zinc/43/08/93/345430893.db2.gz FQPGICQUEVILIT-ZDUSSCGKSA-N 0 0 255.277 3.089 10 5 CGBERN O=[N+]([O-])c1cnc2ccccc2c1NCC[C@@H]1CCCO1 ZINC000130365261 346056908 /nfs/dbraw/zinc/05/69/08/346056908.db2.gz SHWJTMUOIYBUQV-NSHDSACASA-N 0 0 287.319 3.124 10 5 CGBERN CCOC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2O)c1 ZINC000139025907 346098411 /nfs/dbraw/zinc/09/84/11/346098411.db2.gz OZIVDIRPIHLFRK-UHFFFAOYSA-N 0 0 287.271 3.144 10 5 CGBERN CCOC(=O)CCCc1ccc(C)c([N+](=O)[O-])c1C ZINC000139789692 346101623 /nfs/dbraw/zinc/10/16/23/346101623.db2.gz IBDCOYIHQWSJIQ-UHFFFAOYSA-N 0 0 265.309 3.097 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227866425 346312054 /nfs/dbraw/zinc/31/20/54/346312054.db2.gz SUMSRSAQXIQTET-RNCFNFMXSA-N 0 0 272.308 3.139 10 5 CGBERN O=[N+]([O-])c1cc(F)c(Cl)c(Br)c1 ZINC000306738093 346457200 /nfs/dbraw/zinc/45/72/00/346457200.db2.gz AGSLEIPZWRZMNV-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN Nc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000514264281 346636467 /nfs/dbraw/zinc/63/64/67/346636467.db2.gz ASBPFUGWNIWCCY-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN CSc1cccc([N+](=O)[O-])c1/C=C/N1CCCC1 ZINC000584651475 346704885 /nfs/dbraw/zinc/70/48/85/346704885.db2.gz XOJDZJINHYCSFO-JXMROGBWSA-N 0 0 264.350 3.383 10 5 CGBERN CCOC(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000584611607 346692635 /nfs/dbraw/zinc/69/26/35/346692635.db2.gz IYSMNTIUTRQFQC-UHFFFAOYSA-N 0 0 271.272 3.439 10 5 CGBERN O=[N+]([O-])c1cnccc1-c1cccc(Br)c1 ZINC000616568433 348833735 /nfs/dbraw/zinc/83/37/35/348833735.db2.gz AIQRCKYGFSDEET-UHFFFAOYSA-N 0 0 279.093 3.419 10 5 CGBERN CC(=O)Nc1cccc(-c2cc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000090759753 180037207 /nfs/dbraw/zinc/03/72/07/180037207.db2.gz NIBGCVISWPGWHU-UHFFFAOYSA-N 0 0 296.286 3.097 10 5 CGBERN CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000120382243 186896158 /nfs/dbraw/zinc/89/61/58/186896158.db2.gz KBZYCXKLCBNVBH-UHFFFAOYSA-N 0 0 293.666 3.033 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3cccs3)nc2c1 ZINC000105797173 138352944 /nfs/dbraw/zinc/35/29/44/138352944.db2.gz YOLYNQZCWPJPPM-UHFFFAOYSA-N 0 0 288.332 3.187 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(F)cc3)nc2c1 ZINC000105797183 138353036 /nfs/dbraw/zinc/35/30/36/138353036.db2.gz XJFYUTNVUQZQMD-UHFFFAOYSA-N 0 0 286.266 3.222 10 5 CGBERN Cc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000105795601 138353273 /nfs/dbraw/zinc/35/32/73/138353273.db2.gz JIHGWGAJIKVSDJ-UHFFFAOYSA-N 0 0 282.303 3.392 10 5 CGBERN COc1cccc(N[C@H](C)c2ncc(C)o2)c1[N+](=O)[O-] ZINC000235005032 138512928 /nfs/dbraw/zinc/51/29/28/138512928.db2.gz HJGYGVSAQWKAEL-SECBINFHSA-N 0 0 277.280 3.073 10 5 CGBERN CCOc1cc(N[C@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301752264 201176871 /nfs/dbraw/zinc/17/68/71/201176871.db2.gz BHHIMYFTOANSKE-AAEUAGOBSA-N 0 0 294.351 3.363 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NCCC1=CCOCC1 ZINC000301817455 201214644 /nfs/dbraw/zinc/21/46/44/201214644.db2.gz KBPVZWJJVWCVLL-UHFFFAOYSA-N 0 0 282.727 3.397 10 5 CGBERN O=C1c2ncccc2-c2nc3ccccc3c3ccnc1c32 ZINC000000008956 368270686 /nfs/dbraw/zinc/27/06/86/368270686.db2.gz ZDXOEMYOODQSEU-UHFFFAOYSA-N 0 0 283.290 3.389 10 5 CGBERN COc1cc(C=O)ccc1O/C=C/c1ccc([N+](=O)[O-])o1 ZINC000000162098 368306453 /nfs/dbraw/zinc/30/64/53/368306453.db2.gz SOGWACSPDWWJSR-VOTSOKGWSA-N 0 0 289.243 3.059 10 5 CGBERN Cc1nc2ccc3c(Br)cccc3c2c(=O)[nH]1 ZINC000026385959 368858292 /nfs/dbraw/zinc/85/82/92/368858292.db2.gz CRURZVATAJZKIP-UHFFFAOYSA-N 0 0 289.132 3.147 10 5 CGBERN O=[N+]([O-])c1cccc(CN(C2CC2)C(F)(F)F)c1 ZINC000095079185 370170810 /nfs/dbraw/zinc/17/08/10/370170810.db2.gz UQLXDVWUPXHHBQ-UHFFFAOYSA-N 0 0 260.215 3.079 10 5 CGBERN C[C@@H](Cc1cccc(F)c1)Nc1ncccc1[N+](=O)[O-] ZINC000301267359 373720604 /nfs/dbraw/zinc/72/06/04/373720604.db2.gz FXWYIUMZAHUPGT-JTQLQIEISA-N 0 0 275.283 3.172 10 5 CGBERN C[C@@H]1C[C@@H](C)CN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302860370 373986638 /nfs/dbraw/zinc/98/66/38/373986638.db2.gz OVORJQLDBFRWHD-NXEZZACHSA-N 0 0 252.289 3.216 10 5 CGBERN CC[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000336811040 375962746 /nfs/dbraw/zinc/96/27/46/375962746.db2.gz KULCBUFHFNHZDH-VIFPVBQESA-N 0 0 280.353 3.446 10 5 CGBERN Cc1cnc([C@H](C)Nc2cccc(C)c2[N+](=O)[O-])o1 ZINC000235540200 376643567 /nfs/dbraw/zinc/64/35/67/376643567.db2.gz QHUUTWJJMVGMIR-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN O=[N+]([O-])c1c(CO)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575379698 377891661 /nfs/dbraw/zinc/89/16/61/377891661.db2.gz KCALCQLSGQJIMI-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN O=Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379276 377891734 /nfs/dbraw/zinc/89/17/34/377891734.db2.gz CLARYNOBRLEAEC-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(OC(F)F)cc1F ZINC000575661679 377938411 /nfs/dbraw/zinc/93/84/11/377938411.db2.gz SYGRDSJGWSYIQX-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN Cc1c(OC(F)F)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575667519 377945364 /nfs/dbraw/zinc/94/53/64/377945364.db2.gz OGHRNEUSBFHIGA-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CCOC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000575674513 377949682 /nfs/dbraw/zinc/94/96/82/377949682.db2.gz RHZQZGPMZFRKIB-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CC(=O)c1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000575677757 377952408 /nfs/dbraw/zinc/95/24/08/377952408.db2.gz OSTHOIMALYUMDI-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN COc1ccc(-c2cc(Cl)c([N+](=O)[O-])cn2)cc1 ZINC000575433970 377908728 /nfs/dbraw/zinc/90/87/28/377908728.db2.gz AUWKENDKBBDRHI-UHFFFAOYSA-N 0 0 264.668 3.319 10 5 CGBERN CC(=O)c1c(C(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000575685771 377961165 /nfs/dbraw/zinc/96/11/65/377961165.db2.gz MYGTVSVTIWVVKW-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1cc(Cl)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575693545 377968694 /nfs/dbraw/zinc/96/86/94/377968694.db2.gz AJAIJGPNGWPCJK-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC(F)F ZINC000575699469 377972391 /nfs/dbraw/zinc/97/23/91/377972391.db2.gz DMHGBOASDPPODC-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CC1(C)CCCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000408300841 380003859 /nfs/dbraw/zinc/00/38/59/380003859.db2.gz KHAMHNRQOJAJNW-UHFFFAOYSA-N 0 0 294.326 3.386 10 5 CGBERN Cc1cc(O)ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000080359306 177645346 /nfs/dbraw/zinc/64/53/46/177645346.db2.gz CHFUXPOTAYWEII-UHFFFAOYSA-N 0 0 258.277 3.221 10 5 CGBERN CC(=O)Nc1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F ZINC000014984257 391930852 /nfs/dbraw/zinc/93/08/52/391930852.db2.gz PIOFBQYLNVJKCT-UHFFFAOYSA-N 0 0 282.605 3.225 10 5 CGBERN Cc1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000160675044 292137254 /nfs/dbraw/zinc/13/72/54/292137254.db2.gz DWUAQMWCTATVDE-CJNGLKHVSA-N 0 0 290.363 3.035 10 5 CGBERN CCc1nn(C)c(N[C@@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000091561475 165265636 /nfs/dbraw/zinc/26/56/36/165265636.db2.gz JVILOLVAKGTINY-NSHDSACASA-N 0 0 288.351 3.372 10 5 CGBERN O=C(O[C@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000001700484 169744736 /nfs/dbraw/zinc/74/47/36/169744736.db2.gz CZAWBUYDUCGIDG-MGULZYLOSA-N 0 0 275.304 3.330 10 5 CGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC000005869960 170149058 /nfs/dbraw/zinc/14/90/58/170149058.db2.gz NMORLEJKPKPXBK-JTQLQIEISA-N 0 0 289.262 3.384 10 5 CGBERN C[C@@H](NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007123442 170268113 /nfs/dbraw/zinc/26/81/13/170268113.db2.gz KEURSAMMOADJPY-SNVBAGLBSA-N 0 0 288.278 3.225 10 5 CGBERN O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007135572 170268557 /nfs/dbraw/zinc/26/85/57/170268557.db2.gz FPPORYVTXZYFKW-UHFFFAOYSA-N 0 0 296.204 3.264 10 5 CGBERN CC1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000007983304 170311609 /nfs/dbraw/zinc/31/16/09/170311609.db2.gz MLEFWUOZRHLDTF-UHFFFAOYSA-N 0 0 279.296 3.494 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C/c2ccco2)c([N+](=O)[O-])c1 ZINC000033713429 171818897 /nfs/dbraw/zinc/81/88/97/171818897.db2.gz GSRSVSNIHAMBGK-GQCTYLIASA-N 0 0 260.205 3.266 10 5 CGBERN O=Cc1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000034936674 171896608 /nfs/dbraw/zinc/89/66/08/171896608.db2.gz WFJHWQRUHMUWQR-UHFFFAOYSA-N 0 0 268.272 3.102 10 5 CGBERN C[C@H](NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1cccs1 ZINC000035134687 172001718 /nfs/dbraw/zinc/00/17/18/172001718.db2.gz CGHUWZNTJZMOCE-QMMMGPOBSA-N 0 0 294.307 3.286 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1Oc1nsnc1Cl ZINC000038082449 174091145 /nfs/dbraw/zinc/09/11/45/174091145.db2.gz QKBIZAZIVSRYLZ-UHFFFAOYSA-N 0 0 275.648 3.031 10 5 CGBERN CC(C)C[C@H](C)Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000040176553 174201260 /nfs/dbraw/zinc/20/12/60/174201260.db2.gz MDZXIUCFHCCJMW-JTQLQIEISA-N 0 0 251.282 3.221 10 5 CGBERN Cc1ccc(-c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000072236671 176345704 /nfs/dbraw/zinc/34/57/04/176345704.db2.gz HGLPNTDPXSTYEX-UHFFFAOYSA-N 0 0 294.314 3.279 10 5 CGBERN CCOC(=O)c1cnc2c(C)cc([N+](=O)[O-])cc2c1Cl ZINC000072236857 176345765 /nfs/dbraw/zinc/34/57/65/176345765.db2.gz LLNVSWBYBNVENL-UHFFFAOYSA-N 0 0 294.694 3.282 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000231663169 287642927 /nfs/dbraw/zinc/64/29/27/287642927.db2.gz ZRHACZNMHQOMLO-MWLCHTKSSA-N 0 0 250.298 3.204 10 5 CGBERN CC(C)c1cc([N+](=O)[O-])ccc1I ZINC000072194437 278020773 /nfs/dbraw/zinc/02/07/73/278020773.db2.gz QQZGOJBZSKJIKA-UHFFFAOYSA-N 0 0 291.088 3.323 10 5 CGBERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000052291531 279980035 /nfs/dbraw/zinc/98/00/35/279980035.db2.gz YQWHMMVCURDHRY-WKEGUHRASA-N 0 0 260.215 3.434 10 5 CGBERN O=C(Nc1cc(Br)ccc1[N+](=O)[O-])C1CCC1 ZINC000583652964 328727055 /nfs/dbraw/zinc/72/70/55/328727055.db2.gz NBSUGDVPYGPECC-UHFFFAOYSA-N 0 0 299.124 3.096 10 5 CGBERN CC(C)c1cc(=S)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000052304755 519833638 /nfs/dbraw/zinc/83/36/38/519833638.db2.gz IBIYYSKNXYJZSX-UHFFFAOYSA-N 0 0 263.322 3.193 10 5 CGBERN CCNc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000054931132 520278639 /nfs/dbraw/zinc/27/86/39/520278639.db2.gz RAYMNIFWCUBAMI-UHFFFAOYSA-N 0 0 278.699 3.137 10 5 CGBERN CC[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000094771799 535955547 /nfs/dbraw/zinc/95/55/47/535955547.db2.gz WFPDXZLNAFHQMH-JTQLQIEISA-N 0 0 262.313 3.318 10 5 CGBERN Cc1ocnc1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176945404 618767637 /nfs/dbraw/zinc/76/76/37/618767637.db2.gz LZJVGMSUBDORSU-SECBINFHSA-N 0 0 290.275 3.118 10 5 CGBERN Cc1ccc([C@H](C)OC(=O)[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000248292293 640751607 /nfs/dbraw/zinc/75/16/07/640751607.db2.gz WWNFJVZTNMUAGU-UHIISALHSA-N 0 0 293.319 3.075 10 5 CGBERN Cc1ccccc1[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000010810195 344877318 /nfs/dbraw/zinc/87/73/18/344877318.db2.gz ZUVZTAVJHHCWRJ-LLVKDONJSA-N 0 0 299.330 3.175 10 5 CGBERN O=[N+]([O-])c1c(NCC[C@@H]2CCCO2)ccc2ncccc21 ZINC000037998843 344954044 /nfs/dbraw/zinc/95/40/44/344954044.db2.gz CKTTWDPMAPHZIW-NSHDSACASA-N 0 0 287.319 3.124 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1COC ZINC000080653426 345681559 /nfs/dbraw/zinc/68/15/59/345681559.db2.gz GQZUMMJENKJPCS-HZMBPMFUSA-N 0 0 264.325 3.342 10 5 CGBERN O=[N+]([O-])c1cnc2c(cnn2C2CCCC2)c1Cl ZINC000098061933 345910478 /nfs/dbraw/zinc/91/04/78/345910478.db2.gz ZYSVKOALCFJPLW-UHFFFAOYSA-N 0 0 266.688 3.108 10 5 CGBERN CCOP(=O)(OCC)OCc1ccc([N+](=O)[O-])cc1 ZINC000116473650 345978268 /nfs/dbraw/zinc/97/82/68/345978268.db2.gz UZLALDMMYOCUEO-UHFFFAOYSA-N 0 0 289.224 3.293 10 5 CGBERN CCC(C)(C)c1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC000143615065 346114949 /nfs/dbraw/zinc/11/49/49/346114949.db2.gz KJYDUERTYIOMLM-UHFFFAOYSA-N 0 0 250.298 3.241 10 5 CGBERN COc1ccc([N+](=O)[O-])c2cc3ccccc3nc12 ZINC000146548173 346124520 /nfs/dbraw/zinc/12/45/20/346124520.db2.gz TWMQNHJKIKVYOQ-UHFFFAOYSA-N 0 0 254.245 3.305 10 5 CGBERN Cc1c(Cl)c(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000396167912 346580942 /nfs/dbraw/zinc/58/09/42/346580942.db2.gz WJXPSTMKRMSKCO-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(F)(F)F ZINC000514264351 346636496 /nfs/dbraw/zinc/63/64/96/346636496.db2.gz IAXZKZYVDPQXJV-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN COc1nc(Oc2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000584649747 346704494 /nfs/dbraw/zinc/70/44/94/346704494.db2.gz JZBQFEFCQUNKSZ-UHFFFAOYSA-N 0 0 282.202 3.069 10 5 CGBERN O=[N+]([O-])c1ccc(-c2cnc(F)c(C(F)(F)F)c2)cn1 ZINC000584880564 346720691 /nfs/dbraw/zinc/72/06/91/346720691.db2.gz GELHGXMRMCVZNK-UHFFFAOYSA-N 0 0 287.172 3.210 10 5 CGBERN CC(=O)Nc1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000584904522 346723758 /nfs/dbraw/zinc/72/37/58/346723758.db2.gz LOFVVDWQHKWOST-GHMZBOCLSA-N 0 0 291.351 3.036 10 5 CGBERN CC(=O)C[C@@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000584610547 346691855 /nfs/dbraw/zinc/69/18/55/346691855.db2.gz GSGPFCZJDQHLMP-JTQLQIEISA-N 0 0 275.226 3.045 10 5 CGBERN Cc1nc(NCCCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000128954559 187401161 /nfs/dbraw/zinc/40/11/61/187401161.db2.gz NDGUQTKKZKXHQK-UHFFFAOYSA-N 0 0 277.246 3.443 10 5 CGBERN O=[N+]([O-])c1ccc([C@@H]2C[C@H](O)c3ccccc3N2)cc1 ZINC000090711644 180028570 /nfs/dbraw/zinc/02/85/70/180028570.db2.gz YEKWLQFQOAQSBJ-GJZGRUSLSA-N 0 0 270.288 3.185 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C(C)C ZINC000156065245 188241502 /nfs/dbraw/zinc/24/15/02/188241502.db2.gz RZWQLWLZMFUUIQ-SNVBAGLBSA-N 0 0 265.313 3.069 10 5 CGBERN CCOc1cc(N[C@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301752269 201177050 /nfs/dbraw/zinc/17/70/50/201177050.db2.gz BHHIMYFTOANSKE-WCQYABFASA-N 0 0 294.351 3.363 10 5 CGBERN CC[C@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302056407 201324494 /nfs/dbraw/zinc/32/44/94/201324494.db2.gz QSCCVWYWHCHOCW-AAEUAGOBSA-N 0 0 278.352 3.468 10 5 CGBERN COC(=O)c1cccc2oc3ccc(C)cc3c(=O)c21 ZINC000021986438 368811276 /nfs/dbraw/zinc/81/12/76/368811276.db2.gz SQDLFTMEEHQQFC-UHFFFAOYSA-N 0 0 268.268 3.041 10 5 CGBERN COc1ccccc1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000034938844 368980211 /nfs/dbraw/zinc/98/02/11/368980211.db2.gz VGYKQVPAXFRQPZ-UHFFFAOYSA-N 0 0 273.244 3.208 10 5 CGBERN Cc1ccc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])o1 ZINC000037978400 369130784 /nfs/dbraw/zinc/13/07/84/369130784.db2.gz HXDQDHLXVQDAJB-MRVPVSSYSA-N 0 0 292.320 3.379 10 5 CGBERN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000049942999 369424146 /nfs/dbraw/zinc/42/41/46/369424146.db2.gz KGDLYLHASNBRCO-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN Cc1cc(N[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000058544991 369569595 /nfs/dbraw/zinc/56/95/95/369569595.db2.gz RAJAFLBIWZZTRC-CYBMUJFWSA-N 0 0 270.288 3.449 10 5 CGBERN CC(C)(C)[C@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000290081410 371898403 /nfs/dbraw/zinc/89/84/03/371898403.db2.gz JVPYEGQGHDKLDC-LLVKDONJSA-N 0 0 291.706 3.173 10 5 CGBERN CC[C@@H](NC(=O)N[C@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000175614552 373493035 /nfs/dbraw/zinc/49/30/35/373493035.db2.gz HRCLHBATMKAJDL-QMTHXVAHSA-N 0 0 291.351 3.144 10 5 CGBERN CC(C)c1nc(CNc2ncccc2[N+](=O)[O-])cs1 ZINC000301180287 373684615 /nfs/dbraw/zinc/68/46/15/373684615.db2.gz OMEYXAGYUPVEST-UHFFFAOYSA-N 0 0 278.337 3.182 10 5 CGBERN C[C@H](Cc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cn1 ZINC000301284762 373729369 /nfs/dbraw/zinc/72/93/69/373729369.db2.gz MGHQFSNCRONAAD-SNVBAGLBSA-N 0 0 275.283 3.172 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCCNc1ccccn1 ZINC000302789620 373963518 /nfs/dbraw/zinc/96/35/18/373963518.db2.gz FGYCFQZEHWCRDQ-UHFFFAOYSA-N 0 0 290.298 3.043 10 5 CGBERN CC[C@@](C)(CCO)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000311753189 374255166 /nfs/dbraw/zinc/25/51/66/374255166.db2.gz DKPKGACAALAPMZ-ZDUSSCGKSA-N 0 0 270.304 3.005 10 5 CGBERN C[C@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000192468913 375754535 /nfs/dbraw/zinc/75/45/35/375754535.db2.gz KAFHARSSYFALPG-SNVBAGLBSA-N 0 0 293.348 3.069 10 5 CGBERN O=C1Nc2ccccc2[C@@H]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000194126319 375961268 /nfs/dbraw/zinc/96/12/68/375961268.db2.gz NPTUNNLCYCITTC-AWEZNQCLSA-N 0 0 297.314 3.133 10 5 CGBERN CCS[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000230922300 376546533 /nfs/dbraw/zinc/54/65/33/376546533.db2.gz XWWCCLHLMUPUAA-PWSUYJOCSA-N 0 0 281.381 3.384 10 5 CGBERN COc1c(C(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575652512 377929456 /nfs/dbraw/zinc/92/94/56/377929456.db2.gz RHLAUUMSWYCMGG-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN CCOc1cc(CC)cc([N+](=O)[O-])c1OC(F)F ZINC000575654593 377931523 /nfs/dbraw/zinc/93/15/23/377931523.db2.gz DENQLJGUNJACRP-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CC(=O)c1ccc([N+](=O)[O-])c(OC(F)F)c1C(F)(F)F ZINC000575664872 377940992 /nfs/dbraw/zinc/94/09/92/377940992.db2.gz AGDOAQRXVQQKCD-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN CCOc1cc(C(F)F)c([N+](=O)[O-])cc1C(C)=O ZINC000575665668 377943051 /nfs/dbraw/zinc/94/30/51/377943051.db2.gz GASRVKJRNPKHJP-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN COc1cc(OC(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575668056 377945489 /nfs/dbraw/zinc/94/54/89/377945489.db2.gz TUTIPXANBOFAEU-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN COc1c(OC(F)(F)F)cc([N+](=O)[O-])cc1C(F)F ZINC000575671488 377947223 /nfs/dbraw/zinc/94/72/23/377947223.db2.gz LFKFTSDVXGYBHS-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)Cc1cc(C)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575673128 377948283 /nfs/dbraw/zinc/94/82/83/377948283.db2.gz DAXCRBRRSYMBRZ-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN COc1cc(C(F)F)cc([N+](=O)[O-])c1Br ZINC000575684872 377960311 /nfs/dbraw/zinc/96/03/11/377960311.db2.gz HXGYGXMRXVHKLJ-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CC(=O)c1c([N+](=O)[O-])ccc(Br)c1C(F)F ZINC000575687958 377963104 /nfs/dbraw/zinc/96/31/04/377963104.db2.gz WRLPFRHCNDOQGH-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CC(=O)c1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575695888 377969231 /nfs/dbraw/zinc/96/92/31/377969231.db2.gz ULCSBSKCTLXSKW-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1c(OC)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575699800 377972192 /nfs/dbraw/zinc/97/21/92/377972192.db2.gz XDMJBJQMBKQEJZ-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCOC(=O)c1c(OC(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000575700174 377972399 /nfs/dbraw/zinc/97/23/99/377972399.db2.gz KZSRGBMZBAREQI-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCc1c(C(F)(F)F)ccc(C(C)=O)c1[N+](=O)[O-] ZINC000575703656 377976684 /nfs/dbraw/zinc/97/66/84/377976684.db2.gz PGCKJAMLPNJOQY-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575712240 377981363 /nfs/dbraw/zinc/98/13/63/377981363.db2.gz BXJCVYZUTKQWMI-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2c1cccc2O ZINC000050015578 285160840 /nfs/dbraw/zinc/16/08/40/285160840.db2.gz LUJNLYZKPVOBCX-CQSZACIVSA-N 0 0 284.315 3.078 10 5 CGBERN Cc1cc2cc(Br)cnc2c([N+](=O)[O-])c1 ZINC000091301400 392230031 /nfs/dbraw/zinc/23/00/31/392230031.db2.gz QZMOKLLSODDRAH-UHFFFAOYSA-N 0 0 267.082 3.214 10 5 CGBERN CCC[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302077439 392609277 /nfs/dbraw/zinc/60/92/77/392609277.db2.gz YVDOUPZZRVLATP-LBPRGKRZSA-N 0 0 278.352 3.104 10 5 CGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000181127203 392721628 /nfs/dbraw/zinc/72/16/28/392721628.db2.gz SFZHJSGVQYVNGU-JOYOIKCWSA-N 0 0 294.376 3.234 10 5 CGBERN Cc1cc(N2CC[C@@](C)(F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000408114436 392970877 /nfs/dbraw/zinc/97/08/77/392970877.db2.gz DCDSETARJIBNSF-OAHLLOKOSA-N 0 0 289.310 3.390 10 5 CGBERN C[C@H]1CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1 ZINC000003972241 134645443 /nfs/dbraw/zinc/64/54/43/134645443.db2.gz RFWCIJWQGHFULK-LBPRGKRZSA-N 0 0 295.338 3.171 10 5 in-vivo CGBERN Cc1ccc([N+](=O)[O-])c(Oc2nsnc2Cl)c1 ZINC000037981705 292291204 /nfs/dbraw/zinc/29/12/04/292291204.db2.gz DOBUKVLWVSLURL-UHFFFAOYSA-N 0 0 271.685 3.200 10 5 CGBERN CC(C)[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080055670 287062974 /nfs/dbraw/zinc/06/29/74/287062974.db2.gz HMAPCFLJLDZMRO-LLVKDONJSA-N 0 0 293.367 3.174 10 5 CGBERN Cc1cc(OCC(=O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000007580143 170291281 /nfs/dbraw/zinc/29/12/81/170291281.db2.gz PJSPLHUKGKLNOY-UHFFFAOYSA-N 0 0 289.262 3.304 10 5 CGBERN COc1ccc(N[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000035135135 172002163 /nfs/dbraw/zinc/00/21/63/172002163.db2.gz MVVKARUHFDZXBQ-VIFPVBQESA-N 0 0 262.265 3.370 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(NCc2ccc(O)cc2)c1 ZINC000037060287 172924993 /nfs/dbraw/zinc/92/49/93/172924993.db2.gz GTUWBDQHYHXOHU-UHFFFAOYSA-N 0 0 262.240 3.052 10 5 CGBERN CCOc1ccc(NCc2ccc([N+](=O)[O-])o2)cc1 ZINC000037189313 173019148 /nfs/dbraw/zinc/01/91/48/173019148.db2.gz YBYBDGGANXLEBH-UHFFFAOYSA-N 0 0 262.265 3.199 10 5 CGBERN O=[N+]([O-])c1cc(CO)ccc1OCc1ccc(Cl)s1 ZINC000037300200 173106221 /nfs/dbraw/zinc/10/62/21/173106221.db2.gz KINFVFHMMXHMEQ-UHFFFAOYSA-N 0 0 299.735 3.381 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1cc[nH]n1 ZINC000037907447 173839771 /nfs/dbraw/zinc/83/97/71/173839771.db2.gz REBSACUKCWFUJQ-ZETCQYMHSA-N 0 0 266.688 3.144 10 5 CGBERN CCc1ncc(CNc2ccccc2[N+](=O)[O-])s1 ZINC000037924356 173862599 /nfs/dbraw/zinc/86/25/99/173862599.db2.gz WTSAUUPOVFELNF-UHFFFAOYSA-N 0 0 263.322 3.226 10 5 CGBERN Cc1c(Oc2nsnc2Cl)cccc1[N+](=O)[O-] ZINC000038082454 174091140 /nfs/dbraw/zinc/09/11/40/174091140.db2.gz DCGAYBSZCWIVNW-UHFFFAOYSA-N 0 0 271.685 3.200 10 5 CGBERN CCc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000040454809 174267089 /nfs/dbraw/zinc/26/70/89/174267089.db2.gz HMUBTSDTGGHEMH-JTQLQIEISA-N 0 0 272.308 3.120 10 5 CGBERN Cc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1C ZINC000040571161 174338627 /nfs/dbraw/zinc/33/86/27/174338627.db2.gz XMHMAWGEFYMVJS-UHFFFAOYSA-N 0 0 278.699 3.399 10 5 CGBERN CCNc1ncnc(Nc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040589910 174346531 /nfs/dbraw/zinc/34/65/31/174346531.db2.gz HJXLSWFLRGQWIH-UHFFFAOYSA-N 0 0 287.323 3.177 10 5 CGBERN CCOc1ncnc(Nc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000040592212 174347854 /nfs/dbraw/zinc/34/78/54/174347854.db2.gz FSURZOXMCUDQNP-UHFFFAOYSA-N 0 0 288.307 3.144 10 5 CGBERN CCNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040596341 174349002 /nfs/dbraw/zinc/34/90/02/174349002.db2.gz CEUNIMVYSVGZEQ-UHFFFAOYSA-N 0 0 293.714 3.214 10 5 CGBERN CC(C)Nc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000040597784 174349555 /nfs/dbraw/zinc/34/95/55/174349555.db2.gz FVKRKKIKQADGCC-UHFFFAOYSA-N 0 0 293.371 3.340 10 5 CGBERN CC(C)CCNc1ncnc(NCCC(C)C)c1[N+](=O)[O-] ZINC000040660269 174365747 /nfs/dbraw/zinc/36/57/47/174365747.db2.gz PHNDQYATGJMRLT-UHFFFAOYSA-N 0 0 295.387 3.301 10 5 CGBERN CC(C)N(CC(F)(F)F)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000042796338 174881412 /nfs/dbraw/zinc/88/14/12/174881412.db2.gz KMLOPDQISARORN-UHFFFAOYSA-N 0 0 297.664 3.420 10 5 CGBERN Cc1ccncc1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071413630 176159122 /nfs/dbraw/zinc/15/91/22/176159122.db2.gz MUAPNWBXNZORQR-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN Cc1ccc(-c2nn(C)cc2C(F)F)cc1[N+](=O)[O-] ZINC000725270458 544114858 /nfs/dbraw/zinc/11/48/58/544114858.db2.gz NUCMVJGSJPGLGS-UHFFFAOYSA-N 0 0 267.235 3.241 10 5 CGBERN Nc1nnc(-c2cc3c(ccc4ccccc43)oc2=O)s1 ZINC000000273961 274967060 /nfs/dbraw/zinc/96/70/60/274967060.db2.gz LZUYOBPODMYXRL-UHFFFAOYSA-N 0 0 295.323 3.047 10 5 CGBERN CCc1cc(Br)c([N+](=O)[O-])c2cccnc12 ZINC000098178125 276660340 /nfs/dbraw/zinc/66/03/40/276660340.db2.gz VDTPZCJPWHLMTG-UHFFFAOYSA-N 0 0 281.109 3.468 10 5 CGBERN Cc1cc(N[C@H]2C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000301992988 278735307 /nfs/dbraw/zinc/73/53/07/278735307.db2.gz GNNKMKGAECDFRO-KCJUWKMLSA-N 0 0 257.293 3.272 10 5 CGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC000299890035 280161275 /nfs/dbraw/zinc/16/12/75/280161275.db2.gz SQMNKTWAOAXXGS-UHFFFAOYSA-N 0 0 287.115 3.359 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3cccc(Cl)n3)c2c1 ZINC000211513626 280370120 /nfs/dbraw/zinc/37/01/20/280370120.db2.gz IQWZVQCTCBUDIT-UHFFFAOYSA-N 0 0 274.667 3.187 10 5 CGBERN CCOc1cc(N[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000111046116 520764678 /nfs/dbraw/zinc/76/46/78/520764678.db2.gz JXRDVQUKIMXCEO-JTQLQIEISA-N 0 0 252.314 3.450 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NCCC(C)(C)C ZINC000060941508 522981664 /nfs/dbraw/zinc/98/16/64/522981664.db2.gz QJKCURAVTILTGG-UHFFFAOYSA-N 0 0 252.314 3.452 10 5 CGBERN Cc1cc(N[C@H](C)c2cc[nH]n2)c([N+](=O)[O-])cc1C ZINC000050439113 525300481 /nfs/dbraw/zinc/30/04/81/525300481.db2.gz NVUPUVVNCDSPRO-SNVBAGLBSA-N 0 0 260.297 3.108 10 5 CGBERN Cc1c(C[C@H](C(C)C)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000061688693 525737689 /nfs/dbraw/zinc/73/76/89/525737689.db2.gz CYVADNROXWOEOS-DGCLKSJQSA-N 0 0 251.326 3.099 10 5 CGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2cccs2)c1 ZINC000050517591 527151108 /nfs/dbraw/zinc/15/11/08/527151108.db2.gz YEBZLXOSBPLLMW-UHFFFAOYSA-N 0 0 263.274 3.048 10 5 CGBERN O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[C@@H]1CCCO1 ZINC000236171889 618845740 /nfs/dbraw/zinc/84/57/40/618845740.db2.gz GNKKRNJZZIVIJG-QMMMGPOBSA-N 0 0 288.706 3.368 10 5 CGBERN Cc1cnc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000220952102 619444857 /nfs/dbraw/zinc/44/48/57/619444857.db2.gz RWPUGUWKPAMUBT-SECBINFHSA-N 0 0 295.726 3.395 10 5 CGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000126290096 634952729 /nfs/dbraw/zinc/95/27/29/634952729.db2.gz WWNFJVZTNMUAGU-MJVIPROJSA-N 0 0 293.319 3.075 10 5 CGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139431993 637723417 /nfs/dbraw/zinc/72/34/17/637723417.db2.gz UEKPIYUFYFXREW-KCJUWKMLSA-N 0 0 282.727 3.167 10 5 CGBERN CCCCCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436249 799693762 /nfs/dbraw/zinc/69/37/62/799693762.db2.gz YONMVJXFAWSUQR-QXMHVHEDSA-N 0 0 276.336 3.305 10 5 CGBERN CC[C@@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445197 799694712 /nfs/dbraw/zinc/69/47/12/799694712.db2.gz SPDYVLKSONHPBW-DWOQACPDSA-N 0 0 263.293 3.340 10 5 CGBERN CCSCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445100 799695069 /nfs/dbraw/zinc/69/50/69/799695069.db2.gz FFHRVIHZPLXAHI-KHPPLWFESA-N 0 0 295.360 3.294 10 5 CGBERN Cc1cccnc1/C=C\C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000588451292 799696180 /nfs/dbraw/zinc/69/61/80/799696180.db2.gz ZZAKKZDHNDQMCO-HJWRWDBZSA-N 0 0 298.298 3.055 10 5 CGBERN COc1cccc2cc([C@H](O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000095848994 185029349 /nfs/dbraw/zinc/02/93/49/185029349.db2.gz QOSOLPHYDKDOFL-OAHLLOKOSA-N 0 0 299.282 3.431 10 5 CGBERN CC(=O)Nc1ccc2c3c(cc4cccnc42)CCc31 ZINC000039000671 344957158 /nfs/dbraw/zinc/95/71/58/344957158.db2.gz FEMLJVCTKDGVFG-UHFFFAOYSA-N 0 0 262.312 3.445 10 5 CGBERN COc1cccc(NC(=S)c2ccc([N+](=O)[O-])cc2)c1 ZINC000038981435 344957346 /nfs/dbraw/zinc/95/73/46/344957346.db2.gz OXXGARLJESEIHD-UHFFFAOYSA-N 0 0 288.328 3.391 10 5 CGBERN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000037379075 344950140 /nfs/dbraw/zinc/95/01/40/344950140.db2.gz FFTAJQXHUVKMBA-YGRLFVJLSA-N 0 0 287.319 3.122 10 5 CGBERN CC(=O)c1ccc(Oc2cc(C)c([N+](=O)[O-])cn2)cc1F ZINC000080601152 345679663 /nfs/dbraw/zinc/67/96/63/345679663.db2.gz UBLCPKKQIBSIQN-UHFFFAOYSA-N 0 0 290.250 3.432 10 5 CGBERN O=[N+]([O-])c1cc(F)c(F)cc1NCc1cncc(F)c1 ZINC000113821081 345961992 /nfs/dbraw/zinc/96/19/92/345961992.db2.gz UBDVTDLQUSJHPZ-UHFFFAOYSA-N 0 0 283.209 3.019 10 5 CGBERN O=[N+]([O-])c1c(F)cc(OCc2ccccc2)cc1F ZINC000115896850 345974153 /nfs/dbraw/zinc/97/41/53/345974153.db2.gz MPQGGVKPKZVWFC-UHFFFAOYSA-N 0 0 265.215 3.452 10 5 CGBERN CCn1ncc(Br)c1-c1cccc([N+](=O)[O-])c1 ZINC000165940901 346185655 /nfs/dbraw/zinc/18/56/55/346185655.db2.gz JDONHHGMTRJKKJ-UHFFFAOYSA-N 0 0 296.124 3.241 10 5 CGBERN C[C@@H](Nc1ccc(N)c([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000312587028 346477376 /nfs/dbraw/zinc/47/73/76/346477376.db2.gz WNTJWTDTMNDRSB-MRVPVSSYSA-N 0 0 292.726 3.399 10 5 CGBERN O=Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000514279401 346637983 /nfs/dbraw/zinc/63/79/83/346637983.db2.gz LBHNVQAMZUMULD-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN Cc1ccc(-c2ccc([N+](=O)[O-])nc2)c2c1CCCN2 ZINC000584882686 346721548 /nfs/dbraw/zinc/72/15/48/346721548.db2.gz YACJAXQPOQOHQC-UHFFFAOYSA-N 0 0 269.304 3.323 10 5 CGBERN CC(C)(C)OC(=O)n1ccc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584619356 346695131 /nfs/dbraw/zinc/69/51/31/346695131.db2.gz MEQSJOPVPHNMSW-UHFFFAOYSA-N 0 0 289.291 3.242 10 5 CGBERN CCCOc1cc(N[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000104239986 185941269 /nfs/dbraw/zinc/94/12/69/185941269.db2.gz NPZWXEIPGAXYLZ-GXSJLCMTSA-N 0 0 250.298 3.204 10 5 CGBERN COC(=O)c1cc(-c2ccc(C)cc2F)cc([N+](=O)[O-])c1 ZINC000091252344 180114713 /nfs/dbraw/zinc/11/47/13/180114713.db2.gz WUSFDDCYMAGBBK-UHFFFAOYSA-N 0 0 289.262 3.496 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301469178 201019990 /nfs/dbraw/zinc/01/99/90/201019990.db2.gz HSOKQOOKJVEMRR-GZMMTYOYSA-N 0 0 268.288 3.343 10 5 CGBERN CCSC[C@H](C)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000301746968 201174199 /nfs/dbraw/zinc/17/41/99/201174199.db2.gz QNFOLHRZLNQAIU-VIFPVBQESA-N 0 0 272.345 3.312 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[C@H](OC)C2)c1 ZINC000301781505 201193339 /nfs/dbraw/zinc/19/33/39/201193339.db2.gz NPFWGALKVDMVCZ-UWVGGRQHSA-N 0 0 298.314 3.112 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302035046 201310615 /nfs/dbraw/zinc/31/06/15/201310615.db2.gz LOCCOIQCLPKANO-RYUDHWBXSA-N 0 0 296.392 3.173 10 5 CGBERN CC(C)(C)NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000033373965 368963263 /nfs/dbraw/zinc/96/32/63/368963263.db2.gz BCPWXKPVYHIBTH-DAXSKMNVSA-N 0 0 282.727 3.176 10 5 CGBERN CCOc1cccc(N[C@@H]2C[C@H]2CC)c1[N+](=O)[O-] ZINC000231037245 189812677 /nfs/dbraw/zinc/81/26/77/189812677.db2.gz XUXOXTGBXODDKW-MWLCHTKSSA-N 0 0 250.298 3.204 10 5 CGBERN COC(C)(C)C[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000148997403 371526002 /nfs/dbraw/zinc/52/60/02/371526002.db2.gz SEADQBZZUKQNEU-VIFPVBQESA-N 0 0 270.304 3.349 10 5 CGBERN COc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000148998716 371526386 /nfs/dbraw/zinc/52/63/86/371526386.db2.gz UTOCATHDNGYPPW-UHFFFAOYSA-N 0 0 294.257 3.494 10 5 CGBERN Cc1cc(N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000160651715 372264750 /nfs/dbraw/zinc/26/47/50/372264750.db2.gz YVPOYWVXELLKRW-CJNGLKHVSA-N 0 0 290.363 3.035 10 5 CGBERN COC(=O)c1cc(N2C[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301955978 373813993 /nfs/dbraw/zinc/81/39/93/373813993.db2.gz MAQHKKVUAGKHFU-GHMZBOCLSA-N 0 0 292.335 3.006 10 5 CGBERN Cc1cnc([C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])o1 ZINC000226547330 376363360 /nfs/dbraw/zinc/36/33/60/376363360.db2.gz RMKGOGYWQAXUAL-ZETCQYMHSA-N 0 0 282.687 3.113 10 5 CGBERN Cc1cnc([C@@H](C)Nc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000226547031 376363382 /nfs/dbraw/zinc/36/33/82/376363382.db2.gz OYFOCUHEALUESB-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN CCc1ccc(CNc2nccc(C)c2[N+](=O)[O-])cc1 ZINC000227115826 376382055 /nfs/dbraw/zinc/38/20/55/376382055.db2.gz KIQKLYXSSLRXNB-UHFFFAOYSA-N 0 0 271.320 3.473 10 5 CGBERN C[C@H]1CC(CNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000343045881 377887164 /nfs/dbraw/zinc/88/71/64/377887164.db2.gz PAFIVACCPNPDBD-UWVGGRQHSA-N 0 0 282.315 3.349 10 5 CGBERN O=[N+]([O-])c1c(OC(F)F)cc(F)cc1C(F)(F)F ZINC000575661666 377938656 /nfs/dbraw/zinc/93/86/56/377938656.db2.gz SEXOXDYULPZHKL-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CCOC(=O)Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000575396764 377903642 /nfs/dbraw/zinc/90/36/42/377903642.db2.gz ZGLWGVPIXZFDDL-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@+](C)([O-])CC3 ZINC000575418389 377906305 /nfs/dbraw/zinc/90/63/05/377906305.db2.gz MGJJSTRKGXVSLY-JCHJZTRSSA-N 0 0 288.411 3.287 10 5 CGBERN CCOc1c(F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575697798 377970323 /nfs/dbraw/zinc/97/03/23/377970323.db2.gz MHPVYZBVYAUFGG-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1c([N+](=O)[O-])ccc(C(F)(F)F)c1OC ZINC000575698752 377971578 /nfs/dbraw/zinc/97/15/78/377971578.db2.gz IJCBDUUTVMJQCL-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCOc1cc(C(F)(F)F)cc([N+](=O)[O-])c1OC ZINC000575699776 377972370 /nfs/dbraw/zinc/97/23/70/377972370.db2.gz WXVACDHHRGNJEG-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN C[C@@H]1CC(CNc2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000280934450 195035805 /nfs/dbraw/zinc/03/58/05/195035805.db2.gz AWIPNBMVANIWNZ-RKDXNWHRSA-N 0 0 299.758 3.259 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3cnc(Cl)s3)c2c1 ZINC000211508547 285141366 /nfs/dbraw/zinc/14/13/66/285141366.db2.gz JNUKWBJLPQRNIO-UHFFFAOYSA-N 0 0 280.696 3.248 10 5 CGBERN O=[N+]([O-])c1cccnc1N[C@H]1CCCc2ccccc21 ZINC000025369300 296518123 /nfs/dbraw/zinc/51/81/23/296518123.db2.gz AOFMBHPGTYAGNO-ZDUSSCGKSA-N 0 0 269.304 3.479 10 5 CGBERN CCS[C@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000078586412 165135424 /nfs/dbraw/zinc/13/54/24/165135424.db2.gz BBZKLBPFUBATFW-ZJUUUORDSA-N 0 0 267.354 3.076 10 5 CGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCCC[C@H]1O ZINC000086016417 165183117 /nfs/dbraw/zinc/18/31/17/165183117.db2.gz MFNAMECMMKFTQX-BXKDBHETSA-N 0 0 284.743 3.211 10 5 CGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1 ZINC000007066010 170265738 /nfs/dbraw/zinc/26/57/38/170265738.db2.gz UAEZXQYGMJBCNX-LBPRGKRZSA-N 0 0 284.315 3.428 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000007903829 170306980 /nfs/dbraw/zinc/30/69/80/170306980.db2.gz RLQNFSCFOGMEAY-MRVPVSSYSA-N 0 0 277.236 3.269 10 5 CGBERN CCC(C)(C)Oc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000020516944 171232731 /nfs/dbraw/zinc/23/27/31/171232731.db2.gz STVGCRYICFHLPO-UHFFFAOYSA-N 0 0 251.282 3.365 10 5 CGBERN COc1cccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000034936677 171896780 /nfs/dbraw/zinc/89/67/80/171896780.db2.gz UTFQJZDEPUDGJK-UHFFFAOYSA-N 0 0 273.244 3.208 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000035207735 172052874 /nfs/dbraw/zinc/05/28/74/172052874.db2.gz RMARETDTEMFMLD-SECBINFHSA-N 0 0 257.293 3.353 10 5 CGBERN C[C@H](O)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000035632292 172315007 /nfs/dbraw/zinc/31/50/07/172315007.db2.gz PKXPLKLPZDVWAN-JTQLQIEISA-N 0 0 259.261 3.440 10 5 CGBERN CC(C)C[C@H](C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037265559 173073966 /nfs/dbraw/zinc/07/39/66/173073966.db2.gz UQWVLRBWHDSREP-QMMMGPOBSA-N 0 0 257.721 3.490 10 5 CGBERN O=C(CSc1ccc(F)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000037354017 173147123 /nfs/dbraw/zinc/14/71/23/173147123.db2.gz YFHOOTOFDUGLSK-UHFFFAOYSA-N 0 0 280.280 3.037 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(COC[C@H]2CCCCO2)c1 ZINC000037404148 173180080 /nfs/dbraw/zinc/18/00/80/173180080.db2.gz WQLIJFMBEMZEDC-GFCCVEGCSA-N 0 0 285.727 3.334 10 5 CGBERN Cc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])c(C)c1 ZINC000040571249 174338307 /nfs/dbraw/zinc/33/83/07/174338307.db2.gz VHNJUEBCDXCRSS-UHFFFAOYSA-N 0 0 278.699 3.399 10 5 CGBERN CCCCNc1ncnc(NCCC(C)C)c1[N+](=O)[O-] ZINC000040595385 174348403 /nfs/dbraw/zinc/34/84/03/174348403.db2.gz DKBXDHYTZUEKST-UHFFFAOYSA-N 0 0 281.360 3.055 10 5 CGBERN Cc1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c1 ZINC000040597527 174349339 /nfs/dbraw/zinc/34/93/39/174349339.db2.gz KPHLXUZFSIPLGR-UHFFFAOYSA-N 0 0 287.323 3.257 10 5 CGBERN CC(C)n1ccnc1CSc1ccc([N+](=O)[O-])cn1 ZINC000159647141 321837810 /nfs/dbraw/zinc/83/78/10/321837810.db2.gz RVKJWPXEWRGBSR-UHFFFAOYSA-N 0 0 278.337 3.060 10 5 CGBERN CCCN(c1ccc([N+](=O)[O-])cc1C(C)=O)C(C)C ZINC000061569719 521697132 /nfs/dbraw/zinc/69/71/32/521697132.db2.gz XJZPOOUHECNCFX-UHFFFAOYSA-N 0 0 264.325 3.422 10 5 CGBERN C[C@@H](Cc1cccs1)Nc1ccncc1[N+](=O)[O-] ZINC000066808453 524934342 /nfs/dbraw/zinc/93/43/42/524934342.db2.gz LZBKKDAWWHEFKX-VIFPVBQESA-N 0 0 263.322 3.094 10 5 CGBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000049146453 619703675 /nfs/dbraw/zinc/70/36/75/619703675.db2.gz LDXWNQGJSWYKPQ-JTQLQIEISA-N 0 0 267.285 3.350 10 5 CGBERN C[C@@H]1C[C@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730599 625705594 /nfs/dbraw/zinc/70/55/94/625705594.db2.gz ZRELWLOUCFRMQR-HTRCEHHLSA-N 0 0 271.114 3.178 10 5 CGBERN CCOC(=O)/C=C(/C)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000757193056 630588391 /nfs/dbraw/zinc/58/83/91/630588391.db2.gz YAEFZKUYYHTBJK-VURMDHGXSA-N 0 0 269.684 3.215 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cn1 ZINC000588435832 799693524 /nfs/dbraw/zinc/69/35/24/799693524.db2.gz GSMLUUHHSKATRW-XFXZXTDPSA-N 0 0 297.314 3.340 10 5 CGBERN CC(C)=CCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588582236 799717078 /nfs/dbraw/zinc/71/70/78/799717078.db2.gz HCEMPXMHJSAVAY-BENRWUELSA-N 0 0 274.320 3.081 10 5 CGBERN CCC(CC)CNc1ccc(OC)c([N+](=O)[O-])c1 ZINC000083392032 178398503 /nfs/dbraw/zinc/39/85/03/178398503.db2.gz IYOMCKQBOIFHGK-UHFFFAOYSA-N 0 0 252.314 3.452 10 5 CGBERN CCOc1ccc(/C=C(\C)[N+](=O)[O-])cc1OCC ZINC000058002502 345192848 /nfs/dbraw/zinc/19/28/48/345192848.db2.gz JMPFGBSWLWZTIG-CSKARUKUSA-N 0 0 251.282 3.122 10 5 CGBERN COc1ccc([N+](=O)[O-])c(/C=C/c2ccccn2)c1 ZINC000165429432 346183707 /nfs/dbraw/zinc/18/37/07/346183707.db2.gz XRULVFRLGNYGAL-AATRIKPKSA-N 0 0 256.261 3.169 10 5 CGBERN CSc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000396098477 346579533 /nfs/dbraw/zinc/57/95/33/346579533.db2.gz ASEFDKJOYMAKDH-UHFFFAOYSA-N 0 0 253.201 3.215 10 5 CGBERN CCCOc1cc(N[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000104240001 185940570 /nfs/dbraw/zinc/94/05/70/185940570.db2.gz NPZWXEIPGAXYLZ-KOLCDFICSA-N 0 0 250.298 3.204 10 5 CGBERN C[C@H]1CC(Nc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000123142419 187074009 /nfs/dbraw/zinc/07/40/09/187074009.db2.gz FQLRSQJCFXXRSO-IUCAKERBSA-N 0 0 268.288 3.102 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301468798 201019690 /nfs/dbraw/zinc/01/96/90/201019690.db2.gz ZNERRJADZVRZJR-WCQYABFASA-N 0 0 262.309 3.398 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301787843 201197533 /nfs/dbraw/zinc/19/75/33/201197533.db2.gz QAFNALWZOXGIJA-UWVGGRQHSA-N 0 0 285.731 3.013 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000301784111 201195203 /nfs/dbraw/zinc/19/52/03/201195203.db2.gz OPUFJAJKSQYPTK-OLZOCXBDSA-N 0 0 292.335 3.167 10 5 CGBERN Cc1nc(CN(C)c2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000302825570 201566524 /nfs/dbraw/zinc/56/65/24/201566524.db2.gz ZCOXTWZUQDTRBN-UHFFFAOYSA-N 0 0 281.312 3.135 10 5 CGBERN Cc1nn(C)c(N[C@@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000048331296 369342050 /nfs/dbraw/zinc/34/20/50/369342050.db2.gz WYDAERIYPNZUID-QMMMGPOBSA-N 0 0 294.742 3.463 10 5 CGBERN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000052290765 369467623 /nfs/dbraw/zinc/46/76/23/369467623.db2.gz QBJQQUWKOVYQOW-LDWIPMOCSA-N 0 0 271.114 3.178 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000074350795 369876104 /nfs/dbraw/zinc/87/61/04/369876104.db2.gz VJYNQUCCKOXJQO-QMMMGPOBSA-N 0 0 294.332 3.357 10 5 CGBERN COc1ccc([C@H](C[N+](=O)[O-])c2ccccc2)cc1 ZINC000117931198 370603060 /nfs/dbraw/zinc/60/30/60/370603060.db2.gz KYAHBXYYPAEIRV-OAHLLOKOSA-N 0 0 257.289 3.104 10 5 CGBERN CCc1cnc([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])s1 ZINC000134928900 371376713 /nfs/dbraw/zinc/37/67/13/371376713.db2.gz AUHHCYQWRLCZOD-SECBINFHSA-N 0 0 292.364 3.490 10 5 CGBERN CSC[C@H](C)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301328077 373747183 /nfs/dbraw/zinc/74/71/83/373747183.db2.gz JFFMXTKLZFJHIY-JTQLQIEISA-N 0 0 291.376 3.331 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301810469 373807299 /nfs/dbraw/zinc/80/72/99/373807299.db2.gz ZUQSGFMLVSEKAA-VHSXEESVSA-N 0 0 268.288 3.103 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000301560191 373785411 /nfs/dbraw/zinc/78/54/11/373785411.db2.gz KDDMDZRIVOXSEY-DZGCQCFKSA-N 0 0 276.336 3.051 10 5 CGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226818466 376375839 /nfs/dbraw/zinc/37/58/39/376375839.db2.gz WZVPINTVAFKNST-KCJUWKMLSA-N 0 0 282.727 3.167 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000231663710 376562679 /nfs/dbraw/zinc/56/26/79/376562679.db2.gz GHZQAEVXVPFKKV-XVKPBYJWSA-N 0 0 255.705 3.244 10 5 CGBERN Cc1c(OC(F)F)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575668278 377945234 /nfs/dbraw/zinc/94/52/34/377945234.db2.gz UFEJJASGFGTQKI-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN COc1c(OC(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575667886 377945310 /nfs/dbraw/zinc/94/53/10/377945310.db2.gz SEEVQYOPUDOYLG-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575668744 377946084 /nfs/dbraw/zinc/94/60/84/377946084.db2.gz WUKWFEQKLUQCKN-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CCOC(=O)c1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575674763 377949385 /nfs/dbraw/zinc/94/93/85/377949385.db2.gz UVZIEBILNIKEKK-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CCOC(=O)Cc1cc(C(F)(F)F)cc(C)c1[N+](=O)[O-] ZINC000575675771 377950765 /nfs/dbraw/zinc/95/07/65/377950765.db2.gz YBCOQBYJPFJQND-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CCOC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000575396758 377903310 /nfs/dbraw/zinc/90/33/10/377903310.db2.gz GNJUBRMJTVKAFS-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000575448271 377913611 /nfs/dbraw/zinc/91/36/11/377913611.db2.gz NHPJONZZLMSQBH-UHFFFAOYSA-N 0 0 278.091 3.468 10 5 CGBERN COC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl ZINC000575713568 377982764 /nfs/dbraw/zinc/98/27/64/377982764.db2.gz YAZPVBDXADLEMY-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN CC(C)(C)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000000157692 169557332 /nfs/dbraw/zinc/55/73/32/169557332.db2.gz BCPWXKPVYHIBTH-QPJJXVBHSA-N 0 0 282.727 3.176 10 5 CGBERN CC[C@H](NC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090090252 165227843 /nfs/dbraw/zinc/22/78/43/165227843.db2.gz YQZBXEMYIDXLSQ-AWEZNQCLSA-N 0 0 291.351 3.288 10 5 CGBERN O=[N+]([O-])c1cccc(NCc2ccc(O)c3ncccc23)c1 ZINC000006615211 170219577 /nfs/dbraw/zinc/21/95/77/170219577.db2.gz FDQAAJUZCLJCAG-UHFFFAOYSA-N 0 0 295.298 3.461 10 5 CGBERN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000035216712 172057554 /nfs/dbraw/zinc/05/75/54/172057554.db2.gz GTAZNPGZRXVRFA-QPUJVOFHSA-N 0 0 270.716 3.228 10 5 CGBERN CC[C@@H](C)Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000035344517 172136683 /nfs/dbraw/zinc/13/66/83/172136683.db2.gz NSFPEVMCUZXZNG-SSDOTTSWSA-N 0 0 251.311 3.415 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1NCc1ccc(O)cc1 ZINC000037059388 172924280 /nfs/dbraw/zinc/92/42/80/172924280.db2.gz SQUJZWSJMSROGA-UHFFFAOYSA-N 0 0 258.277 3.221 10 5 CGBERN Cc1ccc(NC(=O)c2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000037976142 173931643 /nfs/dbraw/zinc/93/16/43/173931643.db2.gz MVSQCFTXBKPHSH-UHFFFAOYSA-N 0 0 291.694 3.204 10 5 CGBERN COc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000038082321 174091187 /nfs/dbraw/zinc/09/11/87/174091187.db2.gz IPZJMCGPCSSZJS-UHFFFAOYSA-N 0 0 280.667 3.444 10 5 CGBERN CC[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000042595539 174813955 /nfs/dbraw/zinc/81/39/55/174813955.db2.gz ZXOHRZIXHKNTNI-MRVPVSSYSA-N 0 0 257.721 3.490 10 5 CGBERN C[C@H](N(C)c1ccc(C=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000042770020 174870404 /nfs/dbraw/zinc/87/04/04/174870404.db2.gz XEWHRXQTYZCKJO-JTQLQIEISA-N 0 0 264.325 3.278 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ncc3ccccc3n2)cc1 ZINC000059212540 275034720 /nfs/dbraw/zinc/03/47/20/275034720.db2.gz WLBBZOBVXHZYGJ-UHFFFAOYSA-N 0 0 251.245 3.205 10 5 CGBERN COc1ccc2c(c1)c1nc3ccccc3nc1n2C ZINC000000072638 277447294 /nfs/dbraw/zinc/44/72/94/277447294.db2.gz GPYQXPAEOSJHMU-UHFFFAOYSA-N 0 0 263.300 3.283 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000251022565 301855072 /nfs/dbraw/zinc/85/50/72/301855072.db2.gz VSQKBQLSERPRAZ-BBRMVZONSA-N 0 0 290.363 3.035 10 5 CGBERN COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ncc(C)o2)c1 ZINC000234951311 525452019 /nfs/dbraw/zinc/45/20/19/525452019.db2.gz NWTBRKPLMNZTMR-VIFPVBQESA-N 0 0 277.280 3.073 10 5 CGBERN O=C1CCCc2nc(-c3ccccc3[N+](=O)[O-])sc21 ZINC000050329723 526986863 /nfs/dbraw/zinc/98/68/63/526986863.db2.gz RVUJVOMTLPYKQA-UHFFFAOYSA-N 0 0 274.301 3.237 10 5 CGBERN Nc1ccc(CSCc2ccco2)cc1[N+](=O)[O-] ZINC000050837696 527483516 /nfs/dbraw/zinc/48/35/16/527483516.db2.gz CVLLRLDUFJUMEZ-UHFFFAOYSA-N 0 0 264.306 3.203 10 5 CGBERN Cc1cccc(C(=O)O[C@@H](C)C2CCC2)c1[N+](=O)[O-] ZINC000177271129 618812355 /nfs/dbraw/zinc/81/23/55/618812355.db2.gz USJVMDBPAREDRD-JTQLQIEISA-N 0 0 263.293 3.249 10 5 CGBERN COC1CC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000230594130 623252643 /nfs/dbraw/zinc/25/26/43/623252643.db2.gz ZFMKHRQFVYRZEL-UHFFFAOYSA-N 0 0 290.241 3.203 10 5 CGBERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000233387943 624624236 /nfs/dbraw/zinc/62/42/36/624624236.db2.gz LNXAFLIECJPASJ-GZMMTYOYSA-N 0 0 282.727 3.167 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000233438549 624628296 /nfs/dbraw/zinc/62/82/96/624628296.db2.gz FAHQFAMLJLXWTR-UWVGGRQHSA-N 0 0 280.324 3.213 10 5 CGBERN CC(=O)[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124725406 634495111 /nfs/dbraw/zinc/49/51/11/634495111.db2.gz WCZGVVAVTGJSPV-JTQLQIEISA-N 0 0 282.727 3.054 10 5 CGBERN Cc1cc(N2C[C@@H]3CC=CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000078370663 345604763 /nfs/dbraw/zinc/60/47/63/345604763.db2.gz FUSDHOFDILALPH-STQMWFEESA-N 0 0 258.321 3.306 10 5 CGBERN O=[N+]([O-])CCc1ccc(CNc2ccccc2)cc1 ZINC000113992714 345963449 /nfs/dbraw/zinc/96/34/49/345963449.db2.gz DYOUHZBJKDKIJD-UHFFFAOYSA-N 0 0 256.305 3.118 10 5 CGBERN O=[N+]([O-])c1ccc(Br)c(C(F)F)c1 ZINC000238690475 346350267 /nfs/dbraw/zinc/35/02/67/346350267.db2.gz YHTXWSSPXKCOIL-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(C(F)F)c1Br ZINC000307142844 346460006 /nfs/dbraw/zinc/46/00/06/346460006.db2.gz FEPUNFQMSVGZSB-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C(F)(F)F ZINC000514264407 346636214 /nfs/dbraw/zinc/63/62/14/346636214.db2.gz CVHLLLSLMUENNT-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN CCCOc1cccc2c(=O)c3ccccc3[nH]c12 ZINC000584640755 346702762 /nfs/dbraw/zinc/70/27/62/346702762.db2.gz RKTAVVJXLSCPNC-UHFFFAOYSA-N 0 0 253.301 3.470 10 5 CGBERN Cc1nc(Cl)c(C)c(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000104221276 185935335 /nfs/dbraw/zinc/93/53/35/185935335.db2.gz FHTNDNNWKIMXBS-UHFFFAOYSA-N 0 0 279.683 3.447 10 5 CGBERN O=[N+]([O-])c1cc(CO)ccc1Sc1ccc(F)cc1 ZINC000104301923 185959851 /nfs/dbraw/zinc/95/98/51/185959851.db2.gz ONJMYPXGRSZZDK-UHFFFAOYSA-N 0 0 279.292 3.377 10 5 CGBERN O=[N+]([O-])c1c2ncsc2ccc1NCc1cscn1 ZINC000104443743 186004347 /nfs/dbraw/zinc/00/43/47/186004347.db2.gz BZMUZMGGGRCCSS-UHFFFAOYSA-N 0 0 292.345 3.273 10 5 CGBERN Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000121314508 186964921 /nfs/dbraw/zinc/96/49/21/186964921.db2.gz IVWBWISUODLMBI-NEPJUHHUSA-N 0 0 286.287 3.238 10 5 CGBERN CCc1cnc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)s1 ZINC000134926317 187782470 /nfs/dbraw/zinc/78/24/70/187782470.db2.gz IWCPZESMQUATIR-SECBINFHSA-N 0 0 292.364 3.490 10 5 CGBERN Cc1cccc(N[C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000218835601 138493455 /nfs/dbraw/zinc/49/34/55/138493455.db2.gz GDDQOJADRQCXLP-AWEZNQCLSA-N 0 0 272.304 3.049 10 5 CGBERN Cc1cc(N2CCC[C@H]2c2ccco2)ncc1[N+](=O)[O-] ZINC000301462605 201017329 /nfs/dbraw/zinc/01/73/29/201017329.db2.gz ZVBROHKFEJRLHH-NSHDSACASA-N 0 0 273.292 3.233 10 5 CGBERN COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H](OC)C1 ZINC000301753973 201178991 /nfs/dbraw/zinc/17/89/91/201178991.db2.gz CGDTZXGWWAXXHK-GXTWGEPZSA-N 0 0 294.351 3.111 10 5 CGBERN O=c1[nH]c2c(c3ccccc13)Cc1ccc([N+](=O)[O-])cc1-2 ZINC000013652894 368660183 /nfs/dbraw/zinc/66/01/83/368660183.db2.gz SWBDUXDIPMGDNO-UHFFFAOYSA-N 0 0 278.267 3.008 10 5 in-vivo CGBERN CSc1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1 ZINC000024107083 368828630 /nfs/dbraw/zinc/82/86/30/368828630.db2.gz SMJSFUOOGFRBBY-UHFFFAOYSA-N 0 0 289.360 3.348 10 5 CGBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCc2ccccc21 ZINC000048552973 369357848 /nfs/dbraw/zinc/35/78/48/369357848.db2.gz QFDFEMFTBUMFEX-GFCCVEGCSA-N 0 0 255.277 3.089 10 5 CGBERN CCC[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000075559698 369912728 /nfs/dbraw/zinc/91/27/28/369912728.db2.gz YBJAKZVZTKDCTQ-QPUJVOFHSA-N 0 0 282.727 3.167 10 5 CGBERN O=[N+]([O-])c1c(F)cc(F)cc1NCc1ccccc1 ZINC000132874920 371208731 /nfs/dbraw/zinc/20/87/31/371208731.db2.gz DWAVHAPJKPOEOB-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN CCc1cnc([C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])s1 ZINC000134928915 371376965 /nfs/dbraw/zinc/37/69/65/371376965.db2.gz AUHHCYQWRLCZOD-VIFPVBQESA-N 0 0 292.364 3.490 10 5 CGBERN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000148465983 371522627 /nfs/dbraw/zinc/52/26/27/371522627.db2.gz QPYHGCIOYIJIOA-ZETCQYMHSA-N 0 0 267.672 3.409 10 5 CGBERN C[C@@H](c1ccccn1)N(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302826069 373977559 /nfs/dbraw/zinc/97/75/59/373977559.db2.gz ZZBSQHPDIHREKG-JTQLQIEISA-N 0 0 275.283 3.326 10 5 CGBERN Cc1cc(NC[C@H]2CCCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000313178567 374298722 /nfs/dbraw/zinc/29/87/22/374298722.db2.gz VHEZMZFTPUCGRF-QMTHXVAHSA-N 0 0 282.315 3.005 10 5 CGBERN COc1cc(N[C@@H](C)c2ncc(C)o2)ccc1[N+](=O)[O-] ZINC000234967235 376626496 /nfs/dbraw/zinc/62/64/96/376626496.db2.gz FEWXJHRERWGRDF-VIFPVBQESA-N 0 0 277.280 3.073 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(OC(F)F)c1CC ZINC000575655610 377932776 /nfs/dbraw/zinc/93/27/76/377932776.db2.gz MFNXVUJNFNHKIK-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(OC(F)F)c1C(F)(F)F ZINC000575660999 377937087 /nfs/dbraw/zinc/93/70/87/377937087.db2.gz GBQKQWCWCQJNOZ-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=[N+]([O-])c1c(F)c(OC(F)F)ccc1OC(F)(F)F ZINC000575662023 377938761 /nfs/dbraw/zinc/93/87/61/377938761.db2.gz ZSVBOONPWCFGEH-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=Cc1cc(OC(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575665005 377941916 /nfs/dbraw/zinc/94/19/16/377941916.db2.gz BAWFHCVRQZRRKQ-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1OC(F)F ZINC000575668313 377945421 /nfs/dbraw/zinc/94/54/21/377945421.db2.gz UVUGAEVAVPBKGA-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN O=Cc1cc(OC(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575668934 377946395 /nfs/dbraw/zinc/94/63/95/377946395.db2.gz YTYRYAAOCXUZOE-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(Br)c1OCC ZINC000575680776 377955058 /nfs/dbraw/zinc/95/50/58/377955058.db2.gz KHCHNOOINWZWCA-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1C(F)F ZINC000575687072 377961849 /nfs/dbraw/zinc/96/18/49/377961849.db2.gz UEIXFAVAHVKRQT-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CC(=O)c1cc(Cl)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575693687 377967845 /nfs/dbraw/zinc/96/78/45/377967845.db2.gz DPBDIPREJMGKDD-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1cc(OC)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575698756 377971097 /nfs/dbraw/zinc/97/10/97/377971097.db2.gz IPJQIJUYZAJPSQ-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCOc1cc(C(F)(F)F)c(OC)cc1[N+](=O)[O-] ZINC000575699166 377971122 /nfs/dbraw/zinc/97/11/22/377971122.db2.gz QMFALGFIQWODMN-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(OC)cc1C(F)(F)F ZINC000575698717 377971552 /nfs/dbraw/zinc/97/15/52/377971552.db2.gz GSLPYDAIYGMMFZ-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN COC(=O)c1cc(Cl)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575712698 377981569 /nfs/dbraw/zinc/98/15/69/377981569.db2.gz JXEOXHHSAOWZOW-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)CC2(C)C)n1 ZINC000408171705 291826345 /nfs/dbraw/zinc/82/63/45/291826345.db2.gz MPMIGKLHCCHDDE-VIFPVBQESA-N 0 0 263.341 3.231 10 5 CGBERN O=[N+]([O-])c1ccc(-c2csc(Br)n2)cc1 ZINC000096394972 285104196 /nfs/dbraw/zinc/10/41/96/285104196.db2.gz ZKPIOCWAPFGAHW-UHFFFAOYSA-N 0 0 285.122 3.481 10 5 CGBERN O=[N+]([O-])c1cnc(N[C@H]2CCc3ccccc32)s1 ZINC000282139360 285182956 /nfs/dbraw/zinc/18/29/56/285182956.db2.gz LUBSDAAHUUGFNE-JTQLQIEISA-N 0 0 261.306 3.151 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCC(O)CC1 ZINC000302760088 392620444 /nfs/dbraw/zinc/62/04/44/392620444.db2.gz JVXWELCOZAOCCO-UHFFFAOYSA-N 0 0 284.743 3.272 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160674449 292288525 /nfs/dbraw/zinc/28/85/25/292288525.db2.gz VSQKBQLSERPRAZ-CJNGLKHVSA-N 0 0 290.363 3.035 10 5 CGBERN CCO[P@@](=O)(CC)Oc1ccc([N+](=O)[O-])cc1 ZINC000002015923 169767715 /nfs/dbraw/zinc/76/77/15/169767715.db2.gz XXUJMEYKYHETBZ-KRWDZBQOSA-N 0 0 259.198 3.223 10 5 in-man CGBERN CN=[S@](=O)(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005199838 170075567 /nfs/dbraw/zinc/07/55/67/170075567.db2.gz DHPJRIXQJPGITH-FQEVSTJZSA-N 0 0 291.332 3.079 10 5 CGBERN CCCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005417408 170096890 /nfs/dbraw/zinc/09/68/90/170096890.db2.gz ZAHQWWCHUGNWJX-UHFFFAOYSA-N 0 0 287.113 3.096 10 5 CGBERN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006586194 170216362 /nfs/dbraw/zinc/21/63/62/170216362.db2.gz VQOVJWMLCGXMHE-DISFZNMFSA-N 0 0 288.347 3.303 10 5 CGBERN C[C@H](NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007123435 170267946 /nfs/dbraw/zinc/26/79/46/170267946.db2.gz KEURSAMMOADJPY-JTQLQIEISA-N 0 0 288.278 3.225 10 5 CGBERN O=Cc1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000008055462 170316630 /nfs/dbraw/zinc/31/66/30/170316630.db2.gz XSJIEAIEQXHIQA-UHFFFAOYSA-N 0 0 256.261 3.019 10 5 CGBERN CCOC(=O)c1c(N)scc1-c1ccccc1[N+](=O)[O-] ZINC000020525960 171238955 /nfs/dbraw/zinc/23/89/55/171238955.db2.gz LKFJKIGJYURMNP-UHFFFAOYSA-N 0 0 292.316 3.082 10 5 CGBERN O=[N+]([O-])c1ccc2oc(COc3ccccc3)nc2c1 ZINC000028815371 171576287 /nfs/dbraw/zinc/57/62/87/171576287.db2.gz UOQGJDSXKKCSPL-UHFFFAOYSA-N 0 0 270.244 3.315 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NCc1ccc(F)cc1 ZINC000035229941 172070945 /nfs/dbraw/zinc/07/09/45/172070945.db2.gz YMJPASYLKOMFBW-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccncc1 ZINC000035693805 172362412 /nfs/dbraw/zinc/36/24/12/172362412.db2.gz BTQGCZANHDGEKY-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN C[C@H](O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080268 174089800 /nfs/dbraw/zinc/08/98/00/174089800.db2.gz LEWVGQKPHSLZDF-JTQLQIEISA-N 0 0 259.261 3.440 10 5 CGBERN O=Cc1ccccc1Oc1cc(F)ccc1[N+](=O)[O-] ZINC000038081206 174090559 /nfs/dbraw/zinc/09/05/59/174090559.db2.gz SFGQJVSKVNUOQV-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN CCc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000040454806 174267084 /nfs/dbraw/zinc/26/70/84/174267084.db2.gz HMUBTSDTGGHEMH-SNVBAGLBSA-N 0 0 272.308 3.120 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1NCc1ccccc1Cl ZINC000040571547 174338337 /nfs/dbraw/zinc/33/83/37/174338337.db2.gz WSNAYCOHRLLTOC-UHFFFAOYSA-N 0 0 299.117 3.304 10 5 CGBERN CC(C)(C)Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040581828 174344886 /nfs/dbraw/zinc/34/48/86/174344886.db2.gz GECOPROUPZABNB-UHFFFAOYSA-N 0 0 288.307 3.388 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc2c(c1)OCO2 ZINC000061674947 175652851 /nfs/dbraw/zinc/65/28/51/175652851.db2.gz RWBAFEKREMJOSP-UHFFFAOYSA-N 0 0 290.250 3.075 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F ZINC000051449004 260209223 /nfs/dbraw/zinc/20/92/23/260209223.db2.gz UVVOXTAEERMBSK-VIFPVBQESA-N 0 0 261.256 3.302 10 5 CGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000248386068 287761580 /nfs/dbraw/zinc/76/15/80/287761580.db2.gz KZZWZLZDWRQGBW-BYCMXARLSA-N 0 0 288.347 3.246 10 5 CGBERN C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000301212300 278442368 /nfs/dbraw/zinc/44/23/68/278442368.db2.gz VTEGZKOYCNZNAC-QMMMGPOBSA-N 0 0 272.757 3.190 10 5 CGBERN Cc1cc(N2CC[C@](C)(F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000408114432 280578962 /nfs/dbraw/zinc/57/89/62/280578962.db2.gz DCDSETARJIBNSF-HNNXBMFYSA-N 0 0 289.310 3.390 10 5 CGBERN Cc1cnc(N2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000408000963 302349939 /nfs/dbraw/zinc/34/99/39/302349939.db2.gz LDZNVGGWAKFXJI-QWHCGFSZSA-N 0 0 275.352 3.457 10 5 CGBERN CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161520343 523367911 /nfs/dbraw/zinc/36/79/11/523367911.db2.gz WWSWANZGKHZAMP-WDEREUQCSA-N 0 0 291.351 3.040 10 5 CGBERN CCc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1 ZINC000052840372 523996562 /nfs/dbraw/zinc/99/65/62/523996562.db2.gz YRKRUQPYMKSNEA-UHFFFAOYSA-N 0 0 257.293 3.483 10 5 CGBERN Cc1cc(CSCCOc2cccc([N+](=O)[O-])c2)no1 ZINC000101584942 524815768 /nfs/dbraw/zinc/81/57/68/524815768.db2.gz UENIADPHYDOGJL-UHFFFAOYSA-N 0 0 294.332 3.203 10 5 CGBERN Cc1c(CN[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000070529859 625014841 /nfs/dbraw/zinc/01/48/41/625014841.db2.gz BWLRFNQXZIQWKC-CQSZACIVSA-N 0 0 284.315 3.127 10 5 CGBERN CC(C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000129583904 636313777 /nfs/dbraw/zinc/31/37/77/636313777.db2.gz MBCYDJSSCPXJES-MRVPVSSYSA-N 0 0 270.716 3.023 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 ZINC000588446506 799695075 /nfs/dbraw/zinc/69/50/75/799695075.db2.gz KRMWPMMYCCAHJW-KHPPLWFESA-N 0 0 298.298 3.342 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000591994759 346954498 /nfs/dbraw/zinc/95/44/98/346954498.db2.gz YOKODOKBFRFXAR-FXBDTBDDSA-N 0 0 267.716 3.244 10 5 CGBERN Cc1cc(Oc2ccnc(Cl)n2)ccc1[N+](=O)[O-] ZINC000051849059 345093426 /nfs/dbraw/zinc/09/34/26/345093426.db2.gz KDKDXLSKCGBKGQ-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090467486 345788744 /nfs/dbraw/zinc/78/87/44/345788744.db2.gz KOXPPXKTPWDGPK-ZNMIVQPWSA-N 0 0 288.347 3.208 10 5 CGBERN CCCOc1ccc(CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000142744791 346111875 /nfs/dbraw/zinc/11/18/75/346111875.db2.gz VXDPOGNXXCNKEE-UHFFFAOYSA-N 0 0 263.215 3.488 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(C)c1-c1cccc(CO)c1 ZINC000143641007 346114811 /nfs/dbraw/zinc/11/48/11/346114811.db2.gz XWXCBVNEVMNJCE-UHFFFAOYSA-N 0 0 257.289 3.371 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(C)c1-n1cnc(C(F)(F)F)c1 ZINC000145785612 346121793 /nfs/dbraw/zinc/12/17/93/346121793.db2.gz OTXKJHBMCWPAEC-UHFFFAOYSA-N 0 0 285.225 3.416 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)F)cc1Br ZINC000238700917 346350507 /nfs/dbraw/zinc/35/05/07/346350507.db2.gz QONCDGCMLOSTOP-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN CSc1c(C)ccc(Br)c1[N+](=O)[O-] ZINC000306907367 346458916 /nfs/dbraw/zinc/45/89/16/346458916.db2.gz DSBDIOPBVXVDLC-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN O=Cc1c([N+](=O)[O-])ccc(C(F)(F)F)c1C(F)(F)F ZINC000514279333 346637913 /nfs/dbraw/zinc/63/79/13/346637913.db2.gz ZPRBFFLQNGSIKP-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000514279667 346638059 /nfs/dbraw/zinc/63/80/59/346638059.db2.gz OGADHNHQNFFMLA-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN CSc1cc2c(cc1[N+](=O)[O-])Cc1cc(N)ccc1-2 ZINC000584641242 346702860 /nfs/dbraw/zinc/70/28/60/346702860.db2.gz XKGSOIQIOKYEQX-UHFFFAOYSA-N 0 0 272.329 3.470 10 5 CGBERN Cc1cc([C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])on1 ZINC000584645770 346703363 /nfs/dbraw/zinc/70/33/63/346703363.db2.gz DRXRVSNTTWVNFV-QMMMGPOBSA-N 0 0 266.228 3.170 10 5 CGBERN COc1ccc([N+](=O)[O-])c2c(Cl)cc(C)nc12 ZINC000584625909 346697076 /nfs/dbraw/zinc/69/70/76/346697076.db2.gz AGECHHZIPBWVQT-UHFFFAOYSA-N 0 0 252.657 3.113 10 5 CGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000104238497 185940030 /nfs/dbraw/zinc/94/00/30/185940030.db2.gz BPYFVMZKDZZDLZ-LLVKDONJSA-N 0 0 252.314 3.450 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccccc3F)c2c1 ZINC000091364372 180142653 /nfs/dbraw/zinc/14/26/53/180142653.db2.gz XVSMEFUNWOUPTE-UHFFFAOYSA-N 0 0 257.224 3.277 10 5 CGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000116044018 186692561 /nfs/dbraw/zinc/69/25/61/186692561.db2.gz NLGUDRNEBSUVNP-CYBMUJFWSA-N 0 0 286.287 3.165 10 5 CGBERN CCO[C@H]1C[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000148952512 187920500 /nfs/dbraw/zinc/92/05/00/187920500.db2.gz AARVBSMUTXFWSO-KGLIPLIRSA-N 0 0 294.326 3.494 10 5 CGBERN CO[C@@H](C)CCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181668354 189303943 /nfs/dbraw/zinc/30/39/43/189303943.db2.gz BJSOVSKVSLBTQG-NWDGAFQWSA-N 0 0 295.335 3.323 10 5 CGBERN Cc1nc(CNc2ncc(Cl)cc2[N+](=O)[O-])c(C)s1 ZINC000301849107 201232003 /nfs/dbraw/zinc/23/20/03/201232003.db2.gz VWWUWFSFABGNHU-UHFFFAOYSA-N 0 0 298.755 3.329 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000302019960 201302719 /nfs/dbraw/zinc/30/27/19/201302719.db2.gz DQJAEQAQDYGVFB-UONOGXRCSA-N 0 0 290.363 3.468 10 5 CGBERN C[C@@H]1C[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000052290387 369466729 /nfs/dbraw/zinc/46/67/29/369466729.db2.gz DNVAPGBRLHKRNC-MUWHJKNJSA-N 0 0 271.114 3.178 10 5 CGBERN CCOc1cccc(N[C@@H]2C[C@@H]2CC)c1[N+](=O)[O-] ZINC000231037239 189812705 /nfs/dbraw/zinc/81/27/05/189812705.db2.gz XUXOXTGBXODDKW-GXSJLCMTSA-N 0 0 250.298 3.204 10 5 CGBERN Cc1nc(-c2ccc([N+](=O)[O-])cc2)ccc1[C@H](C)O ZINC000072416720 369818098 /nfs/dbraw/zinc/81/80/98/369818098.db2.gz BZNSHVVQPVGDBN-JTQLQIEISA-N 0 0 258.277 3.019 10 5 CGBERN COc1cc(N[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000104250594 370341796 /nfs/dbraw/zinc/34/17/96/370341796.db2.gz ULVNSQNEAOPDSB-VIFPVBQESA-N 0 0 262.265 3.370 10 5 CGBERN CCO[C@@H]1C[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000148952327 371526184 /nfs/dbraw/zinc/52/61/84/371526184.db2.gz AARVBSMUTXFWSO-ZIAGYGMSSA-N 0 0 294.326 3.494 10 5 CGBERN CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301327810 373746567 /nfs/dbraw/zinc/74/65/67/373746567.db2.gz CCJDVIRGXYCSOD-GHMZBOCLSA-N 0 0 291.351 3.074 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)C(C)(C)C ZINC000302840070 373980718 /nfs/dbraw/zinc/98/07/18/373980718.db2.gz ZXHHJNIFVNSSTM-LLVKDONJSA-N 0 0 286.759 3.376 10 5 CGBERN CCCCOC[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000193385366 375871324 /nfs/dbraw/zinc/87/13/24/375871324.db2.gz STYGFTPRLCJJRG-CQSZACIVSA-N 0 0 299.392 3.006 10 5 CGBERN CC(C)Oc1cc(-c2ccncc2)ccc1[N+](=O)[O-] ZINC000215974662 376154406 /nfs/dbraw/zinc/15/44/06/376154406.db2.gz SDJWFJVGUUUSRW-UHFFFAOYSA-N 0 0 258.277 3.444 10 5 CGBERN CCc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000230183577 376493224 /nfs/dbraw/zinc/49/32/24/376493224.db2.gz BAWUNUGGUXXPCK-UHFFFAOYSA-N 0 0 271.320 3.473 10 5 CGBERN CCOc1c([N+](=O)[O-])ccc(CC)c1OC(F)F ZINC000575655034 377932587 /nfs/dbraw/zinc/93/25/87/377932587.db2.gz HLNLYARQQKXJEH-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(Br)c1OCC ZINC000575681461 377956158 /nfs/dbraw/zinc/95/61/58/377956158.db2.gz WIZSAEGAZJKNIQ-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)(F)F)cc(F)c1OC(F)F ZINC000575661978 377938012 /nfs/dbraw/zinc/93/80/12/377938012.db2.gz XXHUPFMKPWDNIW-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN Cc1cc(OC(F)F)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575665438 377942087 /nfs/dbraw/zinc/94/20/87/377942087.db2.gz DQTOOAMVNABVAK-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN Cc1cc([N+](=O)[O-])c(OC(F)F)cc1OC(F)(F)F ZINC000575665188 377942158 /nfs/dbraw/zinc/94/21/58/377942158.db2.gz BXPLJVQEQQMOAG-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN Cc1cc(C(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575668307 377945466 /nfs/dbraw/zinc/94/54/66/377945466.db2.gz URYOJYCQGXCWMP-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CC(=O)c1cc(Cl)c(Br)cc1[N+](=O)[O-] ZINC000575677706 377952681 /nfs/dbraw/zinc/95/26/81/377952681.db2.gz NBLGLCPJNACALP-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CCOC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000575396761 377903776 /nfs/dbraw/zinc/90/37/76/377903776.db2.gz PHZRFDUYUIMVHG-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN C[N@@+]1([O-])CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000575418527 377906551 /nfs/dbraw/zinc/90/65/51/377906551.db2.gz RNFDUEPBVUOHRQ-QZTJIDSGSA-N 0 0 270.352 3.142 10 5 CGBERN CCOc1c(OC)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575698686 377971319 /nfs/dbraw/zinc/97/13/19/377971319.db2.gz DNDJXKVUGFAVIR-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])c(OC(F)F)cc1Cl ZINC000575701222 377974820 /nfs/dbraw/zinc/97/48/20/377974820.db2.gz WEYYRFKYWIZMAH-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCc1cc(C(F)(F)F)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575703889 377976839 /nfs/dbraw/zinc/97/68/39/377976839.db2.gz PYOGQYWGEOELBU-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccccc2Cl)nc1 ZINC000005510692 285137918 /nfs/dbraw/zinc/13/79/18/285137918.db2.gz AOOKUBCOZVYNBA-UHFFFAOYSA-N 0 0 250.641 3.436 10 5 CGBERN O=[N+]([O-])c1cccnc1N1CC=C(c2cccs2)CC1 ZINC000301297432 285165055 /nfs/dbraw/zinc/16/50/55/285165055.db2.gz SLDSACLAXWUSPO-UHFFFAOYSA-N 0 0 287.344 3.345 10 5 CGBERN O=[N+]([O-])c1cnc(N2CC=C(c3cccs3)CC2)s1 ZINC000192458313 285171908 /nfs/dbraw/zinc/17/19/08/285171908.db2.gz GUQKVLDSCKDWKC-UHFFFAOYSA-N 0 0 293.373 3.407 10 5 CGBERN C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])c1nccs1 ZINC000080320087 177640667 /nfs/dbraw/zinc/64/06/67/177640667.db2.gz AGTNBUXQVQJBHO-ZETCQYMHSA-N 0 0 267.285 3.364 10 5 CGBERN Cc1ccc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000091366461 392230643 /nfs/dbraw/zinc/23/06/43/392230643.db2.gz YCJJVNDRVRGHPD-UHFFFAOYSA-N 0 0 253.261 3.447 10 5 CGBERN Cc1cc(N2CCO[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301954256 392604017 /nfs/dbraw/zinc/60/40/17/392604017.db2.gz KDLBVEJPHIFJBD-CABCVRRESA-N 0 0 276.336 3.051 10 5 CGBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)cc2ccccc21 ZINC000211637006 392984872 /nfs/dbraw/zinc/98/48/72/392984872.db2.gz YTHAAXJVSJVEGW-UHFFFAOYSA-N 0 0 267.240 3.368 10 5 CGBERN O=[N+]([O-])c1c(F)c(Br)cc2cnccc21 ZINC000675072439 543313101 /nfs/dbraw/zinc/31/31/01/543313101.db2.gz CHXIWYFJLYYQFY-UHFFFAOYSA-N 0 0 271.045 3.045 10 5 CGBERN CCCCCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005614729 170120336 /nfs/dbraw/zinc/12/03/36/170120336.db2.gz WPCOXOQCABXPRG-UHFFFAOYSA-N 0 0 250.298 3.422 10 5 CGBERN Cc1cc2ncn(C(=O)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000005926856 170156604 /nfs/dbraw/zinc/15/66/04/170156604.db2.gz YNBDCVQBIKCUDC-UHFFFAOYSA-N 0 0 295.298 3.250 10 5 CGBERN COc1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000006569290 170214077 /nfs/dbraw/zinc/21/40/77/170214077.db2.gz HYUJUIVFNYHFPA-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN Nc1ncc(-c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000021950606 171339397 /nfs/dbraw/zinc/33/93/97/171339397.db2.gz FSDNBPTWPQTRMM-UHFFFAOYSA-N 0 0 299.208 3.138 10 5 CGBERN Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000035018593 171936003 /nfs/dbraw/zinc/93/60/03/171936003.db2.gz UWJXSAGAWOVZER-UHFFFAOYSA-N 0 0 287.275 3.424 10 5 CGBERN C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000035694277 172362673 /nfs/dbraw/zinc/36/26/73/172362673.db2.gz POSIRQQNTGHELJ-MRVPVSSYSA-N 0 0 278.699 3.211 10 5 CGBERN CC(C)C[C@@H](C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037265558 173074151 /nfs/dbraw/zinc/07/41/51/173074151.db2.gz UQWVLRBWHDSREP-MRVPVSSYSA-N 0 0 257.721 3.490 10 5 CGBERN O=C(NC1CCCCC1)OCc1ccccc1[N+](=O)[O-] ZINC000038804939 174155265 /nfs/dbraw/zinc/15/52/65/174155265.db2.gz NJMCHQONLVUNAM-UHFFFAOYSA-N 0 0 278.308 3.154 10 5 CGBERN CNc1ncnc(Nc2ccc(Cl)cc2C)c1[N+](=O)[O-] ZINC000040590350 174346748 /nfs/dbraw/zinc/34/67/48/174346748.db2.gz QUBOQFZWBPQXHT-UHFFFAOYSA-N 0 0 293.714 3.132 10 5 CGBERN CCOc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040649091 174364900 /nfs/dbraw/zinc/36/49/00/174364900.db2.gz ILGCISDLZYXEPH-UHFFFAOYSA-N 0 0 294.698 3.181 10 5 CGBERN Cn1cc(C(F)F)c(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000725271075 544115363 /nfs/dbraw/zinc/11/53/63/544115363.db2.gz WQWWURVGXGFGAD-UHFFFAOYSA-N 0 0 271.198 3.072 10 5 CGBERN CC(C)(C)OC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000082586206 275824721 /nfs/dbraw/zinc/82/47/21/275824721.db2.gz BWPXNUSEUAMUOF-UHFFFAOYSA-N 0 0 278.308 3.283 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2ccco2)n1 ZINC000178227447 278864197 /nfs/dbraw/zinc/86/41/97/278864197.db2.gz CBMFGZKZYUQARX-NSHDSACASA-N 0 0 273.292 3.233 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301474606 280662336 /nfs/dbraw/zinc/66/23/36/280662336.db2.gz NCHDFLQFRUXDLJ-STQMWFEESA-N 0 0 258.321 3.306 10 5 CGBERN Cc1ccc([N+](=O)[O-])c2c1N(C(=O)OC(C)(C)C)CC2 ZINC000034761568 281015802 /nfs/dbraw/zinc/01/58/02/281015802.db2.gz GPIHXWKIJSWGLX-UHFFFAOYSA-N 0 0 278.308 3.201 10 5 CGBERN Cc1[nH]nc(-c2cccc([N+](=O)[O-])c2)c1C(F)(F)F ZINC000536960164 330384118 /nfs/dbraw/zinc/38/41/18/330384118.db2.gz PIXGSJLZDFKLEU-UHFFFAOYSA-N 0 0 271.198 3.312 10 5 CGBERN CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000061569727 522066795 /nfs/dbraw/zinc/06/67/95/522066795.db2.gz YTWBFQSDDUULAZ-SECBINFHSA-N 0 0 250.298 3.032 10 5 CGBERN CN(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1N ZINC000052841415 523638960 /nfs/dbraw/zinc/63/89/60/523638960.db2.gz LJMDIIFASMKUGK-UHFFFAOYSA-N 0 0 261.256 3.084 10 5 CGBERN Cc1cc(F)ccc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840377 524997850 /nfs/dbraw/zinc/99/78/50/524997850.db2.gz BJQOYFVCTPKOTR-UHFFFAOYSA-N 0 0 261.256 3.368 10 5 CGBERN CSC(C)(C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000156861425 525290378 /nfs/dbraw/zinc/29/03/78/525290378.db2.gz ZRJKIAAKIZLNKK-UHFFFAOYSA-N 0 0 258.318 3.287 10 5 CGBERN C[C@@H](NCc1ccc([N+](=O)[O-])o1)c1ccsc1 ZINC000061361460 525527955 /nfs/dbraw/zinc/52/79/55/525527955.db2.gz QXYDDIKPQQUXOG-MRVPVSSYSA-N 0 0 252.295 3.100 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C1CCC1 ZINC000102875166 525559015 /nfs/dbraw/zinc/55/90/15/525559015.db2.gz BUXONLUSWRFXGM-OAHLLOKOSA-N 0 0 288.347 3.308 10 5 CGBERN O=C(O[C@@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000004990601 526434970 /nfs/dbraw/zinc/43/49/70/526434970.db2.gz CZAWBUYDUCGIDG-QIMFLAQGSA-N 0 0 275.304 3.330 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1N1Cc2ccccc2C1 ZINC000050912852 527355920 /nfs/dbraw/zinc/35/59/20/527355920.db2.gz DMEQIGCVXPLTPX-UHFFFAOYSA-N 0 0 275.695 3.163 10 5 CGBERN CCn1ccnc1CNc1c(C)ccc([N+](=O)[O-])c1C ZINC000124768185 536111264 /nfs/dbraw/zinc/11/12/64/536111264.db2.gz PVKALOGKNPEUMM-UHFFFAOYSA-N 0 0 274.324 3.040 10 5 CGBERN CCc1ccc(OC(=O)[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000176143910 618424201 /nfs/dbraw/zinc/42/42/01/618424201.db2.gz ZJMNFABEYXGAII-NWDGAFQWSA-N 0 0 275.304 3.109 10 5 CGBERN CCCCO[C@H](C)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000103675854 630395619 /nfs/dbraw/zinc/39/56/19/630395619.db2.gz YYLWQLDSRODEIE-NWDGAFQWSA-N 0 0 295.335 3.404 10 5 CGBERN CCOc1cc(/C=C/[N+](=O)[O-])cc(SCC)c1OC ZINC000037628348 344952117 /nfs/dbraw/zinc/95/21/17/344952117.db2.gz YTERRHXIBOIEMU-VOTSOKGWSA-N 0 0 283.349 3.453 10 5 CGBERN CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)nc1C ZINC000072416671 345409554 /nfs/dbraw/zinc/40/95/54/345409554.db2.gz OONOUNJBCKJXCH-UHFFFAOYSA-N 0 0 256.261 3.168 10 5 CGBERN COc1cc(N2C[C@H]3CC=CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000078371852 345604576 /nfs/dbraw/zinc/60/45/76/345604576.db2.gz UJKDZNUIQXDEAS-VXGBXAGGSA-N 0 0 274.320 3.006 10 5 CGBERN O=c1[nH]ccc(-c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000088240827 345758492 /nfs/dbraw/zinc/75/84/92/345758492.db2.gz BMLJPVQOFZQSQT-UHFFFAOYSA-N 0 0 266.256 3.103 10 5 CGBERN Cc1cc2c(c(C)c1[N+](=O)[O-])CCN2Cc1cccnc1 ZINC000117025556 345980821 /nfs/dbraw/zinc/98/08/21/345980821.db2.gz XKJFFHTTWFFWOP-UHFFFAOYSA-N 0 0 283.331 3.169 10 5 CGBERN O=C(C[C@@H](C[N+](=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000137158566 346093245 /nfs/dbraw/zinc/09/32/45/346093245.db2.gz VKFYUNNVODDQAU-AWEZNQCLSA-N 0 0 287.290 3.459 10 5 CGBERN CSc1cc(F)c(Br)c([N+](=O)[O-])c1 ZINC000306166909 346451092 /nfs/dbraw/zinc/45/10/92/346451092.db2.gz DJQLBKVYIALYHZ-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1c(Br)ccc(F)c1C(F)F ZINC000306814433 346457981 /nfs/dbraw/zinc/45/79/81/346457981.db2.gz BURQBBZGFUWVKD-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000117578399 186753165 /nfs/dbraw/zinc/75/31/65/186753165.db2.gz HNGVQAIRPBHNJE-BMIGLBTASA-N 0 0 298.298 3.098 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](O)C1CCCC1 ZINC000301296188 200966935 /nfs/dbraw/zinc/96/69/35/200966935.db2.gz RVBDLNRODLEDOH-CYBMUJFWSA-N 0 0 284.743 3.211 10 5 CGBERN COc1cc(N[C@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000301794787 201201761 /nfs/dbraw/zinc/20/17/61/201201761.db2.gz STVJXCPVICYLBP-VHSXEESVSA-N 0 0 298.314 3.112 10 5 CGBERN O=[N+]([O-])c1ccc(-c2nnc(Nc3ccccc3)s2)o1 ZINC000001664894 368428032 /nfs/dbraw/zinc/42/80/32/368428032.db2.gz FWSYYTQNROEZQP-UHFFFAOYSA-N 0 0 288.288 3.450 10 5 CGBERN CC[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(C)C ZINC000050037879 369426423 /nfs/dbraw/zinc/42/64/23/369426423.db2.gz DGVZFUVAZHZNLJ-NSHDSACASA-N 0 0 286.278 3.037 10 5 CGBERN CCc1cnc([C@@H](C)Nc2ncccc2[N+](=O)[O-])s1 ZINC000134927486 371376898 /nfs/dbraw/zinc/37/68/98/371376898.db2.gz ATLQMRKRHOKIHN-MRVPVSSYSA-N 0 0 278.337 3.182 10 5 CGBERN CC1(C)C[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000149004065 371526092 /nfs/dbraw/zinc/52/60/92/371526092.db2.gz IWMWUVLMHATWIU-LBPRGKRZSA-N 0 0 282.315 3.492 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])o1 ZINC000173089335 373088375 /nfs/dbraw/zinc/08/83/75/373088375.db2.gz CTBNWZDJHNLEKX-LLVKDONJSA-N 0 0 288.303 3.296 10 5 CGBERN O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000301260191 373717239 /nfs/dbraw/zinc/71/72/39/373717239.db2.gz UYCZYISPUOYUIJ-AWEZNQCLSA-N 0 0 283.331 3.286 10 5 CGBERN CSc1cc(Br)c([N+](=O)[O-])cc1C ZINC000307003340 374141596 /nfs/dbraw/zinc/14/15/96/374141596.db2.gz CYSXFEMJSQHIOJ-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000214727916 376144456 /nfs/dbraw/zinc/14/44/56/376144456.db2.gz RVGXJPACNYTQSI-QMTHXVAHSA-N 0 0 287.319 3.122 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000227759933 376409741 /nfs/dbraw/zinc/40/97/41/376409741.db2.gz UEBMMNCCFYUJLI-NWDGAFQWSA-N 0 0 264.325 3.273 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000227760062 376410119 /nfs/dbraw/zinc/41/01/19/376410119.db2.gz FSBMBSLSKGTYLB-KOLCDFICSA-N 0 0 268.288 3.103 10 5 CGBERN Cc1cnc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000226547713 376363009 /nfs/dbraw/zinc/36/30/09/376363009.db2.gz MIIOMAMLDFAPSZ-QMMMGPOBSA-N 0 0 265.244 3.203 10 5 CGBERN CCOc1cc(N[C@@H]2C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000226570524 376365054 /nfs/dbraw/zinc/36/50/54/376365054.db2.gz VBLWXEAPIKXTCR-GXSJLCMTSA-N 0 0 250.298 3.204 10 5 CGBERN CC(=O)c1cc(OC(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575667734 377945470 /nfs/dbraw/zinc/94/54/70/377945470.db2.gz QTFRRSVTMUQTNE-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1cc(OC(F)F)cc(C(F)F)c1[N+](=O)[O-] ZINC000575669057 377946350 /nfs/dbraw/zinc/94/63/50/377946350.db2.gz XTODLMTXPSDMJT-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CCOC(=O)c1cc(C(F)(F)F)cc(C)c1[N+](=O)[O-] ZINC000575673158 377948312 /nfs/dbraw/zinc/94/83/12/377948312.db2.gz DUZIXWAQXIBYHX-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CCOC(=O)c1c([N+](=O)[O-])cc(C)cc1C(F)(F)F ZINC000575673171 377948781 /nfs/dbraw/zinc/94/87/81/377948781.db2.gz DYOFENIDSIZPLS-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ccc(F)cc2)nc1Cl ZINC000575434259 377908652 /nfs/dbraw/zinc/90/86/52/377908652.db2.gz KBSFAFMYIMCZBF-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ccccc2F)nc1Cl ZINC000575434011 377908723 /nfs/dbraw/zinc/90/87/23/377908723.db2.gz CFXXVGHNKQJWBH-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(Br)c1C(F)F ZINC000575685907 377960861 /nfs/dbraw/zinc/96/08/61/377960861.db2.gz NJRYOMKCIUJGRF-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN COC(=O)c1c(C(F)(F)F)ccc(Cl)c1[N+](=O)[O-] ZINC000575713149 377982589 /nfs/dbraw/zinc/98/25/89/377982589.db2.gz QGLMCUDBDAQGMX-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000408470229 380014002 /nfs/dbraw/zinc/01/40/02/380014002.db2.gz QEULUBKWOKPULQ-MFKMUULPSA-N 0 0 279.315 3.288 10 5 CGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000408470228 380014611 /nfs/dbraw/zinc/01/46/11/380014611.db2.gz QEULUBKWOKPULQ-GXFFZTMASA-N 0 0 279.315 3.288 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3cccc(F)c3)c2c1 ZINC000091364397 285141409 /nfs/dbraw/zinc/14/14/09/285141409.db2.gz QINRTIGDDLJTLK-UHFFFAOYSA-N 0 0 257.224 3.277 10 5 CGBERN C[C@@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000192468904 130452530 /nfs/dbraw/zinc/45/25/30/130452530.db2.gz KAFHARSSYFALPG-JTQLQIEISA-N 0 0 293.348 3.069 10 5 CGBERN Cc1cccc([N+](=O)[O-])c1NCCC1=CCOCC1 ZINC000158143290 392557251 /nfs/dbraw/zinc/55/72/51/392557251.db2.gz UQURGHSMIKFDEL-UHFFFAOYSA-N 0 0 262.309 3.052 10 5 CGBERN C[C@@H]1C[C@@H](CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000281841196 393356641 /nfs/dbraw/zinc/35/66/41/393356641.db2.gz LKCSGFLCASOCHK-ZSBIGDGJSA-N 0 0 264.325 3.210 10 5 CGBERN Cc1ccc(N2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301472050 397674324 /nfs/dbraw/zinc/67/43/24/397674324.db2.gz KMOAQJOEGCYQRW-WDEREUQCSA-N 0 0 266.366 3.233 10 5 CGBERN CCS[C@@H]1CC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000078586419 165135769 /nfs/dbraw/zinc/13/57/69/165135769.db2.gz BARPFVMXAXNFQD-WDEREUQCSA-N 0 0 281.381 3.384 10 5 CGBERN CCn1c(C)nc2cc(C(F)(F)F)c([N+](=O)[O-])cc21 ZINC000005317352 170085045 /nfs/dbraw/zinc/08/50/45/170085045.db2.gz LAODWIJWEKBHTP-UHFFFAOYSA-N 0 0 273.214 3.292 10 5 CGBERN O=C1Nc2c3c1cccc3c([N+](=O)[O-])cc2Br ZINC000011691491 170432904 /nfs/dbraw/zinc/43/29/04/170432904.db2.gz MQHGDQKIJPWIHO-UHFFFAOYSA-N 0 0 293.076 3.076 10 5 CGBERN C/C=C/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000021125510 171298072 /nfs/dbraw/zinc/29/80/72/171298072.db2.gz FGSXDPHYNGHHGD-MQQKCMAXSA-N 0 0 266.684 3.319 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1cccc(F)c1 ZINC000034938845 171898659 /nfs/dbraw/zinc/89/86/59/171898659.db2.gz CICYEGIKGJUSLO-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN C[C@H](O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000035188703 172043173 /nfs/dbraw/zinc/04/31/73/172043173.db2.gz NUJYZNUDMZTTEY-NSHDSACASA-N 0 0 273.288 3.227 10 5 CGBERN CN[C@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 ZINC000035497917 172231508 /nfs/dbraw/zinc/23/15/08/172231508.db2.gz BKQKTQTYNXADIU-SNVBAGLBSA-N 0 0 272.713 3.212 10 5 CGBERN C[C@H](NCc1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000037217321 173035887 /nfs/dbraw/zinc/03/58/87/173035887.db2.gz MMUPNQKHIRIIMV-VIFPVBQESA-N 0 0 264.256 3.178 10 5 CGBERN Cc1ccc(F)c(NCc2ccc([N+](=O)[O-])o2)c1 ZINC000037245444 173059732 /nfs/dbraw/zinc/05/97/32/173059732.db2.gz CMAALGQKVYOUCJ-UHFFFAOYSA-N 0 0 250.229 3.247 10 5 CGBERN O=[N+]([O-])c1cc(-c2cccc(F)c2)cnc1Cl ZINC000041322651 174519062 /nfs/dbraw/zinc/51/90/62/174519062.db2.gz LNKCOFSVTKZDOO-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN CCCCSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000045902955 175386265 /nfs/dbraw/zinc/38/62/65/175386265.db2.gz JNNNVFLMESTHJH-UHFFFAOYSA-N 0 0 251.311 3.363 10 5 CGBERN Cc1ncsc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000071213216 176085010 /nfs/dbraw/zinc/08/50/10/176085010.db2.gz XMGAYPYXZYHUEM-UHFFFAOYSA-N 0 0 267.285 3.111 10 5 CGBERN C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000390699543 262242356 /nfs/dbraw/zinc/24/23/56/262242356.db2.gz KCBAYQRXABKSFK-GFCCVEGCSA-N 0 0 287.319 3.007 10 5 CGBERN CC(C)(C)OC(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000299889574 518859218 /nfs/dbraw/zinc/85/92/18/518859218.db2.gz LEDNGPGWTHFMPE-UHFFFAOYSA-N 0 0 263.702 3.265 10 5 CGBERN CC[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161427513 523164539 /nfs/dbraw/zinc/16/45/39/523164539.db2.gz YAAYSQFFENZKDK-LLVKDONJSA-N 0 0 291.351 3.041 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(F)c1Oc1cccc(O)c1 ZINC000053165538 527357250 /nfs/dbraw/zinc/35/72/50/527357250.db2.gz OBBJUNOJVROKNU-UHFFFAOYSA-N 0 0 267.187 3.371 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074768553 529219463 /nfs/dbraw/zinc/21/94/63/529219463.db2.gz APMSUMJNWHWGRQ-GHMZBOCLSA-N 0 0 281.381 3.384 10 5 CGBERN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccs1 ZINC000051928956 618668426 /nfs/dbraw/zinc/66/84/26/618668426.db2.gz JLAQLFAAIUQTAE-QMMMGPOBSA-N 0 0 292.316 3.157 10 5 CGBERN CC(C)=CC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176943829 618767697 /nfs/dbraw/zinc/76/76/97/618767697.db2.gz FYYXMVBKFVEGGH-NSHDSACASA-N 0 0 263.293 3.474 10 5 CGBERN Cc1cnc([C@@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000230645538 623255976 /nfs/dbraw/zinc/25/59/76/623255976.db2.gz WSJLEKXNANXLCI-SECBINFHSA-N 0 0 295.726 3.395 10 5 CGBERN CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000324342421 623800178 /nfs/dbraw/zinc/80/01/78/623800178.db2.gz NADQSGCVAKDIRS-NSHDSACASA-N 0 0 288.294 3.351 10 5 CGBERN C[C@H]1C[C@@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730596 625706051 /nfs/dbraw/zinc/70/60/51/625706051.db2.gz ZRELWLOUCFRMQR-XPUUQOCRSA-N 0 0 271.114 3.178 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)C1CCCC1 ZINC000070307316 624997645 /nfs/dbraw/zinc/99/76/45/624997645.db2.gz AGUWEJMQXWMRNP-MRVPVSSYSA-N 0 0 276.296 3.122 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000018181067 344889295 /nfs/dbraw/zinc/88/92/95/344889295.db2.gz RCYADHXCQILDKD-SNVBAGLBSA-N 0 0 289.291 3.379 10 5 CGBERN O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000034079511 344938008 /nfs/dbraw/zinc/93/80/08/344938008.db2.gz MRKQOPNXYVKWKY-UHFFFAOYSA-N 0 0 281.271 3.328 10 5 CGBERN CC(=O)c1ccc2oc3ccc(C(C)=O)cc3c(=O)c2c1 ZINC000039209310 344958692 /nfs/dbraw/zinc/95/86/92/344958692.db2.gz IHPGSKNKANEQBM-UHFFFAOYSA-N 0 0 280.279 3.351 10 5 CGBERN CCO[P@@](=O)(CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000117826210 345986167 /nfs/dbraw/zinc/98/61/67/345986167.db2.gz JNHQQNQUXUGBIY-KRWDZBQOSA-N 0 0 257.226 3.429 10 5 CGBERN CC(C)COCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000097476916 185613356 /nfs/dbraw/zinc/61/33/56/185613356.db2.gz HMXYDLYMOXMIEK-UHFFFAOYSA-N 0 0 272.732 3.333 10 5 CGBERN O=[N+]([O-])C[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000196382993 346275711 /nfs/dbraw/zinc/27/57/11/346275711.db2.gz DEQFCKVCMYRTMR-MRVPVSSYSA-N 0 0 268.527 3.417 10 5 CGBERN Cc1cc(I)cc(Cl)c1[N+](=O)[O-] ZINC000307446716 346462879 /nfs/dbraw/zinc/46/28/79/346462879.db2.gz WZXFPVUKKBWKSD-UHFFFAOYSA-N 0 0 297.479 3.161 10 5 CGBERN O=[N+]([O-])c1cc(F)c(SC(F)(F)F)cc1F ZINC000396111558 346579319 /nfs/dbraw/zinc/57/93/19/346579319.db2.gz DTJJONYVTXLVJI-UHFFFAOYSA-N 0 0 259.155 3.485 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)cnc1C(F)(F)F ZINC000514282153 346638094 /nfs/dbraw/zinc/63/80/94/346638094.db2.gz HEKZMPXEDDCQFN-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=c1[nH]c2ccccc2c(=O)c2cccc(Cl)c21 ZINC000584638222 346701780 /nfs/dbraw/zinc/70/17/80/346701780.db2.gz XLERVKNJXUHZOS-UHFFFAOYSA-N 0 0 257.676 3.107 10 5 CGBERN COc1cc(OCc2cccc([N+](=O)[O-])c2)ccc1C ZINC000584593268 346686413 /nfs/dbraw/zinc/68/64/13/346686413.db2.gz AKVPZENWKMEGDO-UHFFFAOYSA-N 0 0 273.288 3.491 10 5 CGBERN Cc1c[nH]c2c1cc(Br)cc2[N+](=O)[O-] ZINC000584618527 346694654 /nfs/dbraw/zinc/69/46/54/346694654.db2.gz WMCRKCQVFDECAB-UHFFFAOYSA-N 0 0 255.071 3.147 10 5 CGBERN Cc1ccc2nn([C@@H](C[N+](=O)[O-])c3ccccc3)cc2c1 ZINC000584626410 346697810 /nfs/dbraw/zinc/69/78/10/346697810.db2.gz KYIMSRBUPKDZQU-INIZCTEOSA-N 0 0 281.315 3.211 10 5 CGBERN CCOC(=O)c1cc(SC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000091252808 180114672 /nfs/dbraw/zinc/11/46/72/180114672.db2.gz PMOXFKXZMJOERV-UHFFFAOYSA-N 0 0 295.238 3.383 10 5 CGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000116041322 186692533 /nfs/dbraw/zinc/69/25/33/186692533.db2.gz AQIXSKNIGSPQPM-ZDUSSCGKSA-N 0 0 286.287 3.165 10 5 CGBERN Cc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105795763 138353059 /nfs/dbraw/zinc/35/30/59/138353059.db2.gz AWHBUFRNKNHZBZ-UHFFFAOYSA-N 0 0 282.303 3.392 10 5 CGBERN COc1cc(NCc2nc(C)sc2C)ccc1[N+](=O)[O-] ZINC000301836236 201224053 /nfs/dbraw/zinc/22/40/53/201224053.db2.gz LRXMYNPWJZXVDE-UHFFFAOYSA-N 0 0 293.348 3.289 10 5 CGBERN Cc1nc(CNc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000301847839 201229445 /nfs/dbraw/zinc/22/94/45/201229445.db2.gz VCYPZYBLGLKTGV-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN CCC(CC)[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302018620 201300775 /nfs/dbraw/zinc/30/07/75/201300775.db2.gz DFKVIIVQELENPB-CQSZACIVSA-N 0 0 292.379 3.350 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218866894 376191800 /nfs/dbraw/zinc/19/18/00/376191800.db2.gz FYHJQJBVTFTBRU-PSASIEDQSA-N 0 0 268.288 3.343 10 5 CGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000049091685 369387060 /nfs/dbraw/zinc/38/70/60/369387060.db2.gz SFGGBYIYAZBSRH-LBPRGKRZSA-N 0 0 284.743 3.413 10 5 CGBERN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000227012759 189779529 /nfs/dbraw/zinc/77/95/29/189779529.db2.gz CBECZVJJXZZLTJ-ZANVPECISA-N 0 0 257.293 3.353 10 5 CGBERN Cc1ccc(CN[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000070070233 369777779 /nfs/dbraw/zinc/77/77/79/369777779.db2.gz AMWIRMHHGSZLAM-CQSZACIVSA-N 0 0 284.315 3.127 10 5 CGBERN CCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377628 370325709 /nfs/dbraw/zinc/32/57/09/370325709.db2.gz NKYVRLPUTCYCET-SNVBAGLBSA-N 0 0 262.309 3.063 10 5 CGBERN Cc1ccc(N[C@@H]2CCCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000135797609 371448602 /nfs/dbraw/zinc/44/86/02/371448602.db2.gz JUOSNZFIGNUSJL-TZMCWYRMSA-N 0 0 264.325 3.009 10 5 CGBERN C[C@H](C[C@H]1CCCO1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302789591 373963428 /nfs/dbraw/zinc/96/34/28/373963428.db2.gz FDMBIYHILYVNSU-MWLCHTKSSA-N 0 0 268.288 3.103 10 5 CGBERN CSc1cc(F)c([N+](=O)[O-])cc1Br ZINC000307114394 374143345 /nfs/dbraw/zinc/14/33/45/374143345.db2.gz SWVQFWFLQJTDHT-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226818473 376374584 /nfs/dbraw/zinc/37/45/84/376374584.db2.gz WZVPINTVAFKNST-KWQFWETISA-N 0 0 282.727 3.167 10 5 CGBERN CC[C@H]1C[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000227014557 376377981 /nfs/dbraw/zinc/37/79/81/376377981.db2.gz ILLKNJUMJCBUPM-ZANVPECISA-N 0 0 257.293 3.353 10 5 CGBERN COc1cc(N[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000070530236 249005029 /nfs/dbraw/zinc/00/50/29/249005029.db2.gz YMQQGQVDAVCKME-LBPRGKRZSA-N 0 0 286.287 3.149 10 5 CGBERN O=[N+]([O-])c1c(CO)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575381190 377892681 /nfs/dbraw/zinc/89/26/81/377892681.db2.gz ZYXHXWLXGCLAOY-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(OCC)c1Br ZINC000575681473 377955697 /nfs/dbraw/zinc/95/56/97/377955697.db2.gz WYJSUIFXEJFYRS-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(CC)c1OC(F)F ZINC000575656429 377933777 /nfs/dbraw/zinc/93/37/77/377933777.db2.gz RVXUSIRTHLTKBB-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)(F)F)c(OC(F)F)cc1F ZINC000575661305 377937172 /nfs/dbraw/zinc/93/71/72/377937172.db2.gz KZBBUEKHAMAQBW-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(OC(F)F)c1OC(F)(F)F ZINC000575661451 377938664 /nfs/dbraw/zinc/93/86/64/377938664.db2.gz QANQDIDLEKUCPH-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN CC(=O)c1c(C(F)(F)F)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575668247 377945328 /nfs/dbraw/zinc/94/53/28/377945328.db2.gz SXNXOHYZCPPZKR-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1cc([N+](=O)[O-])c(OC(F)F)cc1C(F)F ZINC000575667316 377945533 /nfs/dbraw/zinc/94/55/33/377945533.db2.gz MFGAGDDADCVMJH-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CC(=O)c1c(Br)c(Cl)ccc1[N+](=O)[O-] ZINC000575677750 377952689 /nfs/dbraw/zinc/95/26/89/377952689.db2.gz OPGSZSNIDWNNHD-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN COc1cc([N+](=O)[O-])c(Br)cc1C(F)F ZINC000575684884 377960162 /nfs/dbraw/zinc/96/01/62/377960162.db2.gz HYENROWZYISFEK-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1Cl ZINC000575693648 377968118 /nfs/dbraw/zinc/96/81/18/377968118.db2.gz CWRPXEZWDSSKQB-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN O=Cc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575694190 377968206 /nfs/dbraw/zinc/96/82/06/377968206.db2.gz KBZQJCVFTGBNRY-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(C(C)=O)c(C(F)(F)F)c1 ZINC000575699928 377972669 /nfs/dbraw/zinc/97/26/69/377972669.db2.gz YPHDIWBFUJWDEP-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCc3ccccc32)nc1 ZINC000048391450 285135544 /nfs/dbraw/zinc/13/55/44/285135544.db2.gz YNDYLTWPQDTTNE-CYBMUJFWSA-N 0 0 255.277 3.089 10 5 CGBERN O=[N+]([O-])c1cnc(N2C[C@@H]3CC=CC[C@H]3C2)c(Cl)c1 ZINC000301459668 285179622 /nfs/dbraw/zinc/17/96/22/285179622.db2.gz ZSZZLDKVPUKYAW-UWVGGRQHSA-N 0 0 279.727 3.046 10 5 CGBERN COc1ccc([N+](=O)[O-])cc1CSCc1cc(C)on1 ZINC000105626223 392292938 /nfs/dbraw/zinc/29/29/38/392292938.db2.gz GEOIACKJHWGEJG-UHFFFAOYSA-N 0 0 294.332 3.333 10 5 CGBERN CSc1cc(C)cc(Br)c1[N+](=O)[O-] ZINC000306669544 397678708 /nfs/dbraw/zinc/67/87/08/397678708.db2.gz BCHZTLZGURTNFI-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000408198300 292285379 /nfs/dbraw/zinc/28/53/79/292285379.db2.gz LZXVRSSXWYCBCL-ZDUSSCGKSA-N 0 0 290.363 3.299 10 5 CGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCCC[C@@H]1O ZINC000086016413 165182142 /nfs/dbraw/zinc/18/21/42/165182142.db2.gz MFNAMECMMKFTQX-SKDRFNHKSA-N 0 0 284.743 3.211 10 5 CGBERN C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005062728 170062536 /nfs/dbraw/zinc/06/25/36/170062536.db2.gz YYBPIMKCVYDOIW-VRHDASFESA-N 0 0 288.347 3.303 10 5 CGBERN CCN1c2ccccc2Oc2ccc([N+](=O)[O-])cc2C1=O ZINC000006385233 170196895 /nfs/dbraw/zinc/19/68/95/170196895.db2.gz ALJYHMMVKRGSFH-UHFFFAOYSA-N 0 0 284.271 3.367 10 5 CGBERN COc1ccc2c(c1)oc(=O)c1cc(C(C)=O)ccc21 ZINC000013558836 170562305 /nfs/dbraw/zinc/56/23/05/170562305.db2.gz FWTOKBXCPIENSR-UHFFFAOYSA-N 0 0 268.268 3.157 10 5 CGBERN CC(C)[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020298529 171138241 /nfs/dbraw/zinc/13/82/41/171138241.db2.gz WGKJBVQRPPTQLK-MRVPVSSYSA-N 0 0 270.716 3.023 10 5 CGBERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000020298748 171138294 /nfs/dbraw/zinc/13/82/94/171138294.db2.gz JNGFFURJBCUVBA-UHFFFAOYSA-N 0 0 284.315 3.352 10 5 CGBERN Cc1ccc(Sc2ccccc2C(N)=O)c([N+](=O)[O-])c1 ZINC000021988730 171346002 /nfs/dbraw/zinc/34/60/02/171346002.db2.gz ZTXOWSPCPZAVEF-UHFFFAOYSA-N 0 0 288.328 3.153 10 5 CGBERN O=c1ccc2c(cc3oc4ccccc4c3c2CO)o1 ZINC000026742013 171497771 /nfs/dbraw/zinc/49/77/71/171497771.db2.gz LSEQNBQPWNGHQY-UHFFFAOYSA-N 0 0 266.252 3.185 10 5 CGBERN C[C@@H](O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000035631144 172312818 /nfs/dbraw/zinc/31/28/18/172312818.db2.gz YOCCWWWGSQOVSJ-LLVKDONJSA-N 0 0 264.325 3.029 10 5 CGBERN O=[N+]([O-])c1ccc(CSc2ccc(O)cc2)o1 ZINC000038079161 174089181 /nfs/dbraw/zinc/08/91/81/174089181.db2.gz PDSPPNRIJCKWAC-UHFFFAOYSA-N 0 0 251.263 3.186 10 5 CGBERN CC(C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000039975870 174180629 /nfs/dbraw/zinc/18/06/29/174180629.db2.gz ZHPISPVWLBOBJS-UHFFFAOYSA-N 0 0 281.311 3.084 10 5 CGBERN CC(C)CN(CC(C)C)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571219 174338563 /nfs/dbraw/zinc/33/85/63/174338563.db2.gz JDFUPBAEDCSCNG-UHFFFAOYSA-N 0 0 286.763 3.157 10 5 CGBERN Cc1ccc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597691 174349461 /nfs/dbraw/zinc/34/94/61/174349461.db2.gz UJMXXJJSULTFSK-UHFFFAOYSA-N 0 0 288.307 3.306 10 5 CGBERN O=[N+]([O-])c1cc(-c2ccc(F)cc2)cnc1Cl ZINC000041322652 174518927 /nfs/dbraw/zinc/51/89/27/174518927.db2.gz QKWIXPGFNVBCGZ-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248427506 287765039 /nfs/dbraw/zinc/76/50/39/287765039.db2.gz OSWYMURRIMBQLG-UGFHNGPFSA-N 0 0 288.347 3.246 10 5 CGBERN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248443413 287765807 /nfs/dbraw/zinc/76/58/07/287765807.db2.gz VUKXMXLFUZHYIW-ADEWGFFLSA-N 0 0 294.376 3.307 10 5 CGBERN CCO[C@H]1C[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000148952170 276366513 /nfs/dbraw/zinc/36/65/13/276366513.db2.gz AARVBSMUTXFWSO-KBPBESRZSA-N 0 0 294.326 3.494 10 5 CGBERN COc1cc2c3c(cc4ccccc4c3c1O)NC2=O ZINC000013484719 277395184 /nfs/dbraw/zinc/39/51/84/277395184.db2.gz KBGNBPGXVKPRQI-UHFFFAOYSA-N 0 0 265.268 3.273 10 5 endogenous,in-man CGBERN CC(C)OCC(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000396408571 288013296 /nfs/dbraw/zinc/01/32/96/288013296.db2.gz FEXQBTVKGLKUEE-UHFFFAOYSA-N 0 0 252.314 3.210 10 5 CGBERN CC1(C)C[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000149004257 278370202 /nfs/dbraw/zinc/37/02/02/278370202.db2.gz IWMWUVLMHATWIU-GFCCVEGCSA-N 0 0 282.315 3.492 10 5 CGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)C ZINC000161112555 321862397 /nfs/dbraw/zinc/86/23/97/321862397.db2.gz PSPHOKTWNXBABE-SNVBAGLBSA-N 0 0 296.392 3.481 10 5 CGBERN CC(C)[C@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)O ZINC000061688595 519816663 /nfs/dbraw/zinc/81/66/63/519816663.db2.gz GSTFRVIODABVIM-CABZTGNLSA-N 0 0 271.744 3.444 10 5 CGBERN CCCC[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000050889474 521153038 /nfs/dbraw/zinc/15/30/38/521153038.db2.gz MBXGWEVLMMSPMK-QMMMGPOBSA-N 0 0 264.285 3.122 10 5 CGBERN CNc1c(C(=O)N2CCCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000161492665 522533772 /nfs/dbraw/zinc/53/37/72/522533772.db2.gz GYYIEYKYLWPVPJ-LLVKDONJSA-N 0 0 291.351 3.041 10 5 CGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000049252359 522538675 /nfs/dbraw/zinc/53/86/75/522538675.db2.gz CPBZDXKHNRCABS-LBPRGKRZSA-N 0 0 284.743 3.413 10 5 CGBERN Cc1ccccc1OCc1cc([N+](=O)[O-])ccc1N ZINC000050831001 525314728 /nfs/dbraw/zinc/31/47/28/525314728.db2.gz QAIXBXKAABETHX-UHFFFAOYSA-N 0 0 258.277 3.064 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)CCOC(C)C)cc1[N+](=O)[O-] ZINC000084809957 525754529 /nfs/dbraw/zinc/75/45/29/525754529.db2.gz DKDBGZOANVAPCP-GFCCVEGCSA-N 0 0 295.335 3.323 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(F)cc1 ZINC000052119264 527358695 /nfs/dbraw/zinc/35/86/95/527358695.db2.gz KNEQNIZLMMRYDG-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN CCCCOCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176940481 618763613 /nfs/dbraw/zinc/76/36/13/618763613.db2.gz ALMLIKJLWPCIOO-GFCCVEGCSA-N 0 0 295.335 3.324 10 5 CGBERN C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000150077850 622444725 /nfs/dbraw/zinc/44/47/25/622444725.db2.gz UIILRHYIQKRQRW-XCBNKYQSSA-N 0 0 272.251 3.122 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000233431836 624628558 /nfs/dbraw/zinc/62/85/58/624628558.db2.gz FAHQFAMLJLXWTR-VHSXEESVSA-N 0 0 280.324 3.213 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c([C@@H](O)c2ccccc2)c1 ZINC000034157543 344937515 /nfs/dbraw/zinc/93/75/15/344937515.db2.gz PGBMCWWBQMSDMC-ZDUSSCGKSA-N 0 0 263.680 3.330 10 5 CGBERN CCOc1cc(OC)c(OCC)cc1/C=C(\C)[N+](=O)[O-] ZINC000037627968 344952154 /nfs/dbraw/zinc/95/21/54/344952154.db2.gz BEAYMDCSUVZVFM-JXMROGBWSA-N 0 0 281.308 3.130 10 5 CGBERN Cc1ccc(C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000038125286 344954605 /nfs/dbraw/zinc/95/46/05/344954605.db2.gz RDHDEJRULGJOFE-UHFFFAOYSA-N 0 0 255.273 3.329 10 5 CGBERN Cc1cnc(CCNc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000078372959 345604461 /nfs/dbraw/zinc/60/44/61/345604461.db2.gz ZUYIGZLXGNETDP-UHFFFAOYSA-N 0 0 277.349 3.323 10 5 CGBERN CCO[P@](=O)(CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000117826213 345986403 /nfs/dbraw/zinc/98/64/03/345986403.db2.gz JNHQQNQUXUGBIY-QGZVFWFLSA-N 0 0 257.226 3.429 10 5 CGBERN O=[N+]([O-])c1cnc(Cl)nc1NCC1CCCCC1 ZINC000215694827 346289162 /nfs/dbraw/zinc/28/91/62/346289162.db2.gz BBIAUYYZHCPLCO-UHFFFAOYSA-N 0 0 270.720 3.030 10 5 CGBERN O=[N+]([O-])c1ccc(I)c(C(F)F)c1 ZINC000238690503 346350130 /nfs/dbraw/zinc/35/01/30/346350130.db2.gz GYSCBNCALZDKKB-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN CSc1c(F)c([N+](=O)[O-])ccc1Br ZINC000306822668 346458060 /nfs/dbraw/zinc/45/80/60/346458060.db2.gz NXLZELOUDDEXEJ-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(Br)c1C(F)F ZINC000307168833 346460421 /nfs/dbraw/zinc/46/04/21/346460421.db2.gz WBYLFRFVRQWWKT-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)c(F)cc1Br ZINC000307407337 346462223 /nfs/dbraw/zinc/46/22/23/346462223.db2.gz NWDWWSOOIPYFCG-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN O=Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C(F)(F)F ZINC000514279737 346637920 /nfs/dbraw/zinc/63/79/20/346637920.db2.gz RGXVTGXCMTUHRB-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN COc1ccc(NCCNc2cccc([N+](=O)[O-])c2)cc1 ZINC000584614502 346692977 /nfs/dbraw/zinc/69/29/77/346692977.db2.gz UXFITSCRSCPWBP-UHFFFAOYSA-N 0 0 287.319 3.127 10 5 CGBERN Cc1ccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595431767 347302925 /nfs/dbraw/zinc/30/29/25/347302925.db2.gz OUNDKVKNMJDQCC-SNVBAGLBSA-N 0 0 278.283 3.486 10 5 CGBERN CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)C ZINC000149717202 187923271 /nfs/dbraw/zinc/92/32/71/187923271.db2.gz HPCUJFZWBWQTRI-LLVKDONJSA-N 0 0 284.743 3.413 10 5 CGBERN CCSC[C@@H](C)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000301746967 201174668 /nfs/dbraw/zinc/17/46/68/201174668.db2.gz QNFOLHRZLNQAIU-SECBINFHSA-N 0 0 272.345 3.312 10 5 CGBERN CCCC1(CNc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000301982223 201287191 /nfs/dbraw/zinc/28/71/91/201287191.db2.gz AJJPRXJYFBIOMM-UHFFFAOYSA-N 0 0 264.325 3.079 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC2(C1)CCCCC2 ZINC000302065096 201325882 /nfs/dbraw/zinc/32/58/82/201325882.db2.gz UCSBRKOJMBSHHR-UHFFFAOYSA-N 0 0 290.363 3.248 10 5 CGBERN CC[C@H](CSC)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218874004 376191822 /nfs/dbraw/zinc/19/18/22/376191822.db2.gz CMTKXEPKUMLOCI-SNVBAGLBSA-N 0 0 254.355 3.457 10 5 CGBERN CSc1ccc(C(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000017054448 368726675 /nfs/dbraw/zinc/72/66/75/368726675.db2.gz BIVBONKJUDOKFI-VIFPVBQESA-N 0 0 282.365 3.091 10 5 CGBERN O=[N+]([O-])c1ccc(SCN2CCCCC2)cc1 ZINC000031637862 368916395 /nfs/dbraw/zinc/91/63/95/368916395.db2.gz OSMZENFXZOWNLP-UHFFFAOYSA-N 0 0 252.339 3.130 10 5 CGBERN CC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000049091703 369387102 /nfs/dbraw/zinc/38/71/02/369387102.db2.gz SKIAYCFJFOXWQD-NSHDSACASA-N 0 0 284.743 3.413 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000230185793 189807594 /nfs/dbraw/zinc/80/75/94/189807594.db2.gz KDSRUOQDXRQTSZ-GHMZBOCLSA-N 0 0 281.381 3.384 10 5 CGBERN Nc1nnc(-c2ccccc2)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000066054807 369687149 /nfs/dbraw/zinc/68/71/49/369687149.db2.gz RCDOYVGRQOKBLK-UHFFFAOYSA-N 0 0 292.298 3.301 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(NCc3ccccc3)c2c1 ZINC000098178431 370267630 /nfs/dbraw/zinc/26/76/30/370267630.db2.gz FNIDKQFGLADOPA-UHFFFAOYSA-N 0 0 268.276 3.083 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000227759809 376409696 /nfs/dbraw/zinc/40/96/96/376409696.db2.gz CJDVTLHZSOYWNW-DGCLKSJQSA-N 0 0 264.325 3.273 10 5 CGBERN Cc1cnc([C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000230641987 376523050 /nfs/dbraw/zinc/52/30/50/376523050.db2.gz YXIZWFPEHVUACO-VIFPVBQESA-N 0 0 295.726 3.395 10 5 CGBERN Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379334 377891185 /nfs/dbraw/zinc/89/11/85/377891185.db2.gz GEMJZUMPCFLLGG-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN CC(=O)c1c([N+](=O)[O-])ccc(OC(F)F)c1C(F)(F)F ZINC000575667356 377945171 /nfs/dbraw/zinc/94/51/71/377945171.db2.gz MNVLTKUDGSGBDG-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN O=Cc1c(OC(F)F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575668079 377945283 /nfs/dbraw/zinc/94/52/83/377945283.db2.gz TYGFZETVRRPQLQ-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN COc1c(OC(F)F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575668945 377946456 /nfs/dbraw/zinc/94/64/56/377946456.db2.gz ZCPGUOCOEOYUOE-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN COc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C(F)F ZINC000575670847 377947218 /nfs/dbraw/zinc/94/72/18/377947218.db2.gz CWNDUMDTCQCQGS-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN COc1cc(OC(F)(F)F)cc(C(F)F)c1[N+](=O)[O-] ZINC000575670885 377947243 /nfs/dbraw/zinc/94/72/43/377947243.db2.gz DQYOWMJOOAKWIV-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN COc1c(C(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575672296 377948385 /nfs/dbraw/zinc/94/83/85/377948385.db2.gz XNTLVKUFCLAVEJ-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C)c1C(F)(F)F ZINC000575674604 377949509 /nfs/dbraw/zinc/94/95/09/377949509.db2.gz TVFNMHXQHAANGY-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN COc1ccc(C(F)F)c(Br)c1[N+](=O)[O-] ZINC000575684939 377960046 /nfs/dbraw/zinc/96/00/46/377960046.db2.gz IDQKDSLMLYQPJB-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN COc1cc(C(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575685614 377960766 /nfs/dbraw/zinc/96/07/66/377960766.db2.gz MFYFCWBDAPQZDV-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN COc1cc([N+](=O)[O-])c(C(F)F)cc1Br ZINC000575688139 377963437 /nfs/dbraw/zinc/96/34/37/377963437.db2.gz XZNZJQJJHGUQGT-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCOc1c(C(C)=O)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575698709 377971784 /nfs/dbraw/zinc/97/17/84/377971784.db2.gz FYSYFDBROSDMSY-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCCCC(C)(C)C1 ZINC000408334360 380005979 /nfs/dbraw/zinc/00/59/79/380005979.db2.gz OCDBAGVPGIWAJR-UHFFFAOYSA-N 0 0 280.372 3.136 10 5 CGBERN CC(C)n1nc(Br)c2c1cccc2[N+](=O)[O-] ZINC000095884000 392244250 /nfs/dbraw/zinc/24/42/50/392244250.db2.gz ZUCLEKYJVKQSDG-UHFFFAOYSA-N 0 0 284.113 3.288 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1N1CCc2ccccc2C1 ZINC000036925872 134516359 /nfs/dbraw/zinc/51/63/59/134516359.db2.gz LRUFUAOGJLJZNJ-UHFFFAOYSA-N 0 0 289.722 3.206 10 5 CGBERN CC(C)COCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000079943519 165149349 /nfs/dbraw/zinc/14/93/49/165149349.db2.gz NGJQDLLYQNOQBB-UHFFFAOYSA-N 0 0 289.335 3.228 10 5 CGBERN COc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1C ZINC000005941606 170159696 /nfs/dbraw/zinc/15/96/96/170159696.db2.gz VLWORJMQKYRMNE-UHFFFAOYSA-N 0 0 283.287 3.455 10 5 CGBERN C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000006470924 170203889 /nfs/dbraw/zinc/20/38/89/170203889.db2.gz MXRMEDULPNAQSD-YLSINNKHSA-N 0 0 296.326 3.485 10 5 CGBERN O=[N+]([O-])c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000020348945 171154372 /nfs/dbraw/zinc/15/43/72/171154372.db2.gz XWQLZSUQJGNSAM-UHFFFAOYSA-N 0 0 255.579 3.189 10 5 CGBERN C[C@@H]1CCCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020444914 171206213 /nfs/dbraw/zinc/20/62/13/171206213.db2.gz DNCSAGGNYZHXIQ-MFKMUULPSA-N 0 0 263.293 3.365 10 5 CGBERN C[C@H](O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000035627512 172306359 /nfs/dbraw/zinc/30/63/59/172306359.db2.gz VTELBBNLBFDMDE-NSHDSACASA-N 0 0 273.288 3.227 10 5 CGBERN CCCCN(CC)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631275 172313487 /nfs/dbraw/zinc/31/34/87/172313487.db2.gz FJDOJTMGMJJUSV-LLVKDONJSA-N 0 0 266.341 3.275 10 5 CGBERN COc1ccccc1Oc1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035632343 172315108 /nfs/dbraw/zinc/31/51/08/172315108.db2.gz KXOKHOHBNQKMDF-SNVBAGLBSA-N 0 0 289.287 3.449 10 5 CGBERN Cc1ccc(N[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000035693803 172362127 /nfs/dbraw/zinc/36/21/27/172362127.db2.gz FXENCCVBMPKGPL-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN Cc1ccc(NCc2ccc([N+](=O)[O-])o2)c(C)c1O ZINC000037316457 173117442 /nfs/dbraw/zinc/11/74/42/173117442.db2.gz QAOTYJHMIAHUOI-UHFFFAOYSA-N 0 0 262.265 3.122 10 5 CGBERN CC(C)(C)Nc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040581706 174344858 /nfs/dbraw/zinc/34/48/58/174344858.db2.gz QQPIBQVCSWLBPQ-UHFFFAOYSA-N 0 0 287.323 3.339 10 5 CGBERN CCNc1ncnc(Nc2cccc(C)c2C)c1[N+](=O)[O-] ZINC000040596201 174348873 /nfs/dbraw/zinc/34/88/73/174348873.db2.gz GDZYXFKWNSIJAR-UHFFFAOYSA-N 0 0 287.323 3.177 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1C[C@@H]1CCCCC[C@@H]1O ZINC000043658793 175085800 /nfs/dbraw/zinc/08/58/00/175085800.db2.gz IXPMLSJMYSRVHS-HZMBPMFUSA-N 0 0 267.300 3.218 10 5 CGBERN O=[N+]([O-])c1ccc(OCc2ccccc2)nc1NC1CC1 ZINC000071261384 176096264 /nfs/dbraw/zinc/09/62/64/176096264.db2.gz GFUCTNHZZRVFPM-UHFFFAOYSA-N 0 0 285.303 3.143 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000219361589 270085858 /nfs/dbraw/zinc/08/58/58/270085858.db2.gz KDMDKGMHVVXEOY-GZMMTYOYSA-N 0 0 260.297 3.072 10 5 CGBERN CC(C)(C)[C@@H](O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000324567899 270094371 /nfs/dbraw/zinc/09/43/71/270094371.db2.gz VUEXGJYMVDNEGT-JTQLQIEISA-N 0 0 272.732 3.067 10 5 CGBERN Cc1ccoc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103376870 281498822 /nfs/dbraw/zinc/49/88/22/281498822.db2.gz QDKYPJDYMGCJAM-SNVBAGLBSA-N 0 0 286.287 3.088 10 5 CGBERN CCCCN(CC)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000061569657 520484543 /nfs/dbraw/zinc/48/45/43/520484543.db2.gz HYZUNNSXZJZLMC-UHFFFAOYSA-N 0 0 264.325 3.424 10 5 CGBERN Cc1ccc(F)c(Nc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000050454713 524826534 /nfs/dbraw/zinc/82/65/34/524826534.db2.gz GAHRKPLVUGRVRO-UHFFFAOYSA-N 0 0 282.662 3.229 10 5 CGBERN C[C@H]1CCCC[C@@H]1OCc1cc([N+](=O)[O-])ccc1N ZINC000050831676 526259207 /nfs/dbraw/zinc/25/92/07/526259207.db2.gz FORUWPURTDZZKI-HZMBPMFUSA-N 0 0 264.325 3.272 10 5 CGBERN Cc1sc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000103367418 526872478 /nfs/dbraw/zinc/87/24/78/526872478.db2.gz OOWSUEWTMBYVKO-IUCAKERBSA-N 0 0 282.365 3.368 10 5 CGBERN Cn1cccc1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000050595330 527400871 /nfs/dbraw/zinc/40/08/71/527400871.db2.gz YGSTVJASYYPWCW-UHFFFAOYSA-N 0 0 265.700 3.199 10 5 CGBERN CC(C)(C)[C@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000324386579 623885032 /nfs/dbraw/zinc/88/50/32/623885032.db2.gz XUJYGAFLJTXRPC-LLVKDONJSA-N 0 0 272.732 3.067 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000888288256 624153963 /nfs/dbraw/zinc/15/39/63/624153963.db2.gz GUCWWPJEZPICJA-IONNQARKSA-N 0 0 283.715 3.087 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000084808126 625775842 /nfs/dbraw/zinc/77/58/42/625775842.db2.gz DACSNKPNMHRBCL-SNVBAGLBSA-N 0 0 275.260 3.414 10 5 CGBERN Cc1c2c(cnn2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000095642885 185017583 /nfs/dbraw/zinc/01/75/83/185017583.db2.gz MZXRBPDDANRHNY-UHFFFAOYSA-N 0 0 277.280 3.036 10 5 CGBERN Cc1cccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000005218580 344861204 /nfs/dbraw/zinc/86/12/04/344861204.db2.gz ASHXZHFNOHONOT-UHFFFAOYSA-N 0 0 270.288 3.464 10 5 CGBERN O=[N+]([O-])c1ccc(NOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000007980727 344871053 /nfs/dbraw/zinc/87/10/53/344871053.db2.gz HZZNUXMVAZBNLT-UHFFFAOYSA-N 0 0 289.247 3.047 10 5 CGBERN CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000043433153 344998505 /nfs/dbraw/zinc/99/85/05/344998505.db2.gz ZYEXQTORNXYZDB-KGLIPLIRSA-N 0 0 294.351 3.135 10 5 CGBERN CCCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730418 345727070 /nfs/dbraw/zinc/72/70/70/345727070.db2.gz OFUNJNUEYJCAEX-UHFFFAOYSA-N 0 0 259.103 3.179 10 5 CGBERN Nc1nc2cc(C(F)(F)F)ccc2c2cccnc12 ZINC000115015669 345967974 /nfs/dbraw/zinc/96/79/74/345967974.db2.gz VYTOVRFGGYFWFW-UHFFFAOYSA-N 0 0 263.222 3.384 10 5 CGBERN CSc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000306599408 346455914 /nfs/dbraw/zinc/45/59/14/346455914.db2.gz YOGZQORXKXMFCV-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1cc(F)c(F)cc1SC(F)(F)F ZINC000396110280 346579345 /nfs/dbraw/zinc/57/93/45/346579345.db2.gz BXDYZSUOMVCUDF-UHFFFAOYSA-N 0 0 259.155 3.485 10 5 CGBERN CNc1ccc2c(c1)[nH]c1c(C)c(C)ccc1c2=O ZINC000584640754 346702907 /nfs/dbraw/zinc/70/29/07/346702907.db2.gz RHYPDQQBZWPWNE-UHFFFAOYSA-N 0 0 252.317 3.340 10 5 CGBERN CCCCC[C@H]([N+](=O)[O-])C(C)(C)CC(=O)OCC ZINC000584650071 346704569 /nfs/dbraw/zinc/70/45/69/346704569.db2.gz RQRYJRKURDBAIY-NSHDSACASA-N 0 0 259.346 3.191 10 5 CGBERN CCC1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596088447 347381633 /nfs/dbraw/zinc/38/16/33/347381633.db2.gz OEIYSIRNNQVQHJ-UHFFFAOYSA-N 0 0 265.313 3.076 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1NCCOC1CCCC1 ZINC000104445197 186005267 /nfs/dbraw/zinc/00/52/67/186005267.db2.gz GGBCOWZTCOIPBZ-UHFFFAOYSA-N 0 0 264.325 3.274 10 5 CGBERN Cc1cc(N[C@H](C)Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000301442865 201009372 /nfs/dbraw/zinc/00/93/72/201009372.db2.gz POLLSCGUGJPNBU-LLVKDONJSA-N 0 0 289.310 3.480 10 5 CGBERN Cc1cc(N[C@H]2C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000301992990 201291343 /nfs/dbraw/zinc/29/13/43/201291343.db2.gz GNNKMKGAECDFRO-KWQFWETISA-N 0 0 257.293 3.272 10 5 CGBERN C[C@@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302028224 201306858 /nfs/dbraw/zinc/30/68/58/201306858.db2.gz IWTRFUCBKHKGKI-NTZNESFSSA-N 0 0 278.352 3.324 10 5 CGBERN CCC[C@]1(COC)CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000302835851 284085834 /nfs/dbraw/zinc/08/58/34/284085834.db2.gz VZNMGAJDVSXLQJ-OAHLLOKOSA-N 0 0 293.367 3.084 10 5 CGBERN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000044068869 369258271 /nfs/dbraw/zinc/25/82/71/369258271.db2.gz TULCIAFZYJZBAM-OAHLLOKOSA-N 0 0 269.256 3.301 10 5 CGBERN Cc1nc(Cl)cc(Oc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000052835374 369472299 /nfs/dbraw/zinc/47/22/99/369472299.db2.gz NGRSQOVZOWXIGS-UHFFFAOYSA-N 0 0 283.646 3.278 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074768549 369887546 /nfs/dbraw/zinc/88/75/46/369887546.db2.gz APMSUMJNWHWGRQ-QWRGUYRKSA-N 0 0 281.381 3.384 10 5 CGBERN CCc1ccsc1CNc1ncccc1[N+](=O)[O-] ZINC000088290727 370032297 /nfs/dbraw/zinc/03/22/97/370032297.db2.gz OKULUOJCZUVBFL-UHFFFAOYSA-N 0 0 263.322 3.226 10 5 CGBERN C=Cc1nn(C(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c12 ZINC000089195574 370037748 /nfs/dbraw/zinc/03/77/48/370037748.db2.gz PMMXQZUULQNFBH-UHFFFAOYSA-N 0 0 289.291 3.371 10 5 CGBERN C[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])c1nccs1 ZINC000080320093 369986958 /nfs/dbraw/zinc/98/69/58/369986958.db2.gz AGTNBUXQVQJBHO-SSDOTTSWSA-N 0 0 267.285 3.364 10 5 CGBERN Cc1ccncc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104455256 370346084 /nfs/dbraw/zinc/34/60/84/370346084.db2.gz QNULCPIGQPBCPF-UHFFFAOYSA-N 0 0 296.286 3.032 10 5 CGBERN O=[N+]([O-])c1cc(Cl)nc(NCc2ccccc2)c1 ZINC000196208123 376120030 /nfs/dbraw/zinc/12/00/30/376120030.db2.gz WGRZOVCJXJUWTA-UHFFFAOYSA-N 0 0 263.684 3.255 10 5 CGBERN COc1cc(OC(F)F)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575652905 377930483 /nfs/dbraw/zinc/93/04/83/377930483.db2.gz XSFGLATUBVDMOI-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN O=Cc1cc(OC(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575664868 377941075 /nfs/dbraw/zinc/94/10/75/377941075.db2.gz AJINMTXRQONFLN-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CC(=O)c1c(OC(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575665222 377942235 /nfs/dbraw/zinc/94/22/35/377942235.db2.gz CCTVGYQXLZNATE-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1cc(C(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575668264 377945538 /nfs/dbraw/zinc/94/55/38/377945538.db2.gz TVRINLJRCXJJIR-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN Cc1cc(C(F)F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575668330 377945909 /nfs/dbraw/zinc/94/59/09/377945909.db2.gz VDBZLDKBNFTGAV-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(C(F)F)c1OC(F)(F)F ZINC000575671885 377948392 /nfs/dbraw/zinc/94/83/92/377948392.db2.gz OGEQXPNXQUDALI-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN CCOC(=O)c1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575673191 377948562 /nfs/dbraw/zinc/94/85/62/377948562.db2.gz FQZAZWICDDGJBD-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(OC(F)F)cc1Cl ZINC000575674234 377949398 /nfs/dbraw/zinc/94/93/98/377949398.db2.gz FCGKQGDJXHJGBL-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN O=[N+]([O-])c1cc(Cl)c(OC(F)F)cc1OC(F)F ZINC000575675217 377950610 /nfs/dbraw/zinc/95/06/10/377950610.db2.gz FGRBDLPWEDGDCI-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN CCOC(=O)Cc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000575396756 377903454 /nfs/dbraw/zinc/90/34/54/377903454.db2.gz FMRMFMMOQIYSCL-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN CCOC(=O)c1cc(OC(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000575701166 377974969 /nfs/dbraw/zinc/97/49/69/377974969.db2.gz UEUQNKOFJQGBDP-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1ccc(C)o1 ZINC000288118555 197007751 /nfs/dbraw/zinc/00/77/51/197007751.db2.gz LJHVJPVVXGQFPV-VIFPVBQESA-N 0 0 278.312 3.194 10 5 CGBERN C[C@@H]1C[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000280934440 195035529 /nfs/dbraw/zinc/03/55/29/195035529.db2.gz AWIPNBMVANIWNZ-ILWJIGKKSA-N 0 0 299.758 3.259 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)O[C@H](C)C1 ZINC000302759968 392620027 /nfs/dbraw/zinc/62/00/27/392620027.db2.gz JSRHUBYCMMZVEY-NXEZZACHSA-N 0 0 284.743 3.170 10 5 CGBERN CCn1ccnc1CSc1ccc([N+](=O)[O-])cc1F ZINC000188057305 392797584 /nfs/dbraw/zinc/79/75/84/392797584.db2.gz DQPDBJMSFRYYLB-UHFFFAOYSA-N 0 0 281.312 3.243 10 5 CGBERN Cc1ccc(N2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000301472044 397674330 /nfs/dbraw/zinc/67/43/30/397674330.db2.gz KMOAQJOEGCYQRW-GHMZBOCLSA-N 0 0 266.366 3.233 10 5 CGBERN O=C(Nc1ccccc1[N+](=O)[O-])NC1CCCCC1 ZINC000005514975 170106934 /nfs/dbraw/zinc/10/69/34/170106934.db2.gz KDASATUEIXBZRZ-UHFFFAOYSA-N 0 0 263.297 3.049 10 5 CGBERN CC[C@H]1CCCCN1C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000005984884 170165240 /nfs/dbraw/zinc/16/52/40/170165240.db2.gz LMKGVWKDGGPGBX-LBPRGKRZSA-N 0 0 276.336 3.308 10 5 CGBERN O[C@@H]1c2ccc3cc4ccccc4cc3c2C=C[C@@H]1O ZINC000006118875 170176927 /nfs/dbraw/zinc/17/69/27/170176927.db2.gz KUBYVPFVNKJERF-ZWKOTPCHSA-N 0 0 262.308 3.414 10 5 CGBERN C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006586270 170216455 /nfs/dbraw/zinc/21/64/55/170216455.db2.gz VQOVJWMLCGXMHE-KCHUQEOMSA-N 0 0 288.347 3.303 10 5 CGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000007741570 170300260 /nfs/dbraw/zinc/30/02/60/170300260.db2.gz HCBRXSDWNDRXKX-QMMMGPOBSA-N 0 0 294.694 3.332 10 5 CGBERN CC(=O)c1ccc(-n2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000019871224 170902137 /nfs/dbraw/zinc/90/21/37/170902137.db2.gz YANLUUFYOPNWEQ-UHFFFAOYSA-N 0 0 281.271 3.136 10 5 CGBERN CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1C=O ZINC000020298746 171138279 /nfs/dbraw/zinc/13/82/79/171138279.db2.gz XHTIYNSKNUKAMG-UHFFFAOYSA-N 0 0 288.278 3.183 10 5 CGBERN C[C@H](Nc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000035019068 171936818 /nfs/dbraw/zinc/93/68/18/171936818.db2.gz LCAABYXKFLHXAX-NSHDSACASA-N 0 0 272.304 3.260 10 5 CGBERN C[C@@H](NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1cccs1 ZINC000035134688 172001368 /nfs/dbraw/zinc/00/13/68/172001368.db2.gz CGHUWZNTJZMOCE-MRVPVSSYSA-N 0 0 294.307 3.286 10 5 CGBERN Cc1ccc(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000035141176 172009014 /nfs/dbraw/zinc/00/90/14/172009014.db2.gz JSUXXCNGRJDSIY-UHFFFAOYSA-N 0 0 288.263 3.250 10 5 CGBERN Nc1cccnc1SCc1cc(F)ccc1[N+](=O)[O-] ZINC000035308304 172121712 /nfs/dbraw/zinc/12/17/12/172121712.db2.gz VCPGBYFDNNFQPM-UHFFFAOYSA-N 0 0 279.296 3.003 10 5 CGBERN C[C@@H](O)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000035631511 172313917 /nfs/dbraw/zinc/31/39/17/172313917.db2.gz NOMZIELSWJKJEX-GFCCVEGCSA-N 0 0 278.352 3.419 10 5 CGBERN O=[N+]([O-])c1cc(NCc2cccs2)ccc1F ZINC000037060660 172924925 /nfs/dbraw/zinc/92/49/25/172924925.db2.gz JKKQBABRQLBZHY-UHFFFAOYSA-N 0 0 252.270 3.408 10 5 CGBERN Cc1ccccc1[C@H](C)NCc1ccc([N+](=O)[O-])o1 ZINC000037220762 173039062 /nfs/dbraw/zinc/03/90/62/173039062.db2.gz UEVHYDRBEFESAY-NSHDSACASA-N 0 0 260.293 3.347 10 5 CGBERN O=[N+]([O-])c1ccc2ccn(-c3cccc(CO)c3)c2c1 ZINC000071792061 176263281 /nfs/dbraw/zinc/26/32/81/176263281.db2.gz AIFZFNQGUAQWTB-UHFFFAOYSA-N 0 0 268.272 3.031 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCC[C@H]1CCCCO1 ZINC000228723459 416522618 /nfs/dbraw/zinc/52/26/18/416522618.db2.gz GHMVVRJUOCFBEY-LLVKDONJSA-N 0 0 268.288 3.105 10 5 CGBERN Cc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377342 270045563 /nfs/dbraw/zinc/04/55/63/270045563.db2.gz ZIXVVUASIAZQER-GFCCVEGCSA-N 0 0 296.326 3.495 10 5 CGBERN O=[N+]([O-])c1ccc(NC2C3CC4CC(C3)CC2C4)cn1 ZINC000328171271 270095342 /nfs/dbraw/zinc/09/53/42/270095342.db2.gz AYMQEKGINKAEIS-UHFFFAOYSA-N 0 0 273.336 3.226 10 5 CGBERN COc1ccccc1-c1oc2ccccc2c(=O)c1[N+](=O)[O-] ZINC000039119537 295344874 /nfs/dbraw/zinc/34/48/74/295344874.db2.gz UBHSVZAIXCJAQZ-UHFFFAOYSA-N 0 0 297.266 3.377 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1 ZINC000163322772 301849056 /nfs/dbraw/zinc/84/90/56/301849056.db2.gz NITRZZJUGNJODP-OLZOCXBDSA-N 0 0 290.363 3.411 10 5 CGBERN CCS(=O)(CC)=Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000536957296 330383365 /nfs/dbraw/zinc/38/33/65/330383365.db2.gz ICFXMIIQNBZBGA-UHFFFAOYSA-N 0 0 276.745 3.388 10 5 CGBERN CN(c1ccc([N+](=O)[O-])cc1N)c1ccccc1F ZINC000052841437 523642711 /nfs/dbraw/zinc/64/27/11/523642711.db2.gz LOWLAXNGPPRHSG-UHFFFAOYSA-N 0 0 261.256 3.084 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1SC1CCCCC1 ZINC000050456075 527320608 /nfs/dbraw/zinc/32/06/08/527320608.db2.gz BIOXBKBUZUCZAJ-UHFFFAOYSA-N 0 0 273.745 3.463 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccc(CCO)cc2)c(F)c1 ZINC000157308206 527373733 /nfs/dbraw/zinc/37/37/33/527373733.db2.gz WDQRKHBYVGMOJF-UHFFFAOYSA-N 0 0 277.251 3.061 10 5 CGBERN CC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000111691199 618714676 /nfs/dbraw/zinc/71/46/76/618714676.db2.gz BLDFTMXZMJFZIZ-SNVBAGLBSA-N 0 0 298.289 3.338 10 5 CGBERN CC(=O)[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124725171 634494276 /nfs/dbraw/zinc/49/42/76/634494276.db2.gz WCZGVVAVTGJSPV-SNVBAGLBSA-N 0 0 282.727 3.054 10 5 CGBERN O=[N+]([O-])c1cccnc1NCCCCC(F)(F)F ZINC000128945135 232190625 /nfs/dbraw/zinc/19/06/25/232190625.db2.gz SZTQYSDKPJSXNH-UHFFFAOYSA-N 0 0 263.219 3.134 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)ccc1Br ZINC000238694374 346350066 /nfs/dbraw/zinc/35/00/66/346350066.db2.gz ZSKLYQJCOWESJR-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN O=[N+]([O-])c1ccnc(C(F)(F)F)c1C(F)(F)F ZINC000514282046 346638122 /nfs/dbraw/zinc/63/81/22/346638122.db2.gz PJPLICQQXXHJSZ-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN CCc1ccc2c(c1)[nH]c(=O)c1ccccc1c2=O ZINC000584638136 346701645 /nfs/dbraw/zinc/70/16/45/346701645.db2.gz SKTGCSROUSJUIL-UHFFFAOYSA-N 0 0 251.285 3.016 10 5 CGBERN CC(=O)Nc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000584904524 346723633 /nfs/dbraw/zinc/72/36/33/346723633.db2.gz LOFVVDWQHKWOST-QWRGUYRKSA-N 0 0 291.351 3.036 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000091252298 180114139 /nfs/dbraw/zinc/11/41/39/180114139.db2.gz DKCNPCFJMKMXAB-ZETCQYMHSA-N 0 0 289.131 3.467 10 5 CGBERN Cc1cc(NCCC2=CCOCC2)ccc1[N+](=O)[O-] ZINC000301813623 201212630 /nfs/dbraw/zinc/21/26/30/201212630.db2.gz HYXHTGQXWIKIFY-UHFFFAOYSA-N 0 0 262.309 3.052 10 5 CGBERN COc1ccccc1CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000228722246 189795039 /nfs/dbraw/zinc/79/50/39/189795039.db2.gz GSYYOHDVKZGNBJ-UHFFFAOYSA-N 0 0 290.294 3.397 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H]2COc3ccccc32)cc1 ZINC000070199014 369788784 /nfs/dbraw/zinc/78/87/84/369788784.db2.gz NLFBUSKCWBQQMO-ZDUSSCGKSA-N 0 0 256.261 3.140 10 5 CGBERN O=[N+]([O-])CC[C@H](Br)c1ccc(F)c(F)c1 ZINC000219941525 376206068 /nfs/dbraw/zinc/20/60/68/376206068.db2.gz WWIKFFLUQWTBRW-ZETCQYMHSA-N 0 0 280.068 3.068 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccc3n[nH]cc3c2)c(F)c1 ZINC000137129495 371492720 /nfs/dbraw/zinc/49/27/20/371492720.db2.gz ZJYSHYYCPJXRHH-UHFFFAOYSA-N 0 0 273.223 3.403 10 5 CGBERN O=[N+]([O-])c1ccc(NCC2(c3ccccc3F)CC2)nc1 ZINC000301295994 373735386 /nfs/dbraw/zinc/73/53/86/373735386.db2.gz XPYVUNLSIKGSIB-UHFFFAOYSA-N 0 0 287.294 3.273 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000227760057 376408920 /nfs/dbraw/zinc/40/89/20/376408920.db2.gz FSBMBSLSKGTYLB-MWLCHTKSSA-N 0 0 268.288 3.103 10 5 CGBERN CC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000227012774 376376819 /nfs/dbraw/zinc/37/68/19/376376819.db2.gz CBECZVJJXZZLTJ-TVQRCGJNSA-N 0 0 257.293 3.353 10 5 CGBERN COc1cc(N[C@@H](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000230355009 376505326 /nfs/dbraw/zinc/50/53/26/376505326.db2.gz VUIYAWBFNTXEMY-QMMMGPOBSA-N 0 0 256.277 3.199 10 5 CGBERN C[C@@H]1CC(CNc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000343045880 377887273 /nfs/dbraw/zinc/88/72/73/377887273.db2.gz PAFIVACCPNPDBD-NXEZZACHSA-N 0 0 282.315 3.349 10 5 CGBERN O=[N+]([O-])c1cc(F)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575661047 377937276 /nfs/dbraw/zinc/93/72/76/377937276.db2.gz GXNPKKQTPXFAOO-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=[N+]([O-])c1cc(F)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575662014 377938238 /nfs/dbraw/zinc/93/82/38/377938238.db2.gz ZMCKQOJXPFCUSC-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=Cc1c(C(F)(F)F)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575665088 377941888 /nfs/dbraw/zinc/94/18/88/377941888.db2.gz BFVUWYLFVLGUOE-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN COc1ccc(OC(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575666318 377942903 /nfs/dbraw/zinc/94/29/03/377942903.db2.gz KBYGDPHPDQINFJ-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=[N+]([O-])c1c(Cl)cc(OC(F)F)cc1OC(F)F ZINC000575675866 377950543 /nfs/dbraw/zinc/95/05/43/377950543.db2.gz GQBFWMJVJKFDMT-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN CC(=O)c1c(Br)ccc(Cl)c1[N+](=O)[O-] ZINC000575678412 377952374 /nfs/dbraw/zinc/95/23/74/377952374.db2.gz UUYVWIUQLSJDLJ-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN COc1ccc(Br)c([N+](=O)[O-])c1C(F)F ZINC000575684819 377959287 /nfs/dbraw/zinc/95/92/87/377959287.db2.gz HTZFXZHIWDOKPH-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CC(=O)c1c(Br)cc([N+](=O)[O-])cc1C(F)F ZINC000575688151 377962950 /nfs/dbraw/zinc/96/29/50/377962950.db2.gz YDTRAQWHZLLFSS-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1OC ZINC000575700062 377972164 /nfs/dbraw/zinc/97/21/64/377972164.db2.gz ZYFFPKXYLHIUSJ-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1COc2ccccc21 ZINC000129788198 285093233 /nfs/dbraw/zinc/09/32/33/285093233.db2.gz DLZBLWVTENVREX-SNVBAGLBSA-N 0 0 291.694 3.189 10 5 CGBERN Cc1cc(N2CC[C@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC000281157480 291941711 /nfs/dbraw/zinc/94/17/11/291941711.db2.gz BEPHFCOLFHHNMW-VXGBXAGGSA-N 0 0 261.325 3.067 10 5 CGBERN CCC1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000193078145 262215745 /nfs/dbraw/zinc/21/57/45/262215745.db2.gz ZOMKUFSJXQTCDT-UHFFFAOYSA-N 0 0 282.365 3.355 10 5 CGBERN C[C@@H]1C[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000281761010 195369040 /nfs/dbraw/zinc/36/90/40/195369040.db2.gz FNTUPLKLBKBNRC-JGPRNRPPSA-N 0 0 282.315 3.349 10 5 CGBERN CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000251095420 131128427 /nfs/dbraw/zinc/12/84/27/131128427.db2.gz CDSOYXZITSPIFW-GLQYFDAESA-N 0 0 278.352 3.203 10 5 CGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccco2)c1 ZINC000192794150 392860666 /nfs/dbraw/zinc/86/06/66/392860666.db2.gz NGDHJVVILGVODE-GFCCVEGCSA-N 0 0 273.292 3.112 10 5 CGBERN Nc1c(F)ccc(-c2ccc(F)cc2[N+](=O)[O-])c1F ZINC000675059487 543312162 /nfs/dbraw/zinc/31/21/62/543312162.db2.gz QDYDUXAERLBPPZ-UHFFFAOYSA-N 0 0 268.194 3.261 10 5 CGBERN Cc1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000160674902 292139580 /nfs/dbraw/zinc/13/95/80/292139580.db2.gz DWUAQMWCTATVDE-CZUORRHYSA-N 0 0 290.363 3.035 10 5 CGBERN Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)cc1F ZINC000094957894 165398890 /nfs/dbraw/zinc/39/88/90/165398890.db2.gz PCZUMDIGWZVTJP-SECBINFHSA-N 0 0 276.271 3.005 10 5 CGBERN O[C@H]1C=Cc2c3cc4ccccc4cc3ccc2[C@@H]1O ZINC000001996341 169765722 /nfs/dbraw/zinc/76/57/22/169765722.db2.gz KUBYVPFVNKJERF-ROUUACIJSA-N 0 0 262.308 3.414 10 5 CGBERN CCc1ccc(OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035182911 172036838 /nfs/dbraw/zinc/03/68/38/172036838.db2.gz CSYPYPKTIQMXBT-UHFFFAOYSA-N 0 0 285.299 3.419 10 5 CGBERN O=C(c1ccsc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000035369535 172161582 /nfs/dbraw/zinc/16/15/82/172161582.db2.gz JQWZLTQBDRLUAB-UHFFFAOYSA-N 0 0 272.285 3.369 10 5 CGBERN C[C@@H](O)c1ccccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080456 174090154 /nfs/dbraw/zinc/09/01/54/174090154.db2.gz XHJPTKZGLXFYLZ-SNVBAGLBSA-N 0 0 259.261 3.440 10 5 CGBERN C[C@H](Nc1ncnc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000040571281 174338282 /nfs/dbraw/zinc/33/82/82/174338282.db2.gz QKRNWHYVHNRYBF-QMMMGPOBSA-N 0 0 278.699 3.211 10 5 CGBERN Cc1ccc(Sc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571342 174338442 /nfs/dbraw/zinc/33/84/42/174338442.db2.gz BZLULIBISSGWOT-UHFFFAOYSA-N 0 0 281.724 3.498 10 5 CGBERN CCCNc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000040597189 174349377 /nfs/dbraw/zinc/34/93/77/174349377.db2.gz KUNMVOINMKAJNK-UHFFFAOYSA-N 0 0 293.371 3.341 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCSC(F)(F)F ZINC000228722339 416522819 /nfs/dbraw/zinc/52/28/19/416522819.db2.gz IFGUTGUXRXUABU-UHFFFAOYSA-N 0 0 284.234 3.399 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1cccc(OC)c1[N+](=O)[O-] ZINC000228854410 270088253 /nfs/dbraw/zinc/08/82/53/270088253.db2.gz SABAKOSJCDRTPE-KOLCDFICSA-N 0 0 250.298 3.204 10 5 CGBERN COc1c(O)cc2c3c(cc4ccccc4c31)NC2=O ZINC000001612828 277365009 /nfs/dbraw/zinc/36/50/09/277365009.db2.gz ZEKAIRFOYPDZNC-UHFFFAOYSA-N 0 0 265.268 3.273 10 5 biogenic,in-vitro CGBERN C[C@H]1SCCN(c2cccc(F)c2[N+](=O)[O-])[C@H]1C ZINC000134772224 278532150 /nfs/dbraw/zinc/53/21/50/278532150.db2.gz DALUSQPRUAWLOC-DTWKUNHWSA-N 0 0 270.329 3.064 10 5 CGBERN CCC(C)(C)OCc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050832374 521359722 /nfs/dbraw/zinc/35/97/22/521359722.db2.gz FFFTUBQCHUKBFA-UHFFFAOYSA-N 0 0 252.314 3.342 10 5 CGBERN Cc1cc(Cl)nc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000050441256 524916766 /nfs/dbraw/zinc/91/67/66/524916766.db2.gz KWTPHZWQTJFZBR-UHFFFAOYSA-N 0 0 263.684 3.322 10 5 CGBERN C[C@]1(CNc2cc(F)ccc2[N+](=O)[O-])CCCS1 ZINC000155766842 525270376 /nfs/dbraw/zinc/27/03/76/525270376.db2.gz DAEGFEFXVWOIRN-GFCCVEGCSA-N 0 0 270.329 3.432 10 5 CGBERN C[C@H](Nc1ncnc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000061370954 525684908 /nfs/dbraw/zinc/68/49/08/525684908.db2.gz ZNYQXJBEPCVCSJ-LURJTMIESA-N 0 0 284.728 3.273 10 5 CGBERN Cc1c(NCCOCCC(C)C)cccc1[N+](=O)[O-] ZINC000062724127 525869852 /nfs/dbraw/zinc/86/98/52/525869852.db2.gz RYWXBKIJMNVKTE-UHFFFAOYSA-N 0 0 266.341 3.378 10 5 CGBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC000052841709 525940717 /nfs/dbraw/zinc/94/07/17/525940717.db2.gz MYVDWVLELLTNRJ-JTQLQIEISA-N 0 0 258.277 3.317 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1NCc1cccc(Cl)c1 ZINC000053160537 527320040 /nfs/dbraw/zinc/32/00/40/527320040.db2.gz GEHCAGMTHZIBFX-UHFFFAOYSA-N 0 0 299.117 3.304 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCc1ccccc1 ZINC000052119246 527357525 /nfs/dbraw/zinc/35/75/25/527357525.db2.gz CTYGPWZIFOHIPM-UHFFFAOYSA-N 0 0 260.268 3.389 10 5 CGBERN COC(=O)c1cc(N2C[C@@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301955981 536514658 /nfs/dbraw/zinc/51/46/58/536514658.db2.gz MAQHKKVUAGKHFU-WDEREUQCSA-N 0 0 292.335 3.006 10 5 CGBERN CCn1ccnc1COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000311586067 618912701 /nfs/dbraw/zinc/91/27/01/618912701.db2.gz PRFKJSMRUZMYJH-UHFFFAOYSA-N 0 0 281.699 3.044 10 5 CGBERN Cc1noc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C ZINC000130177772 636429629 /nfs/dbraw/zinc/42/96/29/636429629.db2.gz IQSYOHCLVHUHDL-UHFFFAOYSA-N 0 0 295.682 3.105 10 5 CGBERN C/C=C/COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445193 799695091 /nfs/dbraw/zinc/69/50/91/799695091.db2.gz RWBINYWMQCJXMA-ZYHQMMTJSA-N 0 0 261.277 3.117 10 5 CGBERN Cc1cccnc1/C=C\C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000588452705 799697121 /nfs/dbraw/zinc/69/71/21/799697121.db2.gz FWPLWDOKXZVMFG-FPLPWBNLSA-N 0 0 298.298 3.055 10 5 CGBERN CNc1cccc(OCc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000127000853 187275506 /nfs/dbraw/zinc/27/55/06/187275506.db2.gz WTCNQIZYXKOOGI-UHFFFAOYSA-N 0 0 288.303 3.224 10 5 CGBERN CCOc1cc(OCC)c(OC)cc1/C=C(\C)[N+](=O)[O-] ZINC000037627960 344951923 /nfs/dbraw/zinc/95/19/23/344951923.db2.gz LQKNREPGONZARY-JXMROGBWSA-N 0 0 281.308 3.130 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000035333607 344942188 /nfs/dbraw/zinc/94/21/88/344942188.db2.gz IBJOFNUASRLHMG-UHFFFAOYSA-N 0 0 264.064 3.078 10 5 CGBERN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000037379078 344949891 /nfs/dbraw/zinc/94/98/91/344949891.db2.gz FFTAJQXHUVKMBA-IINYFYTJSA-N 0 0 287.319 3.122 10 5 CGBERN CCOc1cc(Br)cc(OCC)c1[N+](=O)[O-] ZINC000037594152 344951154 /nfs/dbraw/zinc/95/11/54/344951154.db2.gz GZOUREQGUFUONW-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN O=[N+]([O-])c1cnc2cc(F)c(F)c(F)c2c1Cl ZINC000098061905 345910472 /nfs/dbraw/zinc/91/04/72/345910472.db2.gz PNVQRSDLBVIEDM-UHFFFAOYSA-N 0 0 262.574 3.214 10 5 CGBERN CN1C=CC2=C(C1)c1cc([N+](=O)[O-])ccc1C2(C)C ZINC000113852006 345961899 /nfs/dbraw/zinc/96/18/99/345961899.db2.gz GYVBODRPSHRJJB-UHFFFAOYSA-N 0 0 256.305 3.099 10 5 CGBERN CCCCOc1ccc(CC(C)(C)[N+](=O)[O-])cc1 ZINC000146432815 346123766 /nfs/dbraw/zinc/12/37/66/346123766.db2.gz SPRIADRPVJWWIW-UHFFFAOYSA-N 0 0 251.326 3.463 10 5 CGBERN Cc1cc2c(o1)c(NC(=O)C(F)(F)F)ccc2[N+](=O)[O-] ZINC000196441893 346276082 /nfs/dbraw/zinc/27/60/82/346276082.db2.gz APLICAXLSBMGBF-UHFFFAOYSA-N 0 0 288.181 3.150 10 5 CGBERN O=[N+]([O-])c1cc(I)cc(C(F)F)c1 ZINC000238684691 346350517 /nfs/dbraw/zinc/35/05/17/346350517.db2.gz PTWLGWJPJMURTA-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN Cc1c(Cl)cc(I)cc1[N+](=O)[O-] ZINC000307546552 346463694 /nfs/dbraw/zinc/46/36/94/346463694.db2.gz MLODDQGSENCNJU-UHFFFAOYSA-N 0 0 297.479 3.161 10 5 CGBERN C[C@H]1OCC[C@H]1Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000311789383 346474876 /nfs/dbraw/zinc/47/48/76/346474876.db2.gz FGUOKKIVRVFRHJ-VXNVDRBHSA-N 0 0 272.251 3.122 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(F)c1SC(F)(F)F ZINC000396122238 346580081 /nfs/dbraw/zinc/58/00/81/346580081.db2.gz WQEQSXGANZPJHJ-UHFFFAOYSA-N 0 0 259.155 3.485 10 5 CGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1C(F)(F)F ZINC000514282355 346638116 /nfs/dbraw/zinc/63/81/16/346638116.db2.gz XRIUJXLMNILJDQ-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN COc1ccc2c(c1)c(Cl)c1ccccc1[n+]2[O-] ZINC000584591492 346685417 /nfs/dbraw/zinc/68/54/17/346685417.db2.gz KVHBJQDWMWRJQR-UHFFFAOYSA-N 0 0 259.692 3.288 10 5 CGBERN CCOc1cc(NCCC2=CCOCC2)ccc1[N+](=O)[O-] ZINC000301796565 201202491 /nfs/dbraw/zinc/20/24/91/201202491.db2.gz AJBAVVSIWOMSLW-UHFFFAOYSA-N 0 0 292.335 3.142 10 5 CGBERN CCc1ccccc1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302029389 201308319 /nfs/dbraw/zinc/30/83/19/201308319.db2.gz JFGNKLXLPJHSAQ-UHFFFAOYSA-N 0 0 286.331 3.262 10 5 CGBERN O=C(Nc1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000000218480 368318386 /nfs/dbraw/zinc/31/83/86/368318386.db2.gz VMUAJKJPMPUFKB-UHFFFAOYSA-N 0 0 272.260 3.344 10 5 CGBERN C[C@@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])s2)C1 ZINC000013122371 368643372 /nfs/dbraw/zinc/64/33/72/368643372.db2.gz DWQKJGDBLSEEBL-RSSNJPKISA-N 0 0 294.376 3.174 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1N[C@@H]1COc2ccccc21 ZINC000058544962 369570020 /nfs/dbraw/zinc/57/00/20/369570020.db2.gz QYNLBZIMEAEHFB-GFCCVEGCSA-N 0 0 274.251 3.280 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cccc3[nH]cnc32)cc1 ZINC000089195198 370038132 /nfs/dbraw/zinc/03/81/32/370038132.db2.gz HHGFFJVAHIFVSY-UHFFFAOYSA-N 0 0 268.276 3.083 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336813676 213684130 /nfs/dbraw/zinc/68/41/30/213684130.db2.gz VEHZTAUZFYVRIP-CBAPKCEASA-N 0 0 278.337 3.200 10 5 CGBERN Cc1ccnc(NCc2csc(C(C)C)n2)c1[N+](=O)[O-] ZINC000301258146 373714077 /nfs/dbraw/zinc/71/40/77/373714077.db2.gz DVICCEAQDGYWEZ-UHFFFAOYSA-N 0 0 292.364 3.490 10 5 CGBERN COC(=O)c1cc(N2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000301112772 373665190 /nfs/dbraw/zinc/66/51/90/373665190.db2.gz SFWBERVWZCOIRB-LLVKDONJSA-N 0 0 292.335 3.008 10 5 CGBERN CCC[C@@]1(COC)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000302822148 373975640 /nfs/dbraw/zinc/97/56/40/373975640.db2.gz KMYZHMCUCLQPDQ-HNNXBMFYSA-N 0 0 278.352 3.380 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000227152239 376382892 /nfs/dbraw/zinc/38/28/92/376382892.db2.gz AOBQXLGSGQDNHF-ZIAGYGMSSA-N 0 0 296.754 3.002 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000231663707 376562445 /nfs/dbraw/zinc/56/24/45/376562445.db2.gz GHZQAEVXVPFKKV-XCBNKYQSSA-N 0 0 255.705 3.244 10 5 CGBERN CCC[C@H]1C[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000231692155 376568381 /nfs/dbraw/zinc/56/83/81/376568381.db2.gz MZRHIPHVMDIWOO-GZMMTYOYSA-N 0 0 282.727 3.167 10 5 CGBERN CCOc1cc(C(C)=O)c(C(F)F)cc1[N+](=O)[O-] ZINC000575665362 377942226 /nfs/dbraw/zinc/94/22/26/377942226.db2.gz FMLBAOQXHAGJHA-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1OC(F)F ZINC000575666108 377943363 /nfs/dbraw/zinc/94/33/63/377943363.db2.gz GRMNMWWITCTVSF-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN Cc1cc(OC(F)F)c(C(F)F)cc1[N+](=O)[O-] ZINC000575666174 377943428 /nfs/dbraw/zinc/94/34/28/377943428.db2.gz HBMXRDUEBZVTBO-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CC(=O)c1cc(OC(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575665946 377943463 /nfs/dbraw/zinc/94/34/63/377943463.db2.gz FZSRLCAVSALECD-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1c(OC(F)(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575667364 377945375 /nfs/dbraw/zinc/94/53/75/377945375.db2.gz MPPSRQMWFLGATI-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN CCOc1cc(C(C)=O)cc([N+](=O)[O-])c1C(F)F ZINC000575668485 377946215 /nfs/dbraw/zinc/94/62/15/377946215.db2.gz YLNIDPIVBVHGMP-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=[N+]([O-])c1nccc(C(F)(F)F)c1C(F)(F)F ZINC000575397548 377904939 /nfs/dbraw/zinc/90/49/39/377904939.db2.gz IJTRTFSZGHSDJA-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=Cc1cc(C(F)F)c(Br)c([N+](=O)[O-])c1 ZINC000575684245 377959069 /nfs/dbraw/zinc/95/90/69/377959069.db2.gz DDXFRQUMRIGZOM-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCOc1ccc(C(F)(F)F)c([N+](=O)[O-])c1OC ZINC000575700044 377972410 /nfs/dbraw/zinc/97/24/10/377972410.db2.gz ZSTIWHKTZQFXAP-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN C[C@@H]1CC(CNc2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000281761013 379845640 /nfs/dbraw/zinc/84/56/40/379845640.db2.gz FNTUPLKLBKBNRC-NXEZZACHSA-N 0 0 282.315 3.349 10 5 CGBERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191851992 130317913 /nfs/dbraw/zinc/31/79/13/130317913.db2.gz ZSRYYTMNQXUTMJ-WPRPVWTQSA-N 0 0 298.726 3.002 10 5 CGBERN CSc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC000307534215 392652834 /nfs/dbraw/zinc/65/28/34/392652834.db2.gz PKCBVIMPNDANEV-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN Cc1cc(Oc2ccc(CCO)cc2)ccc1[N+](=O)[O-] ZINC000092688055 165308645 /nfs/dbraw/zinc/30/86/45/165308645.db2.gz MEBAVYJIOMPPQY-UHFFFAOYSA-N 0 0 273.288 3.230 10 5 CGBERN CCCOC(=O)N=c1[nH]c2ccc([N+](=O)[O-])cc2s1 ZINC000005708059 170131721 /nfs/dbraw/zinc/13/17/21/170131721.db2.gz CKFZNJAEKCGYKP-UHFFFAOYSA-N 0 0 281.293 3.163 10 5 CGBERN O=C(Nc1cccc(F)c1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007127780 170268018 /nfs/dbraw/zinc/26/80/18/170268018.db2.gz WLVIKXACQUVODN-UHFFFAOYSA-N 0 0 278.214 3.125 10 5 CGBERN Cc1nc(N)sc1SCc1ccccc1[N+](=O)[O-] ZINC000019512231 170820999 /nfs/dbraw/zinc/82/09/99/170820999.db2.gz IRCKSJVGFQTEJT-UHFFFAOYSA-N 0 0 281.362 3.234 10 5 CGBERN O=[N+]([O-])c1cc(CO)ccc1Oc1ccc(F)cc1 ZINC000020362874 171161451 /nfs/dbraw/zinc/16/14/51/171161451.db2.gz YGVZJHKLFJQSMB-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN C[C@@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cc1C=O ZINC000020368626 171167001 /nfs/dbraw/zinc/16/70/01/171167001.db2.gz DBOICHCRQOKJHQ-LLVKDONJSA-N 0 0 282.299 3.490 10 5 CGBERN O=[N+]([O-])c1ccc(SCc2nnsc2Cl)cc1 ZINC000035164545 172026496 /nfs/dbraw/zinc/02/64/96/172026496.db2.gz QKIFPARHYUQMIH-UHFFFAOYSA-N 0 0 287.753 3.392 10 5 CGBERN O=[N+]([O-])c1ccc(Sc2ccc(Cl)nn2)cc1 ZINC000035286618 172104320 /nfs/dbraw/zinc/10/43/20/172104320.db2.gz LCKGVIBYUFJSMV-UHFFFAOYSA-N 0 0 267.697 3.189 10 5 CGBERN CC[C@H](C)CN(C)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631735 172313700 /nfs/dbraw/zinc/31/37/00/172313700.db2.gz GEJDZNIUJCFXFV-WDEREUQCSA-N 0 0 266.341 3.130 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1Oc1ccc(CO)cc1 ZINC000038081778 174090641 /nfs/dbraw/zinc/09/06/41/174090641.db2.gz KZHMBVWQSAJWCE-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1Oc1ccccc1CO ZINC000038081776 174090672 /nfs/dbraw/zinc/09/06/72/174090672.db2.gz LBUXSGNVZHVJQF-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN CC(C)CN(c1ccc(C=O)cc1[N+](=O)[O-])C1CC1 ZINC000042557767 174794132 /nfs/dbraw/zinc/79/41/32/174794132.db2.gz GHXFIAWLVLROKQ-UHFFFAOYSA-N 0 0 262.309 3.032 10 5 CGBERN CC/C(=C\c1cc([N+](=O)[O-])ccc1Cl)[N+](=O)[O-] ZINC000042906179 174907826 /nfs/dbraw/zinc/90/78/26/174907826.db2.gz SSSMPNDJKVIVLN-VMPITWQZSA-N 0 0 256.645 3.276 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCOc1ccccc1 ZINC000052120575 175532902 /nfs/dbraw/zinc/53/29/02/175532902.db2.gz VJPOIZVAIOLIHQ-UHFFFAOYSA-N 0 0 276.267 3.225 10 5 CGBERN CCn1ccnc1COc1c(Cl)cccc1[N+](=O)[O-] ZINC000130608245 287359352 /nfs/dbraw/zinc/35/93/52/287359352.db2.gz HZZYVQCEVCLNHO-UHFFFAOYSA-N 0 0 281.699 3.044 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F ZINC000051449005 260209538 /nfs/dbraw/zinc/20/95/38/260209538.db2.gz UVVOXTAEERMBSK-SECBINFHSA-N 0 0 261.256 3.302 10 5 CGBERN CC[C@@H](C)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090073688 260316969 /nfs/dbraw/zinc/31/69/69/260316969.db2.gz UCFVIWLZUBVPOR-MFKMUULPSA-N 0 0 279.340 3.144 10 5 CGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000117578732 278547767 /nfs/dbraw/zinc/54/77/67/278547767.db2.gz OENSUNRGCKUMLW-BONVTDFDSA-N 0 0 298.298 3.098 10 5 CGBERN C[N@@+]1([O-])CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000248082399 280178164 /nfs/dbraw/zinc/17/81/64/280178164.db2.gz VVDXWJOYXVNLLQ-AZUAARDMSA-N 0 0 280.371 3.097 10 5 CGBERN CC(C)(C)[C@@H](O)CCCc1ccccc1[N+](=O)[O-] ZINC000062727180 518931501 /nfs/dbraw/zinc/93/15/01/518931501.db2.gz NDWBIPBGUGEORO-ZDUSSCGKSA-N 0 0 251.326 3.325 10 5 CGBERN CC(C)(C)[C@H](O)CCCc1ccccc1[N+](=O)[O-] ZINC000062727179 518967204 /nfs/dbraw/zinc/96/72/04/518967204.db2.gz NDWBIPBGUGEORO-CYBMUJFWSA-N 0 0 251.326 3.325 10 5 CGBERN CC[C@H](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)=O ZINC000050444276 522302350 /nfs/dbraw/zinc/30/23/50/522302350.db2.gz CFRNVAAOBPEYOW-SECBINFHSA-N 0 0 255.701 3.406 10 5 CGBERN Cc1cccc(NCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000059384168 524672846 /nfs/dbraw/zinc/67/28/46/524672846.db2.gz SSUXNYBBMBITAA-UHFFFAOYSA-N 0 0 270.288 3.198 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000084808446 525754732 /nfs/dbraw/zinc/75/47/32/525754732.db2.gz GOZBENPVLHKLER-SNVBAGLBSA-N 0 0 263.293 3.308 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000057159420 525904101 /nfs/dbraw/zinc/90/41/01/525904101.db2.gz XOMMPXYRLNDPJE-JTQLQIEISA-N 0 0 289.291 3.379 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(Oc2ccnc(Cl)n2)c1 ZINC000054917778 526066832 /nfs/dbraw/zinc/06/68/32/526066832.db2.gz PCHHAEDPTSBEBV-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN O=C(OC1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000070168226 526413822 /nfs/dbraw/zinc/41/38/22/526413822.db2.gz BPQAYGJTBZGSGJ-UHFFFAOYSA-N 0 0 267.256 3.223 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2cc(Cl)ncn2)cc1Cl ZINC000050470111 527374496 /nfs/dbraw/zinc/37/44/96/527374496.db2.gz HMGMXKKWECQZQB-UHFFFAOYSA-N 0 0 286.074 3.484 10 5 CGBERN CC(=O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000104419897 635196033 /nfs/dbraw/zinc/19/60/33/635196033.db2.gz VDFWAMMVHBNNGD-UHFFFAOYSA-N 0 0 282.727 3.054 10 5 CGBERN Cc1ccc([C@H](C)OC(=O)c2cccn2C)cc1[N+](=O)[O-] ZINC000084807788 636764345 /nfs/dbraw/zinc/76/43/45/636764345.db2.gz ADXBSWUCMLZUJK-NSHDSACASA-N 0 0 288.303 3.160 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)nc1 ZINC000588440667 799695199 /nfs/dbraw/zinc/69/51/99/799695199.db2.gz FLCHQJFLJIBSLP-LUAWRHEFSA-N 0 0 297.314 3.340 10 5 CGBERN COc1ccc(Oc2ccccc2[N+](=O)[O-])cc1OC ZINC000115907754 345974071 /nfs/dbraw/zinc/97/40/71/345974071.db2.gz XBESSJGIVDHGOR-UHFFFAOYSA-N 0 0 275.260 3.404 10 5 CGBERN Cc1cc2c(c(C)c1[N+](=O)[O-])CCN2Cc1ccncc1 ZINC000117025255 345980889 /nfs/dbraw/zinc/98/08/89/345980889.db2.gz JKBYDPWELJNQOX-UHFFFAOYSA-N 0 0 283.331 3.169 10 5 CGBERN COC(=O)c1ccc(-c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000130006399 346053725 /nfs/dbraw/zinc/05/37/25/346053725.db2.gz YXCMIUSOHYNRLI-UHFFFAOYSA-N 0 0 287.271 3.057 10 5 CGBERN COc1cc(C)cc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000383786687 346563229 /nfs/dbraw/zinc/56/32/29/346563229.db2.gz YQJFEQHEGVDWFN-UHFFFAOYSA-N 0 0 252.657 3.113 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)nc1C(F)(F)F ZINC000514282287 346637952 /nfs/dbraw/zinc/63/79/52/346637952.db2.gz YZVHVMHXUTWRDL-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=c1c2ccc(C(F)(F)F)cc2oc2ncccc12 ZINC000584638340 346701410 /nfs/dbraw/zinc/70/14/10/346701410.db2.gz NUJVTNNTESXDTP-UHFFFAOYSA-N 0 0 265.190 3.360 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)C1CCCC1 ZINC000589573945 346800491 /nfs/dbraw/zinc/80/04/91/346800491.db2.gz VGMNUPYRSGBVRV-QMMMGPOBSA-N 0 0 267.304 3.307 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000122446480 187032786 /nfs/dbraw/zinc/03/27/86/187032786.db2.gz UPVIZJGEIBLYSN-QMMMGPOBSA-N 0 0 267.285 3.350 10 5 CGBERN C[C@@H](c1ccccn1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169529616 188661420 /nfs/dbraw/zinc/66/14/20/188661420.db2.gz OYDFAJCHDVMJTI-SECBINFHSA-N 0 0 273.248 3.050 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000176941308 189015665 /nfs/dbraw/zinc/01/56/65/189015665.db2.gz KVNIDRCAKOUOOR-MRVPVSSYSA-N 0 0 291.225 3.460 10 5 CGBERN COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H](OC)C1 ZINC000301753979 201178208 /nfs/dbraw/zinc/17/82/08/201178208.db2.gz CGDTZXGWWAXXHK-TZMCWYRMSA-N 0 0 294.351 3.111 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000302069767 201332348 /nfs/dbraw/zinc/33/23/48/201332348.db2.gz VKURXKWGMIFHIX-GJZGRUSLSA-N 0 0 298.342 3.303 10 5 CGBERN Cc1nc(Oc2ccc3c(c2)CCC3=O)ccc1[N+](=O)[O-] ZINC000302512196 201468477 /nfs/dbraw/zinc/46/84/77/201468477.db2.gz GEJNEYWWMNKVEP-UHFFFAOYSA-N 0 0 284.271 3.219 10 5 CGBERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015797167 368702807 /nfs/dbraw/zinc/70/28/07/368702807.db2.gz ROKAEIIOTZBNQD-FMUZQAFBSA-N 0 0 288.347 3.303 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1F ZINC000034938849 368980574 /nfs/dbraw/zinc/98/05/74/368980574.db2.gz HFGXFMOEOQMGKH-UHFFFAOYSA-N 0 0 279.198 3.478 10 5 CGBERN Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000098178933 370268110 /nfs/dbraw/zinc/26/81/10/370268110.db2.gz CLFJYGDLRGGBMP-UHFFFAOYSA-N 0 0 286.243 3.042 10 5 CGBERN Cc1nc(N[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000161507729 372330828 /nfs/dbraw/zinc/33/08/28/372330828.db2.gz IOCZPVASCWUQJB-GFCCVEGCSA-N 0 0 285.303 3.234 10 5 CGBERN Cc1ccc(CCNc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000302825546 373977268 /nfs/dbraw/zinc/97/72/68/373977268.db2.gz ZAYBGWXBIPYCIX-UHFFFAOYSA-N 0 0 275.283 3.092 10 5 CGBERN O=[N+]([O-])c1c(Br)cc(F)cc1C(F)F ZINC000307183715 374144566 /nfs/dbraw/zinc/14/45/66/374144566.db2.gz YWDHWBDQIJNKBA-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN CSc1cc(F)c([N+](=O)[O-])c(Br)c1 ZINC000307270348 374145788 /nfs/dbraw/zinc/14/57/88/374145788.db2.gz PORSNJGDQLGHQU-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN CN(Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000200515665 376125313 /nfs/dbraw/zinc/12/53/13/376125313.db2.gz PJFRIYOARZFEAQ-UHFFFAOYSA-N 0 0 260.268 3.370 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000231663772 376561935 /nfs/dbraw/zinc/56/19/35/376561935.db2.gz KXCBSJNCFKNNLM-KOLCDFICSA-N 0 0 250.298 3.204 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(CC)cc1OC(F)F ZINC000575654926 377932462 /nfs/dbraw/zinc/93/24/62/377932462.db2.gz GSCSMDFZUPBRNJ-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(F)c(OC(F)(F)F)cc1OC(F)F ZINC000575661163 377936996 /nfs/dbraw/zinc/93/69/96/377936996.db2.gz KOMZZBQLOLDVJU-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN CC(=O)c1c(OC(F)F)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575668977 377946424 /nfs/dbraw/zinc/94/64/24/377946424.db2.gz WIOKTHSBSHNYDB-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1cc(C(F)F)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575671447 377947491 /nfs/dbraw/zinc/94/74/91/377947491.db2.gz KOIXXMDYHLGNGE-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CC(=O)c1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C ZINC000575677868 377952756 /nfs/dbraw/zinc/95/27/56/377952756.db2.gz GVUXRRQHQXRWLP-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN O=[N+]([O-])c1c(Cl)ccc(OC(F)F)c1OC(F)F ZINC000575677975 377952953 /nfs/dbraw/zinc/95/29/53/377952953.db2.gz UFLKITGDXXIKRW-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN COc1c(Br)ccc([N+](=O)[O-])c1C(F)F ZINC000575686191 377960801 /nfs/dbraw/zinc/96/08/01/377960801.db2.gz OPTOGBCDWMHLQL-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN COc1ccc(C(F)F)c([N+](=O)[O-])c1Br ZINC000575686216 377960878 /nfs/dbraw/zinc/96/08/78/377960878.db2.gz OQUKVZBRXNBBCM-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCOc1cc(C(C)=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575698669 377971596 /nfs/dbraw/zinc/97/15/96/377971596.db2.gz CTISKFDHIJOWFN-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C(C)=O ZINC000575702450 377975626 /nfs/dbraw/zinc/97/56/26/377975626.db2.gz FASAFZZKZMRUHO-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN COC(=O)c1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000575713514 377982661 /nfs/dbraw/zinc/98/26/61/377982661.db2.gz WFTMQBGPMOZBLL-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=[N+]([O-])/C(=C\c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000000296961 169600546 /nfs/dbraw/zinc/60/05/46/169600546.db2.gz CBJXXKLHZQQYGV-UVTDQMKNSA-N 0 0 283.283 3.233 10 5 CGBERN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114202133 285112040 /nfs/dbraw/zinc/11/20/40/285112040.db2.gz WBKCKDQMSSTOPC-HNNXBMFYSA-N 0 0 286.335 3.045 10 5 CGBERN C[C@@H]1CC(CNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000281753189 195366695 /nfs/dbraw/zinc/36/66/95/195366695.db2.gz FDWNVXDWEZFZLU-GHMZBOCLSA-N 0 0 264.325 3.210 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])c(Br)c1 ZINC000307236895 392649012 /nfs/dbraw/zinc/64/90/12/392649012.db2.gz ODHMPELVMLRULO-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN O=[N+]([O-])c1cc(-c2cc[nH]n2)ccc1N1CCCCCC1 ZINC000253570052 296497564 /nfs/dbraw/zinc/49/75/64/296497564.db2.gz NCHUWSSFERMJSO-UHFFFAOYSA-N 0 0 286.335 3.365 10 5 CGBERN Cc1c(-c2cc(F)ccc2F)cncc1[N+](=O)[O-] ZINC000675069829 543312766 /nfs/dbraw/zinc/31/27/66/543312766.db2.gz KWVOHLNOGFQGLL-UHFFFAOYSA-N 0 0 250.204 3.243 10 5 CGBERN Cc1nc2ccccc2n1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000005532846 170110116 /nfs/dbraw/zinc/11/01/16/170110116.db2.gz CEAKBASVXJSCMO-UHFFFAOYSA-N 0 0 295.298 3.250 10 5 CGBERN Cc1cc2ncn(C(=O)c3ccccc3[N+](=O)[O-])c2cc1C ZINC000005926888 170156633 /nfs/dbraw/zinc/15/66/33/170156633.db2.gz JZZMYOZCDBUEDT-UHFFFAOYSA-N 0 0 295.298 3.250 10 5 CGBERN O=[N+]([O-])c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000006092556 170175791 /nfs/dbraw/zinc/17/57/91/170175791.db2.gz RXRRETAUSQGCQM-UHFFFAOYSA-N 0 0 274.667 3.187 10 5 CGBERN COc1cccc2oc(-c3ccc([N+](=O)[O-])cc3)nc21 ZINC000006182533 170181314 /nfs/dbraw/zinc/18/13/14/170181314.db2.gz HESIONCKCKZOBJ-UHFFFAOYSA-N 0 0 270.244 3.412 10 5 CGBERN O=C(Nc1ccccc1F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007129358 170267936 /nfs/dbraw/zinc/26/79/36/170267936.db2.gz QHCWXMUNABQGSM-UHFFFAOYSA-N 0 0 278.214 3.125 10 5 CGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000007741576 170300055 /nfs/dbraw/zinc/30/00/55/170300055.db2.gz HCBRXSDWNDRXKX-MRVPVSSYSA-N 0 0 294.694 3.332 10 5 CGBERN O=Cc1ccc(NCc2cccs2)c([N+](=O)[O-])c1 ZINC000007983321 170311851 /nfs/dbraw/zinc/31/18/51/170311851.db2.gz ZEKRBAIROBAZEY-UHFFFAOYSA-N 0 0 262.290 3.081 10 5 CGBERN Cc1ccc(OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000035182338 172036390 /nfs/dbraw/zinc/03/63/90/172036390.db2.gz WEPRKJBFXMKWLJ-UHFFFAOYSA-N 0 0 285.299 3.473 10 5 CGBERN CN(Cc1cccs1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000035718215 172372517 /nfs/dbraw/zinc/37/25/17/172372517.db2.gz IJTAORUFSZTPPZ-UHFFFAOYSA-N 0 0 283.740 3.341 10 5 CGBERN CN(Cc1ccsc1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000035719696 172374072 /nfs/dbraw/zinc/37/40/72/172374072.db2.gz QKPUDJARRSNFQT-UHFFFAOYSA-N 0 0 283.740 3.341 10 5 CGBERN C[C@@H](Nc1ccc2scnc2c1[N+](=O)[O-])C1CC1 ZINC000035733827 172385381 /nfs/dbraw/zinc/38/53/81/172385381.db2.gz DPTHREGGGJUGIJ-SSDOTTSWSA-N 0 0 263.322 3.415 10 5 CGBERN Cc1c(COc2cccc(N)c2)cccc1[N+](=O)[O-] ZINC000038055318 174067124 /nfs/dbraw/zinc/06/71/24/174067124.db2.gz VZSYVBXQDDASLS-UHFFFAOYSA-N 0 0 258.277 3.064 10 5 CGBERN Cc1csc(CNc2ccc([N+](=O)[O-])cc2C)n1 ZINC000038091746 174105722 /nfs/dbraw/zinc/10/57/22/174105722.db2.gz OQRZAVUZQSNMBG-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN C[C@@H]1CCCC[C@@H]1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000040176595 174201779 /nfs/dbraw/zinc/20/17/79/174201779.db2.gz RVNIPALPFJJKDC-MFKMUULPSA-N 0 0 263.293 3.365 10 5 CGBERN Cc1ccncc1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071413631 176159390 /nfs/dbraw/zinc/15/93/90/176159390.db2.gz MUAPNWBXNZORQR-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN CC(=O)c1ccc(N[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000078571390 177355427 /nfs/dbraw/zinc/35/54/27/177355427.db2.gz NJHNLYJIEFDCAG-VIFPVBQESA-N 0 0 250.298 3.254 10 5 CGBERN CC(C)N(c1ccc(C=O)c([N+](=O)[O-])c1)C(C)C ZINC000725272753 544115452 /nfs/dbraw/zinc/11/54/52/544115452.db2.gz UUBRSBKCSLKQFB-UHFFFAOYSA-N 0 0 250.298 3.031 10 5 CGBERN CC[C@H](C)N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000058863697 276556374 /nfs/dbraw/zinc/55/63/74/276556374.db2.gz UPOHWNKWIMPAKU-VIFPVBQESA-N 0 0 298.298 3.143 10 5 CGBERN CC(C)OCC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000396486829 288013304 /nfs/dbraw/zinc/01/33/04/288013304.db2.gz OZGXPHPHDKFSNU-UHFFFAOYSA-N 0 0 287.747 3.259 10 5 CGBERN CC[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302794771 281076274 /nfs/dbraw/zinc/07/62/74/281076274.db2.gz JECRATWKDYITLB-JTQLQIEISA-N 0 0 252.289 3.360 10 5 CGBERN O=[N+]([O-])c1ccc(-c2n[nH]cc2C(F)(F)F)cc1F ZINC000536958204 330383780 /nfs/dbraw/zinc/38/37/80/330383780.db2.gz IMWDDUQKDWVXQD-UHFFFAOYSA-N 0 0 275.161 3.143 10 5 CGBERN CC(C)[C@@H](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)O ZINC000061688592 519795917 /nfs/dbraw/zinc/79/59/17/519795917.db2.gz GSTFRVIODABVIM-BXKDBHETSA-N 0 0 271.744 3.444 10 5 CGBERN C[C@@H]1CC[C@H](O)[C@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727201 524709525 /nfs/dbraw/zinc/70/95/25/524709525.db2.gz NILXGHTWRPGWEE-KYOSRNDESA-N 0 0 263.337 3.325 10 5 CGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2O)c(C(F)F)c1 ZINC000089166835 623601585 /nfs/dbraw/zinc/60/15/85/623601585.db2.gz CEVRZYCBBRQOIA-UFBFGSQYSA-N 0 0 286.278 3.105 10 5 CGBERN Cc1cccc(C(=O)OCC(C)(C)C)c1[N+](=O)[O-] ZINC000102144744 634543245 /nfs/dbraw/zinc/54/32/45/634543245.db2.gz VXSTWEOZZYYBOS-UHFFFAOYSA-N 0 0 251.282 3.106 10 5 CGBERN CC[C@@H](C)OC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000103665486 630374811 /nfs/dbraw/zinc/37/48/11/630374811.db2.gz PNYBBNQGAHJRJP-LLVKDONJSA-N 0 0 280.324 3.129 10 5 CGBERN C[C@H](O)c1nc2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000192996919 640424741 /nfs/dbraw/zinc/42/47/41/640424741.db2.gz HNFCRHPPBXRIFD-NSHDSACASA-N 0 0 297.314 3.046 10 5 CGBERN CC(C)(C)OC(=O)n1cc([N+](=O)[O-])c2ccccc21 ZINC000034964618 344941215 /nfs/dbraw/zinc/94/12/15/344941215.db2.gz URNTXGVJKFWNCP-UHFFFAOYSA-N 0 0 262.265 3.333 10 5 CGBERN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000037379072 344949848 /nfs/dbraw/zinc/94/98/48/344949848.db2.gz FFTAJQXHUVKMBA-HZMBPMFUSA-N 0 0 287.319 3.122 10 5 CGBERN O=[N+]([O-])c1cccc(-c2cn3cc(F)ccc3n2)c1 ZINC000071570916 345403344 /nfs/dbraw/zinc/40/33/44/345403344.db2.gz HLIWVQQWXBNJDZ-UHFFFAOYSA-N 0 0 257.224 3.049 10 5 CGBERN Cc1ccc([C@@](C)(O)CNc2ccc([N+](=O)[O-])cc2C)o1 ZINC000080649241 345681622 /nfs/dbraw/zinc/68/16/22/345681622.db2.gz JXTXBZRQRMJYHZ-HNNXBMFYSA-N 0 0 290.319 3.124 10 5 CGBERN O=[N+]([O-])c1cccc(-c2cc(Cl)nc(Cl)n2)c1 ZINC000088832290 345765950 /nfs/dbraw/zinc/76/59/50/345765950.db2.gz YZZHYZCWCGURTD-UHFFFAOYSA-N 0 0 270.075 3.359 10 5 CGBERN Cc1cc(N2CCCC[C@@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000092666896 345851370 /nfs/dbraw/zinc/85/13/70/345851370.db2.gz DGTQYUBGCKVWAX-OAHLLOKOSA-N 0 0 286.335 3.358 10 5 CGBERN CCn1cc(Br)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000165648738 346184796 /nfs/dbraw/zinc/18/47/96/346184796.db2.gz ICYGNGPNIJTERK-UHFFFAOYSA-N 0 0 296.124 3.241 10 5 CGBERN O=[N+]([O-])c1cccc(-c2cn3cccc(F)c3n2)c1 ZINC000230454986 346321563 /nfs/dbraw/zinc/32/15/63/346321563.db2.gz MXWMNKSZILZYMH-UHFFFAOYSA-N 0 0 257.224 3.049 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CO)c1C(F)(F)F ZINC000514282042 346638001 /nfs/dbraw/zinc/63/80/01/346638001.db2.gz NVDGEIMJYPASKV-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CCSc1nnc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000584622786 346696433 /nfs/dbraw/zinc/69/64/33/346696433.db2.gz HBQLRUZQJOQPCK-UHFFFAOYSA-N 0 0 285.712 3.410 10 5 CGBERN CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)s1 ZINC000135037040 187791234 /nfs/dbraw/zinc/79/12/34/187791234.db2.gz RIKSWWKIBNZZTK-SECBINFHSA-N 0 0 292.364 3.490 10 5 CGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000117563138 138366316 /nfs/dbraw/zinc/36/63/16/138366316.db2.gz KUPCPMRQJJFDIC-MEBBXXQBSA-N 0 0 299.282 3.065 10 5 CGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC(C)(C)C ZINC000103377379 291163154 /nfs/dbraw/zinc/16/31/54/291163154.db2.gz WQJWVDWAOUCJJN-JTQLQIEISA-N 0 0 276.336 3.309 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2F)c(F)c1 ZINC000301321010 200974706 /nfs/dbraw/zinc/97/47/06/200974706.db2.gz SNDKUEXEFXJIPB-AWEZNQCLSA-N 0 0 294.257 3.019 10 5 CGBERN CCC[C@@]1(COC)CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000302835850 283745254 /nfs/dbraw/zinc/74/52/54/283745254.db2.gz VZNMGAJDVSXLQJ-HNNXBMFYSA-N 0 0 293.367 3.084 10 5 CGBERN O=C(Cc1ccccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000034963928 368983529 /nfs/dbraw/zinc/98/35/29/368983529.db2.gz DFJJLXOAVXRABM-UHFFFAOYSA-N 0 0 276.679 3.069 10 5 CGBERN C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)s1 ZINC000042240394 369207936 /nfs/dbraw/zinc/20/79/36/369207936.db2.gz JIQHVHZIYXGWNQ-LURJTMIESA-N 0 0 286.744 3.216 10 5 CGBERN CC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000227014931 189779478 /nfs/dbraw/zinc/77/94/78/189779478.db2.gz VJGODVIKIXNYKA-JOYOIKCWSA-N 0 0 257.293 3.353 10 5 CGBERN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000049526138 369406868 /nfs/dbraw/zinc/40/68/68/369406868.db2.gz QOLXTFCQCIGFMG-QMMMGPOBSA-N 0 0 278.699 3.211 10 5 CGBERN Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)cc1F ZINC000094957895 370169248 /nfs/dbraw/zinc/16/92/48/370169248.db2.gz PCZUMDIGWZVTJP-VIFPVBQESA-N 0 0 276.271 3.005 10 5 CGBERN O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114201480 370493132 /nfs/dbraw/zinc/49/31/32/370493132.db2.gz HZPMULSABGMSLQ-CQSZACIVSA-N 0 0 286.335 3.045 10 5 CGBERN CC[C@@H](CSC)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000133143520 371230310 /nfs/dbraw/zinc/23/03/10/371230310.db2.gz UBXWICOESLZTNQ-VIFPVBQESA-N 0 0 258.318 3.287 10 5 CGBERN Cc1nc(NC(=O)c2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000133710211 371274350 /nfs/dbraw/zinc/27/43/50/371274350.db2.gz FTHUKHIOYAVNGF-UHFFFAOYSA-N 0 0 296.286 3.032 10 5 CGBERN COCc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000149032367 371526072 /nfs/dbraw/zinc/52/60/72/371526072.db2.gz MUUHCLGEEPGUSQ-UHFFFAOYSA-N 0 0 290.294 3.492 10 5 CGBERN C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000150064934 371530333 /nfs/dbraw/zinc/53/03/33/371530333.db2.gz SCJVGDULRAKYMB-XVKPBYJWSA-N 0 0 290.241 3.203 10 5 CGBERN CC[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000336811039 213679680 /nfs/dbraw/zinc/67/96/80/213679680.db2.gz KULCBUFHFNHZDH-SECBINFHSA-N 0 0 280.353 3.446 10 5 CGBERN CCOC(=O)c1cc(O)c(-c2ccccc2)c([N+](=O)[O-])c1 ZINC000196802098 376120818 /nfs/dbraw/zinc/12/08/18/376120818.db2.gz JEYRRUOEJLXTLA-UHFFFAOYSA-N 0 0 287.271 3.144 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227286315 376388616 /nfs/dbraw/zinc/38/86/16/376388616.db2.gz JZDVKPINDGDYPN-APPZFPTMSA-N 0 0 255.705 3.244 10 5 CGBERN CCc1cc([N+](=O)[O-])cc(Br)c1CC ZINC000575681073 377955643 /nfs/dbraw/zinc/95/56/43/377955643.db2.gz SFKQMEKFBTXWRZ-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN CCOc1cc(CC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575655620 377932519 /nfs/dbraw/zinc/93/25/19/377932519.db2.gz MLFKIMXSQMETDL-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1OC(F)(F)F ZINC000575668939 377946154 /nfs/dbraw/zinc/94/61/54/377946154.db2.gz WAQWRMHORLOTGN-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN CC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Br ZINC000575677335 377951712 /nfs/dbraw/zinc/95/17/12/377951712.db2.gz KCXRPLIFXNZYMQ-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CC(=O)c1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000575441971 377912272 /nfs/dbraw/zinc/91/22/72/377912272.db2.gz KFQJRAVBEWSISI-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CC(=O)c1cc(C(F)F)c([N+](=O)[O-])cc1Br ZINC000575684261 377959331 /nfs/dbraw/zinc/95/93/31/377959331.db2.gz DIPRFIYVVCFOGS-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN COc1cc([N+](=O)[O-])cc(C(F)F)c1Br ZINC000575688178 377963416 /nfs/dbraw/zinc/96/34/16/377963416.db2.gz YVXCOQPHIJJHKG-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(C)=O ZINC000575704058 377976815 /nfs/dbraw/zinc/97/68/15/377976815.db2.gz SWBZIBCCISAEAW-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN O=C1CCC[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000091692480 296321142 /nfs/dbraw/zinc/32/11/42/296321142.db2.gz LNULIIPCSKKNOC-SECBINFHSA-N 0 0 258.277 3.303 10 5 CGBERN O=[N+]([O-])c1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl ZINC000091252365 285097347 /nfs/dbraw/zinc/09/73/47/285097347.db2.gz QAVLVSIYNZSAEF-UHFFFAOYSA-N 0 0 270.550 3.175 10 5 CGBERN O=c1cccc2nc3ccc(Br)cccc-3c1-2 ZINC000091368634 285221973 /nfs/dbraw/zinc/22/19/73/285221973.db2.gz GTSAYVGHVRCUCF-UHFFFAOYSA-N 0 0 286.128 3.414 10 5 CGBERN Cc1cc(O)ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000080359310 177645343 /nfs/dbraw/zinc/64/53/43/177645343.db2.gz BSEHNAUJVOTBIW-UHFFFAOYSA-N 0 0 258.277 3.221 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCS[C@H](C)C1 ZINC000302702077 392619079 /nfs/dbraw/zinc/61/90/79/392619079.db2.gz VEFXWRDEAMXTMQ-SECBINFHSA-N 0 0 286.784 3.498 10 5 CGBERN O=[N+]([O-])c1cc(Br)cc(F)c1C(F)F ZINC000307163320 392647825 /nfs/dbraw/zinc/64/78/25/392647825.db2.gz LVAHFFUWLOQXKZ-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN O=[N+]([O-])c1cc(Br)ccc1-c1ncco1 ZINC000095830846 296497457 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C[C@H]1CCCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020444919 171206450 /nfs/dbraw/zinc/20/64/50/171206450.db2.gz DNCSAGGNYZHXIQ-GWCFXTLKSA-N 0 0 263.293 3.365 10 5 CGBERN CCCCCCNc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000035052222 171952473 /nfs/dbraw/zinc/95/24/73/171952473.db2.gz MILUUUNRJZIDTI-UHFFFAOYSA-N 0 0 266.297 3.316 10 5 CGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 ZINC000035134585 172001134 /nfs/dbraw/zinc/00/11/34/172001134.db2.gz OUMHQIWYQVBSLW-UHFFFAOYSA-N 0 0 281.271 3.328 10 5 CGBERN C[C@H](O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035188713 172043529 /nfs/dbraw/zinc/04/35/29/172043529.db2.gz NQVNDZHKECEPKC-NSHDSACASA-N 0 0 273.288 3.227 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)c(F)c1 ZINC000035207728 172053128 /nfs/dbraw/zinc/05/31/28/172053128.db2.gz ONTMOEKXEWAMOW-UHFFFAOYSA-N 0 0 279.198 3.478 10 5 CGBERN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000035216710 172058066 /nfs/dbraw/zinc/05/80/66/172058066.db2.gz GTAZNPGZRXVRFA-PELKAZGASA-N 0 0 270.716 3.228 10 5 CGBERN O=[N+]([O-])c1ccc(NCC(F)(F)F)c2cccnc21 ZINC000035340773 172132977 /nfs/dbraw/zinc/13/29/77/172132977.db2.gz QEOUYPUCMXXKST-UHFFFAOYSA-N 0 0 271.198 3.117 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cccc3cccnc32)o1 ZINC000037195745 173024214 /nfs/dbraw/zinc/02/42/14/173024214.db2.gz MTLYILLGKCCQSK-UHFFFAOYSA-N 0 0 269.260 3.348 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cccc(Cl)c2)o1 ZINC000037202438 173026339 /nfs/dbraw/zinc/02/63/39/173026339.db2.gz BRSXROSIYQKTOF-UHFFFAOYSA-N 0 0 252.657 3.453 10 5 CGBERN CO[C@@H]1CCCC[C@@H]1Nc1cccc([N+](=O)[O-])c1C ZINC000037299535 173104598 /nfs/dbraw/zinc/10/45/98/173104598.db2.gz QUGRRHBTJFZMCA-GXTWGEPZSA-N 0 0 264.325 3.273 10 5 CGBERN C[C@@H](O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000038080638 174090574 /nfs/dbraw/zinc/09/05/74/174090574.db2.gz AACHQGZTMRQRPS-SNVBAGLBSA-N 0 0 259.261 3.440 10 5 CGBERN CC(C)(C)OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000038273115 174138267 /nfs/dbraw/zinc/13/82/67/174138267.db2.gz AEIHOUCJAIZEFV-UHFFFAOYSA-N 0 0 256.233 3.081 10 5 CGBERN CCCNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040596974 174349239 /nfs/dbraw/zinc/34/92/39/174349239.db2.gz HYJIIEMZARJPII-UHFFFAOYSA-N 0 0 290.348 3.358 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1C[C@H]1CCCCC[C@H]1O ZINC000043658796 175085810 /nfs/dbraw/zinc/08/58/10/175085810.db2.gz IXPMLSJMYSRVHS-QMTHXVAHSA-N 0 0 267.300 3.218 10 5 CGBERN CC[C@@H](NCc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000044692640 175234046 /nfs/dbraw/zinc/23/40/46/175234046.db2.gz BECOGAOBMHMHRQ-CQSZACIVSA-N 0 0 275.308 3.132 10 5 CGBERN CCC1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000074385842 176538230 /nfs/dbraw/zinc/53/82/30/176538230.db2.gz PHNNMAMGOWUARV-UHFFFAOYSA-N 0 0 290.363 3.222 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000219361376 270085717 /nfs/dbraw/zinc/08/57/17/270085717.db2.gz KDMDKGMHVVXEOY-KCJUWKMLSA-N 0 0 260.297 3.072 10 5 CGBERN Cc1cccc2oc(-c3cc([N+](=O)[O-])ccc3N)nc21 ZINC000038052753 281325634 /nfs/dbraw/zinc/32/56/34/281325634.db2.gz 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/nfs/dbraw/zinc/81/59/90/345815990.db2.gz ZRYWMXVILQAOIG-NSHDSACASA-N 0 0 289.360 3.435 10 5 CGBERN O=[N+]([O-])CCc1ccc(Oc2cccc(F)c2)cc1 ZINC000113992563 345963443 /nfs/dbraw/zinc/96/34/43/345963443.db2.gz PQTZDSMCMHWJKB-UHFFFAOYSA-N 0 0 261.252 3.437 10 5 CGBERN COc1cc(Nc2ncccc2[N+](=O)[O-])ccc1C ZINC000196393085 346275763 /nfs/dbraw/zinc/27/57/63/346275763.db2.gz RXRMJELZLOYNIM-UHFFFAOYSA-N 0 0 259.265 3.050 10 5 CGBERN Nc1c(C(F)(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000514264214 346636356 /nfs/dbraw/zinc/63/63/56/346636356.db2.gz JRCJPZOVHMBQEM-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN COc1c(C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000584637683 346701747 /nfs/dbraw/zinc/70/17/47/346701747.db2.gz DBKNYQMPVBZKNS-UHFFFAOYSA-N 0 0 274.114 3.489 10 5 CGBERN CO[C@H](C[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000584593121 346686466 /nfs/dbraw/zinc/68/64/66/346686466.db2.gz GMTGQOKHTDFJIB-MRXNPFEDSA-N 0 0 287.315 3.230 10 5 CGBERN CCCCC[C@@H]([N+](=O)[O-])P(=O)(OCC)OCC ZINC000584602530 346689927 /nfs/dbraw/zinc/68/99/27/346689927.db2.gz ZFTQGZPQWHHSFK-JTQLQIEISA-N 0 0 267.262 3.436 10 5 CGBERN COc1ccc([C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000584619934 346695138 /nfs/dbraw/zinc/69/51/38/346695138.db2.gz NISKEYKAJZPUKH-VIFPVBQESA-N 0 0 298.553 3.426 10 5 CGBERN Cc1ncsc1CN(C)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000104448339 186005579 /nfs/dbraw/zinc/00/55/79/186005579.db2.gz KGKCSEDZOMXVAT-UHFFFAOYSA-N 0 0 298.755 3.045 10 5 CGBERN Cc1ccc([C@](C)(O)CNc2c(C)cccc2[N+](=O)[O-])o1 ZINC000301420113 201002902 /nfs/dbraw/zinc/00/29/02/201002902.db2.gz NFHJVHYWRZPEIN-OAHLLOKOSA-N 0 0 290.319 3.124 10 5 CGBERN Cc1cc(NCC[C@@H](O)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301462221 201018137 /nfs/dbraw/zinc/01/81/37/201018137.db2.gz FAYZDHSLRIDFSE-CYBMUJFWSA-N 0 0 286.759 3.376 10 5 CGBERN O=[N+]([O-])c1ccc(NCCC2=CCOCC2)c2ncccc12 ZINC000301798390 201204609 /nfs/dbraw/zinc/20/46/09/201204609.db2.gz BCTXVWSDANHGJV-UHFFFAOYSA-N 0 0 299.330 3.292 10 5 CGBERN CCC(CC)[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302018619 201300016 /nfs/dbraw/zinc/30/00/16/201300016.db2.gz DFKVIIVQELENPB-AWEZNQCLSA-N 0 0 292.379 3.350 10 5 CGBERN O=[N+]([O-])CCc1ccc(OCc2ccccc2)cc1 ZINC000002519129 368460371 /nfs/dbraw/zinc/46/03/71/368460371.db2.gz UIFYMZJPIMTAPP-UHFFFAOYSA-N 0 0 257.289 3.085 10 5 CGBERN O=[N+]([O-])c1ccccc1N[C@H]1COc2ccccc21 ZINC000058545182 369570390 /nfs/dbraw/zinc/57/03/90/369570390.db2.gz UAVNBPZKQRWZBC-LBPRGKRZSA-N 0 0 256.261 3.140 10 5 CGBERN C[C@H](Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000062188311 369622021 /nfs/dbraw/zinc/62/20/21/369622021.db2.gz FSSKFRRPQCVFLO-LLVKDONJSA-N 0 0 257.293 3.033 10 5 CGBERN O=[N+]([O-])c1cc(Br)ccc1C(F)F ZINC000095347763 370177275 /nfs/dbraw/zinc/17/72/75/370177275.db2.gz WQYFQJRYDDBGOK-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN O=[N+]([O-])c1cnc(Cl)c(Br)c1Cl ZINC000098177613 370268115 /nfs/dbraw/zinc/26/81/15/370268115.db2.gz WQVDZYQKROCNIZ-UHFFFAOYSA-N 0 0 271.885 3.059 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000132728973 371197717 /nfs/dbraw/zinc/19/77/17/371197717.db2.gz AEFIVNIGSWITBM-BXUZGUMPSA-N 0 0 293.319 3.077 10 5 CGBERN CC(C)(C)[C@@H](O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000290189507 371929966 /nfs/dbraw/zinc/92/99/66/371929966.db2.gz RNUOMVUHTVXKKA-NSHDSACASA-N 0 0 273.716 3.034 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H](O)c1ccccc1F ZINC000302824863 373976936 /nfs/dbraw/zinc/97/69/36/373976936.db2.gz XNYNXSJUKZGWTI-CQSZACIVSA-N 0 0 294.257 3.019 10 5 CGBERN Cc1cnc([C@H](C)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000235525816 376643677 /nfs/dbraw/zinc/64/36/77/376643677.db2.gz GZIOCTXOPKENCF-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000248386069 377300680 /nfs/dbraw/zinc/30/06/80/377300680.db2.gz KZZWZLZDWRQGBW-UGFHNGPFSA-N 0 0 288.347 3.246 10 5 CGBERN CCOc1cc(CC)c([N+](=O)[O-])cc1OC(F)F ZINC000575654642 377931981 /nfs/dbraw/zinc/93/19/81/377931981.db2.gz FIRFHTNSRVFWMV-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1ccc(OC(F)F)c([N+](=O)[O-])c1CC ZINC000575657274 377933650 /nfs/dbraw/zinc/93/36/50/377933650.db2.gz ZNLRNIGEDDFTJK-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1c(F)cc(OC(F)(F)F)cc1OC(F)F ZINC000575661107 377937433 /nfs/dbraw/zinc/93/74/33/377937433.db2.gz JCRQCWMYTARPDG-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(F)c(OC(F)(F)F)c1 ZINC000575661390 377938908 /nfs/dbraw/zinc/93/89/08/377938908.db2.gz OEBOOIJXBBZQFC-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN Cc1cc(OC(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575669100 377945990 /nfs/dbraw/zinc/94/59/90/377945990.db2.gz YJTLIEQGUYKLOV-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN CCOC(=O)Cc1cc(C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000575673362 377948826 /nfs/dbraw/zinc/94/88/26/377948826.db2.gz JOOVLASQQXRXMH-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CCc1cc(Br)cc([N+](=O)[O-])c1CC ZINC000575680153 377953961 /nfs/dbraw/zinc/95/39/61/377953961.db2.gz HXSCBQVJTNSDGV-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN O=[N+]([O-])c1c(C(F)(F)F)cncc1C(F)(F)F ZINC000575397581 377904645 /nfs/dbraw/zinc/90/46/45/377904645.db2.gz NUGWXYOHZXIOMZ-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=[N+]([O-])c1nc(C(F)(F)F)ccc1C(F)(F)F ZINC000575397592 377904977 /nfs/dbraw/zinc/90/49/77/377904977.db2.gz PDZLHXFEKPWNSY-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN O=Cc1c(Br)c([N+](=O)[O-])ccc1C(F)F ZINC000575687177 377961886 /nfs/dbraw/zinc/96/18/86/377961886.db2.gz UQZBJFBBEPRKGK-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl ZINC000575693999 377968147 /nfs/dbraw/zinc/96/81/47/377968147.db2.gz GPZYEJYJUQWSRH-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1cc(F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575697540 377970772 /nfs/dbraw/zinc/97/07/72/377970772.db2.gz FPQVLUSYCGXJSI-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2CCC[C@@H]21 ZINC000408371949 380007057 /nfs/dbraw/zinc/00/70/57/380007057.db2.gz ACABUYVHOUQXCT-MFKMUULPSA-N 0 0 299.330 3.091 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H]2COc3ccccc32)c(F)c1 ZINC000070198948 285136586 /nfs/dbraw/zinc/13/65/86/285136586.db2.gz GIHFHCVVMRDBLE-ZDUSSCGKSA-N 0 0 274.251 3.280 10 5 CGBERN Cc1cnc(N[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000090692290 392230007 /nfs/dbraw/zinc/23/00/07/392230007.db2.gz XAJKFFBDTRKEAB-GFCCVEGCSA-N 0 0 285.303 3.234 10 5 CGBERN O=[N+]([O-])c1c(F)c(Br)ccc1C(F)F ZINC000307490078 397680780 /nfs/dbraw/zinc/68/07/80/397680780.db2.gz ABIRFCGBYONXSS-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN CC(C)[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080055672 287062863 /nfs/dbraw/zinc/06/28/63/287062863.db2.gz HMAPCFLJLDZMRO-NSHDSACASA-N 0 0 293.367 3.174 10 5 CGBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000078585524 165136903 /nfs/dbraw/zinc/13/69/03/165136903.db2.gz CCQNZSIFSSMFDZ-GXSJLCMTSA-N 0 0 267.354 3.076 10 5 CGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000035134881 172001779 /nfs/dbraw/zinc/00/17/79/172001779.db2.gz AKEVJPHOPYZVHT-MRVPVSSYSA-N 0 0 294.694 3.332 10 5 CGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000035134880 172001877 /nfs/dbraw/zinc/00/18/77/172001877.db2.gz AKEVJPHOPYZVHT-QMMMGPOBSA-N 0 0 294.694 3.332 10 5 CGBERN Cc1ccc(NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000035223813 172068078 /nfs/dbraw/zinc/06/80/78/172068078.db2.gz NEAFMUVGKJPONG-UHFFFAOYSA-N 0 0 286.287 3.244 10 5 CGBERN Cc1nc(CNc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000035223797 172068161 /nfs/dbraw/zinc/06/81/61/172068161.db2.gz MCSCBRBXQYQGHG-UHFFFAOYSA-N 0 0 263.322 3.280 10 5 CGBERN CC(C)CCCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925825 172808476 /nfs/dbraw/zinc/80/84/76/172808476.db2.gz ODWQMVQJGDDYLM-UHFFFAOYSA-N 0 0 258.705 3.458 10 5 CGBERN CCC[C@H](C)CNc1cc([N+](=O)[O-])ccc1OC ZINC000037058260 172924293 /nfs/dbraw/zinc/92/42/93/172924293.db2.gz PAYMKVWVNRSVCN-JTQLQIEISA-N 0 0 252.314 3.452 10 5 CGBERN O=[N+]([O-])c1ccccc1NCc1c(F)cccc1F ZINC000037058882 172924383 /nfs/dbraw/zinc/92/43/83/172924383.db2.gz GMFIQGFAYCUQOT-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN C[C@H](Nc1cc([N+](=O)[O-])ccc1F)c1ccncc1 ZINC000037060459 172925203 /nfs/dbraw/zinc/92/52/03/172925203.db2.gz YNUVKTKSINCXTQ-VIFPVBQESA-N 0 0 261.256 3.302 10 5 CGBERN COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])o1 ZINC000037200766 173025645 /nfs/dbraw/zinc/02/56/45/173025645.db2.gz AMYHZFNBFNETJB-UHFFFAOYSA-N 0 0 262.265 3.117 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2ccccc2Cl)o1 ZINC000037210754 173032567 /nfs/dbraw/zinc/03/25/67/173032567.db2.gz OHXYGAVBPSOIBM-UHFFFAOYSA-N 0 0 252.657 3.453 10 5 CGBERN O=Cc1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000038081208 174090698 /nfs/dbraw/zinc/09/06/98/174090698.db2.gz FSTQVTJXQTZPPW-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000052119700 175532896 /nfs/dbraw/zinc/53/28/96/175532896.db2.gz WICVVJXRIFCBHP-UHFFFAOYSA-N 0 0 291.238 3.254 10 5 CGBERN CC(C)OCC(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000396508768 288013301 /nfs/dbraw/zinc/01/33/01/288013301.db2.gz ZHXCJRHEKVPPQU-UHFFFAOYSA-N 0 0 270.304 3.349 10 5 CGBERN C[C@H]1C[C@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000052291993 280021249 /nfs/dbraw/zinc/02/12/49/280021249.db2.gz ABEBSWBPZQUMBB-IMTBSYHQSA-N 0 0 260.215 3.434 10 5 CGBERN Cc1cc(N2CCC[C@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC000301521655 280556571 /nfs/dbraw/zinc/55/65/71/280556571.db2.gz LMHKQBMUSZCSCR-CHWSQXEVSA-N 0 0 275.352 3.457 10 5 CGBERN CC(C)c1cc(=S)n(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000052305183 519833557 /nfs/dbraw/zinc/83/35/57/519833557.db2.gz NMMDSDYXRNLBIG-UHFFFAOYSA-N 0 0 263.322 3.193 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000163236754 534333854 /nfs/dbraw/zinc/33/38/54/534333854.db2.gz JVSOJEGSUDUEIH-NEPJUHHUSA-N 0 0 290.363 3.411 10 5 CGBERN CNc1c(C(=O)N2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000161410332 522538451 /nfs/dbraw/zinc/53/84/51/522538451.db2.gz MPRGBXHMAYREPY-GHMZBOCLSA-N 0 0 291.351 3.040 10 5 CGBERN CNc1ncccc1CSc1ccc([N+](=O)[O-])cc1 ZINC000052756335 522711787 /nfs/dbraw/zinc/71/17/87/522711787.db2.gz JSRZKQZMIRNBQI-UHFFFAOYSA-N 0 0 275.333 3.324 10 5 CGBERN C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000214727770 525675360 /nfs/dbraw/zinc/67/53/60/525675360.db2.gz RVGXJPACNYTQSI-HZMBPMFUSA-N 0 0 287.319 3.122 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1OCc1ccc(Cl)s1 ZINC000050517912 527352882 /nfs/dbraw/zinc/35/28/82/527352882.db2.gz BUXBAKZREHJHJW-UHFFFAOYSA-N 0 0 299.735 3.381 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]1C ZINC000888288255 624153670 /nfs/dbraw/zinc/15/36/70/624153670.db2.gz GUCWWPJEZPICJA-CBAPKCEASA-N 0 0 283.715 3.087 10 5 CGBERN CCC[C@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000233389849 624624812 /nfs/dbraw/zinc/62/48/12/624624812.db2.gz SXJUIUNPUYRGPN-WCBMZHEXSA-N 0 0 282.727 3.167 10 5 CGBERN CSCCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445233 799694702 /nfs/dbraw/zinc/69/47/02/799694702.db2.gz VONORXMVFLBXJH-KHPPLWFESA-N 0 0 295.360 3.294 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCC1 ZINC000588440295 799695336 /nfs/dbraw/zinc/69/53/36/799695336.db2.gz DDLJXYSBIPAXHM-BENRWUELSA-N 0 0 288.347 3.305 10 5 CGBERN Cc1cc(I)c(Cl)cc1[N+](=O)[O-] ZINC000039174660 344957943 /nfs/dbraw/zinc/95/79/43/344957943.db2.gz PWBLAXJHLGOZET-UHFFFAOYSA-N 0 0 297.479 3.161 10 5 CGBERN Cc1cc(N2C[C@H]3CC=CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000078370661 345604385 /nfs/dbraw/zinc/60/43/85/345604385.db2.gz FUSDHOFDILALPH-CHWSQXEVSA-N 0 0 258.321 3.306 10 5 CGBERN Cc1ccc([C@](C)(O)CNc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000080649229 345681441 /nfs/dbraw/zinc/68/14/41/345681441.db2.gz GZYHPWOFRKCDJB-OAHLLOKOSA-N 0 0 290.319 3.124 10 5 CGBERN Cc1cc(NC[C@H]2CCC[C@H]2O)c(Cl)cc1[N+](=O)[O-] ZINC000080652017 345681576 /nfs/dbraw/zinc/68/15/76/345681576.db2.gz RGYYJFZZKCEGKY-NOZJJQNGSA-N 0 0 284.743 3.130 10 5 CGBERN O=[N+]([O-])c1cccc(-c2csc(Br)n2)c1 ZINC000139285838 346099765 /nfs/dbraw/zinc/09/97/65/346099765.db2.gz OWKSRWFMDMCMIZ-UHFFFAOYSA-N 0 0 285.122 3.481 10 5 CGBERN C[C@H](Cc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-] ZINC000196396947 346275668 /nfs/dbraw/zinc/27/56/68/346275668.db2.gz XRXOLRXGONHHKB-CYBMUJFWSA-N 0 0 271.316 3.473 10 5 CGBERN COc1ccc(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000220381382 346296174 /nfs/dbraw/zinc/29/61/74/346296174.db2.gz RZFKOHXTGQXGOX-UHFFFAOYSA-N 0 0 290.231 3.304 10 5 CGBERN CSc1cc(F)cc([N+](=O)[O-])c1Br ZINC000306274854 346452441 /nfs/dbraw/zinc/45/24/41/346452441.db2.gz BNLWLXVKTRSIQO-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN CSc1ccc(Br)c(F)c1[N+](=O)[O-] ZINC000306325173 346453555 /nfs/dbraw/zinc/45/35/55/346453555.db2.gz RJNQKEULLONGJB-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN Cc1ccc(Br)c(Cl)c1[N+](=O)[O-] ZINC000306820471 346457926 /nfs/dbraw/zinc/45/79/26/346457926.db2.gz DQLLAAJDZUHZOP-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN CSc1c(Br)ccc(C)c1[N+](=O)[O-] ZINC000307273699 346461374 /nfs/dbraw/zinc/46/13/74/346461374.db2.gz JZRLOSIPRCGHKK-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(OC(F)F)c1Br ZINC000396044686 346578778 /nfs/dbraw/zinc/57/87/78/346578778.db2.gz ZCXPSYSXTXHCSE-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(CO)cc1C(F)(F)F ZINC000514282033 346637903 /nfs/dbraw/zinc/63/79/03/346637903.db2.gz CZDGABDAZHNQLS-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c(CO)c1 ZINC000104299816 185959778 /nfs/dbraw/zinc/95/97/78/185959778.db2.gz TYPPSYFVTYTEIV-UHFFFAOYSA-N 0 0 279.292 3.377 10 5 CGBERN Cc1cnc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000227556158 138501400 /nfs/dbraw/zinc/50/14/00/138501400.db2.gz IFDKDWIFJOXGHU-LLVKDONJSA-N 0 0 275.308 3.050 10 5 CGBERN Cc1ccc(NCCC2=CCOCC2)c([N+](=O)[O-])c1 ZINC000301834197 201224846 /nfs/dbraw/zinc/22/48/46/201224846.db2.gz VOSFOLLXLHKCEL-UHFFFAOYSA-N 0 0 262.309 3.052 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1NC/C=C/c1ccccc1 ZINC000302066459 201329955 /nfs/dbraw/zinc/32/99/55/201329955.db2.gz UKOBXJLWDQQVID-QPJJXVBHSA-N 0 0 284.315 3.212 10 5 CGBERN CCC[C@@]1(COC)CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000302836241 283745738 /nfs/dbraw/zinc/74/57/38/283745738.db2.gz WIXZFKYDOXGUEH-HNNXBMFYSA-N 0 0 293.367 3.084 10 5 CGBERN COc1ccc(NCc2ccccc2)cc1[N+](=O)[O-] ZINC000041571554 369192073 /nfs/dbraw/zinc/19/20/73/369192073.db2.gz OZTUEFUYETVNNJ-UHFFFAOYSA-N 0 0 258.277 3.216 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccccc1F ZINC000052119305 369464634 /nfs/dbraw/zinc/46/46/34/369464634.db2.gz VARCKFNXHHFYCC-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1Cc2ccccc21 ZINC000052119653 369464720 /nfs/dbraw/zinc/46/47/20/369464720.db2.gz RHQKLUPWTWAFSM-NSHDSACASA-N 0 0 272.279 3.486 10 5 CGBERN C/C=C/CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000231629764 189814090 /nfs/dbraw/zinc/81/40/90/189814090.db2.gz URVQBCXRKONHDD-NSCUHMNNSA-N 0 0 286.129 3.130 10 5 CGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccco2)c1 ZINC000136295064 371473467 /nfs/dbraw/zinc/47/34/67/371473467.db2.gz VYHBJFAPNZTYGM-VIFPVBQESA-N 0 0 290.275 3.148 10 5 CGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCCC[C@H]32)nc1 ZINC000301057823 373642671 /nfs/dbraw/zinc/64/26/71/373642671.db2.gz IOYHLYIJLVCNOL-WCQYABFASA-N 0 0 261.325 3.149 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H](O)c1cccc(F)c1 ZINC000302793800 373965693 /nfs/dbraw/zinc/96/56/93/373965693.db2.gz HQRQUVDQCVBWLW-AWEZNQCLSA-N 0 0 294.257 3.019 10 5 CGBERN Cc1cnc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000226547692 376362985 /nfs/dbraw/zinc/36/29/85/376362985.db2.gz XAUAQIBVQOAYAD-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000231663777 376562426 /nfs/dbraw/zinc/56/24/26/376562426.db2.gz KXCBSJNCFKNNLM-MWLCHTKSSA-N 0 0 250.298 3.204 10 5 CGBERN COc1cc(OC(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575667298 377945216 /nfs/dbraw/zinc/94/52/16/377945216.db2.gz PFRFZNVGUSTCPI-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575667507 377945345 /nfs/dbraw/zinc/94/53/45/377945345.db2.gz NVZSVRSGTRJITK-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1ccc(C(F)F)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575672148 377948726 /nfs/dbraw/zinc/94/87/26/377948726.db2.gz QWXCMIROMLCAQV-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)Cc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575673039 377948816 /nfs/dbraw/zinc/94/88/16/377948816.db2.gz APHIAYJDRVCPMH-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(Br)cc1C(F)F ZINC000575686633 377961998 /nfs/dbraw/zinc/96/19/98/377961998.db2.gz QHRVKURMOXFSHN-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=Cc1ccc(Br)c(C(F)F)c1[N+](=O)[O-] ZINC000575688056 377963160 /nfs/dbraw/zinc/96/31/60/377963160.db2.gz XLYZCQMYNVBKGD-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCOc1cc(C(F)(F)F)cc(OC)c1[N+](=O)[O-] ZINC000575699151 377971137 /nfs/dbraw/zinc/97/11/37/377971137.db2.gz QHYXFMAJKAFCQX-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCc1cc(OC)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575706621 377978193 /nfs/dbraw/zinc/97/81/93/377978193.db2.gz STRALJUPTCFHQR-UHFFFAOYSA-N 0 0 265.187 3.064 10 5 CGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2CCC[C@H]21 ZINC000408372594 380007886 /nfs/dbraw/zinc/00/78/86/380007886.db2.gz AZVFUITVGDARSQ-MEBBXXQBSA-N 0 0 299.330 3.091 10 5 CGBERN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2nccs2)s1 ZINC000195512139 130745777 /nfs/dbraw/zinc/74/57/77/130745777.db2.gz RMFSAKXBDMKYHH-MRVPVSSYSA-N 0 0 296.377 3.239 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C1CCC1 ZINC000102875168 392274372 /nfs/dbraw/zinc/27/43/72/392274372.db2.gz BUXONLUSWRFXGM-HNNXBMFYSA-N 0 0 288.347 3.308 10 5 CGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(C)C)c1 ZINC000248299297 131113476 /nfs/dbraw/zinc/11/34/76/131113476.db2.gz ZIWCAICRODEVHX-VIFPVBQESA-N 0 0 282.365 3.091 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(Br)c1C(F)F ZINC000307532270 392652824 /nfs/dbraw/zinc/65/28/24/392652824.db2.gz XUAGUFRDEIAQMW-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN C[C@@H](O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000035631367 134799668 /nfs/dbraw/zinc/79/96/68/134799668.db2.gz AETWNTDQGWCIQI-GRYCIOLGSA-N 0 0 278.352 3.130 10 5 CGBERN COc1ccc(CNc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000006569348 170214220 /nfs/dbraw/zinc/21/42/20/170214220.db2.gz SBGJTYHWGJJOPF-UHFFFAOYSA-N 0 0 288.303 3.224 10 5 CGBERN Cc1cccc(OCC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000035184356 172037990 /nfs/dbraw/zinc/03/79/90/172037990.db2.gz HFZIWVZSNWMJJB-UHFFFAOYSA-N 0 0 285.299 3.473 10 5 CGBERN Cc1nc2cc(NC(C)C)c([N+](=O)[O-])cc2s1 ZINC000035342505 172134655 /nfs/dbraw/zinc/13/46/55/172134655.db2.gz JYRBVINEYNSNRQ-UHFFFAOYSA-N 0 0 251.311 3.333 10 5 CGBERN O=[N+]([O-])c1cccc(CNc2cccnc2Cl)c1 ZINC000036982484 172849648 /nfs/dbraw/zinc/84/96/48/172849648.db2.gz QQVHGQUBGGEEFF-UHFFFAOYSA-N 0 0 263.684 3.255 10 5 CGBERN CCC(CC)CNc1cc([N+](=O)[O-])ccc1OC ZINC000037058292 172924193 /nfs/dbraw/zinc/92/41/93/172924193.db2.gz ZJSJFHWKTKYXFS-UHFFFAOYSA-N 0 0 252.314 3.452 10 5 CGBERN Cc1ccc(SCc2ccc([N+](=O)[O-])o2)c(N)c1 ZINC000037193107 173021779 /nfs/dbraw/zinc/02/17/79/173021779.db2.gz VDQJKOJGUOXZCS-UHFFFAOYSA-N 0 0 264.306 3.371 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2ccc(F)c(F)c2)o1 ZINC000037201638 173025075 /nfs/dbraw/zinc/02/50/75/173025075.db2.gz ZBDKSVARANXZBR-UHFFFAOYSA-N 0 0 254.192 3.078 10 5 CGBERN Cc1cccc(Nc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000040571317 174338324 /nfs/dbraw/zinc/33/83/24/174338324.db2.gz BHVYRTLMANLEFD-UHFFFAOYSA-N 0 0 264.672 3.090 10 5 CGBERN CCNc1ncnc(Nc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582924 174345693 /nfs/dbraw/zinc/34/56/93/174345693.db2.gz CMHLRCXSDABPLV-UHFFFAOYSA-N 0 0 287.323 3.177 10 5 CGBERN COc1ccc(NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000041571588 174569430 /nfs/dbraw/zinc/56/94/30/174569430.db2.gz HRSRNENWLMNQQC-UHFFFAOYSA-N 0 0 272.304 3.258 10 5 CGBERN Cc1cnc([N+](=O)[O-])c(NCc2ccc(F)cc2)c1 ZINC000071974102 176306591 /nfs/dbraw/zinc/30/65/91/176306591.db2.gz GHUIHTAVYBLIGB-UHFFFAOYSA-N 0 0 261.256 3.049 10 5 CGBERN O=[N+]([O-])c1ccc(Cc2nc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000072236673 176345789 /nfs/dbraw/zinc/34/57/89/176345789.db2.gz ATGQRSRBEGZDCY-UHFFFAOYSA-N 0 0 298.277 3.110 10 5 CGBERN CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000078670046 177368611 /nfs/dbraw/zinc/36/86/11/177368611.db2.gz OFWUHUJRMFXGPC-NSHDSACASA-N 0 0 272.732 3.067 10 5 CGBERN Cc1ccc(OCc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000103463080 270045894 /nfs/dbraw/zinc/04/58/94/270045894.db2.gz HJZGHVUQEHLDJN-UHFFFAOYSA-N 0 0 262.240 3.016 10 5 CGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(C)C ZINC000185011665 270061547 /nfs/dbraw/zinc/06/15/47/270061547.db2.gz YOPGGWLPCXXBKL-OCCSQVGLSA-N 0 0 292.379 3.324 10 5 CGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000117578730 279138206 /nfs/dbraw/zinc/13/82/06/279138206.db2.gz OENSUNRGCKUMLW-BMIGLBTASA-N 0 0 298.298 3.098 10 5 CGBERN CCNc1nc2c(C)c([N+](=O)[O-])ccc2cc1CC ZINC000063118470 520360739 /nfs/dbraw/zinc/36/07/39/520360739.db2.gz JHKWJTFISGJBPL-UHFFFAOYSA-N 0 0 259.309 3.446 10 5 CGBERN CCCC[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000050888914 521146951 /nfs/dbraw/zinc/14/69/51/521146951.db2.gz KUMQLDRFPLKICX-VIFPVBQESA-N 0 0 268.288 3.042 10 5 CGBERN CN(c1ncnc(Cl)c1[N+](=O)[O-])C1CCCCCC1 ZINC000050455140 523668931 /nfs/dbraw/zinc/66/89/31/523668931.db2.gz WKEFBJDCQYKZNI-UHFFFAOYSA-N 0 0 284.747 3.197 10 5 CGBERN CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000061569728 523924653 /nfs/dbraw/zinc/92/46/53/523924653.db2.gz YTWBFQSDDUULAZ-VIFPVBQESA-N 0 0 250.298 3.032 10 5 CGBERN Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1N ZINC000052840717 525170375 /nfs/dbraw/zinc/17/03/75/525170375.db2.gz IZMVMLKKZCSGGO-UHFFFAOYSA-N 0 0 257.293 3.098 10 5 CGBERN C[C@@H]1[C@@H](C)CCCN1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000050565292 525644739 /nfs/dbraw/zinc/64/47/39/525644739.db2.gz LCTOHBTYQBQMKR-WDEREUQCSA-N 0 0 262.309 3.032 10 5 CGBERN C[C@H](O)Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000062771451 525829245 /nfs/dbraw/zinc/82/92/45/525829245.db2.gz ADQJSAGHKJMRGM-QMMMGPOBSA-N 0 0 281.695 3.432 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(Oc2cc(C)nc(Cl)n2)c1 ZINC000052814019 526063846 /nfs/dbraw/zinc/06/38/46/526063846.db2.gz HFMDNGQKRYSWCF-UHFFFAOYSA-N 0 0 279.683 3.447 10 5 CGBERN Cc1csc(SCc2cc([N+](=O)[O-])ccc2N)n1 ZINC000050837273 526398693 /nfs/dbraw/zinc/39/86/93/526398693.db2.gz IMBMISWLKWBCIA-UHFFFAOYSA-N 0 0 281.362 3.234 10 5 CGBERN Cc1nc(-c2cc([N+](=O)[O-])ccc2C)sc1[C@@H](C)O ZINC000050441304 526563165 /nfs/dbraw/zinc/56/31/65/526563165.db2.gz AYSHGXXXSOKVSY-SECBINFHSA-N 0 0 278.333 3.388 10 5 CGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc2cc[nH]c2c1 ZINC000077568839 618812350 /nfs/dbraw/zinc/81/23/50/618812350.db2.gz DBKCWWANWUHNGB-UHFFFAOYSA-N 0 0 299.261 3.468 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)ccn1 ZINC000588435848 799693927 /nfs/dbraw/zinc/69/39/27/799693927.db2.gz NKHWJKOHJHNXSX-BENRWUELSA-N 0 0 297.314 3.340 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C1CC1 ZINC000588447234 799694901 /nfs/dbraw/zinc/69/49/01/799694901.db2.gz WOKNKZTZMPDNAX-JUDLJHIGSA-N 0 0 275.304 3.340 10 5 CGBERN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1Cl ZINC000592716013 347009995 /nfs/dbraw/zinc/00/99/95/347009995.db2.gz WSYFYUGICCHMGI-RLCGTCKNSA-N 0 0 294.738 3.167 10 5 CGBERN Cc1ccc2c(N)c([N+](=O)[O-])cc(C(F)(F)F)c2n1 ZINC000026460782 344906788 /nfs/dbraw/zinc/90/67/88/344906788.db2.gz DTKOODZSTSSBPI-UHFFFAOYSA-N 0 0 271.198 3.052 10 5 CGBERN COC(=O)Cc1cccc(Oc2cccc([N+](=O)[O-])c2)c1 ZINC000034461365 344939893 /nfs/dbraw/zinc/93/98/93/344939893.db2.gz KXWGSQKWJQMZIR-UHFFFAOYSA-N 0 0 287.271 3.103 10 5 CGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000091477451 345815862 /nfs/dbraw/zinc/81/58/62/345815862.db2.gz ZRYWMXVILQAOIG-LLVKDONJSA-N 0 0 289.360 3.435 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227866438 346311829 /nfs/dbraw/zinc/31/18/29/346311829.db2.gz SUMSRSAQXIQTET-NOZJJQNGSA-N 0 0 272.308 3.139 10 5 CGBERN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Cl ZINC000098095493 185687414 /nfs/dbraw/zinc/68/74/14/185687414.db2.gz LFTFJADDBFHMQF-UHFFFAOYSA-N 0 0 276.548 3.297 10 5 CGBERN Cc1cc(Cl)cc(I)c1[N+](=O)[O-] ZINC000307451714 346462923 /nfs/dbraw/zinc/46/29/23/346462923.db2.gz SMTLDPDSRDCSMV-UHFFFAOYSA-N 0 0 297.479 3.161 10 5 CGBERN Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000514264375 346636400 /nfs/dbraw/zinc/63/64/00/346636400.db2.gz JWNGQJKZOFHULC-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN O=[N+]([O-])c1cnc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000514282339 346638136 /nfs/dbraw/zinc/63/81/36/346638136.db2.gz JKAYYEDLYWLPBP-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN COc1ccc([C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000584619928 346695073 /nfs/dbraw/zinc/69/50/73/346695073.db2.gz NISKEYKAJZPUKH-SECBINFHSA-N 0 0 298.553 3.426 10 5 CGBERN CCc1cnc([C@H](C)Nc2ncccc2[N+](=O)[O-])s1 ZINC000134927508 187782620 /nfs/dbraw/zinc/78/26/20/187782620.db2.gz ATLQMRKRHOKIHN-QMMMGPOBSA-N 0 0 278.337 3.182 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301469181 201019818 /nfs/dbraw/zinc/01/98/18/201019818.db2.gz HSOKQOOKJVEMRR-LDYMZIIASA-N 0 0 268.288 3.343 10 5 CGBERN COc1cc(N[C@@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000301794785 201202071 /nfs/dbraw/zinc/20/20/71/201202071.db2.gz STVJXCPVICYLBP-NXEZZACHSA-N 0 0 298.314 3.112 10 5 CGBERN CSN(C)C(=S)Sc1ccccc1[N+](=O)[O-] ZINC000001997972 368443888 /nfs/dbraw/zinc/44/38/88/368443888.db2.gz NYDUHPSZYOMTRJ-UHFFFAOYSA-N 0 0 274.392 3.182 10 5 CGBERN COc1ccc2[nH]c(C(=O)c3ccccc3[N+](=O)[O-])cc2c1 ZINC000013470991 368654882 /nfs/dbraw/zinc/65/48/82/368654882.db2.gz QAPWWYPMDRXNKG-UHFFFAOYSA-N 0 0 296.282 3.316 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014425510 368682220 /nfs/dbraw/zinc/68/22/20/368682220.db2.gz KZDIGPGTAUXOMW-LBPRGKRZSA-N 0 0 284.315 3.394 10 5 CGBERN COc1cccc(CCNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000228722326 189794970 /nfs/dbraw/zinc/79/49/70/189794970.db2.gz OFEQKJFYUSQAAZ-UHFFFAOYSA-N 0 0 290.294 3.397 10 5 CGBERN O=[N+]([O-])c1ccc2ncnc(Nc3cccc(F)c3)c2c1 ZINC000066055050 369687075 /nfs/dbraw/zinc/68/70/75/369687075.db2.gz RLURCBQDECMLIS-UHFFFAOYSA-N 0 0 284.250 3.421 10 5 CGBERN Cc1cccn2cc(-c3ccc([N+](=O)[O-])cc3)nc12 ZINC000068586025 369744815 /nfs/dbraw/zinc/74/48/15/369744815.db2.gz DSGYGAIWLGBHEG-UHFFFAOYSA-N 0 0 253.261 3.218 10 5 CGBERN Cc1nc(-c2ccc([N+](=O)[O-])cc2)ccc1[C@@H](C)O ZINC000072416719 369818222 /nfs/dbraw/zinc/81/82/22/369818222.db2.gz BZNSHVVQPVGDBN-SNVBAGLBSA-N 0 0 258.277 3.019 10 5 CGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000117578734 370595657 /nfs/dbraw/zinc/59/56/57/370595657.db2.gz OENSUNRGCKUMLW-MEBBXXQBSA-N 0 0 298.298 3.098 10 5 CGBERN CC(C)(C)[C@@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290087223 371898493 /nfs/dbraw/zinc/89/84/93/371898493.db2.gz KGEXQUDNJDFGPH-NSHDSACASA-N 0 0 273.716 3.034 10 5 CGBERN O=[N+]([O-])c1ccc(-c2nc(C3CCCC3)no2)c(F)c1 ZINC000171791940 372829267 /nfs/dbraw/zinc/82/92/67/372829267.db2.gz ZYFSJXLFHFHTBA-UHFFFAOYSA-N 0 0 277.255 3.442 10 5 CGBERN CC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301327812 373746894 /nfs/dbraw/zinc/74/68/94/373746894.db2.gz CCJDVIRGXYCSOD-QWRGUYRKSA-N 0 0 291.351 3.074 10 5 CGBERN CC[C@](C)(CCO)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000311753188 374254681 /nfs/dbraw/zinc/25/46/81/374254681.db2.gz DKPKGACAALAPMZ-CYBMUJFWSA-N 0 0 270.304 3.005 10 5 CGBERN CCc1ccc(CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000224504110 376282011 /nfs/dbraw/zinc/28/20/11/376282011.db2.gz PBIHAMHMCGBOKP-UHFFFAOYSA-N 0 0 271.320 3.473 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000227760204 376409468 /nfs/dbraw/zinc/40/94/68/376409468.db2.gz PYZPJZQOZHFTRO-YPMHNXCESA-N 0 0 264.325 3.273 10 5 CGBERN Cc1cnc([C@@H](C)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000235233536 376636191 /nfs/dbraw/zinc/63/61/91/376636191.db2.gz GZIOCTXOPKENCF-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN O=[N+]([O-])c1cc(F)c(OC(F)F)cc1OC(F)(F)F ZINC000575660985 377937221 /nfs/dbraw/zinc/93/72/21/377937221.db2.gz FULAYDUHDDYBSP-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=[N+]([O-])c1cc(F)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575661346 377938386 /nfs/dbraw/zinc/93/83/86/377938386.db2.gz MDEVUPCRZMCNLG-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN Cc1cc(C(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575668049 377945391 /nfs/dbraw/zinc/94/53/91/377945391.db2.gz QHSZPEKHQCUSCA-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN COc1ccc(C(F)(F)F)c(OC(F)F)c1[N+](=O)[O-] ZINC000575667235 377945529 /nfs/dbraw/zinc/94/55/29/377945529.db2.gz OPXMBJBJHMFVDU-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN Cc1cc(OC(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575669141 377946304 /nfs/dbraw/zinc/94/63/04/377946304.db2.gz YVQHNBHIJRVTNS-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN O=Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1OC(F)F ZINC000575668662 377946556 /nfs/dbraw/zinc/94/65/56/377946556.db2.gz WIYRPHJHISQNMK-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=[N+]([O-])c1c(OC(F)F)cc(Cl)cc1OC(F)F ZINC000575678185 377952359 /nfs/dbraw/zinc/95/23/59/377952359.db2.gz XASCGHHJLDOJSV-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN CCc1cc(Br)cc(CC)c1[N+](=O)[O-] ZINC000575680514 377954747 /nfs/dbraw/zinc/95/47/47/377954747.db2.gz LWIBESTZZZLXHK-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN CC(=O)c1cc(C(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575683368 377957697 /nfs/dbraw/zinc/95/76/97/377957697.db2.gz ADMVKOVYQIGUTN-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(C(F)F)c1Br ZINC000575685219 377960244 /nfs/dbraw/zinc/96/02/44/377960244.db2.gz JSCNLXJHPBFJCY-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl ZINC000575694100 377967944 /nfs/dbraw/zinc/96/79/44/377967944.db2.gz IYZZXZUNWCULRU-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN O=[N+]([O-])c1c[nH]c2ncc(C(F)(F)F)c(Cl)c21 ZINC000095936964 285081173 /nfs/dbraw/zinc/08/11/73/285081173.db2.gz VPSJPRMYBKNGOI-UHFFFAOYSA-N 0 0 265.578 3.143 10 5 CGBERN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114202130 285111973 /nfs/dbraw/zinc/11/19/73/285111973.db2.gz WBKCKDQMSSTOPC-OAHLLOKOSA-N 0 0 286.335 3.045 10 5 CGBERN O=[N+]([O-])c1cccnc1N[C@H]1CCc2ccccc21 ZINC000048552969 285166894 /nfs/dbraw/zinc/16/68/94/285166894.db2.gz QFDFEMFTBUMFEX-LBPRGKRZSA-N 0 0 255.277 3.089 10 5 CGBERN O=[N+]([O-])c1cc(F)c(NCCC2=CCOCC2)c(F)c1 ZINC000158129446 392557309 /nfs/dbraw/zinc/55/73/09/392557309.db2.gz WELZPAFJSUFSHR-UHFFFAOYSA-N 0 0 284.262 3.022 10 5 CGBERN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H]2CCC[C@@H]2C1 ZINC000129083922 296497561 /nfs/dbraw/zinc/49/75/61/296497561.db2.gz XCEUOEDCTRBFLG-VXGBXAGGSA-N 0 0 283.331 3.379 10 5 CGBERN CCS[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000078586402 165136085 /nfs/dbraw/zinc/13/60/85/165136085.db2.gz BBZKLBPFUBATFW-UWVGGRQHSA-N 0 0 267.354 3.076 10 5 CGBERN Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091978898 165279382 /nfs/dbraw/zinc/27/93/82/165279382.db2.gz TWCCMBNCWHRKII-HOCLYGCPSA-N 0 0 290.363 3.047 10 5 CGBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000003515158 169893419 /nfs/dbraw/zinc/89/34/19/169893419.db2.gz FBLBJILLEMJSIL-NSHDSACASA-N 0 0 271.272 3.245 10 5 CGBERN CC(C)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004746305 170010853 /nfs/dbraw/zinc/01/08/53/170010853.db2.gz RNHDTNQRNZPMIC-UHFFFAOYSA-N 0 0 276.214 3.208 10 5 CGBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000005869777 170148947 /nfs/dbraw/zinc/14/89/47/170148947.db2.gz UMFKSGMJHJZIHL-LLVKDONJSA-N 0 0 286.287 3.001 10 5 CGBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2CO)cc1 ZINC000020468525 171210246 /nfs/dbraw/zinc/21/02/46/171210246.db2.gz QOSZELAMUUFHLR-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN COc1cccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c12 ZINC000027554837 171521128 /nfs/dbraw/zinc/52/11/28/171521128.db2.gz ZTOFAHKDMYDWQZ-UHFFFAOYSA-N 0 0 297.266 3.377 10 5 CGBERN CC[C@@H](C)SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035182663 172036033 /nfs/dbraw/zinc/03/60/33/172036033.db2.gz NUDJSHUPPSRZGN-SECBINFHSA-N 0 0 253.323 3.309 10 5 CGBERN CCOC(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000035333388 172131600 /nfs/dbraw/zinc/13/16/00/172131600.db2.gz SHBDHFAADUABST-UHFFFAOYSA-N 0 0 264.064 3.078 10 5 CGBERN O=C(CC(F)(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000037222451 173043287 /nfs/dbraw/zinc/04/32/87/173043287.db2.gz HGFRQLHWXLAKID-UHFFFAOYSA-N 0 0 272.182 3.211 10 5 CGBERN Cc1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc1C ZINC000040571569 174338414 /nfs/dbraw/zinc/33/84/14/174338414.db2.gz YSQSCTKAMGYSJZ-UHFFFAOYSA-N 0 0 279.683 3.447 10 5 CGBERN CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040596625 174349467 /nfs/dbraw/zinc/34/94/67/174349467.db2.gz ILGKITZWYLTNMS-UHFFFAOYSA-N 0 0 288.307 3.226 10 5 CGBERN C[C@H](Cc1cccs1)Nc1cc([N+](=O)[O-])ccn1 ZINC000071271138 176104377 /nfs/dbraw/zinc/10/43/77/176104377.db2.gz HIIUGRWAQAFNRJ-SECBINFHSA-N 0 0 263.322 3.094 10 5 CGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000075559686 176731274 /nfs/dbraw/zinc/73/12/74/176731274.db2.gz YBJAKZVZTKDCTQ-PELKAZGASA-N 0 0 282.727 3.167 10 5 CGBERN Cc1cc(N[C@H]2CCOc3ccccc32)ncc1[N+](=O)[O-] ZINC000081275280 280632910 /nfs/dbraw/zinc/63/29/10/280632910.db2.gz XGCAZLMFZQVCEI-LBPRGKRZSA-N 0 0 285.303 3.234 10 5 CGBERN Cc1ccccc1-c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000091366459 281327276 /nfs/dbraw/zinc/32/72/76/281327276.db2.gz SJRPYBYMNRHCHI-UHFFFAOYSA-N 0 0 253.261 3.447 10 5 CGBERN Cc1nc(-c2ccc(Br)cc2)c([N+](=O)[O-])o1 ZINC000003645483 293138628 /nfs/dbraw/zinc/13/86/28/293138628.db2.gz FZEZSAYAMCCVHV-UHFFFAOYSA-N 0 0 283.081 3.321 10 5 CGBERN CNc1ccc(CSc2ccccn2)cc1[N+](=O)[O-] ZINC000050834160 522612785 /nfs/dbraw/zinc/61/27/85/522612785.db2.gz RINOHWNDBDJDMY-UHFFFAOYSA-N 0 0 275.333 3.324 10 5 CGBERN CC[C@H](C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054472029 523883613 /nfs/dbraw/zinc/88/36/13/523883613.db2.gz DGRRLICFVPTMBO-QMMMGPOBSA-N 0 0 270.716 3.024 10 5 CGBERN Cc1ccc([C@@H](C)Nc2ncnc(Cl)c2[N+](=O)[O-])o1 ZINC000050455444 525753636 /nfs/dbraw/zinc/75/36/36/525753636.db2.gz KOFVKRRYTSKNLQ-SSDOTTSWSA-N 0 0 282.687 3.113 10 5 CGBERN CS[C@@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809048 525784070 /nfs/dbraw/zinc/78/40/70/525784070.db2.gz NTRPZBIUOHSFIG-ZJUUUORDSA-N 0 0 283.349 3.259 10 5 CGBERN Cc1ccsc1[C@@H](O)Cc1ccccc1[N+](=O)[O-] ZINC000062138733 525874106 /nfs/dbraw/zinc/87/41/06/525874106.db2.gz FMQOYGFXLXXZIK-LBPRGKRZSA-N 0 0 263.318 3.241 10 5 CGBERN Cc1cnc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])o1 ZINC000226547327 526131982 /nfs/dbraw/zinc/13/19/82/526131982.db2.gz RMKGOGYWQAXUAL-SSDOTTSWSA-N 0 0 282.687 3.113 10 5 CGBERN CCCCOC[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000193385353 528627564 /nfs/dbraw/zinc/62/75/64/528627564.db2.gz STYGFTPRLCJJRG-AWEZNQCLSA-N 0 0 299.392 3.006 10 5 CGBERN CC[C@@H](C)N(C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176697360 529339832 /nfs/dbraw/zinc/33/98/32/529339832.db2.gz ROHSFAHRAYMSBN-BXUZGUMPSA-N 0 0 293.367 3.486 10 5 CGBERN Cc1cnc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])o1 ZINC000235217596 618663684 /nfs/dbraw/zinc/66/36/84/618663684.db2.gz OTOBXXAMVWMXFZ-MRVPVSSYSA-N 0 0 265.244 3.203 10 5 CGBERN C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccs1 ZINC000051928957 618668652 /nfs/dbraw/zinc/66/86/52/618668652.db2.gz JLAQLFAAIUQTAE-MRVPVSSYSA-N 0 0 292.316 3.157 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000125208995 634655729 /nfs/dbraw/zinc/65/57/29/634655729.db2.gz MLKAHUMHBCLTIJ-GZMMTYOYSA-N 0 0 299.710 3.030 10 5 CGBERN CCC=C(C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000588468721 799698503 /nfs/dbraw/zinc/69/85/03/799698503.db2.gz GQUMZXBLNZYEKQ-YHYXMXQVSA-N 0 0 299.330 3.168 10 5 CGBERN O=c1oc2cc(-c3ccccc3)nnc2c2ccccc12 ZINC000039243388 344958727 /nfs/dbraw/zinc/95/87/27/344958727.db2.gz ZYZWZUMXSYBVJV-UHFFFAOYSA-N 0 0 274.279 3.403 10 5 CGBERN O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000072236644 345406927 /nfs/dbraw/zinc/40/69/27/345406927.db2.gz FOQWUIYWABJNTL-UHFFFAOYSA-N 0 0 298.277 3.110 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@H]3CC=CC[C@@H]3C2)c1 ZINC000080649596 345681417 /nfs/dbraw/zinc/68/14/17/345681417.db2.gz KBXHXQMMKOUUGS-GHMZBOCLSA-N 0 0 292.310 3.145 10 5 CGBERN O=C(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000136583606 346091822 /nfs/dbraw/zinc/09/18/22/346091822.db2.gz YWQLVECBARBVHI-UHFFFAOYSA-N 0 0 255.273 3.410 10 5 CGBERN O=[N+]([O-])c1cc(Cl)c(-n2cccn2)c(Cl)c1 ZINC000142724526 346111946 /nfs/dbraw/zinc/11/19/46/346111946.db2.gz KIMOAFDJSCAOGV-UHFFFAOYSA-N 0 0 258.064 3.087 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(Br)c1Cl ZINC000238530273 346349742 /nfs/dbraw/zinc/34/97/42/346349742.db2.gz HUXCSBSKSYIRDN-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN CSc1c(F)ccc([N+](=O)[O-])c1Br ZINC000306309618 346453359 /nfs/dbraw/zinc/45/33/59/346453359.db2.gz PLBAVYQANKAJRE-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN Cc1ccc(Cl)c([N+](=O)[O-])c1Br ZINC000306645916 346456288 /nfs/dbraw/zinc/45/62/88/346456288.db2.gz FZQNUVXPODGQKX-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN CSc1c(Br)cc(C)cc1[N+](=O)[O-] ZINC000307464928 346463062 /nfs/dbraw/zinc/46/30/62/346463062.db2.gz CSKVZRODSRIPOQ-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(C(F)(F)F)c1CO ZINC000514282050 346637995 /nfs/dbraw/zinc/63/79/95/346637995.db2.gz TUJHZFZBRFTTKR-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ncc(-c3ccccc3)cn2)o1 ZINC000584649940 346704542 /nfs/dbraw/zinc/70/45/42/346704542.db2.gz DDSSITPIAMTILB-UHFFFAOYSA-N 0 0 267.244 3.312 10 5 CGBERN CC(C)(OC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584601116 346689641 /nfs/dbraw/zinc/68/96/41/346689641.db2.gz QPSZYYVKWFPRLB-UHFFFAOYSA-N 0 0 292.213 3.484 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301468796 201020080 /nfs/dbraw/zinc/02/00/80/201020080.db2.gz ZNERRJADZVRZJR-AAEUAGOBSA-N 0 0 262.309 3.398 10 5 CGBERN CC1(C)CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022639 201304667 /nfs/dbraw/zinc/30/46/67/201304667.db2.gz GHWQEQZAYJHHGD-UHFFFAOYSA-N 0 0 278.352 3.468 10 5 CGBERN O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccccc21 ZINC000013554105 368657415 /nfs/dbraw/zinc/65/74/15/368657415.db2.gz IUWAGZUDXHNNFN-UHFFFAOYSA-N 0 0 286.290 3.358 10 5 CGBERN O=Cc1ccc(Oc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000034936671 368980043 /nfs/dbraw/zinc/98/00/43/368980043.db2.gz KZNUZOLXTCGPPB-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN CC(C)N(Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000095088083 370172711 /nfs/dbraw/zinc/17/27/11/370172711.db2.gz GZIABUWPGDWRGM-UHFFFAOYSA-N 0 0 262.231 3.325 10 5 CGBERN Cc1cc(N[C@@H](C)[C@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000290886437 372069676 /nfs/dbraw/zinc/06/96/76/372069676.db2.gz CIXJFAXCPBXTBS-TVQRCGJNSA-N 0 0 268.288 3.022 10 5 CGBERN Cc1cc(N[C@H](C)[C@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000290886434 372070161 /nfs/dbraw/zinc/07/01/61/372070161.db2.gz CIXJFAXCPBXTBS-NOZJJQNGSA-N 0 0 268.288 3.022 10 5 CGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000172241278 372931753 /nfs/dbraw/zinc/93/17/53/372931753.db2.gz CUZZPFZVUWEBAL-SNVBAGLBSA-N 0 0 292.316 3.227 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCC[C@@H](O)C1 ZINC000302829003 373979631 /nfs/dbraw/zinc/97/96/31/373979631.db2.gz OTVNLQOOWRWNEF-GXSJLCMTSA-N 0 0 284.743 3.272 10 5 CGBERN CSc1ccc(F)c([N+](=O)[O-])c1Br ZINC000307264172 374145661 /nfs/dbraw/zinc/14/56/61/374145661.db2.gz BIFMSOVUWYRJGS-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000246426482 377027915 /nfs/dbraw/zinc/02/79/15/377027915.db2.gz SKUNWXZQNAIKEI-JFGNBEQYSA-N 0 0 294.376 3.450 10 5 CGBERN CC(C)(C)[C@H](O)CSc1cccc([N+](=O)[O-])c1 ZINC000313487380 249091993 /nfs/dbraw/zinc/09/19/93/249091993.db2.gz YRZUPCJUIJIOBR-LLVKDONJSA-N 0 0 255.339 3.094 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)cc(F)c1OC(F)F ZINC000575661627 377938809 /nfs/dbraw/zinc/93/88/09/377938809.db2.gz QPYXSEHVMHWHOI-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CC(=O)c1cc(OC(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575665384 377942142 /nfs/dbraw/zinc/94/21/42/377942142.db2.gz DKWBFJCHFKSHSB-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN CCOc1cc(C(F)F)c(C(C)=O)c([N+](=O)[O-])c1 ZINC000575666906 377944149 /nfs/dbraw/zinc/94/41/49/377944149.db2.gz NQIDFRBQPQEPOC-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN CCOc1cc(C(C)=O)c([N+](=O)[O-])cc1C(F)F ZINC000575666832 377944413 /nfs/dbraw/zinc/94/44/13/377944413.db2.gz MVGNVEQZVVHLIT-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(Cl)c(OC(F)F)c1 ZINC000575674089 377949302 /nfs/dbraw/zinc/94/93/02/377949302.db2.gz CQKSEVHEKRPMBE-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN CC(=O)c1cc(Cl)cc(Br)c1[N+](=O)[O-] ZINC000575677384 377951961 /nfs/dbraw/zinc/95/19/61/377951961.db2.gz KXGWJQOBOQDLJV-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CC(=O)c1c(C)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575679466 377952855 /nfs/dbraw/zinc/95/28/55/377952855.db2.gz SYZWIHMOFRQDHY-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(C(F)(F)F)cc1F ZINC000575698013 377970715 /nfs/dbraw/zinc/97/07/15/377970715.db2.gz XPJNCAXZFGWYGY-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(C)=O ZINC000575702790 377975992 /nfs/dbraw/zinc/97/59/92/377975992.db2.gz HIIANJCNGJRJFL-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN COC(=O)c1c([N+](=O)[O-])ccc(Cl)c1C(F)(F)F ZINC000575712740 377981325 /nfs/dbraw/zinc/98/13/25/377981325.db2.gz LFJHHZJNYJTPFK-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000000486581 169654610 /nfs/dbraw/zinc/65/46/10/169654610.db2.gz STOFIOQXIPQYCZ-UHFFFAOYSA-N 0 0 277.663 3.467 10 5 CGBERN Cc1cc(N2CCC[C@@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC000301521657 291934425 /nfs/dbraw/zinc/93/44/25/291934425.db2.gz LMHKQBMUSZCSCR-QWHCGFSZSA-N 0 0 275.352 3.457 10 5 CGBERN Cc1ccc(-c2cc([N+](=O)[O-])cc(-c3ccccn3)n2)nc1 ZINC000035654099 391974254 /nfs/dbraw/zinc/97/42/54/391974254.db2.gz CMHMHIQQUZIFAG-UHFFFAOYSA-N 0 0 292.298 3.422 10 5 CGBERN Cc1cc(N2CCC[C@H]3CCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC000301521656 392593811 /nfs/dbraw/zinc/59/38/11/392593811.db2.gz LMHKQBMUSZCSCR-OLZOCXBDSA-N 0 0 275.352 3.457 10 5 CGBERN CCN(CC)Cc1cc([N+](=O)[O-])ccc1Br ZINC000675056755 543311712 /nfs/dbraw/zinc/31/17/12/543311712.db2.gz WPJBXCNFKXICQS-UHFFFAOYSA-N 0 0 287.157 3.199 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000119585077 287171376 /nfs/dbraw/zinc/17/13/76/287171376.db2.gz ZQQVFPRMPGXZIK-SECBINFHSA-N 0 0 292.266 3.126 10 5 CGBERN O=[N+]([O-])C[C@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000005800087 170141766 /nfs/dbraw/zinc/14/17/66/170141766.db2.gz INULANLUBGREJN-ZDUSSCGKSA-N 0 0 287.275 3.025 10 5 CGBERN CCC(CC)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005917652 170155482 /nfs/dbraw/zinc/15/54/82/170155482.db2.gz KYAJLCABRQCEDZ-UHFFFAOYSA-N 0 0 250.298 3.278 10 5 CGBERN Nc1cc(SCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000005936784 170158515 /nfs/dbraw/zinc/15/85/15/170158515.db2.gz SPWKGSZCMBCYDP-UHFFFAOYSA-N 0 0 260.318 3.469 10 5 CGBERN C[C@@H](Nc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000035019069 171937214 /nfs/dbraw/zinc/93/72/14/171937214.db2.gz LCAABYXKFLHXAX-LLVKDONJSA-N 0 0 272.304 3.260 10 5 CGBERN Nc1ccc(SCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000035308307 172121723 /nfs/dbraw/zinc/12/17/23/172121723.db2.gz LCAXQVOJGMSAHE-UHFFFAOYSA-N 0 0 279.296 3.003 10 5 CGBERN CCC[C@@H](C)CNc1ccc([N+](=O)[O-])cc1OC ZINC000037061872 172925544 /nfs/dbraw/zinc/92/55/44/172925544.db2.gz DLEQCWDIPDPZJA-SNVBAGLBSA-N 0 0 252.314 3.452 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2cc(F)ccc2F)o1 ZINC000037198348 173024792 /nfs/dbraw/zinc/02/47/92/173024792.db2.gz BNFXBKBUJRYAKZ-UHFFFAOYSA-N 0 0 254.192 3.078 10 5 CGBERN O=[N+]([O-])c1ccccc1CNc1cccc(Cl)n1 ZINC000038276913 174138398 /nfs/dbraw/zinc/13/83/98/174138398.db2.gz PJGJDOCIJCHVQX-UHFFFAOYSA-N 0 0 263.684 3.255 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(F)c(F)c1 ZINC000040571529 174338413 /nfs/dbraw/zinc/33/84/13/174338413.db2.gz HZFFTEFEBSNWAI-UHFFFAOYSA-N 0 0 286.625 3.060 10 5 CGBERN CCNc1ncnc(Nc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040587217 174345488 /nfs/dbraw/zinc/34/54/88/174345488.db2.gz RQEVQJZZBOWYFQ-UHFFFAOYSA-N 0 0 287.323 3.123 10 5 CGBERN Cc1cc(N[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000070198955 175881875 /nfs/dbraw/zinc/88/18/75/175881875.db2.gz RAJAFLBIWZZTRC-ZDUSSCGKSA-N 0 0 270.288 3.449 10 5 CGBERN CNc1nc(Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000072260963 176351889 /nfs/dbraw/zinc/35/18/89/176351889.db2.gz DVRAZPSECOXVRS-UHFFFAOYSA-N 0 0 295.302 3.323 10 5 CGBERN Cc1ccccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377459 270045623 /nfs/dbraw/zinc/04/56/23/270045623.db2.gz QAULZZLKUHBTRH-GFCCVEGCSA-N 0 0 296.326 3.495 10 5 CGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(C)C ZINC000185011628 270061600 /nfs/dbraw/zinc/06/16/00/270061600.db2.gz YOPGGWLPCXXBKL-JSGCOSHPSA-N 0 0 292.379 3.324 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301474605 280662433 /nfs/dbraw/zinc/66/24/33/280662433.db2.gz NCHDFLQFRUXDLJ-CHWSQXEVSA-N 0 0 258.321 3.306 10 5 CGBERN O=[N+]([O-])c1cc(N=S2(=O)CCCC2)ccc1Cl ZINC000536958061 330383680 /nfs/dbraw/zinc/38/36/80/330383680.db2.gz UADRZVUZVARHEX-UHFFFAOYSA-N 0 0 274.729 3.142 10 5 CGBERN Cc1cc(OC[C@@H](O)C(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000382164527 336083503 /nfs/dbraw/zinc/08/35/03/336083503.db2.gz DHJJRZKTLIPUDS-GFCCVEGCSA-N 0 0 287.743 3.342 10 5 CGBERN Cc1c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000163009165 533765494 /nfs/dbraw/zinc/76/54/94/533765494.db2.gz HORSYBILSKWUSR-NWDGAFQWSA-N 0 0 290.363 3.411 10 5 CGBERN CNc1ccc(CSc2ccc([N+](=O)[O-])cc2)cn1 ZINC000050838144 522612962 /nfs/dbraw/zinc/61/29/62/522612962.db2.gz QXAKDMFPVCHAPK-UHFFFAOYSA-N 0 0 275.333 3.324 10 5 CGBERN COc1ccccc1Sc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050456087 524710362 /nfs/dbraw/zinc/71/03/62/524710362.db2.gz ZGSCNVOIDBDEBE-UHFFFAOYSA-N 0 0 297.723 3.198 10 5 CGBERN C[C@@]1(CNc2cc(F)ccc2[N+](=O)[O-])CCCS1 ZINC000155766971 525852029 /nfs/dbraw/zinc/85/20/29/525852029.db2.gz DAEGFEFXVWOIRN-LBPRGKRZSA-N 0 0 270.329 3.432 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc[nH]1 ZINC000051788459 527355624 /nfs/dbraw/zinc/35/56/24/527355624.db2.gz IEVKZFICQPDJFW-UHFFFAOYSA-N 0 0 251.673 3.188 10 5 CGBERN Cc1cnn(CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000235955661 618833852 /nfs/dbraw/zinc/83/38/52/618833852.db2.gz RQVSERUFMRAAGY-UHFFFAOYSA-N 0 0 298.705 3.004 10 5 CGBERN COc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000105997237 636064053 /nfs/dbraw/zinc/06/40/53/636064053.db2.gz UHDOJEZCLNDNTG-UHFFFAOYSA-N 0 0 277.251 3.322 10 5 CGBERN COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@+](C)([O-])CC3 ZINC000248098732 717164237 /nfs/dbraw/zinc/16/42/37/717164237.db2.gz ZIZQARJISFQDMO-JCHJZTRSSA-N 0 0 287.403 3.396 10 5 CGBERN CCCN(CCC)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005708000 344863014 /nfs/dbraw/zinc/86/30/14/344863014.db2.gz VBQFTMYWIDJTBL-UHFFFAOYSA-N 0 0 283.303 3.388 10 5 CGBERN O=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000038125872 344954710 /nfs/dbraw/zinc/95/47/10/344954710.db2.gz LHPJZIQUTHJSBB-UHFFFAOYSA-N 0 0 259.236 3.159 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1COC ZINC000080653428 345682242 /nfs/dbraw/zinc/68/22/42/345682242.db2.gz GQZUMMJENKJPCS-IINYFYTJSA-N 0 0 264.325 3.342 10 5 CGBERN CC[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090467487 345788896 /nfs/dbraw/zinc/78/88/96/345788896.db2.gz KOXPPXKTPWDGPK-KKUMJFAQSA-N 0 0 288.347 3.208 10 5 CGBERN O=C1CCc2cc(-c3cccc([N+](=O)[O-])c3)ccc21 ZINC000135815328 346088381 /nfs/dbraw/zinc/08/83/81/346088381.db2.gz LCNIZMPROCRWBK-UHFFFAOYSA-N 0 0 253.257 3.391 10 5 CGBERN CC(=O)Nc1ccc(CC(C)(C)C)cc1[N+](=O)[O-] ZINC000143684960 346114975 /nfs/dbraw/zinc/11/49/75/346114975.db2.gz CKXHIJWEXAHIDQ-UHFFFAOYSA-N 0 0 250.298 3.142 10 5 CGBERN CCC1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172750120 346230103 /nfs/dbraw/zinc/23/01/03/346230103.db2.gz HDDVXJAJTYDGLN-UHFFFAOYSA-N 0 0 290.363 3.222 10 5 CGBERN COc1ccc([N+](=O)[O-])c(Nc2cc(F)cc(F)c2)n1 ZINC000208355989 346284634 /nfs/dbraw/zinc/28/46/34/346284634.db2.gz APQDPAWKMHLFFL-UHFFFAOYSA-N 0 0 281.218 3.020 10 5 CGBERN Cc1c(F)c([N+](=O)[O-])c(F)c(F)c1Br ZINC000221254944 346297753 /nfs/dbraw/zinc/29/77/53/346297753.db2.gz KXWYLFTUKCPKCX-UHFFFAOYSA-N 0 0 270.004 3.083 10 5 CGBERN O=[N+]([O-])c1cccc(Br)c1C(F)F ZINC000238543711 346349837 /nfs/dbraw/zinc/34/98/37/346349837.db2.gz AXCVJURTKGSHLC-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN O=[N+]([O-])c1cc(I)ccc1C(F)F ZINC000238700607 346350259 /nfs/dbraw/zinc/35/02/59/346350259.db2.gz DRVLYKSWRCWIMO-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN O=[N+]([O-])c1ccccc1SC(=S)N1CCCCC1 ZINC000584642421 346702791 /nfs/dbraw/zinc/70/27/91/346702791.db2.gz SPRHSDIJJZATPV-UHFFFAOYSA-N 0 0 282.390 3.458 10 5 CGBERN CCCCC[C@@H]([N+](=O)[O-])C(C)(C)CC(=O)OCC ZINC000584650070 346704420 /nfs/dbraw/zinc/70/44/20/346704420.db2.gz RQRYJRKURDBAIY-LLVKDONJSA-N 0 0 259.346 3.191 10 5 CGBERN CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])c1F ZINC000584658139 346705644 /nfs/dbraw/zinc/70/56/44/346705644.db2.gz HLVLWSJNZBLEDE-UHFFFAOYSA-N 0 0 256.233 3.081 10 5 CGBERN CC(C)(C)OC(=O)N1CC[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000584616745 346693695 /nfs/dbraw/zinc/69/36/95/346693695.db2.gz XMFRLACPZULXTO-GFCCVEGCSA-N 0 0 292.335 3.147 10 5 CGBERN OCCn1nc2c3c1cc(O)cc3sc1ccccc21 ZINC000584625589 346697049 /nfs/dbraw/zinc/69/70/49/346697049.db2.gz SHDCRNKDGVVWDN-UHFFFAOYSA-N 0 0 284.340 3.102 10 5 CGBERN Cc1cc(N[C@@H](C)[C@@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000290886439 197849545 /nfs/dbraw/zinc/84/95/45/197849545.db2.gz CIXJFAXCPBXTBS-ZANVPECISA-N 0 0 268.288 3.022 10 5 CGBERN C[C@@H]1C[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000359930645 233396873 /nfs/dbraw/zinc/39/68/73/233396873.db2.gz FFGMBSXJICTSRA-JGPRNRPPSA-N 0 0 282.315 3.349 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301765768 201183511 /nfs/dbraw/zinc/18/35/11/201183511.db2.gz HVGMXXYHEHSYQP-SCZZXKLOSA-N 0 0 285.731 3.013 10 5 CGBERN C[C@H](c1ccccn1)N(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302826071 201568273 /nfs/dbraw/zinc/56/82/73/201568273.db2.gz ZZBSQHPDIHREKG-SNVBAGLBSA-N 0 0 275.283 3.326 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1N(Cc1ccccn1)C1CC1 ZINC000302845866 201575153 /nfs/dbraw/zinc/57/51/53/201575153.db2.gz GMDPWYHDVVITDJ-UHFFFAOYSA-N 0 0 287.294 3.298 10 5 CGBERN c1ccc2c(c1)ccc1c2ccnc1N1CCOCC1 ZINC000013797065 368667656 /nfs/dbraw/zinc/66/76/56/368667656.db2.gz LWEHXNPEXMDIRY-UHFFFAOYSA-N 0 0 264.328 3.225 10 5 CGBERN Cc1ccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)nc-2[nH]1 ZINC000013579539 368657347 /nfs/dbraw/zinc/65/73/47/368657347.db2.gz MGONMXNIZCTIPU-UHFFFAOYSA-N 0 0 281.271 3.219 10 5 CGBERN Cn1c(/C=C/c2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000040973037 369167417 /nfs/dbraw/zinc/16/74/17/369167417.db2.gz FPANSVXJIMZHOG-AATRIKPKSA-N 0 0 263.684 3.152 10 5 CGBERN COc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000052119177 369464895 /nfs/dbraw/zinc/46/48/95/369464895.db2.gz DWVYBDSOYGDRIH-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000172241273 372930988 /nfs/dbraw/zinc/93/09/88/372930988.db2.gz CUZZPFZVUWEBAL-JTQLQIEISA-N 0 0 292.316 3.227 10 5 CGBERN CCc1nc(CNc2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000302788175 373964049 /nfs/dbraw/zinc/96/40/49/373964049.db2.gz BWMYXNVVGFSVSX-UHFFFAOYSA-N 0 0 281.312 3.365 10 5 CGBERN CN(CCC(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000302825761 373977433 /nfs/dbraw/zinc/97/74/33/373977433.db2.gz ZESXHFFSTWOIFD-UHFFFAOYSA-N 0 0 266.194 3.123 10 5 CGBERN Cc1cnc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)o1 ZINC000230645281 376522935 /nfs/dbraw/zinc/52/29/35/376522935.db2.gz VWVNALQDHAUFMS-NSHDSACASA-N 0 0 275.308 3.050 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000231662498 376562867 /nfs/dbraw/zinc/56/28/67/376562867.db2.gz BXOWMYRKPDXHDI-KCJUWKMLSA-N 0 0 265.269 3.104 10 5 CGBERN Cc1cnc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000230646674 376525581 /nfs/dbraw/zinc/52/55/81/376525581.db2.gz CTNUQLGFRFURJV-VIFPVBQESA-N 0 0 295.726 3.395 10 5 CGBERN CCOC[C@H](Nc1cccc(C)c1[N+](=O)[O-])C(C)C ZINC000233799154 376602202 /nfs/dbraw/zinc/60/22/02/376602202.db2.gz VMTAYHUXDCWPFP-ZDUSSCGKSA-N 0 0 266.341 3.376 10 5 CGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCC[C@@H]12 ZINC000248437322 377320070 /nfs/dbraw/zinc/32/00/70/377320070.db2.gz SMRUTVHPQRNWRZ-VWYCJHECSA-N 0 0 294.376 3.307 10 5 CGBERN COC(=O)CCc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000256047533 377792003 /nfs/dbraw/zinc/79/20/03/377792003.db2.gz MZLWLPAFHIDGHQ-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN O=[N+]([O-])c1c(OC(F)(F)F)cccc1C(F)F ZINC000575345587 377885464 /nfs/dbraw/zinc/88/54/64/377885464.db2.gz CIZYQIFLSGAFGQ-UHFFFAOYSA-N 0 0 257.114 3.431 10 5 CGBERN COc1ccc(C(F)(F)F)c([N+](=O)[O-])c1OC(F)F ZINC000575665491 377942200 /nfs/dbraw/zinc/94/22/00/377942200.db2.gz FYKDIUXNAPKPCJ-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575666144 377943433 /nfs/dbraw/zinc/94/34/33/377943433.db2.gz ISGMJVYJGUEUTN-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=Cc1ccc(OC(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575667697 377945225 /nfs/dbraw/zinc/94/52/25/377945225.db2.gz QLWSVURBAYETLA-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(C(F)F)c1C(C)=O ZINC000575668352 377946320 /nfs/dbraw/zinc/94/63/20/377946320.db2.gz VUYREJYKARBZAR-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1C(F)F ZINC000575672301 377948872 /nfs/dbraw/zinc/94/88/72/377948872.db2.gz XQCYEMRHRUCRSJ-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN CC(=O)c1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000575677345 377952100 /nfs/dbraw/zinc/95/21/00/377952100.db2.gz KGCSYNIMYNJGTO-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CCOC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000575396762 377904057 /nfs/dbraw/zinc/90/40/57/377904057.db2.gz XAVMOORZXMEDNL-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN O=[N+]([O-])c1ccc([C@@H]2O[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000039190625 285138719 /nfs/dbraw/zinc/13/87/19/285138719.db2.gz HKSKCULSKYLVQZ-KBPBESRZSA-N 0 0 286.243 3.316 10 5 CGBERN CC[C@@H]1CCCCN1c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631624 134800460 /nfs/dbraw/zinc/80/04/60/134800460.db2.gz RFYVPXPYZSQNLG-DGCLKSJQSA-N 0 0 278.352 3.417 10 5 CGBERN CCCN(C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000675056222 543311519 /nfs/dbraw/zinc/31/15/19/543311519.db2.gz FKQCAAMVRNVUEC-UHFFFAOYSA-N 0 0 287.157 3.199 10 5 CGBERN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005062727 170062489 /nfs/dbraw/zinc/06/24/89/170062489.db2.gz YYBPIMKCVYDOIW-RWPGPIAYSA-N 0 0 288.347 3.303 10 5 CGBERN C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC000006061381 170173064 /nfs/dbraw/zinc/17/30/64/170173064.db2.gz QYMWSHNJKSPPLG-SNVBAGLBSA-N 0 0 289.262 3.384 10 5 CGBERN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCC1 ZINC000006335415 170193009 /nfs/dbraw/zinc/19/30/09/170193009.db2.gz HLFXQKXAUWWWNI-UHFFFAOYSA-N 0 0 291.332 3.333 10 5 CGBERN C[C@@H]1CCC[C@H](Oc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000020517221 171232718 /nfs/dbraw/zinc/23/27/18/171232718.db2.gz VFEXCEYDUISWEL-PWSUYJOCSA-N 0 0 263.293 3.365 10 5 CGBERN COc1ccc(NCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000021051899 171295198 /nfs/dbraw/zinc/29/51/98/171295198.db2.gz RCDHSLQWXNQXND-UHFFFAOYSA-N 0 0 288.303 3.224 10 5 CGBERN O=Cc1ccc(Oc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000035128065 171997580 /nfs/dbraw/zinc/99/75/80/171997580.db2.gz IVISVMPSTZZPBY-UHFFFAOYSA-N 0 0 279.198 3.478 10 5 CGBERN C[C@H](O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1 ZINC000035626315 172305661 /nfs/dbraw/zinc/30/56/61/172305661.db2.gz FQYSKTZIGXJNHA-NSHDSACASA-N 0 0 273.288 3.227 10 5 CGBERN C[C@@H](O)c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000035631210 172312871 /nfs/dbraw/zinc/31/28/71/172312871.db2.gz QCJDUFBHZCCFHU-GFCCVEGCSA-N 0 0 286.331 3.285 10 5 CGBERN Cc1ccc([C@H](C)Nc2nc3sccn3c2[N+](=O)[O-])o1 ZINC000037978401 173936207 /nfs/dbraw/zinc/93/62/07/173936207.db2.gz HXDQDHLXVQDAJB-QMMMGPOBSA-N 0 0 292.320 3.379 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1Oc1ccc(Cl)nn1 ZINC000038082470 174091168 /nfs/dbraw/zinc/09/11/68/174091168.db2.gz CAHFMXVJSXNXDA-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN CC(C)Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040597549 174349283 /nfs/dbraw/zinc/34/92/83/174349283.db2.gz SHRKICUYSIXQJJ-UHFFFAOYSA-N 0 0 291.286 3.088 10 5 CGBERN CCOc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040659631 174365924 /nfs/dbraw/zinc/36/59/24/174365924.db2.gz SWLQPZLOJFKHAR-UHFFFAOYSA-N 0 0 289.291 3.193 10 5 CGBERN C/C(=C/c1ccc(C(C)C)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000042905612 174907906 /nfs/dbraw/zinc/90/79/06/174907906.db2.gz CZIZKLHXRKCEAA-TWGQIWQCSA-N 0 0 250.254 3.356 10 5 CGBERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000246576991 287712229 /nfs/dbraw/zinc/71/22/29/287712229.db2.gz ASBAKONNSOIXND-OUAUKWLOSA-N 0 0 294.376 3.450 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000103365586 525561856 /nfs/dbraw/zinc/56/18/56/525561856.db2.gz MTWDWKFUNKSGAS-VXGBXAGGSA-N 0 0 276.336 3.306 10 5 CGBERN O=[N+]([O-])c1ccc([C@@H](O)Cc2ccc(Cl)cc2)o1 ZINC000062140698 527376576 /nfs/dbraw/zinc/37/65/76/527376576.db2.gz MTKGDBPQFMYCST-JTQLQIEISA-N 0 0 267.668 3.117 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1/C=C1/C(=O)Oc2ccccc21 ZINC000588450043 799695749 /nfs/dbraw/zinc/69/57/49/799695749.db2.gz IGRBLTVSOWFDHV-NTEUORMPSA-N 0 0 281.267 3.363 10 5 CGBERN O=[N+]([O-])c1ccc(OCc2cccc(Cl)c2)c(CO)c1 ZINC000035414989 344942094 /nfs/dbraw/zinc/94/20/94/344942094.db2.gz HYRWMZNMHRPKRE-UHFFFAOYSA-N 0 0 293.706 3.320 10 5 CGBERN COc1ccc(COc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000054268938 345130812 /nfs/dbraw/zinc/13/08/12/345130812.db2.gz KCMHMMCBAULVRF-UHFFFAOYSA-N 0 0 277.251 3.322 10 5 CGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078371080 345604790 /nfs/dbraw/zinc/60/47/90/345604790.db2.gz FZPSAGXMGPSJLG-QWRGUYRKSA-N 0 0 262.284 3.136 10 5 CGBERN Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000158583116 232238250 /nfs/dbraw/zinc/23/82/50/232238250.db2.gz OQJDUMWBFKBDDZ-NEPJUHHUSA-N 0 0 290.363 3.411 10 5 CGBERN Cc1cc(N2CCO[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092666182 345851343 /nfs/dbraw/zinc/85/13/43/345851343.db2.gz KDLBVEJPHIFJBD-LSDHHAIUSA-N 0 0 276.336 3.051 10 5 CGBERN COc1cc(C)c2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061906 345910158 /nfs/dbraw/zinc/91/01/58/345910158.db2.gz XXGKSQWHELBJTF-UHFFFAOYSA-N 0 0 252.657 3.113 10 5 CGBERN O=[N+]([O-])C[C@H]1c2ccccc2CCN1c1ccccc1 ZINC000140881030 346106944 /nfs/dbraw/zinc/10/69/44/346106944.db2.gz TVODRIXOOCQSAS-INIZCTEOSA-N 0 0 268.316 3.067 10 5 CGBERN COc1ccccc1NC(=S)c1ccc([N+](=O)[O-])cc1 ZINC000141168238 346107484 /nfs/dbraw/zinc/10/74/84/346107484.db2.gz WHLGYEZOJLEBQA-UHFFFAOYSA-N 0 0 288.328 3.391 10 5 CGBERN CC(=O)c1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(F)cn21 ZINC000230449549 346321151 /nfs/dbraw/zinc/32/11/51/346321151.db2.gz DTXHJLIENRFHMP-UHFFFAOYSA-N 0 0 299.261 3.251 10 5 CGBERN O=[N+]([O-])c1ccc(I)cc1C(F)F ZINC000238684942 346350167 /nfs/dbraw/zinc/35/01/67/346350167.db2.gz IGILJXUJOOGWIK-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN O=[N+]([O-])c1cc(Br)c(F)cc1C(F)F ZINC000307609905 346464067 /nfs/dbraw/zinc/46/40/67/346464067.db2.gz FVFGREFRKOPOJZ-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218866833 376191373 /nfs/dbraw/zinc/19/13/73/376191373.db2.gz FYHJQJBVTFTBRU-WPRPVWTQSA-N 0 0 268.288 3.343 10 5 CGBERN O[C@@H]1C=Cc2c3cc4ccccc4cc3ccc2[C@H]1O ZINC000001996340 368443482 /nfs/dbraw/zinc/44/34/82/368443482.db2.gz KUBYVPFVNKJERF-QZTJIDSGSA-N 0 0 262.308 3.414 10 5 CGBERN COc1cccc(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000034938847 368980500 /nfs/dbraw/zinc/98/05/00/368980500.db2.gz QSXDACHQJBMITN-UHFFFAOYSA-N 0 0 273.244 3.208 10 5 CGBERN CCC(CC)N(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000036789197 369028776 /nfs/dbraw/zinc/02/87/76/369028776.db2.gz MFOBELWWIPJGSX-UHFFFAOYSA-N 0 0 264.325 3.422 10 5 CGBERN C[N+]1([O-])CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000038877728 369147993 /nfs/dbraw/zinc/14/79/93/369147993.db2.gz ADOSMCNCNFMWSW-QNSVNVJESA-N 0 0 269.344 3.251 10 5 in-vitro CGBERN CC[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(C)C ZINC000042590899 369226414 /nfs/dbraw/zinc/22/64/14/369226414.db2.gz NLKGWOSGXKPYHZ-MRVPVSSYSA-N 0 0 268.342 3.151 10 5 CGBERN CCC1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000048346392 369342680 /nfs/dbraw/zinc/34/26/80/369342680.db2.gz OXNWQMZRYMPLQY-UHFFFAOYSA-N 0 0 266.345 3.017 10 5 CGBERN CCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377627 370325786 /nfs/dbraw/zinc/32/57/86/370325786.db2.gz NKYVRLPUTCYCET-JTQLQIEISA-N 0 0 262.309 3.063 10 5 CGBERN CCO[C@@H]1C[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000148951972 371526085 /nfs/dbraw/zinc/52/60/85/371526085.db2.gz AARVBSMUTXFWSO-UONOGXRCSA-N 0 0 294.326 3.494 10 5 CGBERN CSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301316621 373742478 /nfs/dbraw/zinc/74/24/78/373742478.db2.gz AEJFPZLVMDCWHN-MRVPVSSYSA-N 0 0 274.773 3.436 10 5 CGBERN Cc1cc(Oc2ccn3ccnc3c2)ccc1[N+](=O)[O-] ZINC000498050746 375618949 /nfs/dbraw/zinc/61/89/49/375618949.db2.gz PAZWIEOXBISWCR-UHFFFAOYSA-N 0 0 269.260 3.343 10 5 CGBERN CC[C@@H]1C[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000227015556 376376947 /nfs/dbraw/zinc/37/69/47/376376947.db2.gz GUGICDMAZKIDOF-RNCFNFMXSA-N 0 0 257.293 3.353 10 5 CGBERN O=[N+]([O-])c1cccc(OC(F)F)c1C(F)(F)F ZINC000575338368 377881096 /nfs/dbraw/zinc/88/10/96/377881096.db2.gz CSOBUMZMCCRVFE-UHFFFAOYSA-N 0 0 257.114 3.215 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)c(F)cc1OC(F)(F)F ZINC000575660955 377936946 /nfs/dbraw/zinc/93/69/46/377936946.db2.gz FAUSURJKCVFQCV-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=[N+]([O-])c1c(OC(F)F)ccc(F)c1C(F)(F)F ZINC000575660958 377937407 /nfs/dbraw/zinc/93/74/07/377937407.db2.gz FFWIVHTVEKGITE-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CC(=O)c1c(OC(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575665840 377943452 /nfs/dbraw/zinc/94/34/52/377943452.db2.gz GMQWCCMQEVUCHJ-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1cc(OC(F)F)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575669147 377946406 /nfs/dbraw/zinc/94/64/06/377946406.db2.gz YXQHJZCPHBUFNH-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN CCOC(=O)c1c(C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575673372 377948450 /nfs/dbraw/zinc/94/84/50/377948450.db2.gz JSWXTAMSHVDEJU-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CCOC(=O)c1c(C)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575673287 377948464 /nfs/dbraw/zinc/94/84/64/377948464.db2.gz HYPVOIIWYIINDD-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN COc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C(F)F ZINC000575671757 377948743 /nfs/dbraw/zinc/94/87/43/377948743.db2.gz MIYZYBKEKCJPJI-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(-c3cccnc3Cl)nc2c1 ZINC000575434153 377908930 /nfs/dbraw/zinc/90/89/30/377908930.db2.gz IFYOZWKCCGZWNR-UHFFFAOYSA-N 0 0 274.667 3.187 10 5 CGBERN O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c(Cl)n2)cc1 ZINC000575434460 377908956 /nfs/dbraw/zinc/90/89/56/377908956.db2.gz ZUUCIPOFEIKDSL-UHFFFAOYSA-N 0 0 279.639 3.218 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(Br)cc1Cl ZINC000575447857 377913350 /nfs/dbraw/zinc/91/33/50/377913350.db2.gz QZKYWRIDUFDMCY-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN COc1ccc([N+](=O)[O-])c(C(F)F)c1Br ZINC000575686685 377961880 /nfs/dbraw/zinc/96/18/80/377961880.db2.gz QTWHBMJCYOKYNY-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CC(=O)c1cc(C(F)F)cc([N+](=O)[O-])c1Br ZINC000575688206 377963362 /nfs/dbraw/zinc/96/33/62/377963362.db2.gz ZGKWOUWTFZEXCH-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN COC(=O)c1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F ZINC000575713105 377981346 /nfs/dbraw/zinc/98/13/46/377981346.db2.gz OWSYIWYVFJSSBT-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN COC(=O)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575712664 377981565 /nfs/dbraw/zinc/98/15/65/377981565.db2.gz JDBZCIQHZDEALL-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCc2ccccc21 ZINC000301195069 392585548 /nfs/dbraw/zinc/58/55/48/392585548.db2.gz NTIFYIPKDGZFKJ-AWEZNQCLSA-N 0 0 269.304 3.398 10 5 CGBERN O=[N+]([O-])c1c(F)cc(Br)cc1C(F)F ZINC000307651741 392653865 /nfs/dbraw/zinc/65/38/65/392653865.db2.gz MMKIGCJTLRFCJS-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN Nc1cccc2c1CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000261684152 165827610 /nfs/dbraw/zinc/82/76/10/165827610.db2.gz AGYPAUUUTPLPLS-UHFFFAOYSA-N 0 0 289.360 3.191 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1F ZINC000005362195 170089660 /nfs/dbraw/zinc/08/96/60/170089660.db2.gz DKEQQAIVWBYFBO-UHFFFAOYSA-N 0 0 274.251 3.295 10 5 CGBERN CC1CCC(Oc2ccc([N+](=O)[O-])cc2C=O)CC1 ZINC000020445124 171206227 /nfs/dbraw/zinc/20/62/27/171206227.db2.gz PHHOQXMTTWMVLD-UHFFFAOYSA-N 0 0 263.293 3.365 10 5 CGBERN C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000035134887 172001645 /nfs/dbraw/zinc/00/16/45/172001645.db2.gz JJYRSELOGWALDF-MRVPVSSYSA-N 0 0 294.694 3.332 10 5 CGBERN COc1ccccc1CNc1ccc([N+](=O)[O-])cc1OC ZINC000035224072 172068744 /nfs/dbraw/zinc/06/87/44/172068744.db2.gz OKOQWDCXWNEVMW-UHFFFAOYSA-N 0 0 288.303 3.224 10 5 CGBERN CCCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037247000 173060559 /nfs/dbraw/zinc/06/05/59/173060559.db2.gz VTROZIVHEZGNSJ-UHFFFAOYSA-N 0 0 277.107 3.041 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1NCC1CCCC1 ZINC000037259128 173069407 /nfs/dbraw/zinc/06/94/07/173069407.db2.gz CBCFRFVMRPDFHP-UHFFFAOYSA-N 0 0 255.705 3.245 10 5 CGBERN O=[N+]([O-])c1c2ncsc2ccc1NC[C@H]1CCCOC1 ZINC000038046281 174054491 /nfs/dbraw/zinc/05/44/91/174054491.db2.gz OXLYMAVVEFWADC-SECBINFHSA-N 0 0 293.348 3.043 10 5 CGBERN C[C@H](O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000038080451 174090148 /nfs/dbraw/zinc/09/01/48/174090148.db2.gz JWTCYSFSCSZNAN-JTQLQIEISA-N 0 0 259.261 3.440 10 5 CGBERN C[C@H]1CCCC[C@@H]1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000040176596 174201573 /nfs/dbraw/zinc/20/15/73/174201573.db2.gz RVNIPALPFJJKDC-GWCFXTLKSA-N 0 0 263.293 3.365 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1NC1CCCCCC1 ZINC000040571544 174338624 /nfs/dbraw/zinc/33/86/24/174338624.db2.gz IFVPLCMZNBPZIL-UHFFFAOYSA-N 0 0 270.720 3.173 10 5 CGBERN CC(C)CN(c1ccc([N+](=O)[O-])cc1C=O)C1CC1 ZINC000042557769 174794208 /nfs/dbraw/zinc/79/42/08/174794208.db2.gz BLNFHWVMFKLFFJ-UHFFFAOYSA-N 0 0 262.309 3.032 10 5 CGBERN CC(C)(C)OC(=O)N1[C@@H]2C=C[C@H]1c1ccc([N+](=O)[O-])cc12 ZINC000095938292 277196718 /nfs/dbraw/zinc/19/67/18/277196718.db2.gz GKOHCUNVALJZMH-QWHCGFSZSA-N 0 0 288.303 3.498 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2CCC[C@@H]21 ZINC000408362760 304800180 /nfs/dbraw/zinc/80/01/80/304800180.db2.gz QYDLRICVMGDRTJ-SCZZXKLOSA-N 0 0 267.716 3.022 10 5 CGBERN CCCNc1ccc([N+](=O)[O-])cc1COCCC ZINC000050832962 520170981 /nfs/dbraw/zinc/17/09/81/520170981.db2.gz BUSFEALTKZLQPT-UHFFFAOYSA-N 0 0 252.314 3.343 10 5 CGBERN O=Cc1ccc(SC2CCCC2)c([N+](=O)[O-])c1 ZINC000070162883 527150948 /nfs/dbraw/zinc/15/09/48/527150948.db2.gz GIYXEQBJXVRWBK-UHFFFAOYSA-N 0 0 251.307 3.442 10 5 CGBERN O=[N+]([O-])c1ccc(-c2cc(Cl)cnc2F)cc1 ZINC000725241555 567907983 /nfs/dbraw/zinc/90/79/83/567907983.db2.gz XVZZYSGLMYWHGP-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)C2=COCCC2)cc1[N+](=O)[O-] ZINC000084808144 625776628 /nfs/dbraw/zinc/77/66/28/625776628.db2.gz HKBRLXHKTVMHCK-LLVKDONJSA-N 0 0 291.303 3.202 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000125209214 634655201 /nfs/dbraw/zinc/65/52/01/634655201.db2.gz MLKAHUMHBCLTIJ-KCJUWKMLSA-N 0 0 299.710 3.030 10 5 CGBERN C[C@H](O)c1cccc(OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000035677873 639036335 /nfs/dbraw/zinc/03/63/35/639036335.db2.gz XKTJWLYEEWRIQS-LBPRGKRZSA-N 0 0 287.315 3.270 10 5 CGBERN CC/C=C\COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000588447095 799694665 /nfs/dbraw/zinc/69/46/65/799694665.db2.gz LZGOXUGRZJMWJY-UMCURTJPSA-N 0 0 281.283 3.347 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1/C=C1/C(=O)Nc2ccccc21 ZINC000588450016 799696274 /nfs/dbraw/zinc/69/62/74/799696274.db2.gz ANMZAECQYYGDNQ-NTEUORMPSA-N 0 0 280.283 3.396 10 5 CGBERN Cc1cccnc1/C=C\C(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000588452164 799696654 /nfs/dbraw/zinc/69/66/54/799696654.db2.gz GBZWPTAXZBDNHM-HJWRWDBZSA-N 0 0 298.298 3.225 10 5 CGBERN Cc1ccccc1[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000010810196 344876753 /nfs/dbraw/zinc/87/67/53/344876753.db2.gz ZUVZTAVJHHCWRJ-NSHDSACASA-N 0 0 299.330 3.175 10 5 CGBERN O=[N+]([O-])c1cnc2c(OC(F)F)cccc2c1Cl ZINC000098061823 345910572 /nfs/dbraw/zinc/91/05/72/345910572.db2.gz NOZOELMIWKDMGT-UHFFFAOYSA-N 0 0 274.610 3.398 10 5 CGBERN Cc1ccccc1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000136320086 346090972 /nfs/dbraw/zinc/09/09/72/346090972.db2.gz AEOFYTIHHDKKBQ-UHFFFAOYSA-N 0 0 255.273 3.443 10 5 CGBERN O=[N+]([O-])c1ccc(OCCCCCCCCO)cc1 ZINC000139072628 346099022 /nfs/dbraw/zinc/09/90/22/346099022.db2.gz ZWXCHKXLXLBFIH-UHFFFAOYSA-N 0 0 267.325 3.307 10 5 CGBERN O=[N+]([O-])c1ncccc1N[C@H]1CCCc2ccccc21 ZINC000159279861 346166886 /nfs/dbraw/zinc/16/68/86/346166886.db2.gz ZEGDALWQGRQCIG-ZDUSSCGKSA-N 0 0 269.304 3.479 10 5 CGBERN CC(C)(C)OC(=O)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000197991556 346277663 /nfs/dbraw/zinc/27/76/63/346277663.db2.gz ZZSBKSFWUFKUGC-UHFFFAOYSA-N 0 0 286.715 3.273 10 5 CGBERN O=[N+]([O-])c1cc2c[nH]nc2cc1OCc1ccccc1 ZINC000309824515 346470225 /nfs/dbraw/zinc/47/02/25/346470225.db2.gz DLKGBRHPNDFXPP-UHFFFAOYSA-N 0 0 269.260 3.050 10 5 CGBERN Cc1cnc([C@@H](C)Nc2c(Cl)cncc2[N+](=O)[O-])o1 ZINC000311513565 346473618 /nfs/dbraw/zinc/47/36/18/346473618.db2.gz CQZFXMHELRZWGX-SSDOTTSWSA-N 0 0 282.687 3.113 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)ncc1C(F)(F)F ZINC000514282158 346637993 /nfs/dbraw/zinc/63/79/93/346637993.db2.gz LYXNOUBWSQPSBX-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN CC(C)(C)OC(=O)N1CC[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000584616746 346693704 /nfs/dbraw/zinc/69/37/04/346693704.db2.gz XMFRLACPZULXTO-LBPRGKRZSA-N 0 0 292.335 3.147 10 5 CGBERN CCC(CC)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104552559 138350302 /nfs/dbraw/zinc/35/03/02/138350302.db2.gz CKNWIBVQKRXCIB-UHFFFAOYSA-N 0 0 289.335 3.242 10 5 CGBERN Cc1cc(NCC[C@H](O)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301462222 201018192 /nfs/dbraw/zinc/01/81/92/201018192.db2.gz FAYZDHSLRIDFSE-ZDUSSCGKSA-N 0 0 286.759 3.376 10 5 CGBERN COc1ccccc1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000006485129 368567034 /nfs/dbraw/zinc/56/70/34/368567034.db2.gz FCCMBBCBTYCOGW-UHFFFAOYSA-N 0 0 273.244 3.208 10 5 CGBERN Cc1nc2ccc3cc(Br)ccc3c2c(=O)[nH]1 ZINC000013832495 368668258 /nfs/dbraw/zinc/66/82/58/368668258.db2.gz MTSZDWLOLQNBNF-UHFFFAOYSA-N 0 0 289.132 3.147 10 5 CGBERN Cc1ccccc1[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000049526273 369406120 /nfs/dbraw/zinc/40/61/20/369406120.db2.gz BUYULFNDHGYJSL-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCC[C@@H]1CCCCO1 ZINC000228723451 189794745 /nfs/dbraw/zinc/79/47/45/189794745.db2.gz GHMVVRJUOCFBEY-NSHDSACASA-N 0 0 268.288 3.105 10 5 CGBERN Cc1nc(N[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000161507841 372331449 /nfs/dbraw/zinc/33/14/49/372331449.db2.gz IOCZPVASCWUQJB-LBPRGKRZSA-N 0 0 285.303 3.234 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000301209222 373692448 /nfs/dbraw/zinc/69/24/48/373692448.db2.gz VKHJNGVMMLINCS-AWEZNQCLSA-N 0 0 283.331 3.286 10 5 CGBERN Cc1ccc(CN(C)c2cc(C)c([N+](=O)[O-])cn2)cc1F ZINC000302722286 373941069 /nfs/dbraw/zinc/94/10/69/373941069.db2.gz MSULDMGZCCDCOG-UHFFFAOYSA-N 0 0 289.310 3.382 10 5 CGBERN Cc1cnc([C@H](C)Nc2c(F)cccc2[N+](=O)[O-])o1 ZINC000336809461 375961247 /nfs/dbraw/zinc/96/12/47/375961247.db2.gz FMFBLXPXTLRMBT-QMMMGPOBSA-N 0 0 265.244 3.203 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)(F)F)cc1C(F)F ZINC000575345683 377885018 /nfs/dbraw/zinc/88/50/18/377885018.db2.gz NLOLKWZCAMGKNX-UHFFFAOYSA-N 0 0 257.114 3.431 10 5 CGBERN O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379971 377891125 /nfs/dbraw/zinc/89/11/25/377891125.db2.gz PRPFRYPKUGHDNA-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=[N+]([O-])c1cc(CO)cc(C(F)(F)F)c1C(F)(F)F ZINC000575380801 377892714 /nfs/dbraw/zinc/89/27/14/377892714.db2.gz RQOMFECMNLHCPZ-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CCOc1c(CC)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575655816 377932933 /nfs/dbraw/zinc/93/29/33/377932933.db2.gz OIXGCQZYBDVQAT-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(F)c1OC(F)F ZINC000575661335 377937284 /nfs/dbraw/zinc/93/72/84/377937284.db2.gz LXLFZDUTMNZXMD-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=Cc1cc(OC(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575665860 377943007 /nfs/dbraw/zinc/94/30/07/377943007.db2.gz GPBULHQXPNFLTH-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CC(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575668980 377946092 /nfs/dbraw/zinc/94/60/92/377946092.db2.gz ZTCOXRKYFYVMRV-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN O=Cc1cc(C(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575672338 377948578 /nfs/dbraw/zinc/94/85/78/377948578.db2.gz ZEEPHYZWWMXXLC-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Br ZINC000575677688 377952110 /nfs/dbraw/zinc/95/21/10/377952110.db2.gz MNWRPWBUTHOXFT-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Br ZINC000575678436 377952473 /nfs/dbraw/zinc/95/24/73/377952473.db2.gz VBMLYPCKPKIXLK-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN COc1cccc(-c2cc(Cl)c([N+](=O)[O-])cn2)c1 ZINC000575434237 377908789 /nfs/dbraw/zinc/90/87/89/377908789.db2.gz WAQQYTTVOLMLHE-UHFFFAOYSA-N 0 0 264.668 3.319 10 5 CGBERN COc1cc(Br)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575685461 377960099 /nfs/dbraw/zinc/96/00/99/377960099.db2.gz LLGHZEXTIMVXCT-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=Cc1cc(Cl)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575695274 377969337 /nfs/dbraw/zinc/96/93/37/377969337.db2.gz LFVVKCPATBXZHN-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CCOc1cc([N+](=O)[O-])cc(F)c1C(F)(F)F ZINC000575697729 377970069 /nfs/dbraw/zinc/97/00/69/377970069.db2.gz IZOMFHCCIAGVKP-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOC(=O)c1cc(Cl)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575701278 377974783 /nfs/dbraw/zinc/97/47/83/377974783.db2.gz ZHKWMLCFYFXYKM-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCc1cc(CO)c(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000575704719 377978106 /nfs/dbraw/zinc/97/81/06/377978106.db2.gz BIURHXZCTZMKRA-UHFFFAOYSA-N 0 0 281.255 3.261 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000302823280 392621080 /nfs/dbraw/zinc/62/10/80/392621080.db2.gz LDYCOEGUAIQEGO-GHMZBOCLSA-N 0 0 297.786 3.085 10 5 CGBERN O=[N+]([O-])c1cc(Br)cc(Br)c1F ZINC000307643846 392653902 /nfs/dbraw/zinc/65/39/02/392653902.db2.gz QNQVKMVBSJDXAE-UHFFFAOYSA-N 0 0 298.893 3.259 10 5 CGBERN O=[N+]([O-])c1cc2c(cc1Br)CCCCN2 ZINC000669381429 543103724 /nfs/dbraw/zinc/10/37/24/543103724.db2.gz JPBOIGKAKRMPBE-UHFFFAOYSA-N 0 0 271.114 3.106 10 5 CGBERN CC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090467483 165235810 /nfs/dbraw/zinc/23/58/10/165235810.db2.gz KOXPPXKTPWDGPK-KFWWJZLASA-N 0 0 288.347 3.208 10 5 CGBERN Cc1nc2ccccc2n1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005926029 170156537 /nfs/dbraw/zinc/15/65/37/170156537.db2.gz GCCPQRHEMZZFKE-UHFFFAOYSA-N 0 0 295.298 3.250 10 5 CGBERN C/C(=C/c1ccccc1)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000006301310 170189445 /nfs/dbraw/zinc/18/94/45/170189445.db2.gz SXDRMZXAPDHGDO-CLFYSBASSA-N 0 0 289.316 3.093 10 5 CGBERN CC[C@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006397217 170197952 /nfs/dbraw/zinc/19/79/52/170197952.db2.gz OBAXIJJYYLYZBG-VNDWYCCKSA-N 0 0 288.347 3.399 10 5 CGBERN CCOCCCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000035344656 172136483 /nfs/dbraw/zinc/13/64/83/172136483.db2.gz UEXVQSPFBYXVTN-UHFFFAOYSA-N 0 0 281.337 3.043 10 5 CGBERN C[C@@H](O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000035627513 172306211 /nfs/dbraw/zinc/30/62/11/172306211.db2.gz VTELBBNLBFDMDE-LLVKDONJSA-N 0 0 273.288 3.227 10 5 CGBERN C[C@H](Nc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000037058735 172924345 /nfs/dbraw/zinc/92/43/45/172924345.db2.gz TUFBMBVPIVDTOK-JTQLQIEISA-N 0 0 258.277 3.474 10 5 CGBERN O=Cc1cc(F)ccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080612 174090059 /nfs/dbraw/zinc/09/00/59/174090059.db2.gz DRFPBYRSXKCAJA-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(Oc2ccccc2CO)c1 ZINC000038080796 174090568 /nfs/dbraw/zinc/09/05/68/174090568.db2.gz NQDNMTDONFSKTH-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN Cc1c(Oc2ccc(Cl)nn2)cccc1[N+](=O)[O-] ZINC000038082452 174090999 /nfs/dbraw/zinc/09/09/99/174090999.db2.gz LRWIDQLMUJNGDF-UHFFFAOYSA-N 0 0 265.656 3.139 10 5 CGBERN Cc1cccc(Oc2ccc(CO)cc2)c1[N+](=O)[O-] ZINC000038081945 174091333 /nfs/dbraw/zinc/09/13/33/174091333.db2.gz UPHNGAFLBSXZDF-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN CC(C)(C)Nc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040581539 174344977 /nfs/dbraw/zinc/34/49/77/174344977.db2.gz DTCSMENOFKIPGV-UHFFFAOYSA-N 0 0 293.371 3.340 10 5 CGBERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000052290767 175534687 /nfs/dbraw/zinc/53/46/87/175534687.db2.gz QBJQQUWKOVYQOW-WKEGUHRASA-N 0 0 271.114 3.178 10 5 CGBERN Cc1cccnc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000071344358 176130935 /nfs/dbraw/zinc/13/09/35/176130935.db2.gz CQRQHMCDJOGJEK-UHFFFAOYSA-N 0 0 261.256 3.049 10 5 CGBERN Cc1sc(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000071351470 176134838 /nfs/dbraw/zinc/13/48/38/176134838.db2.gz OKENBTFARMJCFP-UHFFFAOYSA-N 0 0 298.751 3.137 10 5 CGBERN CCC[C@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000075559690 176731430 /nfs/dbraw/zinc/73/14/30/176731430.db2.gz YBJAKZVZTKDCTQ-UFBFGSQYSA-N 0 0 282.727 3.167 10 5 CGBERN CCOc1ccc(-c2cncc([N+](=O)[O-])c2C)cc1 ZINC000725263707 544113888 /nfs/dbraw/zinc/11/38/88/544113888.db2.gz BFCIXVXZUSJWPP-UHFFFAOYSA-N 0 0 258.277 3.364 10 5 CGBERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000246576982 287712226 /nfs/dbraw/zinc/71/22/26/287712226.db2.gz ASBAKONNSOIXND-GMTAPVOTSA-N 0 0 294.376 3.450 10 5 CGBERN Cc1cccc2nc(-c3cccc([N+](=O)[O-])c3)cn21 ZINC000040980513 281316058 /nfs/dbraw/zinc/31/60/58/281316058.db2.gz SMKMRZLIHPYOCY-UHFFFAOYSA-N 0 0 253.261 3.218 10 5 CGBERN Cc1cnc(N2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408000962 302350445 /nfs/dbraw/zinc/35/04/45/302350445.db2.gz LDZNVGGWAKFXJI-OLZOCXBDSA-N 0 0 275.352 3.457 10 5 CGBERN C[C@H]1C[C@@H]1NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000052288481 524850095 /nfs/dbraw/zinc/85/00/95/524850095.db2.gz JCOSELQIZTXMJZ-XNCJUZBTSA-N 0 0 289.118 3.040 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)C2CC=CC2)cc1[N+](=O)[O-] ZINC000084808239 525754710 /nfs/dbraw/zinc/75/47/10/525754710.db2.gz LLWWPOHDMFVQMI-LLVKDONJSA-N 0 0 275.304 3.474 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000057464802 525912456 /nfs/dbraw/zinc/91/24/56/525912456.db2.gz YGHKBFKRCKBBIE-NSHDSACASA-N 0 0 288.303 3.296 10 5 CGBERN O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[C@H]1CCCO1 ZINC000236172569 618845501 /nfs/dbraw/zinc/84/55/01/618845501.db2.gz GNKKRNJZZIVIJG-MRVPVSSYSA-N 0 0 288.706 3.368 10 5 CGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000300583205 637845873 /nfs/dbraw/zinc/84/58/73/637845873.db2.gz LNXAFLIECJPASJ-KCJUWKMLSA-N 0 0 282.727 3.167 10 5 CGBERN Cc1ccccc1C(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000005884283 344862983 /nfs/dbraw/zinc/86/29/83/344862983.db2.gz ODYRJBDUJFMQQW-UHFFFAOYSA-N 0 0 270.288 3.464 10 5 CGBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c(F)c1 ZINC000078371484 345604680 /nfs/dbraw/zinc/60/46/80/345604680.db2.gz GMZZYLPZCDVAKM-QWRGUYRKSA-N 0 0 262.284 3.136 10 5 CGBERN Cc1cc(N2CCCC[C@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000092666898 345850984 /nfs/dbraw/zinc/85/09/84/345850984.db2.gz DGTQYUBGCKVWAX-HNNXBMFYSA-N 0 0 286.335 3.358 10 5 CGBERN O=[N+]([O-])c1cccnc1Nc1ccccc1Br ZINC000139087497 346099251 /nfs/dbraw/zinc/09/92/51/346099251.db2.gz JGRDWDFTSPDREM-UHFFFAOYSA-N 0 0 294.108 3.496 10 5 CGBERN O=[N+]([O-])c1c(Cl)c(F)ccc1Br ZINC000307044114 346459586 /nfs/dbraw/zinc/45/95/86/346459586.db2.gz WNXPQHSSYRRZBQ-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN CSc1cc([N+](=O)[O-])cc(F)c1Br ZINC000307131074 346460054 /nfs/dbraw/zinc/46/00/54/346460054.db2.gz SSUIHXSQFTYDLB-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN C[C@H]1OCC[C@@H]1Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000311789374 346474850 /nfs/dbraw/zinc/47/48/50/346474850.db2.gz FGUOKKIVRVFRHJ-APPZFPTMSA-N 0 0 272.251 3.122 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(C(F)(F)F)cc1CO ZINC000514282154 346637932 /nfs/dbraw/zinc/63/79/32/346637932.db2.gz HRCRHWZNZGUFIH-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CCCOc1cc([N+](=O)[O-])ccc1OCC1CC1 ZINC000584593235 346686126 /nfs/dbraw/zinc/68/61/26/346686126.db2.gz WEZANZPPSHTXBW-UHFFFAOYSA-N 0 0 251.282 3.172 10 5 CGBERN Cc1ccc2c(cnn2[C@H](C[N+](=O)[O-])c2ccccc2)c1 ZINC000584617755 346694329 /nfs/dbraw/zinc/69/43/29/346694329.db2.gz JCFNOOHNOAXOMQ-MRXNPFEDSA-N 0 0 281.315 3.211 10 5 CGBERN O=[N+]([O-])c1ccc2c(c1)CON(CCc1ccccc1)C2 ZINC000584617206 346694478 /nfs/dbraw/zinc/69/44/78/346694478.db2.gz QNVHUCPTUFTASO-UHFFFAOYSA-N 0 0 284.315 3.085 10 5 CGBERN COc1cccc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000091364398 180142678 /nfs/dbraw/zinc/14/26/78/180142678.db2.gz MMQYKWIUOBXIGQ-UHFFFAOYSA-N 0 0 269.260 3.147 10 5 CGBERN Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)nn2C)cc1 ZINC000091692421 180228319 /nfs/dbraw/zinc/22/83/19/180228319.db2.gz HCCTTYTWYLSDRJ-UHFFFAOYSA-N 0 0 294.314 3.366 10 5 CGBERN C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000150064342 187923291 /nfs/dbraw/zinc/92/32/91/187923291.db2.gz SCJVGDULRAKYMB-GMSGAONNSA-N 0 0 290.241 3.203 10 5 CGBERN CCOc1cc(N[C@@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301752271 201175887 /nfs/dbraw/zinc/17/58/87/201175887.db2.gz BHHIMYFTOANSKE-YPMHNXCESA-N 0 0 294.351 3.363 10 5 CGBERN C[C@H]1Cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000003093340 368491466 /nfs/dbraw/zinc/49/14/66/368491466.db2.gz BEKLGFINBZJQJQ-JTQLQIEISA-N 0 0 283.283 3.149 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043425313 369252288 /nfs/dbraw/zinc/25/22/88/369252288.db2.gz AOBQXLGSGQDNHF-KBPBESRZSA-N 0 0 296.754 3.002 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1C1(C)OCC(C)(C)CO1 ZINC000095347864 370177716 /nfs/dbraw/zinc/17/77/16/370177716.db2.gz CMCSWLBQDAOPHE-UHFFFAOYSA-N 0 0 265.309 3.149 10 5 CGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2ccco2)c1 ZINC000136295103 371473461 /nfs/dbraw/zinc/47/34/61/371473461.db2.gz VYHBJFAPNZTYGM-SECBINFHSA-N 0 0 290.275 3.148 10 5 CGBERN C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000150052955 371530315 /nfs/dbraw/zinc/53/03/15/371530315.db2.gz NBTKPZCNGJHBTM-OIBJUYFYSA-N 0 0 290.241 3.203 10 5 CGBERN C[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302822300 373975397 /nfs/dbraw/zinc/97/53/97/373975397.db2.gz SGMCBPWIXYQFLX-JTQLQIEISA-N 0 0 252.289 3.360 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000231663163 376562859 /nfs/dbraw/zinc/56/28/59/376562859.db2.gz ZRHACZNMHQOMLO-KOLCDFICSA-N 0 0 250.298 3.204 10 5 CGBERN Cc1cc(OC(F)F)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575668929 377946273 /nfs/dbraw/zinc/94/62/73/377946273.db2.gz VZGLCBWDFKSOQM-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN COc1c(Cl)c(Br)ccc1[N+](=O)[O-] ZINC000575676620 377952088 /nfs/dbraw/zinc/95/20/88/377952088.db2.gz CLFFSXOSNGJFHY-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C ZINC000575679246 377952731 /nfs/dbraw/zinc/95/27/31/377952731.db2.gz QFYGWFMYADXBAI-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN O=Cc1c(Br)cc([N+](=O)[O-])cc1C(F)F ZINC000575684472 377959225 /nfs/dbraw/zinc/95/92/25/377959225.db2.gz GGZHZQHPZDAYCC-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CC(=O)c1c(Br)ccc([N+](=O)[O-])c1C(F)F ZINC000575687220 377962115 /nfs/dbraw/zinc/96/21/15/377962115.db2.gz UYFIKZDROPRPLB-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl ZINC000575693549 377967830 /nfs/dbraw/zinc/96/78/30/377967830.db2.gz ALBKIBFFDBCDKW-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CC(C)(C)[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000283083271 380033607 /nfs/dbraw/zinc/03/36/07/380033607.db2.gz QBJBHSMZXFTPSC-LLVKDONJSA-N 0 0 273.716 3.034 10 5 CGBERN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000052291529 392076334 /nfs/dbraw/zinc/07/63/34/392076334.db2.gz YQWHMMVCURDHRY-LDWIPMOCSA-N 0 0 260.215 3.434 10 5 CGBERN Cc1nc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105629656 392292342 /nfs/dbraw/zinc/29/23/42/392292342.db2.gz RTXBVTSZQMKZLA-MRVPVSSYSA-N 0 0 279.321 3.281 10 5 CGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000117578737 392391533 /nfs/dbraw/zinc/39/15/33/392391533.db2.gz OENSUNRGCKUMLW-ZUZCIYMTSA-N 0 0 298.298 3.098 10 5 CGBERN CC(C)c1nn(C)cc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000675071039 543313073 /nfs/dbraw/zinc/31/30/73/543313073.db2.gz VXRJJUAAMWQXJL-UHFFFAOYSA-N 0 0 263.272 3.258 10 5 CGBERN Cc1ccc(NC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000005277226 170082168 /nfs/dbraw/zinc/08/21/68/170082168.db2.gz FWYTXWLNJKOVMO-UHFFFAOYSA-N 0 0 270.288 3.084 10 5 CGBERN C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005529221 170109641 /nfs/dbraw/zinc/10/96/41/170109641.db2.gz PGSXAKAHPKJAMD-DPGNGVPNSA-N 0 0 288.347 3.398 10 5 CGBERN O=[N+]([O-])C[C@@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000005800093 170141464 /nfs/dbraw/zinc/14/14/64/170141464.db2.gz INULANLUBGREJN-CYBMUJFWSA-N 0 0 287.275 3.025 10 5 CGBERN CC(C)(C)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006331609 170192296 /nfs/dbraw/zinc/19/22/96/170192296.db2.gz SZEVNUZOMCZHEC-UHFFFAOYSA-N 0 0 287.772 3.333 10 5 CGBERN Cc1ccccc1CN(C)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000007984949 170311797 /nfs/dbraw/zinc/31/17/97/170311797.db2.gz CVKJISDCLNKXQK-UHFFFAOYSA-N 0 0 284.315 3.352 10 5 CGBERN C[C@@H](O)c1cccc(OCc2ccccc2[N+](=O)[O-])c1 ZINC000035627772 172306352 /nfs/dbraw/zinc/30/63/52/172306352.db2.gz OLEGTPNHGNDGQR-LLVKDONJSA-N 0 0 273.288 3.227 10 5 CGBERN O=[N+]([O-])c1cc(NCc2ccc(O)cc2)ccc1F ZINC000037060619 172924907 /nfs/dbraw/zinc/92/49/07/172924907.db2.gz LMYGDHUSYRHDDM-UHFFFAOYSA-N 0 0 262.240 3.052 10 5 CGBERN Cc1c(O)cccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000037117170 172968271 /nfs/dbraw/zinc/96/82/71/172968271.db2.gz PCKHXKSMDKMKIN-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2ccc(F)c(F)c2F)o1 ZINC000037198212 173024813 /nfs/dbraw/zinc/02/48/13/173024813.db2.gz PIPOWKQQKZMENX-UHFFFAOYSA-N 0 0 272.182 3.217 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2ccc(Cl)cc2)o1 ZINC000037202799 173026118 /nfs/dbraw/zinc/02/61/18/173026118.db2.gz VHLDYWJIBAXFCP-UHFFFAOYSA-N 0 0 252.657 3.453 10 5 CGBERN Cc1ccccc1[C@@H](C)NCc1ccc([N+](=O)[O-])o1 ZINC000037220760 173038743 /nfs/dbraw/zinc/03/87/43/173038743.db2.gz UEVHYDRBEFESAY-LLVKDONJSA-N 0 0 260.293 3.347 10 5 CGBERN O=[N+]([O-])c1ccc(OCCNc2ccccc2)cc1 ZINC000038079319 174089325 /nfs/dbraw/zinc/08/93/25/174089325.db2.gz WQBWLBFYGGLJTQ-UHFFFAOYSA-N 0 0 258.277 3.086 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccc(F)cc2CO)cc1 ZINC000038080257 174090021 /nfs/dbraw/zinc/09/00/21/174090021.db2.gz DMASIBYAPUGRMT-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN Cc1ccc(C)c(Nc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000040571169 174338352 /nfs/dbraw/zinc/33/83/52/174338352.db2.gz XAQWMUWCEDYGLB-UHFFFAOYSA-N 0 0 278.699 3.399 10 5 CGBERN COc1ccc(C)cc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571121 174338649 /nfs/dbraw/zinc/33/86/49/174338649.db2.gz VUSCQTSPYNIJTD-UHFFFAOYSA-N 0 0 294.698 3.099 10 5 CGBERN CCOc1ncnc(Nc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040590199 174346421 /nfs/dbraw/zinc/34/64/21/174346421.db2.gz YEJDJBSQNZGELT-UHFFFAOYSA-N 0 0 288.307 3.144 10 5 CGBERN O=[N+]([O-])c1ccc(CC[C@@H]2CCCCC[C@H]2O)cc1 ZINC000049852334 175501553 /nfs/dbraw/zinc/50/15/53/175501553.db2.gz FSUVVCRBSYZGEZ-DZGCQCFKSA-N 0 0 263.337 3.469 10 5 CGBERN Cc1cccc(-c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000072236672 176345826 /nfs/dbraw/zinc/34/58/26/176345826.db2.gz FGXVEOJEVYHXMZ-UHFFFAOYSA-N 0 0 294.314 3.279 10 5 CGBERN C[C@@H]1C[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000052291984 278938814 /nfs/dbraw/zinc/93/88/14/278938814.db2.gz ABEBSWBPZQUMBB-MUWHJKNJSA-N 0 0 260.215 3.434 10 5 CGBERN Cc1cc(NCc2cccnc2)c([N+](=O)[O-])cc1C ZINC000050439270 525280276 /nfs/dbraw/zinc/28/02/76/525280276.db2.gz KKHFNOATCUPRQZ-UHFFFAOYSA-N 0 0 257.293 3.219 10 5 CGBERN Cc1cc(N[C@H]2CCSC2)c([N+](=O)[O-])cc1C ZINC000050439254 525305075 /nfs/dbraw/zinc/30/50/75/525305075.db2.gz MZPYMQIWVVKXQI-JTQLQIEISA-N 0 0 252.339 3.129 10 5 CGBERN CS[C@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809046 525860420 /nfs/dbraw/zinc/86/04/20/525860420.db2.gz NTRPZBIUOHSFIG-NXEZZACHSA-N 0 0 283.349 3.259 10 5 CGBERN CC[C@@H](N[C@H](C)c1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000138932848 637687643 /nfs/dbraw/zinc/68/76/43/637687643.db2.gz NSHHAZPHTMWYCK-ZWNOBZJWSA-N 0 0 274.324 3.120 10 5 CGBERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000300589329 637846121 /nfs/dbraw/zinc/84/61/21/637846121.db2.gz SXJUIUNPUYRGPN-SCZZXKLOSA-N 0 0 282.727 3.167 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1 ZINC000588436304 799693393 /nfs/dbraw/zinc/69/33/93/799693393.db2.gz FTACCQWMEUARRK-LUAWRHEFSA-N 0 0 283.287 3.032 10 5 CGBERN Cc1onc2c1c(=O)n1c3ccccc3c3cccc2c31 ZINC000006745723 344865909 /nfs/dbraw/zinc/86/59/09/344865909.db2.gz TYEZTCNUTPNLAQ-UHFFFAOYSA-N 0 0 274.279 3.493 10 5 CGBERN O=[N+]([O-])c1ccc(N(c2ccccn2)c2ccccn2)nc1 ZINC000032106356 344930005 /nfs/dbraw/zinc/93/00/05/344930005.db2.gz FWEROPHMWGPWLZ-UHFFFAOYSA-N 0 0 293.286 3.250 10 5 CGBERN COc1cccc(F)c1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000115912095 345974124 /nfs/dbraw/zinc/97/41/24/345974124.db2.gz PKOWMFZUKWWWSR-UHFFFAOYSA-N 0 0 291.234 3.347 10 5 CGBERN O=C(C[C@H](C[N+](=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000137158612 346093207 /nfs/dbraw/zinc/09/32/07/346093207.db2.gz VKFYUNNVODDQAU-CQSZACIVSA-N 0 0 287.290 3.459 10 5 CGBERN O=[N+]([O-])C[C@H](c1ccc[nH]1)c1ccccc1Br ZINC000143710141 346115628 /nfs/dbraw/zinc/11/56/28/346115628.db2.gz OZIALEQTCNNIGA-JTQLQIEISA-N 0 0 295.136 3.186 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(OCC)cc1Br ZINC000168382060 346190753 /nfs/dbraw/zinc/19/07/53/346190753.db2.gz IYEYVENLOJDTII-UHFFFAOYSA-N 0 0 290.113 3.155 10 5 CGBERN CSc1ccc([N+](=O)[O-])c(Br)c1C ZINC000306823832 346458211 /nfs/dbraw/zinc/45/82/11/346458211.db2.gz UQMAIOBIEGTPDS-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN CSc1cc([N+](=O)[O-])cc(Br)c1C ZINC000307539710 346463566 /nfs/dbraw/zinc/46/35/66/346463566.db2.gz YUVCVTQQAFUFCM-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN CNc1ncc(-c2ccc([N+](=O)[O-])nc2)cc1C(F)(F)F ZINC000584880959 346720647 /nfs/dbraw/zinc/72/06/47/346720647.db2.gz TWUOZMSUUGFZOA-UHFFFAOYSA-N 0 0 298.224 3.112 10 5 CGBERN O=[N+]([O-])c1ccc([C@H]2C[C@H](O)c3ccccc3N2)cc1 ZINC000090711641 180028871 /nfs/dbraw/zinc/02/88/71/180028871.db2.gz YEKWLQFQOAQSBJ-CABCVRRESA-N 0 0 270.288 3.185 10 5 CGBERN O=[N+]([O-])c1cc(Br)cc(C(F)F)c1 ZINC000117782989 186757000 /nfs/dbraw/zinc/75/70/00/186757000.db2.gz DMXVRUGSSAPNCE-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN Cc1oc2c(cccc2[N+](=O)[O-])c1Br ZINC000137850785 187901270 /nfs/dbraw/zinc/90/12/70/187901270.db2.gz BCWQOVCEBXZYIG-UHFFFAOYSA-N 0 0 256.055 3.412 10 5 CGBERN Cc1ccc([C@](C)(O)CNc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000301430560 201006429 /nfs/dbraw/zinc/00/64/29/201006429.db2.gz QHBSHLFBWBKRNE-OAHLLOKOSA-N 0 0 290.319 3.124 10 5 CGBERN COc1cc(N2CC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301598095 201089896 /nfs/dbraw/zinc/08/98/96/201089896.db2.gz XKQVAVCBDGOMLY-WCQYABFASA-N 0 0 276.336 3.372 10 5 CGBERN CC1(C)CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302059122 201324108 /nfs/dbraw/zinc/32/41/08/201324108.db2.gz RKERCUAYUBNUQT-UHFFFAOYSA-N 0 0 278.352 3.104 10 5 CGBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1cccs1 ZINC000302073984 201332867 /nfs/dbraw/zinc/33/28/67/201332867.db2.gz WZJQWBGVCOIAKS-JTQLQIEISA-N 0 0 292.360 3.364 10 5 CGBERN Cc1ccc(NC(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000003048026 368489491 /nfs/dbraw/zinc/48/94/91/368489491.db2.gz LAGSZXDYZTXEQU-UHFFFAOYSA-N 0 0 270.288 3.084 10 5 CGBERN Cc1cc([N+](=O)[O-])cc2c(=O)c3ccccc3oc12 ZINC000006522004 368566929 /nfs/dbraw/zinc/56/69/29/368566929.db2.gz RXPGPURPYUCHEO-UHFFFAOYSA-N 0 0 255.229 3.163 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NCC[C@H]1CCCO1 ZINC000037981733 369132626 /nfs/dbraw/zinc/13/26/26/369132626.db2.gz JDZBPWJJQUCSCO-SNVBAGLBSA-N 0 0 270.716 3.229 10 5 CGBERN Cc1cc(CSCCOc2ccccc2[N+](=O)[O-])no1 ZINC000101585141 370291591 /nfs/dbraw/zinc/29/15/91/370291591.db2.gz RZSOVIOXPOECGW-UHFFFAOYSA-N 0 0 294.332 3.203 10 5 CGBERN CC(C)CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103376649 370325219 /nfs/dbraw/zinc/32/52/19/370325219.db2.gz DDJNDWFCQDSZAU-NSHDSACASA-N 0 0 276.336 3.309 10 5 CGBERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)o1 ZINC000226548142 376364754 /nfs/dbraw/zinc/36/47/54/376364754.db2.gz QTUCAJOPDNJKJD-MRVPVSSYSA-N 0 0 265.244 3.203 10 5 CGBERN CC[C@@H]1C[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000227014551 376377758 /nfs/dbraw/zinc/37/77/58/376377758.db2.gz ILLKNJUMJCBUPM-RNCFNFMXSA-N 0 0 257.293 3.353 10 5 CGBERN O=[N+]([O-])c1c(F)ccc(OC(F)F)c1C(F)(F)F ZINC000575661966 377938872 /nfs/dbraw/zinc/93/88/72/377938872.db2.gz XOFJSBVSJSPFPN-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1OC(F)F ZINC000575666999 377944289 /nfs/dbraw/zinc/94/42/89/377944289.db2.gz NHDCIIXDANHICT-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575667430 377945555 /nfs/dbraw/zinc/94/55/55/377945555.db2.gz NBRCWBZIJJCRGG-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN COc1cc(OC(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575668915 377946586 /nfs/dbraw/zinc/94/65/86/377946586.db2.gz YQILOICBJUDSLB-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC000575673065 377948616 /nfs/dbraw/zinc/94/86/16/377948616.db2.gz BJFURPLWFQZKGK-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN O=Cc1cc(C(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575672339 377948792 /nfs/dbraw/zinc/94/87/92/377948792.db2.gz ZEGYOXCKSMARGJ-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN O=Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C(F)F ZINC000575672215 377948822 /nfs/dbraw/zinc/94/88/22/377948822.db2.gz TWAJFTXQGMHGMQ-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN CC(=O)c1c(OC(F)(F)F)cc(C)cc1[N+](=O)[O-] ZINC000575679510 377952347 /nfs/dbraw/zinc/95/23/47/377952347.db2.gz VCRGDNNOFIQUGK-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CC(=O)c1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000575677806 377952367 /nfs/dbraw/zinc/95/23/67/377952367.db2.gz QHEVOIDWZCTSCI-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN O=Cc1ccc([N+](=O)[O-])c(C(F)F)c1Br ZINC000575684535 377959054 /nfs/dbraw/zinc/95/90/54/377959054.db2.gz GMYRWDUENLWNLB-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN COc1c(C(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000575685503 377960371 /nfs/dbraw/zinc/96/03/71/377960371.db2.gz LOEGXKXKMIJKFP-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN COc1c([N+](=O)[O-])ccc(Br)c1C(F)F ZINC000575685292 377960437 /nfs/dbraw/zinc/96/04/37/377960437.db2.gz KNCSZICNNZNQFC-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=Cc1c(Br)ccc([N+](=O)[O-])c1C(F)F ZINC000575687765 377963351 /nfs/dbraw/zinc/96/33/51/377963351.db2.gz VVTZOTCEQOEVBN-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=Cc1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000575693664 377968608 /nfs/dbraw/zinc/96/86/08/377968608.db2.gz DGYOCIPTUUDNTD-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CCOc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575697883 377970120 /nfs/dbraw/zinc/97/01/20/377970120.db2.gz QQVJGFHHGINVOO-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(C)=O ZINC000575698778 377971128 /nfs/dbraw/zinc/97/11/28/377971128.db2.gz JRSLQHUKVNWRHO-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN O=[N+]([O-])c1ccc(-c2cc3c(ncnc3Cl)[nH]2)cc1 ZINC000091301954 285104133 /nfs/dbraw/zinc/10/41/33/285104133.db2.gz UIDMSVGNGNXGET-UHFFFAOYSA-N 0 0 274.667 3.187 10 5 CGBERN Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])s2)o1 ZINC000189683509 130007484 /nfs/dbraw/zinc/00/74/84/130007484.db2.gz SMLDFBITSBQZSS-ZETCQYMHSA-N 0 0 253.283 3.126 10 5 CGBERN CSc1cc(Br)cc([N+](=O)[O-])c1F ZINC000307535184 392652870 /nfs/dbraw/zinc/65/28/70/392652870.db2.gz QXBNVGFGSOVIBB-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1N1CCCc2ccccc21 ZINC000040571307 296495512 /nfs/dbraw/zinc/49/55/12/296495512.db2.gz JWOKBOKXTPSFBK-UHFFFAOYSA-N 0 0 290.710 3.123 10 5 CGBERN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007272006 170274779 /nfs/dbraw/zinc/27/47/79/170274779.db2.gz SYIDIKCEEXYGOB-JOYOIKCWSA-N 0 0 280.299 3.042 10 5 CGBERN Nc1ccccc1SCc1cccc([N+](=O)[O-])c1 ZINC000008435811 170336555 /nfs/dbraw/zinc/33/65/55/170336555.db2.gz OGWQUEDYNCPKEW-UHFFFAOYSA-N 0 0 260.318 3.469 10 5 CGBERN CCC[C@@H](Nc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000035763609 172404358 /nfs/dbraw/zinc/40/43/58/172404358.db2.gz ASRJXTOQVXNADX-CYBMUJFWSA-N 0 0 260.297 3.271 10 5 CGBERN Cc1ccc(NCc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000037059197 172924234 /nfs/dbraw/zinc/92/42/34/172924234.db2.gz OPJDYFOGZCEYJE-UHFFFAOYSA-N 0 0 258.277 3.221 10 5 CGBERN CC[C@@H](C)[C@H](C)Nc1cc([N+](=O)[O-])ccc1OC ZINC000037413933 173191202 /nfs/dbraw/zinc/19/12/02/173191202.db2.gz VDCVPEOPYCEZDD-ZJUUUORDSA-N 0 0 252.314 3.450 10 5 CGBERN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000037420908 173197725 /nfs/dbraw/zinc/19/77/25/173197725.db2.gz NYLLNJWJZYFIGJ-VIFPVBQESA-N 0 0 261.256 3.302 10 5 CGBERN CC(=O)CCCCOc1cc([N+](=O)[O-])ccc1C ZINC000038081799 174090415 /nfs/dbraw/zinc/09/04/15/174090415.db2.gz NSGVQNNDALHZGW-UHFFFAOYSA-N 0 0 251.282 3.041 10 5 CGBERN CC(=O)Oc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000038817031 174156566 /nfs/dbraw/zinc/15/65/66/174156566.db2.gz MQXCUKMOGHBJPQ-UHFFFAOYSA-N 0 0 287.271 3.099 10 5 CGBERN COC(=O)Cc1ccc2c(c1)ccc1ccccc1c2=O ZINC000039220554 174166057 /nfs/dbraw/zinc/16/60/57/174166057.db2.gz POCIWZHULJFZRW-UHFFFAOYSA-N 0 0 278.307 3.069 10 5 CGBERN CNc1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583394 174345540 /nfs/dbraw/zinc/34/55/40/174345540.db2.gz AHUZWPFROMTCLO-UHFFFAOYSA-N 0 0 296.286 3.372 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1C[C@@H]1CCCCC[C@H]1O ZINC000043658795 175085850 /nfs/dbraw/zinc/08/58/50/175085850.db2.gz IXPMLSJMYSRVHS-IINYFYTJSA-N 0 0 267.300 3.218 10 5 CGBERN O=c1ccc(Br)c2[nH]c3ccccc3nc1-2 ZINC000072108542 176317193 /nfs/dbraw/zinc/31/71/93/176317193.db2.gz GSFRBXWGQZHKRU-UHFFFAOYSA-N 0 0 275.105 3.251 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000134539070 287447681 /nfs/dbraw/zinc/44/76/81/287447681.db2.gz DUMJLVSMMULPQX-SECBINFHSA-N 0 0 292.266 3.126 10 5 CGBERN O=[N+]([O-])c1cccc(F)c1CN1CCOc2ccccc21 ZINC000103466574 270046010 /nfs/dbraw/zinc/04/60/10/270046010.db2.gz TYTXJAXEGMTQCE-UHFFFAOYSA-N 0 0 288.278 3.133 10 5 CGBERN CCOC(=O)c1nc2cc(Cl)cc([N+](=O)[O-])c2s1 ZINC000098177624 276303829 /nfs/dbraw/zinc/30/38/29/276303829.db2.gz RHXGMBPRMOQUFO-UHFFFAOYSA-N 0 0 286.696 3.035 10 5 CGBERN CC(C)(C)OC(=O)N1CCCc2cccc([N+](=O)[O-])c21 ZINC000299889377 278397545 /nfs/dbraw/zinc/39/75/45/278397545.db2.gz IJXVJZQRNLOUCI-UHFFFAOYSA-N 0 0 278.308 3.283 10 5 CGBERN Cc1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000014983129 278597462 /nfs/dbraw/zinc/59/74/62/278597462.db2.gz KQMXGSGRIHBQGJ-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000150053375 279045515 /nfs/dbraw/zinc/04/55/15/279045515.db2.gz NBTKPZCNGJHBTM-XVKPBYJWSA-N 0 0 290.241 3.203 10 5 CGBERN C[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1nccs1 ZINC000228723526 500883355 /nfs/dbraw/zinc/88/33/55/500883355.db2.gz IOBYNARJEKGIAK-QMMMGPOBSA-N 0 0 281.312 3.406 10 5 CGBERN CC(C)C[C@H](C)OCc1cc([N+](=O)[O-])ccc1N ZINC000050831990 519324805 /nfs/dbraw/zinc/32/48/05/519324805.db2.gz CLHOYSYSFSRTEX-JTQLQIEISA-N 0 0 252.314 3.128 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000057464800 525717593 /nfs/dbraw/zinc/71/75/93/525717593.db2.gz YGHKBFKRCKBBIE-LLVKDONJSA-N 0 0 288.303 3.296 10 5 CGBERN COC1CC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000230595921 623254039 /nfs/dbraw/zinc/25/40/39/623254039.db2.gz ICEUGCGPMZFXFR-UHFFFAOYSA-N 0 0 290.241 3.203 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)c2ccoc2)cc1[N+](=O)[O-] ZINC000084808025 636765331 /nfs/dbraw/zinc/76/53/31/636765331.db2.gz ISEATYKFHGYLRB-SNVBAGLBSA-N 0 0 275.260 3.414 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000588440354 799695176 /nfs/dbraw/zinc/69/51/76/799695176.db2.gz WZTMSDAOWCFFKF-HNDWPLSKSA-N 0 0 288.347 3.398 10 5 CGBERN Cc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000158125359 232235678 /nfs/dbraw/zinc/23/56/78/232235678.db2.gz WWXRTHJMMWZFQN-NWDGAFQWSA-N 0 0 290.363 3.411 10 5 CGBERN Cc1ccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000158582956 232239022 /nfs/dbraw/zinc/23/90/22/232239022.db2.gz OQJDUMWBFKBDDZ-RYUDHWBXSA-N 0 0 290.363 3.411 10 5 CGBERN COC(=O)C(C)(C)C(C)(C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000092674239 345851846 /nfs/dbraw/zinc/85/18/46/345851846.db2.gz IGGIBIGJLGAWST-UHFFFAOYSA-N 0 0 294.351 3.293 10 5 CGBERN CC(C)(C)OC(=O)/C=C/c1ccc(F)c([N+](=O)[O-])c1 ZINC000115409062 345972119 /nfs/dbraw/zinc/97/21/19/345972119.db2.gz OFWFNWRVEKQEBJ-FNORWQNLSA-N 0 0 267.256 3.089 10 5 CGBERN COc1ccc(Cn2nc(C)c3c2cccc3[N+](=O)[O-])cc1 ZINC000115388611 345972254 /nfs/dbraw/zinc/97/22/54/345972254.db2.gz SQVOORBVPCUNNB-UHFFFAOYSA-N 0 0 297.314 3.310 10 5 CGBERN Nc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000138918298 346098646 /nfs/dbraw/zinc/09/86/46/346098646.db2.gz RZMLCRWDGFATCO-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN O=[N+]([O-])c1c(Br)cccc1C(F)F ZINC000238702002 346350139 /nfs/dbraw/zinc/35/01/39/346350139.db2.gz CGYYOHUQJXSFPV-UHFFFAOYSA-N 0 0 252.014 3.295 10 5 CGBERN O=[N+]([O-])c1c(F)c(Cl)ccc1Br ZINC000306349846 346453194 /nfs/dbraw/zinc/45/31/94/346453194.db2.gz KWWWELWYCRMPPY-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(CO)c(C(F)(F)F)c1 ZINC000514282149 346637934 /nfs/dbraw/zinc/63/79/34/346637934.db2.gz BDVBXFBOGILSLE-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN O=c1oc(-c2cccs2)cc2c1cccc2[N+](=O)[O-] ZINC000584638517 346701706 /nfs/dbraw/zinc/70/17/06/346701706.db2.gz GWWVTVGIOHWATA-UHFFFAOYSA-N 0 0 273.269 3.430 10 5 CGBERN Cc1nc(Cl)cc(N(C)c2cccc([N+](=O)[O-])c2)n1 ZINC000584639681 346702303 /nfs/dbraw/zinc/70/23/03/346702303.db2.gz OTBYJIREJKXMBE-UHFFFAOYSA-N 0 0 278.699 3.115 10 5 CGBERN CC(=O)Nc1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@H](C)C1 ZINC000584904523 346723677 /nfs/dbraw/zinc/72/36/77/346723677.db2.gz LOFVVDWQHKWOST-PHIMTYICSA-N 0 0 291.351 3.036 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104237726 185940206 /nfs/dbraw/zinc/94/02/06/185940206.db2.gz HOLGXJGWNJCGIH-TUAOUCFPSA-N 0 0 261.325 3.146 10 5 CGBERN Cc1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)o1 ZINC000226546774 138499791 /nfs/dbraw/zinc/49/97/91/138499791.db2.gz ASBGTJYHMAOFGH-SSDOTTSWSA-N 0 0 282.687 3.113 10 5 CGBERN CSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301328078 200976773 /nfs/dbraw/zinc/97/67/73/200976773.db2.gz JFFMXTKLZFJHIY-SNVBAGLBSA-N 0 0 291.376 3.331 10 5 CGBERN Cc1cc(N[C@@H]2C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000301992992 201289923 /nfs/dbraw/zinc/28/99/23/201289923.db2.gz GNNKMKGAECDFRO-LDYMZIIASA-N 0 0 257.293 3.272 10 5 CGBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1cccs1 ZINC000302073985 201334646 /nfs/dbraw/zinc/33/46/46/201334646.db2.gz WZJQWBGVCOIAKS-SNVBAGLBSA-N 0 0 292.360 3.364 10 5 CGBERN C[C@H]1c2ccc(F)cc2CCN1c1ccncc1[N+](=O)[O-] ZINC000148466213 291316134 /nfs/dbraw/zinc/31/61/34/291316134.db2.gz AVDNOSDWQNFIOT-JTQLQIEISA-N 0 0 287.294 3.253 10 5 CGBERN Cn1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000302262240 201424434 /nfs/dbraw/zinc/42/44/34/201424434.db2.gz DRIKYQPIRHOUDA-UHFFFAOYSA-N 0 0 287.197 3.139 10 5 CGBERN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000121314067 370850547 /nfs/dbraw/zinc/85/05/47/370850547.db2.gz IVWBWISUODLMBI-NWDGAFQWSA-N 0 0 286.287 3.238 10 5 CGBERN O=Cc1ccc(N2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000014324454 368680859 /nfs/dbraw/zinc/68/08/59/368680859.db2.gz YUIUGKBDMJEBRF-UHFFFAOYSA-N 0 0 288.328 3.032 10 5 CGBERN CC(=O)Oc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000020310569 368806784 /nfs/dbraw/zinc/80/67/84/368806784.db2.gz XDNVXCFVBZXOMN-UHFFFAOYSA-N 0 0 298.254 3.328 10 5 CGBERN O=Cc1cc(F)cc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000225516319 189756009 /nfs/dbraw/zinc/75/60/09/189756009.db2.gz ARLAPYCQNVDBSG-UHFFFAOYSA-N 0 0 261.208 3.339 10 5 CGBERN CC(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000039339715 369148588 /nfs/dbraw/zinc/14/85/88/369148588.db2.gz KXPKQZVGLNMCPF-HNNXBMFYSA-N 0 0 284.315 3.015 10 5 CGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000049091688 369387537 /nfs/dbraw/zinc/38/75/37/369387537.db2.gz SFGGBYIYAZBSRH-GFCCVEGCSA-N 0 0 284.743 3.413 10 5 CGBERN O=[N+]([O-])c1ccccc1CNc1cccc(F)c1[N+](=O)[O-] ZINC000048805711 369370624 /nfs/dbraw/zinc/37/06/24/369370624.db2.gz RFVHYICXMQRROP-UHFFFAOYSA-N 0 0 291.238 3.254 10 5 CGBERN CO[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050374968 369437033 /nfs/dbraw/zinc/43/70/33/369437033.db2.gz GDMCATREAKPYHB-CMPLNLGQSA-N 0 0 270.716 3.228 10 5 CGBERN C[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000052290772 369466592 /nfs/dbraw/zinc/46/65/92/369466592.db2.gz QBJQQUWKOVYQOW-QUBYGPBYSA-N 0 0 271.114 3.178 10 5 CGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000095088107 370172175 /nfs/dbraw/zinc/17/21/75/370172175.db2.gz WXTXTDFTWYORMF-UHFFFAOYSA-N 0 0 262.231 3.325 10 5 CGBERN C[C@H](O)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302820764 373973852 /nfs/dbraw/zinc/97/38/52/373973852.db2.gz PVTLLMGDAIKPAV-JTQLQIEISA-N 0 0 290.294 3.399 10 5 CGBERN Cc1ccc(CN(C)c2cc(F)ccc2[N+](=O)[O-])o1 ZINC000302865683 373988421 /nfs/dbraw/zinc/98/84/21/373988421.db2.gz UPTSUHJDPZWNRM-UHFFFAOYSA-N 0 0 264.256 3.272 10 5 CGBERN Cc1ccc(-c2nc(Cl)c(N)c(Cl)n2)cc1[N+](=O)[O-] ZINC000211723237 376135632 /nfs/dbraw/zinc/13/56/32/376135632.db2.gz UHKVPEAFGVZPKJ-UHFFFAOYSA-N 0 0 299.117 3.249 10 5 CGBERN CC[C@@H]1C[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000227014567 376377874 /nfs/dbraw/zinc/37/78/74/376377874.db2.gz ILLKNJUMJCBUPM-NOZJJQNGSA-N 0 0 257.293 3.353 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227286328 376388514 /nfs/dbraw/zinc/38/85/14/376388514.db2.gz JZDVKPINDGDYPN-VXNVDRBHSA-N 0 0 255.705 3.244 10 5 CGBERN CCOc1cccc(N[C@H]2C[C@H]2CC)c1[N+](=O)[O-] ZINC000231037249 376554356 /nfs/dbraw/zinc/55/43/56/376554356.db2.gz XUXOXTGBXODDKW-KOLCDFICSA-N 0 0 250.298 3.204 10 5 CGBERN C[C@@H]1C[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000251784089 377598309 /nfs/dbraw/zinc/59/83/09/377598309.db2.gz FQLRSQJCFXXRSO-DOFRTFSJSA-N 0 0 268.288 3.102 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575668242 377945315 /nfs/dbraw/zinc/94/53/15/377945315.db2.gz STPIEBCUENTORY-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)(F)F ZINC000575668579 377946399 /nfs/dbraw/zinc/94/63/99/377946399.db2.gz VTOPHUDYGGJUTE-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN COc1cc(Br)cc(Cl)c1[N+](=O)[O-] ZINC000575677222 377951640 /nfs/dbraw/zinc/95/16/40/377951640.db2.gz HZLZZGOORSAZPE-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN COc1c(Cl)ccc(Br)c1[N+](=O)[O-] ZINC000575677114 377951889 /nfs/dbraw/zinc/95/18/89/377951889.db2.gz GQFJDNSVVIUHOY-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC(=O)c1cc(C)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575677703 377952561 /nfs/dbraw/zinc/95/25/61/377952561.db2.gz CWYPOKLTOLIUSI-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Br ZINC000575678530 377952837 /nfs/dbraw/zinc/95/28/37/377952837.db2.gz XGRZKDVJOHUMRW-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN CC(=O)c1c(C(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000575685916 377961066 /nfs/dbraw/zinc/96/10/66/377961066.db2.gz NLCYNLDYJOTZOY-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(C)=O ZINC000575698954 377971102 /nfs/dbraw/zinc/97/11/02/377971102.db2.gz ONEGPFOWYGHVES-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1OC ZINC000575698641 377971407 /nfs/dbraw/zinc/97/14/07/377971407.db2.gz BZHKZIDQOHVUML-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCOc1cc(C(F)(F)F)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575698899 377971741 /nfs/dbraw/zinc/97/17/41/377971741.db2.gz NNHNPHNGUAXQEE-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOc1cc(C(F)(F)F)cc(C(C)=O)c1[N+](=O)[O-] ZINC000575699731 377972686 /nfs/dbraw/zinc/97/26/86/377972686.db2.gz WMKYKHLTZCKIFJ-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCOC(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1Cl ZINC000575700612 377973770 /nfs/dbraw/zinc/97/37/70/377973770.db2.gz OOAPOPQZESVDQY-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCOC(=O)c1c(Cl)cc([N+](=O)[O-])cc1OC(F)F ZINC000575701139 377974909 /nfs/dbraw/zinc/97/49/09/377974909.db2.gz SNNHMMCMPQSRSN-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN CCc1c(C(C)=O)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575702455 377976275 /nfs/dbraw/zinc/97/62/75/377976275.db2.gz FJVINECVWWDIPQ-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN O=Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 ZINC000005117219 285034160 /nfs/dbraw/zinc/03/41/60/285034160.db2.gz ZPIAVZNPGIYODT-UHFFFAOYSA-N 0 0 274.261 3.369 10 5 CGBERN CCC[C@]1(COC)CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000302836242 392621645 /nfs/dbraw/zinc/62/16/45/392621645.db2.gz WIXZFKYDOXGUEH-OAHLLOKOSA-N 0 0 293.367 3.084 10 5 CGBERN Cc1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000182583740 392747792 /nfs/dbraw/zinc/74/77/92/392747792.db2.gz JDKQISIJIUVVSL-GFCCVEGCSA-N 0 0 290.319 3.226 10 5 CGBERN Cc1ccc([C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)o1 ZINC000196181009 392975611 /nfs/dbraw/zinc/97/56/11/392975611.db2.gz MIADAOBIPWOGOO-LURJTMIESA-N 0 0 272.515 3.319 10 5 CGBERN CSc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000307517912 397680865 /nfs/dbraw/zinc/68/08/65/397680865.db2.gz UMLXEUSDKNMXCG-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(NC(=O)/C=C/c2ccco2)c1 ZINC000005961926 170162833 /nfs/dbraw/zinc/16/28/33/170162833.db2.gz ARLVGRYSPHNNJS-FNORWQNLSA-N 0 0 272.260 3.148 10 5 CGBERN Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3C)oc(=O)c2c1 ZINC000006521483 170209559 /nfs/dbraw/zinc/20/95/59/170209559.db2.gz GLCBXJSUITYROE-UHFFFAOYSA-N 0 0 296.282 3.380 10 5 CGBERN CN(Cc1ccccc1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000008055397 170316768 /nfs/dbraw/zinc/31/67/68/170316768.db2.gz HIAAHQDGVUWGJS-UHFFFAOYSA-N 0 0 270.288 3.044 10 5 CGBERN CC(C)(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000035308385 172121807 /nfs/dbraw/zinc/12/18/07/172121807.db2.gz ZAPOMHVECJKGLN-UHFFFAOYSA-N 0 0 253.273 3.282 10 5 CGBERN C[C@@H](O)c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000035631111 172313342 /nfs/dbraw/zinc/31/33/42/172313342.db2.gz WHAGNDONHYZVFJ-LLVKDONJSA-N 0 0 272.304 3.416 10 5 CGBERN O=C(c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N1CCCC1 ZINC000037247109 173060352 /nfs/dbraw/zinc/06/03/52/173060352.db2.gz SJZBHMKEVLXDFR-UHFFFAOYSA-N 0 0 289.118 3.138 10 5 CGBERN C[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc[nH]n1 ZINC000037907747 173840927 /nfs/dbraw/zinc/84/09/27/173840927.db2.gz LENDVNYQHUPKSX-ZETCQYMHSA-N 0 0 266.688 3.144 10 5 CGBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccccc1Cl ZINC000040571315 174338477 /nfs/dbraw/zinc/33/84/77/174338477.db2.gz MVCRRMDEPUEEMH-UHFFFAOYSA-N 0 0 285.090 3.435 10 5 CGBERN CCNc1ncnc(Oc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582520 174345166 /nfs/dbraw/zinc/34/51/66/174345166.db2.gz NZRLWJAXRRZADA-UHFFFAOYSA-N 0 0 288.307 3.226 10 5 CGBERN CNc1ncnc(Nc2ccc(C)c(Cl)c2)c1[N+](=O)[O-] ZINC000040590792 174346826 /nfs/dbraw/zinc/34/68/26/174346826.db2.gz JFIMPGVGCWCUNS-UHFFFAOYSA-N 0 0 293.714 3.132 10 5 CGBERN CC(C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040597450 174349432 /nfs/dbraw/zinc/34/94/32/174349432.db2.gz KMQOGEJWJTYICQ-UHFFFAOYSA-N 0 0 291.286 3.088 10 5 CGBERN C[C@@H](Cc1cccs1)Nc1cc([N+](=O)[O-])ccn1 ZINC000071271137 176104308 /nfs/dbraw/zinc/10/43/08/176104308.db2.gz HIIUGRWAQAFNRJ-VIFPVBQESA-N 0 0 263.322 3.094 10 5 CGBERN CC(C)c1cc2c(cc1[N+](=O)[O-])S(=O)(=O)CCC2(C)C ZINC000725256136 544113430 /nfs/dbraw/zinc/11/34/30/544113430.db2.gz UWXHCNPGQUBWBG-UHFFFAOYSA-N 0 0 297.376 3.173 10 5 CGBERN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248443414 287765810 /nfs/dbraw/zinc/76/58/10/287765810.db2.gz VUKXMXLFUZHYIW-USWWRNFRSA-N 0 0 294.376 3.307 10 5 CGBERN CC(=O)c1cc(N2C[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000368183535 277106567 /nfs/dbraw/zinc/10/65/67/277106567.db2.gz HXYGWUTUJOFVAW-BXUZGUMPSA-N 0 0 274.320 3.176 10 5 CGBERN CC(C)OCC(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC000396435467 288013276 /nfs/dbraw/zinc/01/32/76/288013276.db2.gz YWUCNBDZPPEHPR-UHFFFAOYSA-N 0 0 252.314 3.210 10 5 CGBERN Cc1cc([N+](=O)[O-])c2ncccc2c1Br ZINC000095935690 278744415 /nfs/dbraw/zinc/74/44/15/278744415.db2.gz NMSZUBQNKATDFJ-UHFFFAOYSA-N 0 0 267.082 3.214 10 5 CGBERN CCCNc1ccc([N+](=O)[O-])cc1CSCCOC ZINC000050838257 520173091 /nfs/dbraw/zinc/17/30/91/520173091.db2.gz OPUQREBJYHHUIF-UHFFFAOYSA-N 0 0 284.381 3.296 10 5 CGBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC2(CC2)CC1 ZINC000377593587 534702782 /nfs/dbraw/zinc/70/27/82/534702782.db2.gz QLKJQSAARPXBFH-UHFFFAOYSA-N 0 0 294.738 3.264 10 5 CGBERN C[C@H]1CCCC[C@H]1OCc1cc([N+](=O)[O-])ccc1N ZINC000050831678 526263046 /nfs/dbraw/zinc/26/30/46/526263046.db2.gz FORUWPURTDZZKI-IINYFYTJSA-N 0 0 264.325 3.272 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1OCc1cccs1 ZINC000054269259 527321094 /nfs/dbraw/zinc/32/10/94/527321094.db2.gz KLOXJPALAVPYAN-UHFFFAOYSA-N 0 0 253.254 3.374 10 5 CGBERN CC(C)=CC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176943819 618767476 /nfs/dbraw/zinc/76/74/76/618767476.db2.gz FYYXMVBKFVEGGH-LLVKDONJSA-N 0 0 263.293 3.474 10 5 CGBERN CC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000111728754 619193619 /nfs/dbraw/zinc/19/36/19/619193619.db2.gz MRTVWGOMKATLOL-SNVBAGLBSA-N 0 0 282.727 3.054 10 5 CGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC000058994459 622980197 /nfs/dbraw/zinc/98/01/97/622980197.db2.gz LGSJICFYNPOCHO-UHFFFAOYSA-N 0 0 299.261 3.468 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1 ZINC000588436156 799693746 /nfs/dbraw/zinc/69/37/46/799693746.db2.gz GGVWNOFRQAGBQW-SEYXRHQNSA-N 0 0 288.347 3.401 10 5 CGBERN Cc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000158125268 232235972 /nfs/dbraw/zinc/23/59/72/232235972.db2.gz WWXRTHJMMWZFQN-NEPJUHHUSA-N 0 0 290.363 3.411 10 5 CGBERN CN(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000092826231 345859497 /nfs/dbraw/zinc/85/94/97/345859497.db2.gz OXMJFUTXPFECHM-UHFFFAOYSA-N 0 0 276.267 3.302 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(F)c1OCc1ccccc1 ZINC000115098201 345968836 /nfs/dbraw/zinc/96/88/36/345968836.db2.gz LWPPAGGWCDNCCV-UHFFFAOYSA-N 0 0 265.215 3.452 10 5 CGBERN COC(=O)c1ccc(-c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000130010570 346053859 /nfs/dbraw/zinc/05/38/59/346053859.db2.gz KZBMDELRPWONLI-UHFFFAOYSA-N 0 0 287.271 3.057 10 5 CGBERN CC(C)(C)OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1F ZINC000138980762 346098262 /nfs/dbraw/zinc/09/82/62/346098262.db2.gz NIWDYRHQEVOEHF-UHFFFAOYSA-N 0 0 274.223 3.220 10 5 CGBERN CSc1ccc(C)c([N+](=O)[O-])c1Br ZINC000307276147 346461396 /nfs/dbraw/zinc/46/13/96/346461396.db2.gz UUJATWPKUVPJKF-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN O=[N+]([O-])c1c(C(F)(F)F)ccnc1C(F)(F)F ZINC000514282047 346637917 /nfs/dbraw/zinc/63/79/17/346637917.db2.gz PXUZRHQVKUMUBC-UHFFFAOYSA-N 0 0 260.093 3.027 10 5 CGBERN Nc1cc2c(cc1C(F)(F)F)[nH]c1ccccc1c2=O ZINC000584640645 346702731 /nfs/dbraw/zinc/70/27/31/346702731.db2.gz LEZTUHDDKXRGAW-UHFFFAOYSA-N 0 0 278.233 3.282 10 5 CGBERN O=[N+]([O-])c1ccc([C@H]2C[C@@H](O)c3ccccc3N2)cc1 ZINC000090711636 180028585 /nfs/dbraw/zinc/02/85/85/180028585.db2.gz YEKWLQFQOAQSBJ-HUUCEWRRSA-N 0 0 270.288 3.185 10 5 CGBERN Cc1ccc([C@@](C)(O)CNc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000301430559 201007252 /nfs/dbraw/zinc/00/72/52/201007252.db2.gz QHBSHLFBWBKRNE-HNNXBMFYSA-N 0 0 290.319 3.124 10 5 CGBERN C[C@@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302028222 201306188 /nfs/dbraw/zinc/30/61/88/201306188.db2.gz IWTRFUCBKHKGKI-MDZLAQPJSA-N 0 0 278.352 3.324 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1NCC1(C2CC2)CCC1 ZINC000302031960 201308828 /nfs/dbraw/zinc/30/88/28/201308828.db2.gz KKZAWVYUKSKFTP-UHFFFAOYSA-N 0 0 276.336 3.079 10 5 CGBERN CCS[C@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302035044 201309920 /nfs/dbraw/zinc/30/99/20/201309920.db2.gz LOCCOIQCLPKANO-NEPJUHHUSA-N 0 0 296.392 3.173 10 5 CGBERN CC(=O)N(c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000196812939 189682732 /nfs/dbraw/zinc/68/27/32/189682732.db2.gz HHBVYUVSOXNSFA-UHFFFAOYSA-N 0 0 256.261 3.279 10 5 CGBERN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000121314176 370850778 /nfs/dbraw/zinc/85/07/78/370850778.db2.gz IVWBWISUODLMBI-RYUDHWBXSA-N 0 0 286.287 3.238 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)OC(C)(C)C ZINC000001095276 368402682 /nfs/dbraw/zinc/40/26/82/368402682.db2.gz RUPSDFZXKABEGC-UHFFFAOYSA-N 0 0 252.270 3.250 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000017963442 368735755 /nfs/dbraw/zinc/73/57/55/368735755.db2.gz OOUPHIUFCKVSKP-LBPRGKRZSA-N 0 0 284.315 3.394 10 5 CGBERN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000024107760 368829434 /nfs/dbraw/zinc/82/94/34/368829434.db2.gz CYWFTUSPAZPVHO-QMMMGPOBSA-N 0 0 279.246 3.441 10 5 CGBERN CCN1c2ccc([N+](=O)[O-])cc2Oc2ccccc2C1=O ZINC000032917251 368952681 /nfs/dbraw/zinc/95/26/81/368952681.db2.gz UGMIYKHOXKGBSZ-UHFFFAOYSA-N 0 0 284.271 3.367 10 5 CGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCO2)c(Cl)c1 ZINC000037981300 369132695 /nfs/dbraw/zinc/13/26/95/369132695.db2.gz MGLADEHCPJRULQ-JTQLQIEISA-N 0 0 270.716 3.229 10 5 CGBERN O=[N+]([O-])c1ccccc1-n1nccc1-c1ccccc1 ZINC000042188343 369203759 /nfs/dbraw/zinc/20/37/59/369203759.db2.gz PKXNSITUBXLXMS-UHFFFAOYSA-N 0 0 265.272 3.448 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1cccc(F)c1 ZINC000052119388 369464792 /nfs/dbraw/zinc/46/47/92/369464792.db2.gz OGKOHMVTTDWFIW-UHFFFAOYSA-N 0 0 264.231 3.485 10 5 CGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000116041163 370545701 /nfs/dbraw/zinc/54/57/01/370545701.db2.gz SGOOZSFIRYFONR-CYBMUJFWSA-N 0 0 286.287 3.165 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)cc(Br)c1F ZINC000307470456 374147765 /nfs/dbraw/zinc/14/77/65/374147765.db2.gz VIPKTZVRDWIDPZ-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN O=[N+]([O-])c1cc(CN2CCC[C@@]23CCOC3)ccc1Cl ZINC000313009758 374296948 /nfs/dbraw/zinc/29/69/48/374296948.db2.gz OCQSUPDCOXRUCY-AWEZNQCLSA-N 0 0 296.754 3.003 10 5 CGBERN CSc1cccc(C(=O)N[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000185971331 374778365 /nfs/dbraw/zinc/77/83/65/374778365.db2.gz UVFPODIVMVMUJC-VIFPVBQESA-N 0 0 282.365 3.091 10 5 CGBERN CNC(=O)c1ccc2c(c1)nc1ccccc1c2Cl ZINC000196279924 376120089 /nfs/dbraw/zinc/12/00/89/376120089.db2.gz TVCMROUQHUZXGU-UHFFFAOYSA-N 0 0 270.719 3.401 10 5 CGBERN Cc1cnc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000226547706 376362918 /nfs/dbraw/zinc/36/29/18/376362918.db2.gz MIIOMAMLDFAPSZ-MRVPVSSYSA-N 0 0 265.244 3.203 10 5 CGBERN CC[C@H](NC(=O)N[C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090512100 249029517 /nfs/dbraw/zinc/02/95/17/249029517.db2.gz HFFKTJSNBVLEJF-RISCZKNCSA-N 0 0 293.367 3.390 10 5 CGBERN CCOc1cc(CC)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575657056 377933785 /nfs/dbraw/zinc/93/37/85/377933785.db2.gz UUBBYJLFASBLFI-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1OC(F)F ZINC000575661389 377938694 /nfs/dbraw/zinc/93/86/94/377938694.db2.gz ODQFEVFBNDVZFX-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CCOc1cc(C(C)=O)cc(C(F)F)c1[N+](=O)[O-] ZINC000575665022 377941880 /nfs/dbraw/zinc/94/18/80/377941880.db2.gz BRLPGFWYYNHTRS-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN Cc1c(OC(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575665083 377941883 /nfs/dbraw/zinc/94/18/83/377941883.db2.gz BBVWEVLUWFVMSS-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN COc1c([N+](=O)[O-])ccc(OC(F)F)c1C(F)(F)F ZINC000575665525 377942170 /nfs/dbraw/zinc/94/21/70/377942170.db2.gz GGRWKTLJLCMLPI-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN COc1c(OC(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575667828 377945497 /nfs/dbraw/zinc/94/54/97/377945497.db2.gz RGXPONINWKOQBP-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=Cc1cc(OC(F)(F)F)c(C(F)F)cc1[N+](=O)[O-] ZINC000575671392 377947434 /nfs/dbraw/zinc/94/74/34/377947434.db2.gz KBKRGYARKIYVHJ-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN COc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C(F)F ZINC000575670883 377947453 /nfs/dbraw/zinc/94/74/53/377947453.db2.gz DPBWQAUVKDWMOW-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CC(=O)c1c(Cl)c(Br)ccc1[N+](=O)[O-] ZINC000575676645 377951797 /nfs/dbraw/zinc/95/17/97/377951797.db2.gz DEZRIEHCNSRKRO-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN COc1ccc(Cl)c([N+](=O)[O-])c1Br ZINC000575678450 377953052 /nfs/dbraw/zinc/95/30/52/377953052.db2.gz VJOZHAIYCPTOLH-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC(=O)c1cc(Br)c(C(F)F)cc1[N+](=O)[O-] ZINC000575686864 377961920 /nfs/dbraw/zinc/96/19/20/377961920.db2.gz RUTVKDFIUNKLAN-UHFFFAOYSA-N 0 0 294.051 3.498 10 5 CGBERN COc1c(Br)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575688145 377963403 /nfs/dbraw/zinc/96/34/03/377963403.db2.gz YBUNMFLYCHUYOL-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1Cl ZINC000575693749 377967883 /nfs/dbraw/zinc/96/78/83/377967883.db2.gz FVETVMRKGQGMRJ-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575694503 377969297 /nfs/dbraw/zinc/96/92/97/377969297.db2.gz GMOPBLMPZMHNFL-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C(C)=O ZINC000575699826 377972476 /nfs/dbraw/zinc/97/24/76/377972476.db2.gz XVBCJSRQHGDJIO-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN CCc1cc([N+](=O)[O-])cc(C(C)=O)c1C(F)(F)F ZINC000575703625 377977489 /nfs/dbraw/zinc/97/74/89/377977489.db2.gz OWAYMIKTSJQNHE-UHFFFAOYSA-N 0 0 261.199 3.379 10 5 CGBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)CC2(C)C)n1 ZINC000408171704 379996756 /nfs/dbraw/zinc/99/67/56/379996756.db2.gz MPMIGKLHCCHDDE-SECBINFHSA-N 0 0 263.341 3.231 10 5 CGBERN C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000154004453 533617890 /nfs/dbraw/zinc/61/78/90/533617890.db2.gz COXLVMGJRJKAMG-RYUDHWBXSA-N 0 0 291.351 3.495 10 5 CGBERN CCOP(=O)(Nc1cccc([N+](=O)[O-])c1)OCC ZINC000196139896 392975323 /nfs/dbraw/zinc/97/53/23/392975323.db2.gz IWNVTOFDGBSDQY-UHFFFAOYSA-N 0 0 274.213 3.188 10 5 CGBERN C[C@H]1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000196208533 392975798 /nfs/dbraw/zinc/97/57/98/392975798.db2.gz OGCUASVESUFADR-BMIGLBTASA-N 0 0 269.304 3.370 10 5 CGBERN O=Cc1cc([N+](=O)[O-])ccc1N1CCc2sccc2C1 ZINC000034938087 134786007 /nfs/dbraw/zinc/78/60/07/134786007.db2.gz FVUSXNIHZXIBSH-UHFFFAOYSA-N 0 0 288.328 3.032 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC2(CCCC2)CC1 ZINC000302076206 296504105 /nfs/dbraw/zinc/50/41/05/296504105.db2.gz YBYIPMAUWKRGGA-UHFFFAOYSA-N 0 0 290.363 3.248 10 5 CGBERN Cc1ccc(N2CCc3c(N)cccc3C2)c([N+](=O)[O-])c1 ZINC000038032984 292139534 /nfs/dbraw/zinc/13/95/34/292139534.db2.gz YDOQQOVYJBZFJD-UHFFFAOYSA-N 0 0 283.331 3.048 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1 ZINC000163322654 292282798 /nfs/dbraw/zinc/28/27/98/292282798.db2.gz NITRZZJUGNJODP-STQMWFEESA-N 0 0 290.363 3.411 10 5 CGBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000005618458 170120591 /nfs/dbraw/zinc/12/05/91/170120591.db2.gz YFHPHXIDVCEDBL-UHFFFAOYSA-N 0 0 280.667 3.402 10 5 CGBERN CC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005665457 170125579 /nfs/dbraw/zinc/12/55/79/170125579.db2.gz YASHMODQPXZSSB-ZETCQYMHSA-N 0 0 256.689 3.233 10 5 CGBERN CCCCCCONC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005951156 170161168 /nfs/dbraw/zinc/16/11/68/170161168.db2.gz VWPIHMPCIYGRNN-UHFFFAOYSA-N 0 0 281.312 3.228 10 5 CGBERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121092 171990505 /nfs/dbraw/zinc/99/05/05/171990505.db2.gz KPSWRGBKYUUGBT-AEJSXWLSSA-N 0 0 290.323 3.368 10 5 CGBERN CCCCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000035344573 172136395 /nfs/dbraw/zinc/13/63/95/172136395.db2.gz XMKBSINZHBQWNB-UHFFFAOYSA-N 0 0 251.311 3.417 10 5 CGBERN Cc1cc(F)ccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037213984 173033923 /nfs/dbraw/zinc/03/39/23/173033923.db2.gz IZJZMRWAEKYSPT-UHFFFAOYSA-N 0 0 250.229 3.247 10 5 CGBERN Cc1c(Oc2ccccc2CO)cccc1[N+](=O)[O-] ZINC000038081611 174090715 /nfs/dbraw/zinc/09/07/15/174090715.db2.gz NRUDWDUHVUYEFR-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN Cc1cccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040648524 174364917 /nfs/dbraw/zinc/36/49/17/174364917.db2.gz MLJWNKCZAGWNKH-UHFFFAOYSA-N 0 0 288.307 3.224 10 5 CGBERN COCc1ccccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119798 175533018 /nfs/dbraw/zinc/53/30/18/175533018.db2.gz QQQCAHIXBXIQBL-UHFFFAOYSA-N 0 0 290.294 3.492 10 5 CGBERN CC(C)C[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302025912 279209988 /nfs/dbraw/zinc/20/99/88/279209988.db2.gz HVQVVMYUCCRPGQ-CYBMUJFWSA-N 0 0 292.379 3.350 10 5 CGBERN O=[N+]([O-])c1cccc2nncc(Oc3ccccc3)c21 ZINC000098180465 280374455 /nfs/dbraw/zinc/37/44/55/280374455.db2.gz JIGIIQJIGJDXEC-UHFFFAOYSA-N 0 0 267.244 3.330 10 5 CGBERN Cc1cccc2oc(-c3ccc(N)c([N+](=O)[O-])c3)nc21 ZINC000038052693 281325656 /nfs/dbraw/zinc/32/56/56/281325656.db2.gz DARDZSFZXUJRNI-UHFFFAOYSA-N 0 0 269.260 3.294 10 5 CGBERN CCCCC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455378 520309020 /nfs/dbraw/zinc/30/90/20/520309020.db2.gz URZSOQWTFHUECE-QMMMGPOBSA-N 0 0 272.736 3.419 10 5 CGBERN CCc1ccccc1Oc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454588 521927637 /nfs/dbraw/zinc/92/76/37/521927637.db2.gz LUZDHEVLCXTOPR-UHFFFAOYSA-N 0 0 279.683 3.393 10 5 CGBERN O=[N+]([O-])c1ccccc1CCNc1ccc(F)cc1 ZINC000062726185 527399531 /nfs/dbraw/zinc/39/95/31/527399531.db2.gz HPUNJZXUOQNGOW-UHFFFAOYSA-N 0 0 260.268 3.389 10 5 CGBERN COc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000591991359 346953324 /nfs/dbraw/zinc/95/33/24/346953324.db2.gz FPDUXNZWPOMOGT-MVWJERBFSA-N 0 0 262.309 3.204 10 5 CGBERN COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1 ZINC000034550862 344940319 /nfs/dbraw/zinc/94/03/19/344940319.db2.gz BJQNGDRAUKDTNZ-UHFFFAOYSA-N 0 0 257.245 3.048 10 5 CGBERN Cc1ccc(C)c(COc2cc([N+](=O)[O-])ccc2N)c1 ZINC000035324477 344941812 /nfs/dbraw/zinc/94/18/12/344941812.db2.gz LTWHKOMPBNVASZ-UHFFFAOYSA-N 0 0 272.304 3.373 10 5 CGBERN N=C1SCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000059358094 345207247 /nfs/dbraw/zinc/20/72/47/345207247.db2.gz IUKRHFQEUKHRIH-UHFFFAOYSA-N 0 0 291.254 3.102 10 5 CGBERN Cc1cnc(CCNc2ccc([N+](=O)[O-])cc2C)s1 ZINC000080649660 345681282 /nfs/dbraw/zinc/68/12/82/345681282.db2.gz BVVBPBCEOLEVBI-UHFFFAOYSA-N 0 0 277.349 3.323 10 5 CGBERN O=[N+]([O-])c1cccc(OCCCCCCCCO)c1 ZINC000139060081 346099150 /nfs/dbraw/zinc/09/91/50/346099150.db2.gz VGPIKKRPTKZZTI-UHFFFAOYSA-N 0 0 267.325 3.307 10 5 CGBERN Nc1cc(F)c(Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000219650880 346295188 /nfs/dbraw/zinc/29/51/88/346295188.db2.gz QPQBBHKGPKILJX-UHFFFAOYSA-N 0 0 266.203 3.248 10 5 CGBERN O=C1NCc2c3c4ccccc4[nH]c3c3ccncc3c21 ZINC000216637111 346290334 /nfs/dbraw/zinc/29/03/34/346290334.db2.gz VHLLUZJGARCMCO-UHFFFAOYSA-N 0 0 273.295 3.113 10 5 CGBERN CSc1cc([N+](=O)[O-])c(F)cc1Br ZINC000306821627 346458029 /nfs/dbraw/zinc/45/80/29/346458029.db2.gz KYXNJGBDYVSMMI-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN O=[N+]([O-])c1cc(F)c(F)c(SC(F)(F)F)c1 ZINC000396116050 346579403 /nfs/dbraw/zinc/57/94/03/346579403.db2.gz JYTJRXOOHKAFGW-UHFFFAOYSA-N 0 0 259.155 3.485 10 5 CGBERN Cc1cc(OC(F)(F)F)c(Cl)c([N+](=O)[O-])c1 ZINC000396159447 346580130 /nfs/dbraw/zinc/58/01/30/346580130.db2.gz LYVVJXYNWISRFW-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN CNc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000584644068 346703439 /nfs/dbraw/zinc/70/34/39/346703439.db2.gz NDDWUOZUAAZAIB-UHFFFAOYSA-N 0 0 265.494 3.052 10 5 CGBERN O=C(CCC(F)(F)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000584635916 346700825 /nfs/dbraw/zinc/70/08/25/346700825.db2.gz PDSHABLNVOYBRY-UHFFFAOYSA-N 0 0 263.627 3.389 10 5 CGBERN Cc1nnc([C@H](C)Nc2cccc(F)c2[N+](=O)[O-])s1 ZINC000273439543 192150646 /nfs/dbraw/zinc/15/06/46/192150646.db2.gz BHSSDYJLCRRZNC-LURJTMIESA-N 0 0 282.300 3.067 10 5 CGBERN Cc1ccc(N(C)c2ccnc(Cl)n2)cc1[N+](=O)[O-] ZINC000091364278 180142101 /nfs/dbraw/zinc/14/21/01/180142101.db2.gz ISMYXLZBXGFGIN-UHFFFAOYSA-N 0 0 278.699 3.115 10 5 CGBERN Cc1cc(N[C@@H](C)Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000301442866 201010540 /nfs/dbraw/zinc/01/05/40/201010540.db2.gz POLLSCGUGJPNBU-NSHDSACASA-N 0 0 289.310 3.480 10 5 CGBERN CC1(C)CC[C@H](CNc2cc(F)ccc2[N+](=O)[O-])O1 ZINC000302824585 201567819 /nfs/dbraw/zinc/56/78/19/201567819.db2.gz XECZNYFPYHUXNT-SNVBAGLBSA-N 0 0 268.288 3.103 10 5 CGBERN COc1ccc(CN(C)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302857977 201577430 /nfs/dbraw/zinc/57/74/30/201577430.db2.gz NAPBKMPDOLTNPH-UHFFFAOYSA-N 0 0 290.294 3.379 10 5 CGBERN CC(=O)Oc1ccc2c3cc([N+](=O)[O-])oc3ccc2c1 ZINC000002021268 368443521 /nfs/dbraw/zinc/44/35/21/368443521.db2.gz SBYPTEFRZCCJLI-UHFFFAOYSA-N 0 0 271.228 3.420 10 5 CGBERN O=c1[nH]c2c(c3ccccc13)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000013652895 368659863 /nfs/dbraw/zinc/65/98/63/368659863.db2.gz UEMVQJCVVOFVCZ-UHFFFAOYSA-N 0 0 278.267 3.008 10 5 CGBERN Cc1cc(NCCCCC(F)(F)F)ncc1[N+](=O)[O-] ZINC000128952647 370967195 /nfs/dbraw/zinc/96/71/95/370967195.db2.gz WKYYKLJBOIAACN-UHFFFAOYSA-N 0 0 277.246 3.443 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1NCC1(C2CC2)CC1 ZINC000131277046 371095553 /nfs/dbraw/zinc/09/55/53/371095553.db2.gz GVTJHNHATFOXGC-UHFFFAOYSA-N 0 0 250.273 3.336 10 5 CGBERN CC[C@@H](NC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175187199 373426570 /nfs/dbraw/zinc/42/65/70/373426570.db2.gz YQZBXEMYIDXLSQ-CQSZACIVSA-N 0 0 291.351 3.288 10 5 CGBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000230185799 376493178 /nfs/dbraw/zinc/49/31/78/376493178.db2.gz KDSRUOQDXRQTSZ-WDEREUQCSA-N 0 0 281.381 3.384 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000231663780 376564502 /nfs/dbraw/zinc/56/45/02/376564502.db2.gz KXCBSJNCFKNNLM-GXSJLCMTSA-N 0 0 250.298 3.204 10 5 CGBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2CCC[C@@H]21 ZINC000408372592 284598899 /nfs/dbraw/zinc/59/88/99/284598899.db2.gz AZVFUITVGDARSQ-BMIGLBTASA-N 0 0 299.330 3.091 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)F)c(OC(F)(F)F)c1 ZINC000575345614 377884497 /nfs/dbraw/zinc/88/44/97/377884497.db2.gz FLDNYBLRQQSARJ-UHFFFAOYSA-N 0 0 257.114 3.431 10 5 CGBERN COc1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)(F)F ZINC000575666374 377943046 /nfs/dbraw/zinc/94/30/46/377943046.db2.gz KPPRPCNLBAEMNJ-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(C(C)=O)cc1C(F)F ZINC000575667152 377945131 /nfs/dbraw/zinc/94/51/31/377945131.db2.gz PCCPIURHYJMVIC-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN O=Cc1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575667355 377945572 /nfs/dbraw/zinc/94/55/72/377945572.db2.gz PUNVXXHWJKMLFP-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CC(=O)c1cc(C)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575679589 377953393 /nfs/dbraw/zinc/95/33/93/377953393.db2.gz ZSZDIDFONMQWEZ-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CCOC(=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000575396757 377903412 /nfs/dbraw/zinc/90/34/12/377903412.db2.gz FUZQYURLTXHWPG-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN CCOC(=O)Cc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000575396763 377903620 /nfs/dbraw/zinc/90/36/20/377903620.db2.gz YOIDVYSSLGTBQQ-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN O=Cc1cc(C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000575684670 377959393 /nfs/dbraw/zinc/95/93/93/377959393.db2.gz HLXSCURZCIIJFI-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=Cc1c(C(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000575688117 377963297 /nfs/dbraw/zinc/96/32/97/377963297.db2.gz XVXMCQUXHWIOHE-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCC3(CCOCC3)[C@H]2C)c1 ZINC000408198299 379998782 /nfs/dbraw/zinc/99/87/82/379998782.db2.gz LZXVRSSXWYCBCL-CYBMUJFWSA-N 0 0 290.363 3.299 10 5 CGBERN C[C@@H]1CC(CNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000281841190 393355293 /nfs/dbraw/zinc/35/52/93/393355293.db2.gz LKCSGFLCASOCHK-GHMZBOCLSA-N 0 0 264.325 3.210 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2CCC[C@H]21 ZINC000408362759 296500685 /nfs/dbraw/zinc/50/06/85/296500685.db2.gz QYDLRICVMGDRTJ-PSASIEDQSA-N 0 0 267.716 3.022 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1N1CCc2sccc2C1 ZINC000302871541 296505956 /nfs/dbraw/zinc/50/59/56/296505956.db2.gz ZGCJTJUQOVCFFH-UHFFFAOYSA-N 0 0 278.308 3.358 10 5 CGBERN Cc1ccc(N2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301472048 397674413 /nfs/dbraw/zinc/67/44/13/397674413.db2.gz KMOAQJOEGCYQRW-QWRGUYRKSA-N 0 0 266.366 3.233 10 5 CGBERN O=[N+]([O-])c1ccc(NCCC2CC2)c2cccnc21 ZINC000088459474 165195548 /nfs/dbraw/zinc/19/55/48/165195548.db2.gz VFOGRTCTYSXBFS-UHFFFAOYSA-N 0 0 257.293 3.355 10 5 CGBERN CC[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006393861 170197515 /nfs/dbraw/zinc/19/75/15/170197515.db2.gz OBAXIJJYYLYZBG-PLSXKVAHSA-N 0 0 288.347 3.399 10 5 CGBERN Cc1ccccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035183803 172037658 /nfs/dbraw/zinc/03/76/58/172037658.db2.gz UBOAFKRUQBKXTP-UHFFFAOYSA-N 0 0 271.272 3.165 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000035207734 172052793 /nfs/dbraw/zinc/05/27/93/172052793.db2.gz RMARETDTEMFMLD-VIFPVBQESA-N 0 0 257.293 3.353 10 5 CGBERN C[C@@H](O)c1ccc(N(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000035631304 172313463 /nfs/dbraw/zinc/31/34/63/172313463.db2.gz OSMCNYJCNIMWOK-LLVKDONJSA-N 0 0 278.352 3.417 10 5 CGBERN Cc1c(O)cccc1OCc1ccccc1[N+](=O)[O-] ZINC000036896612 172787769 /nfs/dbraw/zinc/78/77/69/172787769.db2.gz BOALERUVODMJDW-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN C[C@@H](O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080269 174090219 /nfs/dbraw/zinc/09/02/19/174090219.db2.gz LEWVGQKPHSLZDF-SNVBAGLBSA-N 0 0 259.261 3.440 10 5 CGBERN C[C@@H](O)c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080642 174090733 /nfs/dbraw/zinc/09/07/33/174090733.db2.gz BJEBVWIVMXKMBM-SNVBAGLBSA-N 0 0 259.261 3.440 10 5 CGBERN CCC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302823856 278653165 /nfs/dbraw/zinc/65/31/65/278653165.db2.gz VSRRGMKQBOKZBO-UHFFFAOYSA-N 0 0 252.289 3.360 10 5 CGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccsc1 ZINC000103377032 280023862 /nfs/dbraw/zinc/02/38/62/280023862.db2.gz JGIRMHOWKMKRDC-VIFPVBQESA-N 0 0 288.328 3.248 10 5 CGBERN CC[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302794773 280279318 /nfs/dbraw/zinc/27/93/18/280279318.db2.gz JECRATWKDYITLB-SNVBAGLBSA-N 0 0 252.289 3.360 10 5 CGBERN CC(C)(C)c1cc(=S)n(-c2ccccc2[N+](=O)[O-])[nH]1 ZINC000052304772 519004926 /nfs/dbraw/zinc/00/49/26/519004926.db2.gz YZGNSVQVIRBMQT-UHFFFAOYSA-N 0 0 277.349 3.367 10 5 CGBERN Cc1cccc(OCc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000050830977 524766198 /nfs/dbraw/zinc/76/61/98/524766198.db2.gz BWCAMJWLXVDASZ-UHFFFAOYSA-N 0 0 258.277 3.064 10 5 CGBERN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000052290900 525332152 /nfs/dbraw/zinc/33/21/52/525332152.db2.gz BOJAKKPSNFWFAV-MUWHJKNJSA-N 0 0 260.215 3.434 10 5 CGBERN C[C@@H]1[C@@H](C)CCCN1c1nc(Cl)ccc1[N+](=O)[O-] ZINC000050568095 525645108 /nfs/dbraw/zinc/64/51/08/525645108.db2.gz XRMOVVWNECHWHL-DTWKUNHWSA-N 0 0 269.732 3.268 10 5 CGBERN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000214727819 525721406 /nfs/dbraw/zinc/72/14/06/525721406.db2.gz RVGXJPACNYTQSI-YGRLFVJLSA-N 0 0 287.319 3.122 10 5 CGBERN CCS[C@@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074768546 529221946 /nfs/dbraw/zinc/22/19/46/529221946.db2.gz APMSUMJNWHWGRQ-WDEREUQCSA-N 0 0 281.381 3.384 10 5 CGBERN C[C@@H](Nc1cccc(F)n1)c1ccccc1[N+](=O)[O-] ZINC000163816937 626084640 /nfs/dbraw/zinc/08/46/40/626084640.db2.gz BOOUDCXNKWHMAQ-SECBINFHSA-N 0 0 261.256 3.302 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC000588436222 799693742 /nfs/dbraw/zinc/69/37/42/799693742.db2.gz UARWPJAZMZRRIY-QXMHVHEDSA-N 0 0 288.347 3.447 10 5 CGBERN O=[N+]([O-])c1cccnc1Oc1ccccc1Cl ZINC000007185702 344866877 /nfs/dbraw/zinc/86/68/77/344866877.db2.gz WGJRXZJMFYIJQT-UHFFFAOYSA-N 0 0 250.641 3.436 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1COC ZINC000080653427 345681922 /nfs/dbraw/zinc/68/19/22/345681922.db2.gz GQZUMMJENKJPCS-QMTHXVAHSA-N 0 0 264.325 3.342 10 5 CGBERN COC(=O)Cc1c(F)c([N+](=O)[O-])ccc1-c1ccccc1 ZINC000136215283 346090058 /nfs/dbraw/zinc/09/00/58/346090058.db2.gz FSELRYOLKXRMRS-UHFFFAOYSA-N 0 0 289.262 3.116 10 5 CGBERN CCOC(=O)Cc1c(Cl)ccc(Cl)c1[N+](=O)[O-] ZINC000166791479 346187729 /nfs/dbraw/zinc/18/77/29/346187729.db2.gz YYEBYAJJHIGPIE-UHFFFAOYSA-N 0 0 278.091 3.007 10 5 CGBERN O=[N+]([O-])c1c(F)c(C(F)F)ccc1Br ZINC000306732160 346457030 /nfs/dbraw/zinc/45/70/30/346457030.db2.gz HBTPQOUSDTYYMD-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN O=[N+]([O-])c1cc(CO)c(C(F)(F)F)cc1C(F)(F)F ZINC000514282045 346637950 /nfs/dbraw/zinc/63/79/50/346637950.db2.gz PIJLOQJCDYATGT-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CO[C@@H](C[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000584593117 346686389 /nfs/dbraw/zinc/68/63/89/346686389.db2.gz GMTGQOKHTDFJIB-INIZCTEOSA-N 0 0 287.315 3.230 10 5 CGBERN O=[N+]([O-])c1ccc(Sc2cc(O)ccc2O)cc1 ZINC000584621644 346695962 /nfs/dbraw/zinc/69/59/62/346695962.db2.gz GTVOKTAGNUKTIZ-UHFFFAOYSA-N 0 0 263.274 3.157 10 5 CGBERN C[C@@H]1CC(CNc2ccsc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000619589769 349261498 /nfs/dbraw/zinc/26/14/98/349261498.db2.gz LNMRIRDGBYLJIA-RKDXNWHRSA-N 0 0 270.354 3.272 10 5 CGBERN C[C@@H](O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 ZINC000111573597 186428423 /nfs/dbraw/zinc/42/84/23/186428423.db2.gz YXIGUEALFDXWLR-SECBINFHSA-N 0 0 276.317 3.194 10 5 CGBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)o1 ZINC000161506950 188531846 /nfs/dbraw/zinc/53/18/46/188531846.db2.gz ZQVDGDUDIGSYOM-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN COc1cc(C=O)ccc1O/C=C\c1ccc([N+](=O)[O-])o1 ZINC000033376475 368963054 /nfs/dbraw/zinc/96/30/54/368963054.db2.gz SOGWACSPDWWJSR-SREVYHEPSA-N 0 0 289.243 3.059 10 5 CGBERN COCCC(C)(C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000228723545 189794733 /nfs/dbraw/zinc/79/47/33/189794733.db2.gz XUSQODJSSAFFDF-UHFFFAOYSA-N 0 0 270.304 3.209 10 5 CGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000117578409 370595690 /nfs/dbraw/zinc/59/56/90/370595690.db2.gz HNGVQAIRPBHNJE-ZUZCIYMTSA-N 0 0 298.298 3.098 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2ccnc(Cl)c2)cc1 ZINC000129849477 371004264 /nfs/dbraw/zinc/00/42/64/371004264.db2.gz CYYQUXFDYLHJHS-UHFFFAOYSA-N 0 0 263.684 3.255 10 5 CGBERN O=[N+]([O-])c1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000221261955 376214883 /nfs/dbraw/zinc/21/48/83/376214883.db2.gz FXJGDAXNQKZKSB-UHFFFAOYSA-N 0 0 257.171 3.004 10 5 CGBERN O=C[C@@H](Cc1cccc(Cl)c1)[C@H](C[N+](=O)[O-])C1CC1 ZINC000225862858 376331339 /nfs/dbraw/zinc/33/13/39/376331339.db2.gz OBCOGRWRJNYHTL-TZMCWYRMSA-N 0 0 281.739 3.001 10 5 CGBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000227760071 376409371 /nfs/dbraw/zinc/40/93/71/376409371.db2.gz FSBMBSLSKGTYLB-ONGXEEELSA-N 0 0 268.288 3.103 10 5 CGBERN Cc1cnc([C@H](C)Nc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000226547036 376362905 /nfs/dbraw/zinc/36/29/05/376362905.db2.gz OYFOCUHEALUESB-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN O=[N+]([O-])c1c(C(F)(F)F)cc(CO)cc1C(F)(F)F ZINC000575379325 377891049 /nfs/dbraw/zinc/89/10/49/377891049.db2.gz FZWILSGYUJDOML-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CCOc1cc(OC(F)F)c([N+](=O)[O-])cc1CC ZINC000575654544 377931879 /nfs/dbraw/zinc/93/18/79/377931879.db2.gz BYIZCDSMEUDPSN-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN CCOc1ccc(CC)c([N+](=O)[O-])c1OC(F)F ZINC000575656353 377933860 /nfs/dbraw/zinc/93/38/60/377933860.db2.gz QVWIPKUUVKNIQN-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1c(F)cc(C(F)(F)F)cc1OC(F)F ZINC000575661160 377936964 /nfs/dbraw/zinc/93/69/64/377936964.db2.gz KMRNQYPNYGESRH-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN CCOc1cc(C(F)F)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575666834 377944142 /nfs/dbraw/zinc/94/41/42/377944142.db2.gz MVOYUUFBJOBRLX-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN CC(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1OC(F)F ZINC000575667525 377945297 /nfs/dbraw/zinc/94/52/97/377945297.db2.gz OLLRQXUIMIDEEM-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN CC(=O)c1cc(OC(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000575679529 377952553 /nfs/dbraw/zinc/95/25/53/377952553.db2.gz WBPVGPMBZLUODS-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CC(=O)c1cc([N+](=O)[O-])c(OC(F)(F)F)cc1C ZINC000575679565 377952942 /nfs/dbraw/zinc/95/29/42/377952942.db2.gz XZNPAMHKZKHLFT-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN CCc1cc(Br)c([N+](=O)[O-])c(CC)c1 ZINC000575680507 377954761 /nfs/dbraw/zinc/95/47/61/377954761.db2.gz LJHRQNXYEROBLX-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(Br)c1C(F)F ZINC000575684264 377959480 /nfs/dbraw/zinc/95/94/80/377959480.db2.gz DNAJYTVWZMHYLS-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN COc1c(Br)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575685270 377960366 /nfs/dbraw/zinc/96/03/66/377960366.db2.gz KDTYESUUAYXMCM-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCOc1cc(OC)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575699412 377971150 /nfs/dbraw/zinc/97/11/50/377971150.db2.gz VUMOTVDUCSQYBI-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1COc2ccccc21 ZINC000129788436 285093184 /nfs/dbraw/zinc/09/31/84/285093184.db2.gz DLZBLWVTENVREX-JTQLQIEISA-N 0 0 291.694 3.189 10 5 CGBERN Cc1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000182583760 392748278 /nfs/dbraw/zinc/74/82/78/392748278.db2.gz JDKQISIJIUVVSL-LBPRGKRZSA-N 0 0 290.319 3.226 10 5 CGBERN C[C@@H]1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000196208536 392975880 /nfs/dbraw/zinc/97/58/80/392975880.db2.gz OGCUASVESUFADR-BONVTDFDSA-N 0 0 269.304 3.370 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2COc3ccccc32)c1 ZINC000094659702 292290019 /nfs/dbraw/zinc/29/00/19/292290019.db2.gz BWUKNNRQNZRWOA-CYBMUJFWSA-N 0 0 270.288 3.449 10 5 CGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000077208306 165114040 /nfs/dbraw/zinc/11/40/40/165114040.db2.gz YFQWLFSHCUYESG-ZANVPECISA-N 0 0 284.743 3.211 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCCC[C@@H]1O ZINC000086015228 165183112 /nfs/dbraw/zinc/18/31/12/165183112.db2.gz VHVWBPDHLSZUFD-ZANVPECISA-N 0 0 284.743 3.211 10 5 CGBERN Cc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000005214225 170076487 /nfs/dbraw/zinc/07/64/87/170076487.db2.gz IGTAAKDVLAVIRN-CMDGGOBGSA-N 0 0 272.260 3.148 10 5 CGBERN CCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005614693 170120158 /nfs/dbraw/zinc/12/01/58/170120158.db2.gz JWNKCHPRFWZEOD-UHFFFAOYSA-N 0 0 256.689 3.377 10 5 CGBERN O=C(/C=C/c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005671657 170126508 /nfs/dbraw/zinc/12/65/08/170126508.db2.gz CTRXXMSTIOEFMZ-XCVCLJGOSA-N 0 0 286.262 3.386 10 5 CGBERN CC[C@H](CO)n1c2ccc([N+](=O)[O-])cc2nc1C(C)C ZINC000005928846 170156342 /nfs/dbraw/zinc/15/63/42/170156342.db2.gz UWDGPKCYJCJOAG-SNVBAGLBSA-N 0 0 277.324 3.011 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000007903826 170306671 /nfs/dbraw/zinc/30/66/71/170306671.db2.gz RLQNFSCFOGMEAY-QMMMGPOBSA-N 0 0 277.236 3.269 10 5 CGBERN C[C@@H]1CCC[C@H](C)N1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998171 170394323 /nfs/dbraw/zinc/39/43/23/170394323.db2.gz ZUDNETGFEAPEMH-TXEJJXNPSA-N 0 0 276.336 3.040 10 5 CGBERN O=[N+]([O-])c1ccccc1CNCc1nc2ccccc2s1 ZINC000020136372 171023987 /nfs/dbraw/zinc/02/39/87/171023987.db2.gz SXZXUCMFDSCODH-UHFFFAOYSA-N 0 0 299.355 3.494 10 5 CGBERN Nc1ccc(C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000022011809 171349100 /nfs/dbraw/zinc/34/91/00/171349100.db2.gz SSLVPZCAZKCYMX-UHFFFAOYSA-N 0 0 276.679 3.061 10 5 CGBERN O=[N+]([O-])c1c2ncsc2ccc1NCC(F)(F)F ZINC000035060793 171961960 /nfs/dbraw/zinc/96/19/60/171961960.db2.gz IHBUHXSKUBGEGF-UHFFFAOYSA-N 0 0 277.227 3.179 10 5 CGBERN C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000035134886 172001478 /nfs/dbraw/zinc/00/14/78/172001478.db2.gz JJYRSELOGWALDF-QMMMGPOBSA-N 0 0 294.694 3.332 10 5 CGBERN CN[C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000035464012 172211884 /nfs/dbraw/zinc/21/18/84/172211884.db2.gz OWUSLNRYJIYWHO-GFCCVEGCSA-N 0 0 266.684 3.150 10 5 CGBERN CCC[C@@H](C)N(C)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000036791200 172710644 /nfs/dbraw/zinc/71/06/44/172710644.db2.gz YHXMSUXBBMKUCF-GHMZBOCLSA-N 0 0 266.341 3.273 10 5 CGBERN Nc1ccc(SCc2ccccc2[N+](=O)[O-])cc1 ZINC000037182509 173014470 /nfs/dbraw/zinc/01/44/70/173014470.db2.gz KETQXUZZAAESES-UHFFFAOYSA-N 0 0 260.318 3.469 10 5 CGBERN COc1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000038079205 174089220 /nfs/dbraw/zinc/08/92/20/174089220.db2.gz OGHMMWZJOITJRT-UHFFFAOYSA-N 0 0 277.301 3.460 10 5 CGBERN CNc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040595677 174348631 /nfs/dbraw/zinc/34/86/31/174348631.db2.gz CEBQSESXLXFMAM-UHFFFAOYSA-N 0 0 295.302 3.323 10 5 CGBERN Cc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040648980 174364894 /nfs/dbraw/zinc/36/48/94/174364894.db2.gz YNXDNLFVQWYWBE-UHFFFAOYSA-N 0 0 288.307 3.224 10 5 CGBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1NC1CCCC1 ZINC000040647958 174364994 /nfs/dbraw/zinc/36/49/94/174364994.db2.gz ONQGWOKAFAOJGI-UHFFFAOYSA-N 0 0 299.334 3.483 10 5 CGBERN COc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000072237735 176346474 /nfs/dbraw/zinc/34/64/74/176346474.db2.gz SPMXJWVTMCWGEU-UHFFFAOYSA-N 0 0 296.286 3.056 10 5 CGBERN CC(C)(C)[C@H](O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000324567900 270094508 /nfs/dbraw/zinc/09/45/08/270094508.db2.gz VUEXGJYMVDNEGT-SNVBAGLBSA-N 0 0 272.732 3.067 10 5 CGBERN CC(C)(C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111677938 277208651 /nfs/dbraw/zinc/20/86/51/277208651.db2.gz GBSQFXHHPRSEBL-UHFFFAOYSA-N 0 0 257.673 3.204 10 5 CGBERN CC1(Nc2ncnc(Cl)c2[N+](=O)[O-])CCCCC1 ZINC000050455860 520770304 /nfs/dbraw/zinc/77/03/04/520770304.db2.gz OAGPHLDEIQXETH-UHFFFAOYSA-N 0 0 270.720 3.173 10 5 CGBERN Cc1cc(CO)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000050561820 524794252 /nfs/dbraw/zinc/79/42/52/524794252.db2.gz XICAFUSJZCXIBH-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454884 525647101 /nfs/dbraw/zinc/64/71/01/525647101.db2.gz WLVUUVYQLBWOES-YIZRAAEISA-N 0 0 284.747 3.275 10 5 CGBERN C[C@@H](Nc1ncnc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000061370956 525731958 /nfs/dbraw/zinc/73/19/58/525731958.db2.gz ZNYQXJBEPCVCSJ-ZCFIWIBFSA-N 0 0 284.728 3.273 10 5 CGBERN Cc1nc(-c2cc([N+](=O)[O-])ccc2C)sc1[C@H](C)O ZINC000050441305 526563431 /nfs/dbraw/zinc/56/34/31/526563431.db2.gz AYSHGXXXSOKVSY-VIFPVBQESA-N 0 0 278.333 3.388 10 5 CGBERN Cc1sc(C(=O)N2CCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000102878223 526872390 /nfs/dbraw/zinc/87/23/90/526872390.db2.gz VNIKYNBMNBDIIY-NSHDSACASA-N 0 0 294.376 3.369 10 5 CGBERN CC(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633052 618214254 /nfs/dbraw/zinc/21/42/54/618214254.db2.gz RPMFRLOEWNEGDC-LLVKDONJSA-N 0 0 296.754 3.049 10 5 CGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)/C=C/c1ccco1 ZINC000103377580 626335848 /nfs/dbraw/zinc/33/58/48/626335848.db2.gz JIRFDFKWFQUJIM-ZRQQLDRUSA-N 0 0 298.298 3.179 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000125208797 634655760 /nfs/dbraw/zinc/65/57/60/634655760.db2.gz MLKAHUMHBCLTIJ-KWQFWETISA-N 0 0 299.710 3.030 10 5 CGBERN CC(=O)c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000078371581 345604445 /nfs/dbraw/zinc/60/44/45/345604445.db2.gz LZVFQLUUUMZWGT-ZIAGYGMSSA-N 0 0 286.331 3.200 10 5 CGBERN Cc1ccc([C@@](C)(O)CNc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000080649222 345681502 /nfs/dbraw/zinc/68/15/02/345681502.db2.gz GZYHPWOFRKCDJB-HNNXBMFYSA-N 0 0 290.319 3.124 10 5 CGBERN Nc1nc(N)c2c3ccccc3c3ccccc3c2n1 ZINC000140248809 346103849 /nfs/dbraw/zinc/10/38/49/346103849.db2.gz VZKNWUMSJBIMMC-UHFFFAOYSA-N 0 0 260.300 3.101 10 5 CGBERN COc1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000146711597 346124408 /nfs/dbraw/zinc/12/44/08/346124408.db2.gz YWARDFZKZXBCQM-UHFFFAOYSA-N 0 0 287.319 3.127 10 5 CGBERN Cc1c(Br)ccc(Cl)c1[N+](=O)[O-] ZINC000223874896 346301633 /nfs/dbraw/zinc/30/16/33/346301633.db2.gz QCOCMMMEDDOYPW-UHFFFAOYSA-N 0 0 250.479 3.319 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)ccc1I ZINC000238700421 346350256 /nfs/dbraw/zinc/35/02/56/346350256.db2.gz WKPJIQDKURKFFS-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN CSc1cc([N+](=O)[O-])c(Br)cc1C ZINC000306838266 346458200 /nfs/dbraw/zinc/45/82/00/346458200.db2.gz XADIGEODCSEGCU-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(I)c1Cl ZINC000307248015 346460942 /nfs/dbraw/zinc/46/09/42/346460942.db2.gz AJKVWTYMDSVDRW-UHFFFAOYSA-N 0 0 297.479 3.161 10 5 CGBERN C[C@@H]1OCC[C@@H]1Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000311789377 346474776 /nfs/dbraw/zinc/47/47/76/346474776.db2.gz FGUOKKIVRVFRHJ-CBAPKCEASA-N 0 0 272.251 3.122 10 5 CGBERN Cc1nc2cc3nc4ccccc4nc3cc2nc1C ZINC000584652457 346704951 /nfs/dbraw/zinc/70/49/51/346704951.db2.gz MANHBUITBQXFJZ-UHFFFAOYSA-N 0 0 260.300 3.343 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(Cc3cccc(F)c3)nc2c1 ZINC000090558583 180004997 /nfs/dbraw/zinc/00/49/97/180004997.db2.gz ACCYZSABSAXOQL-UHFFFAOYSA-N 0 0 271.251 3.201 10 5 CGBERN C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000359934549 233398380 /nfs/dbraw/zinc/39/83/80/233398380.db2.gz SUPMMYXVIOKUMP-JGPRNRPPSA-N 0 0 282.315 3.349 10 5 CGBERN C[C@@H]1CC(Nc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000123142620 187073637 /nfs/dbraw/zinc/07/36/37/187073637.db2.gz FQLRSQJCFXXRSO-RKDXNWHRSA-N 0 0 268.288 3.102 10 5 CGBERN CC(C)COCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132302562 187619751 /nfs/dbraw/zinc/61/97/51/187619751.db2.gz SPPBLZCXLNMLLO-UHFFFAOYSA-N 0 0 272.732 3.333 10 5 CGBERN Cc1cc(N[C@H](CO)c2ccco2)c(Cl)cc1[N+](=O)[O-] ZINC000301474937 201021494 /nfs/dbraw/zinc/02/14/94/201021494.db2.gz NELLLZQNKFEPGX-LLVKDONJSA-N 0 0 296.710 3.295 10 5 CGBERN C/C(=C\c1c[nH]c2ccc3c(c12)CCCO3)[N+](=O)[O-] ZINC000038273181 369145212 /nfs/dbraw/zinc/14/52/12/369145212.db2.gz QHRZANVRJMLVHW-VQHVLOKHSA-N 0 0 258.277 3.130 10 5 CGBERN COc1ccc([N+](=O)[O-])c2cc(C)c(Cl)nc12 ZINC000063116200 369640484 /nfs/dbraw/zinc/64/04/84/369640484.db2.gz GYCZGXNFSJRYNF-UHFFFAOYSA-N 0 0 252.657 3.113 10 5 CGBERN COc1cc(N[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000104250598 370341911 /nfs/dbraw/zinc/34/19/11/370341911.db2.gz ULVNSQNEAOPDSB-SECBINFHSA-N 0 0 262.265 3.370 10 5 CGBERN C/C=C/CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000131349486 371101384 /nfs/dbraw/zinc/10/13/84/371101384.db2.gz OPEIDAMAXFRRFS-NSCUHMNNSA-N 0 0 286.129 3.130 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000132728552 371197511 /nfs/dbraw/zinc/19/75/11/371197511.db2.gz AEFIVNIGSWITBM-RISCZKNCSA-N 0 0 293.319 3.077 10 5 CGBERN CCc1ccc(CNc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000220204626 376207438 /nfs/dbraw/zinc/20/74/38/376207438.db2.gz FOKLNDRUBRMNRQ-UHFFFAOYSA-N 0 0 271.320 3.473 10 5 CGBERN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cn2)cs1 ZINC000301161601 373678815 /nfs/dbraw/zinc/67/88/15/373678815.db2.gz GBIFNHZAJPJECW-UHFFFAOYSA-N 0 0 278.337 3.182 10 5 CGBERN CCC[C@@]1(COC)CCCN1c1ccccc1[N+](=O)[O-] ZINC000302803617 373969459 /nfs/dbraw/zinc/96/94/59/373969459.db2.gz DNWQXLGYFDHKTD-HNNXBMFYSA-N 0 0 278.352 3.380 10 5 CGBERN COc1cnccc1-c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000215975114 376153649 /nfs/dbraw/zinc/15/36/49/376153649.db2.gz RTVZAJWALICLJH-UHFFFAOYSA-N 0 0 288.303 3.453 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000227759925 376410015 /nfs/dbraw/zinc/41/00/15/376410015.db2.gz UEBMMNCCFYUJLI-VXGBXAGGSA-N 0 0 264.325 3.273 10 5 CGBERN CCOc1cc(N[C@H]2C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000226570543 376364459 /nfs/dbraw/zinc/36/44/59/376364459.db2.gz VBLWXEAPIKXTCR-KOLCDFICSA-N 0 0 250.298 3.204 10 5 CGBERN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000227014902 376376847 /nfs/dbraw/zinc/37/68/47/376376847.db2.gz VJGODVIKIXNYKA-SKDRFNHKSA-N 0 0 257.293 3.353 10 5 CGBERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000235209882 376633557 /nfs/dbraw/zinc/63/35/57/376633557.db2.gz WHAHXGAZUPBVHO-SNVBAGLBSA-N 0 0 261.281 3.373 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)cc(C(F)(F)F)c1 ZINC000575338390 377881379 /nfs/dbraw/zinc/88/13/79/377881379.db2.gz RHNPMLXVNSWXOI-UHFFFAOYSA-N 0 0 257.114 3.215 10 5 CGBERN O=Cc1ccc(OC(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575664968 377941030 /nfs/dbraw/zinc/94/10/30/377941030.db2.gz AVVWDCWWEAEZOZ-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575666826 377944306 /nfs/dbraw/zinc/94/43/06/377944306.db2.gz LCEZLYKWGBJHKJ-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)cc(OC(F)F)c1Cl ZINC000575677015 377951898 /nfs/dbraw/zinc/95/18/98/377951898.db2.gz PMXBDGLTLISECJ-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN CCc1ccc([N+](=O)[O-])c(CC)c1Br ZINC000575679829 377953760 /nfs/dbraw/zinc/95/37/60/377953760.db2.gz FIFDENPOXXETFV-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN CCc1ccc(CC)c([N+](=O)[O-])c1Br ZINC000575679622 377953980 /nfs/dbraw/zinc/95/39/80/377953980.db2.gz BIGJXRNLOZBCGP-UHFFFAOYSA-N 0 0 258.115 3.482 10 5 CGBERN O=[N+]([O-])c1cc(Br)c(Cl)nc1Cl ZINC000575434239 377908690 /nfs/dbraw/zinc/90/86/90/377908690.db2.gz JLAPXEVMWKIGMO-UHFFFAOYSA-N 0 0 271.885 3.059 10 5 CGBERN O=Cc1cc(Br)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575683884 377958086 /nfs/dbraw/zinc/95/80/86/377958086.db2.gz BBCRRTSALQSGDH-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN COc1cc(Br)cc(C(F)F)c1[N+](=O)[O-] ZINC000575687067 377961973 /nfs/dbraw/zinc/96/19/73/377961973.db2.gz UBBMTOIEWSYNKW-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CC(=O)c1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000575693539 377968433 /nfs/dbraw/zinc/96/84/33/377968433.db2.gz ACAIIARLOBPHJV-UHFFFAOYSA-N 0 0 267.590 3.470 10 5 CGBERN CCc1c(SC(F)(F)F)cc(O)cc1[N+](=O)[O-] ZINC000575704922 377978083 /nfs/dbraw/zinc/97/80/83/377978083.db2.gz CPDOKHDIUJZLEC-UHFFFAOYSA-N 0 0 267.228 3.475 10 5 CGBERN CCc1c(SC(F)(F)F)cc(CO)cc1[N+](=O)[O-] ZINC000575706814 377979121 /nfs/dbraw/zinc/97/91/21/377979121.db2.gz WRMBHIDDGTZNFE-UHFFFAOYSA-N 0 0 281.255 3.261 10 5 CGBERN COC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1Cl ZINC000575713133 377982595 /nfs/dbraw/zinc/98/25/95/377982595.db2.gz PSHUEWSRUKBDCT-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=[N+]([O-])c1sc(Br)cc1Br ZINC000097758961 285191001 /nfs/dbraw/zinc/19/10/01/285191001.db2.gz RQCAGOBHFYBFNT-UHFFFAOYSA-N 0 0 286.932 3.181 10 5 CGBERN CCC1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000048346364 391996454 /nfs/dbraw/zinc/99/64/54/391996454.db2.gz SNKPAVXGCFHDLS-UHFFFAOYSA-N 0 0 291.351 3.074 10 5 CGBERN Cc1cc(N2CC[C@@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC000301414705 392590077 /nfs/dbraw/zinc/59/00/77/392590077.db2.gz BEPHFCOLFHHNMW-NWDGAFQWSA-N 0 0 261.325 3.067 10 5 CGBERN C[C@H]1CC(CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000281841194 393356717 /nfs/dbraw/zinc/35/67/17/393356717.db2.gz LKCSGFLCASOCHK-QWRGUYRKSA-N 0 0 264.325 3.210 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccco2)n1 ZINC000178227434 292286042 /nfs/dbraw/zinc/28/60/42/292286042.db2.gz CBMFGZKZYUQARX-LLVKDONJSA-N 0 0 273.292 3.233 10 5 CGBERN O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCCC[C@H]1O ZINC000086016415 165181179 /nfs/dbraw/zinc/18/11/79/165181179.db2.gz MFNAMECMMKFTQX-JOYOIKCWSA-N 0 0 284.743 3.211 10 5 CGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccccc1 ZINC000005745189 170136405 /nfs/dbraw/zinc/13/64/05/170136405.db2.gz JZCIYRGWAWUOJR-UHFFFAOYSA-N 0 0 288.259 3.214 10 5 CGBERN Cc1cccc(Sc2c(C)c[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000005892728 170151060 /nfs/dbraw/zinc/15/10/60/170151060.db2.gz YSMQDOIOUVYOKJ-UHFFFAOYSA-N 0 0 276.317 3.051 10 5 CGBERN COc1ccc(NCCc2cccs2)c([N+](=O)[O-])c1 ZINC000021049028 171294969 /nfs/dbraw/zinc/29/49/69/171294969.db2.gz ACEQUYBGUKTIGZ-UHFFFAOYSA-N 0 0 278.333 3.320 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C/c2ncc3ccccn23)cc1 ZINC000033724587 171819189 /nfs/dbraw/zinc/81/91/89/171819189.db2.gz PPKFNKPHCXZNCG-RMKNXTFCSA-N 0 0 265.272 3.413 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccncc1 ZINC000035693807 172362326 /nfs/dbraw/zinc/36/23/26/172362326.db2.gz BTQGCZANHDGEKY-LLVKDONJSA-N 0 0 257.293 3.471 10 5 CGBERN Cc1ccc(NCc2ccc([N+](=O)[O-])o2)c(F)c1 ZINC000037243891 173059029 /nfs/dbraw/zinc/05/90/29/173059029.db2.gz CGKIDUKEDGUGEX-UHFFFAOYSA-N 0 0 250.229 3.247 10 5 CGBERN CO[C@@H]1CCCC[C@H]1Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037298703 173102876 /nfs/dbraw/zinc/10/28/76/173102876.db2.gz VRVDSAYQYBHEEX-TZMCWYRMSA-N 0 0 264.325 3.273 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)c(Cn2cc(Cl)cn2)c1 ZINC000038053448 174065358 /nfs/dbraw/zinc/06/53/58/174065358.db2.gz APMFXFPAKBPQTC-UHFFFAOYSA-N 0 0 272.091 3.146 10 5 CGBERN O=[N+]([O-])c1ccccc1Oc1ccc(F)cc1CO ZINC000038080630 174089868 /nfs/dbraw/zinc/08/98/68/174089868.db2.gz JVJKATHNGATYIF-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN CNc1ncnc(Oc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040595569 174348485 /nfs/dbraw/zinc/34/84/85/174348485.db2.gz CNPKPDQUXLQGGS-UHFFFAOYSA-N 0 0 288.307 3.342 10 5 CGBERN CCOc1ncnc(Oc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040659628 174365975 /nfs/dbraw/zinc/36/59/75/174365975.db2.gz KEPTVYQJWDRNIO-UHFFFAOYSA-N 0 0 289.291 3.138 10 5 CGBERN CC(C)[C@H](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000067795776 175792138 /nfs/dbraw/zinc/79/21/38/175792138.db2.gz HYHARDGKKSTEPA-LLVKDONJSA-N 0 0 276.336 3.166 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c([C@H](F)C(F)(F)F)nc2c1 ZINC000072265955 176352022 /nfs/dbraw/zinc/35/20/22/176352022.db2.gz ZVTHOKZXGQYNIT-ZETCQYMHSA-N 0 0 263.150 3.044 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1cccc(OC)c1[N+](=O)[O-] ZINC000228854443 270088139 /nfs/dbraw/zinc/08/81/39/270088139.db2.gz SABAKOSJCDRTPE-GXSJLCMTSA-N 0 0 250.298 3.204 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251059067 278746260 /nfs/dbraw/zinc/74/62/60/278746260.db2.gz WUVQMBTTZGUNME-XJKSGUPXSA-N 0 0 290.363 3.035 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1CCc2c(N)cccc2C1 ZINC000038032975 280661912 /nfs/dbraw/zinc/66/19/12/280661912.db2.gz QESQZNICFHIGTH-UHFFFAOYSA-N 0 0 283.331 3.048 10 5 CGBERN CC(C)C[C@@H](C)OCc1cc([N+](=O)[O-])ccc1N ZINC000050831989 519774040 /nfs/dbraw/zinc/77/40/40/519774040.db2.gz CLHOYSYSFSRTEX-SNVBAGLBSA-N 0 0 252.314 3.128 10 5 CGBERN CCCC(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102638805 519882908 /nfs/dbraw/zinc/88/29/08/519882908.db2.gz WBTHUPODTQZHSI-UHFFFAOYSA-N 0 0 289.335 3.385 10 5 CGBERN CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1N ZINC000052840263 521376736 /nfs/dbraw/zinc/37/67/36/521376736.db2.gz UQGOWPATTCSNOI-UHFFFAOYSA-N 0 0 271.320 3.204 10 5 CGBERN CCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840292 521555707 /nfs/dbraw/zinc/55/57/07/521555707.db2.gz YYYOVLWBUCHOKJ-UHFFFAOYSA-N 0 0 273.292 3.319 10 5 CGBERN CC[C@@H](C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054472025 521992415 /nfs/dbraw/zinc/99/24/15/521992415.db2.gz DGRRLICFVPTMBO-MRVPVSSYSA-N 0 0 270.716 3.024 10 5 CGBERN CSCCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176943629 618766985 /nfs/dbraw/zinc/76/69/85/618766985.db2.gz LSQLBONJPUWJIA-SNVBAGLBSA-N 0 0 283.349 3.261 10 5 CGBERN CCn1ccnc1COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000312618230 619098159 /nfs/dbraw/zinc/09/81/59/619098159.db2.gz QXFRZPIDMLFPQV-UHFFFAOYSA-N 0 0 299.689 3.183 10 5 CGBERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000233394123 619295033 /nfs/dbraw/zinc/29/50/33/619295033.db2.gz LNXAFLIECJPASJ-KWQFWETISA-N 0 0 282.727 3.167 10 5 CGBERN CC[C@H](C)OC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000103665489 630374898 /nfs/dbraw/zinc/37/48/98/630374898.db2.gz PNYBBNQGAHJRJP-NSHDSACASA-N 0 0 280.324 3.129 10 5 CGBERN CCCCO[C@H](C)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000103675860 630395452 /nfs/dbraw/zinc/39/54/52/630395452.db2.gz YYLWQLDSRODEIE-VXGBXAGGSA-N 0 0 295.335 3.404 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC(C)C ZINC000588435246 799693598 /nfs/dbraw/zinc/69/35/98/799693598.db2.gz QIJMLROAMRAJKS-BENRWUELSA-N 0 0 276.336 3.160 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000023305248 344897616 /nfs/dbraw/zinc/89/76/16/344897616.db2.gz MGYKEFALAMLPKW-NSHDSACASA-N 0 0 288.303 3.296 10 5 CGBERN Cc1ccc([N+](=O)[O-])c2oc3ccccc3c(=O)c12 ZINC000038954988 344956909 /nfs/dbraw/zinc/95/69/09/344956909.db2.gz WGDAWFOTNCFXOK-UHFFFAOYSA-N 0 0 255.229 3.163 10 5 CGBERN O=[N+]([O-])c1cccc(Cl)c1NCC[C@H]1CCCO1 ZINC000050352082 345081575 /nfs/dbraw/zinc/08/15/75/345081575.db2.gz OCUPXTPOFOEXMK-SECBINFHSA-N 0 0 270.716 3.229 10 5 CGBERN Cc1nn(C(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000116903564 345980404 /nfs/dbraw/zinc/98/04/04/345980404.db2.gz YLYWMBQHTJZUIZ-UHFFFAOYSA-N 0 0 277.280 3.036 10 5 CGBERN COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)cn1C(C)C ZINC000114770171 345966489 /nfs/dbraw/zinc/96/64/89/345966489.db2.gz IXXVXMLGRBMMBJ-UHFFFAOYSA-N 0 0 288.303 3.431 10 5 CGBERN CCc1ccc([C@H](O)c2ccccc2[N+](=O)[O-])cc1 ZINC000202137774 346280756 /nfs/dbraw/zinc/28/07/56/346280756.db2.gz NHLLTFBTSYXSJX-HNNXBMFYSA-N 0 0 257.289 3.239 10 5 CGBERN CSc1ccc(F)c(Br)c1[N+](=O)[O-] ZINC000306817385 346458222 /nfs/dbraw/zinc/45/82/22/346458222.db2.gz DUIQEBAHBRRYSG-UHFFFAOYSA-N 0 0 266.091 3.218 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1Cl ZINC000396161411 346580870 /nfs/dbraw/zinc/58/08/70/346580870.db2.gz NREHZPZIVVWSRY-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN O=c1sc2c(s1)c1cccnc1c1ncccc21 ZINC000584612611 346692696 /nfs/dbraw/zinc/69/26/96/346692696.db2.gz LHHZATPRTHZFLS-UHFFFAOYSA-N 0 0 270.338 3.419 10 5 CGBERN O=[N+]([O-])c1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000584623311 346696278 /nfs/dbraw/zinc/69/62/78/346696278.db2.gz GYAJHBVKDUBPOG-UHFFFAOYSA-N 0 0 257.224 3.049 10 5 CGBERN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000584625282 346697253 /nfs/dbraw/zinc/69/72/53/346697253.db2.gz OYLGSEKJSPKHDY-UHFFFAOYSA-N 0 0 297.742 3.289 10 5 CGBERN CC(C)n1ccnc1CNc1cc([N+](=O)[O-])ccc1F ZINC000124158458 187124397 /nfs/dbraw/zinc/12/43/97/187124397.db2.gz KHDHEEGAIXYEQF-UHFFFAOYSA-N 0 0 278.287 3.123 10 5 CGBERN O=[N+]([O-])c1cc(F)ccc1N[C@H]1COc2ccccc21 ZINC000133649444 187699056 /nfs/dbraw/zinc/69/90/56/187699056.db2.gz VXJQZHPGFVTMDZ-LBPRGKRZSA-N 0 0 274.251 3.280 10 5 CGBERN COc1ccccc1CN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302847807 201575542 /nfs/dbraw/zinc/57/55/42/201575542.db2.gz HKNGRJOYBBREHP-UHFFFAOYSA-N 0 0 290.294 3.379 10 5 CGBERN Cc1cc(O)c2c(c1)[nH]c1c(Cl)cccc1c2=O ZINC000027555234 368872638 /nfs/dbraw/zinc/87/26/38/368872638.db2.gz ANYKGEUYKJDSJG-UHFFFAOYSA-N 0 0 259.692 3.349 10 5 CGBERN Cc1ccc([C@H](C)NCc2csc([N+](=O)[O-])c2)o1 ZINC000037562816 369089283 /nfs/dbraw/zinc/08/92/83/369089283.db2.gz DXVQYSVNQAARAQ-VIFPVBQESA-N 0 0 266.322 3.409 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCc3ccccc32)cn1 ZINC000054614301 369504283 /nfs/dbraw/zinc/50/42/83/369504283.db2.gz ISEHWXITLIDQFQ-AWEZNQCLSA-N 0 0 269.304 3.479 10 5 CGBERN O=[N+]([O-])Cc1ccc2cc(Br)ccc2c1 ZINC000055169517 369512247 /nfs/dbraw/zinc/51/22/47/369512247.db2.gz DQGIWLIBKNDETP-UHFFFAOYSA-N 0 0 266.094 3.379 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1Oc1ccn2ccnc2c1 ZINC000089201414 370039716 /nfs/dbraw/zinc/03/97/16/370039716.db2.gz ODLYXCLHTRDYCA-UHFFFAOYSA-N 0 0 269.260 3.343 10 5 CGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000116044020 370545536 /nfs/dbraw/zinc/54/55/36/370545536.db2.gz NLGUDRNEBSUVNP-ZDUSSCGKSA-N 0 0 286.287 3.165 10 5 CGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1ccco1 ZINC000116043910 370545994 /nfs/dbraw/zinc/54/59/94/370545994.db2.gz OSGIFNCTUHAECT-VIFPVBQESA-N 0 0 292.316 3.227 10 5 CGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)C ZINC000161112448 372302322 /nfs/dbraw/zinc/30/23/22/372302322.db2.gz PSPHOKTWNXBABE-JTQLQIEISA-N 0 0 296.392 3.481 10 5 CGBERN C[C@H](COCc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000172780917 373034397 /nfs/dbraw/zinc/03/43/97/373034397.db2.gz SCRXVTHDLZQDON-GFCCVEGCSA-N 0 0 287.319 3.007 10 5 CGBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301198983 373689053 /nfs/dbraw/zinc/68/90/53/373689053.db2.gz PIIYSWDMOBSCQT-CYBMUJFWSA-N 0 0 283.331 3.286 10 5 CGBERN Cc1cnc([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000226547183 376363171 /nfs/dbraw/zinc/36/31/71/376363171.db2.gz SXKVSFQHZFUUCK-ZETCQYMHSA-N 0 0 283.234 3.343 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227286333 376388381 /nfs/dbraw/zinc/38/83/81/376388381.db2.gz JZDVKPINDGDYPN-IONNQARKSA-N 0 0 255.705 3.244 10 5 CGBERN CCOc1cc(CC)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575655646 377932531 /nfs/dbraw/zinc/93/25/31/377932531.db2.gz MURXFKPESANDAZ-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)(F)F)cc(OC(F)F)c1F ZINC000575661956 377938635 /nfs/dbraw/zinc/93/86/35/377938635.db2.gz WZXSBPGGOSIWFR-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN CC(=O)c1cc(OC(F)F)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575667207 377945266 /nfs/dbraw/zinc/94/52/66/377945266.db2.gz LBJWFSZOQLCFQD-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)F ZINC000575668936 377946056 /nfs/dbraw/zinc/94/60/56/377946056.db2.gz WAQBCGRDWAIQNW-UHFFFAOYSA-N 0 0 253.151 3.442 10 5 CGBERN O=Cc1cc(C(F)F)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575672347 377948487 /nfs/dbraw/zinc/94/84/87/377948487.db2.gz ZLFCPCLNGMIGDK-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN COc1ccc([N+](=O)[O-])c(Cl)c1Br ZINC000575677777 377952791 /nfs/dbraw/zinc/95/27/91/377952791.db2.gz PEIODCNSFDYJBL-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN O=[N+]([O-])c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000575448932 377913438 /nfs/dbraw/zinc/91/34/38/377913438.db2.gz WEAZOFIOBLOUIF-UHFFFAOYSA-N 0 0 258.064 3.087 10 5 CGBERN COc1c(C(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000575684393 377959475 /nfs/dbraw/zinc/95/94/75/377959475.db2.gz GFBKQKYHHXDXRF-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN COc1cc(C(F)F)c([N+](=O)[O-])cc1Br ZINC000575685943 377960658 /nfs/dbraw/zinc/96/06/58/377960658.db2.gz NQJPKORMKKDHOS-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(F)cc1C(F)(F)F ZINC000575698054 377970181 /nfs/dbraw/zinc/97/01/81/377970181.db2.gz ZTUFRIDYCFMECQ-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1ccc([N+](=O)[O-])c(OC)c1C(F)(F)F ZINC000575698617 377971211 /nfs/dbraw/zinc/97/12/11/377971211.db2.gz AUVKHEFPBQQTLK-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(C(F)(F)F)cc1OC ZINC000575698729 377971647 /nfs/dbraw/zinc/97/16/47/377971647.db2.gz HJEYYEBIUGQLRI-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 ZINC000071622034 285141450 /nfs/dbraw/zinc/14/14/50/285141450.db2.gz ZUQCLDXSHAPHMD-UHFFFAOYSA-N 0 0 257.224 3.277 10 5 CGBERN Cc1cnc(N[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000361258828 392268225 /nfs/dbraw/zinc/26/82/25/392268225.db2.gz AWYREXJGMWFYRA-ZDUSSCGKSA-N 0 0 269.304 3.398 10 5 CGBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000575602129 393201828 /nfs/dbraw/zinc/20/18/28/393201828.db2.gz JBNLGYNOVDWUMG-NNYUYHANSA-N 0 0 282.137 3.218 10 5 CGBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000575602127 393201910 /nfs/dbraw/zinc/20/19/10/393201910.db2.gz JBNLGYNOVDWUMG-DDHJBXDOSA-N 0 0 282.137 3.218 10 5 CGBERN CCc1ccsc1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000094882861 165396046 /nfs/dbraw/zinc/39/60/46/165396046.db2.gz NVNQTSBJNFOVKR-UHFFFAOYSA-N 0 0 294.380 3.127 10 5 CGBERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006587713 170217036 /nfs/dbraw/zinc/21/70/36/170217036.db2.gz VQOVJWMLCGXMHE-XVQHWYGASA-N 0 0 288.347 3.303 10 5 CGBERN CCc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000006958653 170258995 /nfs/dbraw/zinc/25/89/95/170258995.db2.gz NNKVAEJGDWFHBL-UHFFFAOYSA-N 0 0 288.303 3.322 10 5 CGBERN CCCN(CCC)c1ccc([N+](=O)[O-])cc1C=O ZINC000020444502 171205744 /nfs/dbraw/zinc/20/57/44/171205744.db2.gz VJZLMJRUEUGQJL-UHFFFAOYSA-N 0 0 250.298 3.034 10 5 CGBERN CC[C@H](C)SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000035046798 171950289 /nfs/dbraw/zinc/95/02/89/171950289.db2.gz VORUVINXMWAVRG-VIFPVBQESA-N 0 0 253.323 3.309 10 5 CGBERN COc1ccc(OC)c(CNc2cccc([N+](=O)[O-])c2)c1 ZINC000035223767 172068034 /nfs/dbraw/zinc/06/80/34/172068034.db2.gz GQRHUPYIZYGIHX-UHFFFAOYSA-N 0 0 288.303 3.224 10 5 CGBERN C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000035739845 172393899 /nfs/dbraw/zinc/39/38/99/172393899.db2.gz ONXISOFVFMNKDH-SSDOTTSWSA-N 0 0 267.672 3.409 10 5 CGBERN Cc1ccc([N+](=O)[O-])c(Oc2ccc(CO)cc2)c1 ZINC000038080798 174090408 /nfs/dbraw/zinc/09/04/08/174090408.db2.gz YVTCXSNCHDVSTC-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN Cc1cccc(Oc2ccccc2CO)c1[N+](=O)[O-] ZINC000038081943 174091351 /nfs/dbraw/zinc/09/13/51/174091351.db2.gz IPCJBORTZJQSMU-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000134539095 287447788 /nfs/dbraw/zinc/44/77/88/287447788.db2.gz DUMJLVSMMULPQX-VIFPVBQESA-N 0 0 292.266 3.126 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194810291 270083065 /nfs/dbraw/zinc/08/30/65/270083065.db2.gz YTWZTMVDWDKVLT-LBPRGKRZSA-N 0 0 299.330 3.098 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccsc1 ZINC000063153141 280365309 /nfs/dbraw/zinc/36/53/09/280365309.db2.gz KUYWPDFVJPBCEC-UHFFFAOYSA-N 0 0 252.270 3.408 10 5 CGBERN CCNc1ccc(COC2CCCC2)cc1[N+](=O)[O-] ZINC000050830339 520303204 /nfs/dbraw/zinc/30/32/04/520303204.db2.gz QNKBLBSUPJUMMT-UHFFFAOYSA-N 0 0 264.325 3.486 10 5 CGBERN CC[C@@H]1CCCC[C@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454366 523227633 /nfs/dbraw/zinc/22/76/33/523227633.db2.gz SJIAAVFOKIFJHP-RKDXNWHRSA-N 0 0 285.731 3.386 10 5 CGBERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000233396363 619295156 /nfs/dbraw/zinc/29/51/56/619295156.db2.gz SXJUIUNPUYRGPN-WPRPVWTQSA-N 0 0 282.727 3.167 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H]1C ZINC000888288254 624153995 /nfs/dbraw/zinc/15/39/95/624153995.db2.gz GUCWWPJEZPICJA-APPZFPTMSA-N 0 0 283.715 3.087 10 5 CGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)/C=C/c1ccco1 ZINC000103377579 626335913 /nfs/dbraw/zinc/33/59/13/626335913.db2.gz JIRFDFKWFQUJIM-OKPNEXGHSA-N 0 0 298.298 3.179 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1(C2CC2)CC1 ZINC000588447886 799695811 /nfs/dbraw/zinc/69/58/11/799695811.db2.gz WHXCLZUWOFFPHC-KHPPLWFESA-N 0 0 287.315 3.484 10 5 CGBERN CC[C@@H](NC(=O)N[C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175534807 529641604 /nfs/dbraw/zinc/64/16/04/529641604.db2.gz HFFKTJSNBVLEJF-BXUZGUMPSA-N 0 0 293.367 3.390 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128338677 136387488 /nfs/dbraw/zinc/38/74/88/136387488.db2.gz WUVQMBTTZGUNME-CJNGLKHVSA-N 0 0 290.363 3.035 10 5 CGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC000591991840 346953976 /nfs/dbraw/zinc/95/39/76/346953976.db2.gz GVXPJUWGYHMCTH-JVUFJMBOSA-N 0 0 267.716 3.244 10 5 CGBERN COc1cc(C)cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000034101823 344938023 /nfs/dbraw/zinc/93/80/23/344938023.db2.gz KACLDPIVDMHOHS-UHFFFAOYSA-N 0 0 273.288 3.491 10 5 CGBERN O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCCO3)ccc2c1 ZINC000037998837 344954344 /nfs/dbraw/zinc/95/43/44/344954344.db2.gz ILLCUZWPMYHYCH-ZDUSSCGKSA-N 0 0 287.319 3.124 10 5 CGBERN Cc1ccc([C@](C)(O)CNc2ccc([N+](=O)[O-])cc2C)o1 ZINC000080649238 345681592 /nfs/dbraw/zinc/68/15/92/345681592.db2.gz JXTXBZRQRMJYHZ-OAHLLOKOSA-N 0 0 290.319 3.124 10 5 CGBERN COC(=O)c1ccc(-c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000130013002 346053538 /nfs/dbraw/zinc/05/35/38/346053538.db2.gz YZFWCALQDGADGS-UHFFFAOYSA-N 0 0 287.271 3.057 10 5 CGBERN COc1cccc(Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000149268143 346130380 /nfs/dbraw/zinc/13/03/80/346130380.db2.gz JZLSTDBBQKFOPN-UHFFFAOYSA-N 0 0 283.287 3.001 10 5 CGBERN O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3[nH]2)o1 ZINC000224138531 346301670 /nfs/dbraw/zinc/30/16/70/346301670.db2.gz CFDBAQNJOYOVNQ-FNORWQNLSA-N 0 0 255.233 3.235 10 5 CGBERN COC(=O)CCCCCCc1ccc([N+](=O)[O-])cc1 ZINC000584595245 346686860 /nfs/dbraw/zinc/68/68/60/346686860.db2.gz VLRROOWYQUACFM-UHFFFAOYSA-N 0 0 265.309 3.261 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCC[Si](C)(C)C ZINC000584597522 346688349 /nfs/dbraw/zinc/68/83/49/346688349.db2.gz RRNCOIZAOKMKBV-UHFFFAOYSA-N 0 0 281.384 3.398 10 5 CGBERN CN(C)/C=C/c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000584603645 346690393 /nfs/dbraw/zinc/69/03/93/346690393.db2.gz LFVKXMYRSYTEPE-AATRIKPKSA-N 0 0 260.215 3.146 10 5 CGBERN CC(=O)C[C@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000584609180 346691963 /nfs/dbraw/zinc/69/19/63/346691963.db2.gz GSGPFCZJDQHLMP-SNVBAGLBSA-N 0 0 275.226 3.045 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)C1CCCC1 ZINC000589573937 346800653 /nfs/dbraw/zinc/80/06/53/346800653.db2.gz VGMNUPYRSGBVRV-MRVPVSSYSA-N 0 0 267.304 3.307 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1NCc1nccn1C(C)C ZINC000123600288 187100267 /nfs/dbraw/zinc/10/02/67/187100267.db2.gz AQUDMBXOLFUUBG-UHFFFAOYSA-N 0 0 274.324 3.293 10 5 CGBERN CC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301327813 200976976 /nfs/dbraw/zinc/97/69/76/200976976.db2.gz CCJDVIRGXYCSOD-WDEREUQCSA-N 0 0 291.351 3.074 10 5 CGBERN CCCC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCC1 ZINC000302032449 201308788 /nfs/dbraw/zinc/30/87/88/201308788.db2.gz KOYBBPWMYFIGQD-UHFFFAOYSA-N 0 0 278.352 3.469 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H](O)c1ccccc1F ZINC000302824862 201566230 /nfs/dbraw/zinc/56/62/30/201566230.db2.gz XNYNXSJUKZGWTI-AWEZNQCLSA-N 0 0 294.257 3.019 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000015686491 368701045 /nfs/dbraw/zinc/70/10/45/368701045.db2.gz VQNNMAUMKURPSK-ZDUSSCGKSA-N 0 0 298.342 3.323 10 5 CGBERN CCc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)nc1 ZINC000027866515 368876442 /nfs/dbraw/zinc/87/64/42/368876442.db2.gz XCPHSRUTINAFPK-UHFFFAOYSA-N 0 0 268.276 3.096 10 5 CGBERN CCOC[C@H](Nc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000228723718 189795102 /nfs/dbraw/zinc/79/51/02/189795102.db2.gz YEBDTECCKSPGAK-LBPRGKRZSA-N 0 0 270.304 3.207 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCc1cccs1 ZINC000052119426 369464825 /nfs/dbraw/zinc/46/48/25/369464825.db2.gz RNWCJVRZGBPBEF-UHFFFAOYSA-N 0 0 252.270 3.408 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NCCc1ccsc1 ZINC000052120308 369464876 /nfs/dbraw/zinc/46/48/76/369464876.db2.gz RPWKSDCBKPZOOF-UHFFFAOYSA-N 0 0 266.297 3.450 10 5 CGBERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000075378154 369906532 /nfs/dbraw/zinc/90/65/32/369906532.db2.gz RSPLFUYLVCQYNW-UFBFGSQYSA-N 0 0 282.727 3.167 10 5 CGBERN C/C=C/CCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000135771100 371448387 /nfs/dbraw/zinc/44/83/87/371448387.db2.gz QCQJONQZWIAUBQ-HWKANZROSA-N 0 0 250.298 3.372 10 5 CGBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000148466195 371522839 /nfs/dbraw/zinc/52/28/39/371522839.db2.gz QPYHGCIOYIJIOA-SSDOTTSWSA-N 0 0 267.672 3.409 10 5 CGBERN C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000172780525 373034607 /nfs/dbraw/zinc/03/46/07/373034607.db2.gz IAKROVUAKRLTJM-GFCCVEGCSA-N 0 0 287.319 3.007 10 5 CGBERN Cc1csc(CN(C)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000301291150 373733231 /nfs/dbraw/zinc/73/32/31/373733231.db2.gz PCPVHSURLFVOIV-UHFFFAOYSA-N 0 0 277.349 3.305 10 5 CGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H](O)C1CCCC1 ZINC000301296190 373735422 /nfs/dbraw/zinc/73/54/22/373735422.db2.gz RVBDLNRODLEDOH-ZDUSSCGKSA-N 0 0 284.743 3.211 10 5 CGBERN Cc1csc(CN(C)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000301305017 373738926 /nfs/dbraw/zinc/73/89/26/373738926.db2.gz XTDXJELBWYDGHL-UHFFFAOYSA-N 0 0 281.312 3.135 10 5 CGBERN COc1cc([N+](=O)[O-])c(C(F)F)cc1OC(F)F ZINC000575652528 377929651 /nfs/dbraw/zinc/92/96/51/377929651.db2.gz RPCDQWPCIOARIL-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN CCOc1c(OC(F)F)ccc([N+](=O)[O-])c1CC ZINC000575657135 377933903 /nfs/dbraw/zinc/93/39/03/377933903.db2.gz WYQHWQNSANQOGQ-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=[N+]([O-])c1cc(OC(F)F)cc(C(F)(F)F)c1F ZINC000575661717 377938502 /nfs/dbraw/zinc/93/85/02/377938502.db2.gz VJJRPQRSDBSLNA-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN Cc1cc(OC(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575666462 377944312 /nfs/dbraw/zinc/94/43/12/377944312.db2.gz IYWIYJVHFUYNPK-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN CC(=O)c1ccc(C(F)(F)F)c(OC(F)F)c1[N+](=O)[O-] ZINC000575667318 377945577 /nfs/dbraw/zinc/94/55/77/377945577.db2.gz MFSDXUZEXKVLFM-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN COc1cc(OC(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575668585 377946499 /nfs/dbraw/zinc/94/64/99/377946499.db2.gz VUGMWTLKSQGZIC-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN O=Cc1c(C(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575671232 377947457 /nfs/dbraw/zinc/94/74/57/377947457.db2.gz GAWDAPWQJZCUEJ-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN COc1cc([N+](=O)[O-])cc(C(F)F)c1OC(F)(F)F ZINC000575672292 377948571 /nfs/dbraw/zinc/94/85/71/377948571.db2.gz XJIVKZBGLCOVSH-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)Cc1c(C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575673355 377948651 /nfs/dbraw/zinc/94/86/51/377948651.db2.gz JNPKLWVYHPPYOK-UHFFFAOYSA-N 0 0 291.225 3.028 10 5 CGBERN CC(=O)c1cc(Br)cc(Cl)c1[N+](=O)[O-] ZINC000575677721 377952799 /nfs/dbraw/zinc/95/27/99/377952799.db2.gz NUPLURNWUBHVEB-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN O=Cc1cc(Cl)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575695407 377969276 /nfs/dbraw/zinc/96/92/76/377969276.db2.gz NBSCMNHQMDYLCK-UHFFFAOYSA-N 0 0 253.563 3.080 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(OC(F)F)c1Cl ZINC000575700058 377972519 /nfs/dbraw/zinc/97/25/19/377972519.db2.gz JDOBSJBMOULMIC-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN COC(=O)c1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575713461 377982669 /nfs/dbraw/zinc/98/26/69/377982669.db2.gz UBFANHQEUSIOED-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN CC(C)(C)[C@@H](O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000282902707 380009349 /nfs/dbraw/zinc/00/93/49/380009349.db2.gz FBBSNWGDZIDYGY-NSHDSACASA-N 0 0 273.716 3.034 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2cnnc3ccccc32)cc1 ZINC000095883411 392244150 /nfs/dbraw/zinc/24/41/50/392244150.db2.gz WBHSVIFCWSDPFK-UHFFFAOYSA-N 0 0 267.244 3.330 10 5 CGBERN Cc1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000250973455 292137357 /nfs/dbraw/zinc/13/73/57/292137357.db2.gz DWUAQMWCTATVDE-BBRMVZONSA-N 0 0 290.363 3.035 10 5 CGBERN COc1cc(N2CC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301598094 286230758 /nfs/dbraw/zinc/23/07/58/286230758.db2.gz XKQVAVCBDGOMLY-DGCLKSJQSA-N 0 0 276.336 3.372 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000078585539 165136833 /nfs/dbraw/zinc/13/68/33/165136833.db2.gz CCQNZSIFSSMFDZ-MWLCHTKSSA-N 0 0 267.354 3.076 10 5 CGBERN Cc1ccc(CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000008906159 170358508 /nfs/dbraw/zinc/35/85/08/170358508.db2.gz DXEBJSOSQAOTRF-UHFFFAOYSA-N 0 0 284.315 3.475 10 5 CGBERN C[C@H](Nc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000020194293 171060177 /nfs/dbraw/zinc/06/01/77/171060177.db2.gz JWUNIXWBBWGOQF-JTQLQIEISA-N 0 0 258.277 3.474 10 5 CGBERN CN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1C=O ZINC000035122214 171992864 /nfs/dbraw/zinc/99/28/64/171992864.db2.gz HUIRPBXBYZUNRV-UHFFFAOYSA-N 0 0 276.317 3.105 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000035234513 172074222 /nfs/dbraw/zinc/07/42/22/172074222.db2.gz IMZMIZOZTZGJMD-VIFPVBQESA-N 0 0 261.256 3.302 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000035234514 172074396 /nfs/dbraw/zinc/07/43/96/172074396.db2.gz IMZMIZOZTZGJMD-SECBINFHSA-N 0 0 261.256 3.302 10 5 CGBERN C[C@@H](O)c1ccccc1OCc1cc(F)ccc1[N+](=O)[O-] ZINC000035626736 172305597 /nfs/dbraw/zinc/30/55/97/172305597.db2.gz DPWCGSVCHPQPPH-SNVBAGLBSA-N 0 0 291.278 3.366 10 5 CGBERN Nc1cc(F)ccc1SCc1ccc([N+](=O)[O-])o1 ZINC000037195044 173023900 /nfs/dbraw/zinc/02/39/00/173023900.db2.gz JXSUADZDMDQABS-UHFFFAOYSA-N 0 0 268.269 3.201 10 5 CGBERN Cc1cc(Oc2ccc(CO)cc2)ccc1[N+](=O)[O-] ZINC000038080944 174090502 /nfs/dbraw/zinc/09/05/02/174090502.db2.gz OHORVUAUARBCOD-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN Cc1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597537 174349465 /nfs/dbraw/zinc/34/94/65/174349465.db2.gz ZYCQANNZXLJBQD-UHFFFAOYSA-N 0 0 287.323 3.257 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1C[C@H]1CCCCC[C@@H]1O ZINC000043658794 175085749 /nfs/dbraw/zinc/08/57/49/175085749.db2.gz IXPMLSJMYSRVHS-YGRLFVJLSA-N 0 0 267.300 3.218 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000219361516 270085913 /nfs/dbraw/zinc/08/59/13/270085913.db2.gz KDMDKGMHVVXEOY-LDYMZIIASA-N 0 0 260.297 3.072 10 5 CGBERN Cc1nc(N2CCC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000301651202 293296815 /nfs/dbraw/zinc/29/68/15/293296815.db2.gz QDTNBAQSEIZJCF-OCCSQVGLSA-N 0 0 275.352 3.457 10 5 CGBERN CCS(=O)(CC)=Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000536957716 330383602 /nfs/dbraw/zinc/38/36/02/330383602.db2.gz OCUTUXSKFRQDTG-UHFFFAOYSA-N 0 0 256.327 3.043 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000163236640 534333289 /nfs/dbraw/zinc/33/32/89/534333289.db2.gz JVSOJEGSUDUEIH-RYUDHWBXSA-N 0 0 290.363 3.411 10 5 CGBERN C[C@@H]1CCCC[C@@H]1OCc1cc([N+](=O)[O-])ccc1N ZINC000050831675 524149708 /nfs/dbraw/zinc/14/97/08/524149708.db2.gz FORUWPURTDZZKI-YGRLFVJLSA-N 0 0 264.325 3.272 10 5 CGBERN C/C=C(\C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178251235 618246335 /nfs/dbraw/zinc/24/63/35/618246335.db2.gz ORSBSLGVEIZTCG-FZPLPXEFSA-N 0 0 263.293 3.474 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000126801149 635287408 /nfs/dbraw/zinc/28/74/08/635287408.db2.gz UPBIXRCJTRHEHH-LLVKDONJSA-N 0 0 289.287 3.343 10 5 CGBERN CCC[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139432379 637723312 /nfs/dbraw/zinc/72/33/12/637723312.db2.gz UEKPIYUFYFXREW-GZMMTYOYSA-N 0 0 282.727 3.167 10 5 CGBERN CCOC(=O)c1cc2c(ccc(Cl)c2[N+](=O)[O-])o1 ZINC000095936123 185034248 /nfs/dbraw/zinc/03/42/48/185034248.db2.gz WVKSPFGGTPEWCU-UHFFFAOYSA-N 0 0 269.640 3.171 10 5 CGBERN Cc1ccc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000018181070 344889179 /nfs/dbraw/zinc/88/91/79/344889179.db2.gz RCYADHXCQILDKD-JTQLQIEISA-N 0 0 289.291 3.379 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000021839590 344893964 /nfs/dbraw/zinc/89/39/64/344893964.db2.gz IMZZQQRHBUIIOU-LLVKDONJSA-N 0 0 288.303 3.296 10 5 CGBERN CC(C)CCNc1cc(-n2ccnc2)ccc1[N+](=O)[O-] ZINC000038979703 344956874 /nfs/dbraw/zinc/95/68/74/344956874.db2.gz BVQQEQUUHWQROK-UHFFFAOYSA-N 0 0 274.324 3.239 10 5 CGBERN CC[C@@H]([NH2+][C@H](CC(C)C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000043433157 344998616 /nfs/dbraw/zinc/99/86/16/344998616.db2.gz ZYEXQTORNXYZDB-ZIAGYGMSSA-N 0 0 294.351 3.135 10 5 CGBERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1COC ZINC000080653424 345681537 /nfs/dbraw/zinc/68/15/37/345681537.db2.gz GQZUMMJENKJPCS-YGRLFVJLSA-N 0 0 264.325 3.342 10 5 CGBERN O=[N+]([O-])c1cc2c[nH][nH]c2c2c3ccccc3nc21 ZINC000096272481 345902533 /nfs/dbraw/zinc/90/25/33/345902533.db2.gz OSHXOLFPPORXMW-UHFFFAOYSA-N 0 0 252.233 3.106 10 5 CGBERN O=[N+]([O-])c1cnc2c(F)cc(F)c(F)c2c1Cl ZINC000098061903 345910009 /nfs/dbraw/zinc/91/00/09/345910009.db2.gz JAEXORPEDKRHLJ-UHFFFAOYSA-N 0 0 262.574 3.214 10 5 CGBERN COc1ccc(C)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061860 345910021 /nfs/dbraw/zinc/91/00/21/345910021.db2.gz INGOPGFZUUWOMQ-UHFFFAOYSA-N 0 0 252.657 3.113 10 5 CGBERN CCOc1ccccc1-c1ccc(N)cc1[N+](=O)[O-] ZINC000113737792 345961515 /nfs/dbraw/zinc/96/15/15/345961515.db2.gz ASTIKEBMMAIZAS-UHFFFAOYSA-N 0 0 258.277 3.243 10 5 CGBERN C[Si](C)(C)CCOCn1ncc2c1cccc2[N+](=O)[O-] ZINC000204340772 346281980 /nfs/dbraw/zinc/28/19/80/346281980.db2.gz SVJGNXGTJJTOQL-UHFFFAOYSA-N 0 0 293.399 3.257 10 5 CGBERN Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1Cl ZINC000390252982 346574394 /nfs/dbraw/zinc/57/43/94/346574394.db2.gz VCMHHSWCSVMZNK-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN O=[N+]([O-])c1cccc(OC(F)(F)F)c1Br ZINC000396166459 346580450 /nfs/dbraw/zinc/58/04/50/346580450.db2.gz WSXMJNDIYJUETN-UHFFFAOYSA-N 0 0 286.003 3.256 10 5 CGBERN O=[N+]([O-])c1c(C(F)(F)F)ccc(CO)c1C(F)(F)F ZINC000514282041 346638020 /nfs/dbraw/zinc/63/80/20/346638020.db2.gz NMGKRBUXBXQGET-UHFFFAOYSA-N 0 0 289.131 3.125 10 5 CGBERN CN(C)c1ccc([N+](=O)[O-])c2ccc(C(F)F)nc21 ZINC000606303975 348174226 /nfs/dbraw/zinc/17/42/26/348174226.db2.gz KTYSKKWJDWRHSQ-UHFFFAOYSA-N 0 0 267.235 3.147 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3ccccc3)nc2c1 ZINC000105797165 138353243 /nfs/dbraw/zinc/35/32/43/138353243.db2.gz YXGVFFGJSKDUKV-UHFFFAOYSA-N 0 0 282.303 3.126 10 5 CGBERN Cc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2C)cc1F ZINC000302725192 201527193 /nfs/dbraw/zinc/52/71/93/201527193.db2.gz OMJCBONUOZQCPI-UHFFFAOYSA-N 0 0 289.310 3.382 10 5 CGBERN C[N@@+]1([O-])CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000248082415 291447638 /nfs/dbraw/zinc/44/76/38/291447638.db2.gz VVDXWJOYXVNLLQ-UYAOXDASSA-N 0 0 280.371 3.097 10 5 CGBERN Nc1ccc([N+](=O)[O-])cc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000034939081 368980515 /nfs/dbraw/zinc/98/05/15/368980515.db2.gz DLNCCECIZSVOMC-UHFFFAOYSA-N 0 0 288.694 3.374 10 5 CGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC1CCCC1 ZINC000103377476 370325810 /nfs/dbraw/zinc/32/58/10/370325810.db2.gz MCJVAMOVXPHPED-NSHDSACASA-N 0 0 288.347 3.453 10 5 CGBERN CC[C@H](NC(=O)N[C@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000175614530 373493341 /nfs/dbraw/zinc/49/33/41/373493341.db2.gz HRCLHBATMKAJDL-YGRLFVJLSA-N 0 0 291.351 3.144 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccc2F)c(F)c1 ZINC000301321012 373744362 /nfs/dbraw/zinc/74/43/62/373744362.db2.gz SNDKUEXEFXJIPB-CQSZACIVSA-N 0 0 294.257 3.019 10 5 CGBERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(C)n2)cc1F ZINC000302723392 373940365 /nfs/dbraw/zinc/94/03/65/373940365.db2.gz NIBNBVRREOIERJ-UHFFFAOYSA-N 0 0 289.310 3.382 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H](O)c1cccc(F)c1 ZINC000302793801 373965824 /nfs/dbraw/zinc/96/58/24/373965824.db2.gz HQRQUVDQCVBWLW-CQSZACIVSA-N 0 0 294.257 3.019 10 5 CGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(F)F ZINC000302804045 373969871 /nfs/dbraw/zinc/96/98/71/373969871.db2.gz DUHXQABIWJZCID-UHFFFAOYSA-N 0 0 250.632 3.234 10 5 CGBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000227759815 376409602 /nfs/dbraw/zinc/40/96/02/376409602.db2.gz CJDVTLHZSOYWNW-YPMHNXCESA-N 0 0 264.325 3.273 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000227760067 376409734 /nfs/dbraw/zinc/40/97/34/376409734.db2.gz FSBMBSLSKGTYLB-GXSJLCMTSA-N 0 0 268.288 3.103 10 5 CGBERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000226547172 376363208 /nfs/dbraw/zinc/36/32/08/376363208.db2.gz JZEWKQJLOCRAMW-JTQLQIEISA-N 0 0 261.281 3.373 10 5 CGBERN Cc1cnc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)o1 ZINC000230645275 376523658 /nfs/dbraw/zinc/52/36/58/376523658.db2.gz VWVNALQDHAUFMS-LLVKDONJSA-N 0 0 275.308 3.050 10 5 CGBERN COc1cc(C(F)F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575652816 377930726 /nfs/dbraw/zinc/93/07/26/377930726.db2.gz VQMWOWHGLKJWMS-UHFFFAOYSA-N 0 0 269.150 3.142 10 5 CGBERN O=[N+]([O-])c1cc(F)c(OC(F)F)c(OC(F)(F)F)c1 ZINC000575661030 377937007 /nfs/dbraw/zinc/93/70/07/377937007.db2.gz GEBKMNZKFNPUDA-UHFFFAOYSA-N 0 0 291.103 3.234 10 5 CGBERN O=[N+]([O-])c1cc(F)c(OC(F)F)cc1C(F)(F)F ZINC000575660986 377937316 /nfs/dbraw/zinc/93/73/16/377937316.db2.gz FVQIFONDSPLSKU-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN COc1cc(C(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575666263 377943194 /nfs/dbraw/zinc/94/31/94/377943194.db2.gz JWQIVMKJESAVJU-UHFFFAOYSA-N 0 0 287.140 3.224 10 5 CGBERN CCOC(=O)c1cc(C)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575675726 377950568 /nfs/dbraw/zinc/95/05/68/377950568.db2.gz XIPLZNPXNMCGHI-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)F)c(OC(F)F)c1Cl ZINC000575678261 377952887 /nfs/dbraw/zinc/95/28/87/377952887.db2.gz YFIIQOVWXVUEBO-UHFFFAOYSA-N 0 0 289.568 3.451 10 5 CGBERN COc1cc([N+](=O)[O-])cc(Br)c1C(F)F ZINC000575684214 377959422 /nfs/dbraw/zinc/95/94/22/377959422.db2.gz DBGJFYSOPMTFKZ-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN COc1cc(Br)c([N+](=O)[O-])cc1C(F)F ZINC000575685300 377960226 /nfs/dbraw/zinc/96/02/26/377960226.db2.gz KPEQCWMNVCRTCV-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCOc1cc(C(C)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575699901 377972714 /nfs/dbraw/zinc/97/27/14/377972714.db2.gz YGSJSMLZWZNFJT-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1C(F)(F)F ZINC000575712645 377981331 /nfs/dbraw/zinc/98/13/31/377981331.db2.gz IINPPMSEYKICMK-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2CCC[C@H]21 ZINC000408362761 380005553 /nfs/dbraw/zinc/00/55/53/380005553.db2.gz QYDLRICVMGDRTJ-WCBMZHEXSA-N 0 0 267.716 3.022 10 5 CGBERN CC(C)(C)[C@H](O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000282902704 380008284 /nfs/dbraw/zinc/00/82/84/380008284.db2.gz FBBSNWGDZIDYGY-LLVKDONJSA-N 0 0 273.716 3.034 10 5 CGBERN CC(C)(C)OC(=O)Nc1noc2ccc([N+](=O)[O-])cc21 ZINC000095830724 392243937 /nfs/dbraw/zinc/24/39/37/392243937.db2.gz OTINQIFCOFSFII-UHFFFAOYSA-N 0 0 279.252 3.083 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000163437244 291995694 /nfs/dbraw/zinc/99/56/94/291995694.db2.gz GTYXGUKXBFTMHD-RYUDHWBXSA-N 0 0 290.363 3.411 10 5 CGBERN CSc1c(C)c(Br)ccc1[N+](=O)[O-] ZINC000307024844 397680001 /nfs/dbraw/zinc/68/00/01/397680001.db2.gz WPYLUMXAAOSTRL-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN CCS[C@@H]1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078671166 165135153 /nfs/dbraw/zinc/13/51/53/165135153.db2.gz LMJKWQVQXDWIMN-GHMZBOCLSA-N 0 0 281.381 3.384 10 5 CGBERN CC[C@H](NC(=O)NCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090596550 165239313 /nfs/dbraw/zinc/23/93/13/165239313.db2.gz XTEMJIBMTPMZQD-AWEZNQCLSA-N 0 0 291.351 3.145 10 5 CGBERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003559878 169896806 /nfs/dbraw/zinc/89/68/06/169896806.db2.gz YYBPIMKCVYDOIW-WKZUOKLVSA-N 0 0 288.347 3.303 10 5 CGBERN CN[C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 ZINC000035497915 172231360 /nfs/dbraw/zinc/23/13/60/172231360.db2.gz BKQKTQTYNXADIU-JTQLQIEISA-N 0 0 272.713 3.212 10 5 CGBERN CCCN(c1ccc([C@@H](C)O)cc1[N+](=O)[O-])C1CC1 ZINC000035631664 172313818 /nfs/dbraw/zinc/31/38/18/172313818.db2.gz QYXVPLGIOIOTDR-SNVBAGLBSA-N 0 0 264.325 3.027 10 5 CGBERN CO[C@H]1CCCC[C@@H]1Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037298701 173102874 /nfs/dbraw/zinc/10/28/74/173102874.db2.gz VRVDSAYQYBHEEX-JSGCOSHPSA-N 0 0 264.325 3.273 10 5 CGBERN C[C@@H](O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038080265 174089779 /nfs/dbraw/zinc/08/97/79/174089779.db2.gz UYIBFHVOXGCOSL-SNVBAGLBSA-N 0 0 259.261 3.440 10 5 CGBERN CCOc1ncnc(Nc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040587361 174345726 /nfs/dbraw/zinc/34/57/26/174345726.db2.gz CNLGDBXCLCZBHP-UHFFFAOYSA-N 0 0 288.307 3.090 10 5 CGBERN COc1ccc(-c2oc3ccccc3c(=O)c2[N+](=O)[O-])cc1 ZINC000039119535 277398090 /nfs/dbraw/zinc/39/80/90/277398090.db2.gz UODBUBWNHHUWFP-UHFFFAOYSA-N 0 0 297.266 3.377 10 5 CGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1 ZINC000103377510 279012966 /nfs/dbraw/zinc/01/29/66/279012966.db2.gz GHCCXONCFPNGHZ-LLVKDONJSA-N 0 0 282.299 3.186 10 5 CGBERN C[N+]1([O-])CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000065747804 280177579 /nfs/dbraw/zinc/17/75/79/280177579.db2.gz VVDXWJOYXVNLLQ-LROBGIAVSA-N 0 0 280.371 3.097 10 5 in-vitro CGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@@H]1c1ccco1 ZINC000302057739 280364386 /nfs/dbraw/zinc/36/43/86/280364386.db2.gz RAJBCHPPRVLGEZ-CYBMUJFWSA-N 0 0 288.303 3.022 10 5 CGBERN C[C@@H]1C[C@H](C)CN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302860368 297362588 /nfs/dbraw/zinc/36/25/88/297362588.db2.gz OVORJQLDBFRWHD-AOOOYVTPSA-N 0 0 252.289 3.216 10 5 CGBERN Cc1cc(Br)c2cnccc2c1[N+](=O)[O-] ZINC000536956975 330383382 /nfs/dbraw/zinc/38/33/82/330383382.db2.gz AXQNZPZBUKROAG-UHFFFAOYSA-N 0 0 267.082 3.214 10 5 CGBERN C[C@@H]1CC[C@@H](O)[C@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727203 524619152 /nfs/dbraw/zinc/61/91/52/524619152.db2.gz NILXGHTWRPGWEE-UXIGCNINSA-N 0 0 263.337 3.325 10 5 CGBERN C[C@H]1C[C@H]1NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000052288487 524962726 /nfs/dbraw/zinc/96/27/26/524962726.db2.gz JCOSELQIZTXMJZ-YLWLKBPMSA-N 0 0 289.118 3.040 10 5 CGBERN Cc1cc(N[C@@H]2CCSC2)c([N+](=O)[O-])cc1C ZINC000050439252 525297942 /nfs/dbraw/zinc/29/79/42/525297942.db2.gz MZPYMQIWVVKXQI-SNVBAGLBSA-N 0 0 252.339 3.129 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000057159419 525709118 /nfs/dbraw/zinc/70/91/18/525709118.db2.gz XOMMPXYRLNDPJE-SNVBAGLBSA-N 0 0 289.291 3.379 10 5 CGBERN C[C@@H]1CC=CC[C@H]1COc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454464 526238665 /nfs/dbraw/zinc/23/86/65/526238665.db2.gz QXOOYKPSQAPFFA-BDAKNGLRSA-N 0 0 283.715 3.019 10 5 CGBERN Nc1cc([N+](=O)[O-])ccc1N1CCCc2ccccc21 ZINC000052840077 527460924 /nfs/dbraw/zinc/46/09/24/527460924.db2.gz UUZIWEXYTUWXBN-UHFFFAOYSA-N 0 0 269.304 3.261 10 5 CGBERN CC(=O)[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000232581206 623407307 /nfs/dbraw/zinc/40/73/07/623407307.db2.gz FYFOJZLMQQRJFA-SNVBAGLBSA-N 0 0 282.727 3.054 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CCCC[C@H]1O ZINC000124786418 634505886 /nfs/dbraw/zinc/50/58/86/634505886.db2.gz OWNRWEMWYQOCRE-NOZJJQNGSA-N 0 0 284.743 3.211 10 5 CGBERN CC(C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000129584142 636313305 /nfs/dbraw/zinc/31/33/05/636313305.db2.gz MBCYDJSSCPXJES-QMMMGPOBSA-N 0 0 270.716 3.023 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(O)c1 ZINC000588444345 799695167 /nfs/dbraw/zinc/69/51/67/799695167.db2.gz NKRDLNHRDYBEPC-LUAWRHEFSA-N 0 0 298.298 3.342 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1CCC1 ZINC000588447876 799696258 /nfs/dbraw/zinc/69/62/58/799696258.db2.gz TVIYVVSHJFAOLB-KTKRTIGZSA-N 0 0 261.277 3.094 10 5 CGBERN COc1cc([N+](=O)[O-])c(C)cc1OCc1ccccc1 ZINC000034374771 344939313 /nfs/dbraw/zinc/93/93/13/344939313.db2.gz AGBPKBAXTFDOAM-UHFFFAOYSA-N 0 0 273.288 3.491 10 5 CGBERN CCc1cc2c(=O)c3c(cn4ccccc34)oc2cc1O ZINC000048554254 345068202 /nfs/dbraw/zinc/06/82/02/345068202.db2.gz IESGBYCWVOUPPE-UHFFFAOYSA-N 0 0 279.295 3.467 10 5 CGBERN O=[N+]([O-])c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c(F)c1 ZINC000078371481 345604620 /nfs/dbraw/zinc/60/46/20/345604620.db2.gz GMZZYLPZCDVAKM-GHMZBOCLSA-N 0 0 262.284 3.136 10 5 CGBERN CN(OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000092826207 345859629 /nfs/dbraw/zinc/85/96/29/345859629.db2.gz VVKWTSLIHJCWMO-UHFFFAOYSA-N 0 0 258.277 3.163 10 5 CGBERN Cc1c2[nH]c3ccc(O)cc3c2c(C)c2c(=O)[nH]ccc12 ZINC000098176048 345910582 /nfs/dbraw/zinc/91/05/82/345910582.db2.gz KKIYYIZBYXEAAT-UHFFFAOYSA-N 0 0 278.311 3.485 10 5 CGBERN O=[N+]([O-])c1cccc(I)c1C(F)F ZINC000238589699 346350197 /nfs/dbraw/zinc/35/01/97/346350197.db2.gz QROYTWLFSGSPFY-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN O=[N+]([O-])c1ccc(C(F)F)c(I)c1 ZINC000238701131 346350270 /nfs/dbraw/zinc/35/02/70/346350270.db2.gz MOQKRKGVYFEFSL-UHFFFAOYSA-N 0 0 299.014 3.137 10 5 CGBERN O=[N+]([O-])c1ccc(OC(F)F)c(Br)c1F ZINC000396038222 346578188 /nfs/dbraw/zinc/57/81/88/346578188.db2.gz GQXQCMHFZQIVPD-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN Cc1c(Cl)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000396151936 346579863 /nfs/dbraw/zinc/57/98/63/346579863.db2.gz CHWGMEPDHNXMOI-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN CC(C)(C)OC(=O)N1CC[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000584616695 346693614 /nfs/dbraw/zinc/69/36/14/346693614.db2.gz SYXRQMNWJNMNBW-CYBMUJFWSA-N 0 0 292.335 3.147 10 5 CGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000117563141 138366344 /nfs/dbraw/zinc/36/63/44/138366344.db2.gz KUPCPMRQJJFDIC-ZUZCIYMTSA-N 0 0 299.282 3.065 10 5 CGBERN COC(=O)C(C)(C)C(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000301574200 201075958 /nfs/dbraw/zinc/07/59/58/201075958.db2.gz PLDVRLDHGDMKHZ-UHFFFAOYSA-N 0 0 298.314 3.124 10 5 CGBERN O=[N+]([O-])c1cccc(-c2nccc3cccnc32)c1 ZINC000013805279 368667605 /nfs/dbraw/zinc/66/76/05/368667605.db2.gz OMRFTRYPQRVACI-UHFFFAOYSA-N 0 0 251.245 3.205 10 5 CGBERN O=c1oc2cc3oc4ccccc4c3cc2cc1CO ZINC000026743651 368864008 /nfs/dbraw/zinc/86/40/08/368864008.db2.gz BXPIYFZNKJKUQF-UHFFFAOYSA-N 0 0 266.252 3.185 10 5 CGBERN COc1cc2ccc(C(C)(C)C)nc2c([N+](=O)[O-])c1 ZINC000059719016 369581912 /nfs/dbraw/zinc/58/19/12/369581912.db2.gz NCVQZQCUOWYQOG-UHFFFAOYSA-N 0 0 260.293 3.449 10 5 CGBERN C[C@@H](Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000062188309 369621681 /nfs/dbraw/zinc/62/16/81/369621681.db2.gz FSSKFRRPQCVFLO-NSHDSACASA-N 0 0 257.293 3.033 10 5 CGBERN CC(=O)c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn21 ZINC000098181496 370269124 /nfs/dbraw/zinc/26/91/24/370269124.db2.gz KTYUUPHGLFVEDZ-UHFFFAOYSA-N 0 0 281.271 3.112 10 5 CGBERN Cc1c(CN2CCCc3c(N)cccc32)cccc1[N+](=O)[O-] ZINC000261961167 291541771 /nfs/dbraw/zinc/54/17/71/291541771.db2.gz OQMOSWPQKPXRMQ-UHFFFAOYSA-N 0 0 297.358 3.438 10 5 CGBERN O=[N+]([O-])c1ccc(N2CC=C(c3cccs3)CC2)nc1 ZINC000301305636 373739273 /nfs/dbraw/zinc/73/92/73/373739273.db2.gz YGQOODRIQRCHFQ-UHFFFAOYSA-N 0 0 287.344 3.345 10 5 CGBERN O=[N+]([O-])c1c(Cl)cc(F)cc1Br ZINC000307269805 374145705 /nfs/dbraw/zinc/14/57/05/374145705.db2.gz NYNJRMKPCIKOEL-UHFFFAOYSA-N 0 0 254.442 3.150 10 5 CGBERN Cc1cc(NC[C@@H]2CCCC[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000313178565 374299639 /nfs/dbraw/zinc/29/96/39/374299639.db2.gz VHEZMZFTPUCGRF-HZMBPMFUSA-N 0 0 282.315 3.005 10 5 CGBERN O=[N+]([O-])c1cnc(N2CC=C(c3ccccc3)CC2)s1 ZINC000190301080 375493163 /nfs/dbraw/zinc/49/31/63/375493163.db2.gz CUXYOEDNFUVYEQ-UHFFFAOYSA-N 0 0 287.344 3.345 10 5 CGBERN O=Cc1cc(F)cc(Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000225516168 376314582 /nfs/dbraw/zinc/31/45/82/376314582.db2.gz UPMHEJPQZFGMSF-UHFFFAOYSA-N 0 0 279.198 3.478 10 5 CGBERN CO[C@@H]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000227760189 376409958 /nfs/dbraw/zinc/40/99/58/376409958.db2.gz QTVJUKISHGTHMW-WDEREUQCSA-N 0 0 268.288 3.103 10 5 CGBERN CCS[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000230922305 376546945 /nfs/dbraw/zinc/54/69/45/376546945.db2.gz XWWCCLHLMUPUAA-CMPLNLGQSA-N 0 0 281.381 3.384 10 5 CGBERN CCOc1cc([N+](=O)[O-])c(OC(F)F)cc1CC ZINC000575654611 377931749 /nfs/dbraw/zinc/93/17/49/377931749.db2.gz DRLPJXUNXDIPLB-UHFFFAOYSA-N 0 0 261.224 3.157 10 5 CGBERN O=Cc1cc(C(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575666299 377943440 /nfs/dbraw/zinc/94/34/40/377943440.db2.gz JYRBVZOQGLVJPB-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=Cc1ccc(C(F)(F)F)c(OC(F)F)c1[N+](=O)[O-] ZINC000575667232 377945153 /nfs/dbraw/zinc/94/51/53/377945153.db2.gz OOIDOHRKXDKHNI-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=Cc1cc(OC(F)(F)F)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575671420 377947730 /nfs/dbraw/zinc/94/77/30/377947730.db2.gz KECMLDSLQFXYBD-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC000575674462 377949319 /nfs/dbraw/zinc/94/93/19/377949319.db2.gz QRVSPNCCUIBYEZ-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN COc1ccc([N+](=O)[O-])c(Br)c1C(F)F ZINC000575683500 377958452 /nfs/dbraw/zinc/95/84/52/377958452.db2.gz AKSZMNYWKAEXCS-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=Cc1c(Br)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575687942 377963072 /nfs/dbraw/zinc/96/30/72/377963072.db2.gz WQKQTUBCFSDYON-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCOc1cc(F)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575697802 377970148 /nfs/dbraw/zinc/97/01/48/377970148.db2.gz MLCPGZUVGGVBOW-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1c([N+](=O)[O-])ccc(F)c1C(F)(F)F ZINC000575697804 377970540 /nfs/dbraw/zinc/97/05/40/377970540.db2.gz MMOFQVHXWIGYIK-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOC(=O)c1cc(OC(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000575700696 377973404 /nfs/dbraw/zinc/97/34/04/377973404.db2.gz PSKQSVOQDJKINQ-UHFFFAOYSA-N 0 0 295.625 3.026 10 5 CGBERN COC(=O)c1c(Cl)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575713483 377982448 /nfs/dbraw/zinc/98/24/48/377982448.db2.gz VBMZLULXDZZCFG-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN O=[N+]([O-])c1c(F)cccc1N1C[C@H]2CCCC[C@H]21 ZINC000370678360 379051577 /nfs/dbraw/zinc/05/15/77/379051577.db2.gz WPNDICNXOKEWES-MWLCHTKSSA-N 0 0 250.273 3.113 10 5 CGBERN Cc1cc(N[C@@H]2CCOc3ccccc32)ncc1[N+](=O)[O-] ZINC000081275279 392222119 /nfs/dbraw/zinc/22/21/19/392222119.db2.gz XGCAZLMFZQVCEI-GFCCVEGCSA-N 0 0 285.303 3.234 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NCCC1=CCOCC1 ZINC000158064513 392552741 /nfs/dbraw/zinc/55/27/41/392552741.db2.gz FAQKRCFKSYXBHE-UHFFFAOYSA-N 0 0 262.309 3.052 10 5 CGBERN CC(C)[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022174 392607700 /nfs/dbraw/zinc/60/77/00/392607700.db2.gz FXMGNRCYLINWNV-CQSZACIVSA-N 0 0 292.379 3.350 10 5 CGBERN Cc1ccc([C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)o1 ZINC000196181000 392975208 /nfs/dbraw/zinc/97/52/08/392975208.db2.gz MIADAOBIPWOGOO-ZCFIWIBFSA-N 0 0 272.515 3.319 10 5 CGBERN C[C@@H]1CC(CNc2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000281705426 393354145 /nfs/dbraw/zinc/35/41/45/393354145.db2.gz BFEMLDOFGOYHQZ-RKDXNWHRSA-N 0 0 299.758 3.259 10 5 CGBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cc1 ZINC000005864520 170148875 /nfs/dbraw/zinc/14/88/75/170148875.db2.gz IMYSAAAMYPTPLK-JTQLQIEISA-N 0 0 289.262 3.384 10 5 CGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCCCC1 ZINC000006527288 170210456 /nfs/dbraw/zinc/21/04/56/170210456.db2.gz NHGWGLDLSBMQSO-ZHACJKMWSA-N 0 0 274.320 3.057 10 5 CGBERN Cc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1F ZINC000007136157 170268627 /nfs/dbraw/zinc/26/86/27/170268627.db2.gz YTAMUEPQEXVAPJ-UHFFFAOYSA-N 0 0 292.241 3.434 10 5 CGBERN C[C@H]1CCC[C@H](C)N1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998172 170394168 /nfs/dbraw/zinc/39/41/68/170394168.db2.gz ZUDNETGFEAPEMH-RYUDHWBXSA-N 0 0 276.336 3.040 10 5 CGBERN Cc1nc2ccccc2n1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000013233643 170541067 /nfs/dbraw/zinc/54/10/67/170541067.db2.gz HJUGUFLZSNLCGJ-UHFFFAOYSA-N 0 0 295.298 3.136 10 5 CGBERN C[C@@H](O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035188714 172043403 /nfs/dbraw/zinc/04/34/03/172043403.db2.gz NQVNDZHKECEPKC-LLVKDONJSA-N 0 0 273.288 3.227 10 5 CGBERN COc1ccccc1CNc1cc([N+](=O)[O-])ccc1OC ZINC000035223716 172068178 /nfs/dbraw/zinc/06/81/78/172068178.db2.gz RSFMAFWJHAYSNG-UHFFFAOYSA-N 0 0 288.303 3.224 10 5 CGBERN COc1ccc(CNc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000035224034 172068692 /nfs/dbraw/zinc/06/86/92/172068692.db2.gz SUCOSILNTNRITP-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN O=[N+]([O-])c1ccc(CNc2ccc(F)cc2F)o1 ZINC000037212245 173033531 /nfs/dbraw/zinc/03/35/31/173033531.db2.gz MKWMHMOJOGPVPS-UHFFFAOYSA-N 0 0 254.192 3.078 10 5 CGBERN CC(C)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037247046 173060040 /nfs/dbraw/zinc/06/00/40/173060040.db2.gz PFXMLKDFKCZJFE-UHFFFAOYSA-N 0 0 277.107 3.040 10 5 CGBERN O=[N+]([O-])c1c2ncsc2ccc1NC[C@@H]1CCCOC1 ZINC000038046280 174054532 /nfs/dbraw/zinc/05/45/32/174054532.db2.gz OXLYMAVVEFWADC-VIFPVBQESA-N 0 0 293.348 3.043 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2nsnc2Cl)c(F)c1 ZINC000038082477 174091308 /nfs/dbraw/zinc/09/13/08/174091308.db2.gz YLLDWAGHXMOFHK-UHFFFAOYSA-N 0 0 275.648 3.031 10 5 CGBERN CC(C)C[C@@H](C)Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000040176552 174201433 /nfs/dbraw/zinc/20/14/33/174201433.db2.gz MDZXIUCFHCCJMW-SNVBAGLBSA-N 0 0 251.282 3.221 10 5 CGBERN CCNc1ncnc(Nc2ccccc2CC)c1[N+](=O)[O-] ZINC000040586989 174345731 /nfs/dbraw/zinc/34/57/31/174345731.db2.gz FSCVTVWHBGWDSR-UHFFFAOYSA-N 0 0 287.323 3.123 10 5 CGBERN CC(C)Nc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040597570 174349365 /nfs/dbraw/zinc/34/93/65/174349365.db2.gz ZKUNHHDHACYICU-UHFFFAOYSA-N 0 0 290.348 3.356 10 5 CGBERN Cc1ccccc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040648050 174364988 /nfs/dbraw/zinc/36/49/88/174364988.db2.gz SFWCQGNQIRAHGE-UHFFFAOYSA-N 0 0 288.307 3.224 10 5 CGBERN O=[N+]([O-])c1ccccc1N[C@@H]1COc2ccccc21 ZINC000070199504 175882120 /nfs/dbraw/zinc/88/21/20/175882120.db2.gz UAVNBPZKQRWZBC-GFCCVEGCSA-N 0 0 256.261 3.140 10 5 CGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]3CCCC[C@H]32)c(F)c1 ZINC000408470230 280379783 /nfs/dbraw/zinc/37/97/83/280379783.db2.gz QEULUBKWOKPULQ-ZWNOBZJWSA-N 0 0 279.315 3.288 10 5 CGBERN CC[C@H]1CCCC[C@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454368 523066423 /nfs/dbraw/zinc/06/64/23/523066423.db2.gz SJIAAVFOKIFJHP-DTWKUNHWSA-N 0 0 285.731 3.386 10 5 CGBERN CC[C@H]1CC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161520451 523202608 /nfs/dbraw/zinc/20/26/08/523202608.db2.gz WWSWANZGKHZAMP-QWRGUYRKSA-N 0 0 291.351 3.040 10 5 CGBERN COc1ccc(C)cc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840333 523846326 /nfs/dbraw/zinc/84/63/26/523846326.db2.gz YIBGHPXDYOOFMK-UHFFFAOYSA-N 0 0 273.292 3.238 10 5 CGBERN Cc1ccccc1[C@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000062140016 525433131 /nfs/dbraw/zinc/43/31/31/525433131.db2.gz FVZWUHLUPQNUKB-OAHLLOKOSA-N 0 0 257.289 3.179 10 5 CGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC000052840160 525712916 /nfs/dbraw/zinc/71/29/16/525712916.db2.gz IALXDUFEOWTLJF-SNVBAGLBSA-N 0 0 257.293 3.350 10 5 CGBERN C[C@@H](O)Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000062771452 525844563 /nfs/dbraw/zinc/84/45/63/525844563.db2.gz ADQJSAGHKJMRGM-MRVPVSSYSA-N 0 0 281.695 3.432 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccnc(Cl)n2)c(Cl)c1 ZINC000054917673 527373869 /nfs/dbraw/zinc/37/38/69/527373869.db2.gz PRUJPKWQAFRROW-UHFFFAOYSA-N 0 0 286.074 3.484 10 5 CGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2O)c(C(F)F)c1 ZINC000089166838 623603498 /nfs/dbraw/zinc/60/34/98/623603498.db2.gz CEVRZYCBBRQOIA-PRHODGIISA-N 0 0 286.278 3.105 10 5 CGBERN CC(C)(C)COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000102145229 634544299 /nfs/dbraw/zinc/54/42/99/634544299.db2.gz GLJRLNDORFUBDB-UHFFFAOYSA-N 0 0 283.349 3.276 10 5 CGBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000129610829 636321102 /nfs/dbraw/zinc/32/11/02/636321102.db2.gz VZGUPXZGZWSEEG-JTQLQIEISA-N 0 0 284.743 3.413 10 5 CGBERN CCC(CC)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588435812 799693566 /nfs/dbraw/zinc/69/35/66/799693566.db2.gz STZKRDMEXALZOB-KHPPLWFESA-N 0 0 276.336 3.303 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1/C=C1/N=C(C(C)(C)C)OC1=O ZINC000588436219 799693890 /nfs/dbraw/zinc/69/38/90/799693890.db2.gz SGAKDOQKNIXESP-XYOKQWHBSA-N 0 0 288.303 3.246 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccn1 ZINC000588437284 799694064 /nfs/dbraw/zinc/69/40/64/799694064.db2.gz ACIKWLIENGMCGH-QXMHVHEDSA-N 0 0 297.314 3.056 10 5 CGBERN COc1cccc2cc([C@@H](O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000095848996 185029917 /nfs/dbraw/zinc/02/99/17/185029917.db2.gz QOSOLPHYDKDOFL-HNNXBMFYSA-N 0 0 299.282 3.431 10 5 CGBERN COc1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000591991874 346954063 /nfs/dbraw/zinc/95/40/63/346954063.db2.gz HLGQMXUKHKDBDF-HBNTYKKESA-N 0 0 262.309 3.204 10 5 CGBERN COC(=O)[C@](C)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000034316292 344938505 /nfs/dbraw/zinc/93/85/05/344938505.db2.gz HPAJCDJXFNVECX-MRXNPFEDSA-N 0 0 285.299 3.074 10 5 CGBERN COc1ccc(C(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000038127019 344954939 /nfs/dbraw/zinc/95/49/39/344954939.db2.gz CBFIZXLUXQZRCA-UHFFFAOYSA-N 0 0 271.272 3.029 10 5 CGBERN COc1ccc(NC(=S)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000039155501 344958174 /nfs/dbraw/zinc/95/81/74/344958174.db2.gz PXIDLXRTJPTGLD-UHFFFAOYSA-N 0 0 288.328 3.391 10 5 CGBERN COc1c(C=O)cccc1-c1cccc([N+](=O)[O-])c1 ZINC000036431299 344943882 /nfs/dbraw/zinc/94/38/82/344943882.db2.gz RTYVNQSKWNUSCM-UHFFFAOYSA-N 0 0 257.245 3.083 10 5 CGBERN Cc1c(C(=O)N2CC[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000163009073 232255909 /nfs/dbraw/zinc/25/59/09/232255909.db2.gz HORSYBILSKWUSR-NEPJUHHUSA-N 0 0 290.363 3.411 10 5 CGBERN O=[N+]([O-])C[C@@H](c1ccc[nH]1)c1ccccc1Br ZINC000143709948 346115689 /nfs/dbraw/zinc/11/56/89/346115689.db2.gz OZIALEQTCNNIGA-SNVBAGLBSA-N 0 0 295.136 3.186 10 5 CGBERN CC(C)CO[P@](C)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000220868373 346296560 /nfs/dbraw/zinc/29/65/60/346296560.db2.gz NPRXJVHIHPKOIL-SFHVURJKSA-N 0 0 273.225 3.469 10 5 CGBERN O=[N+]([O-])c1c(F)cc(C(F)F)cc1Br ZINC000307169311 346460390 /nfs/dbraw/zinc/46/03/90/346460390.db2.gz XUCFVGATDHTJLC-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN C[C@@H](Nc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1Cl ZINC000312441951 346476680 /nfs/dbraw/zinc/47/66/80/346476680.db2.gz CFPVXTYBNTYFRT-MRVPVSSYSA-N 0 0 292.726 3.399 10 5 CGBERN Nc1c([N+](=O)[O-])ccc(C(F)(F)F)c1C(F)(F)F ZINC000514264254 346636318 /nfs/dbraw/zinc/63/63/18/346636318.db2.gz PDGZLFPFYHLPIX-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN CC(C)(COCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000584593046 346686421 /nfs/dbraw/zinc/68/64/21/346686421.db2.gz IXCWZPTXRANVCJ-UHFFFAOYSA-N 0 0 277.242 3.293 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000596082117 347380226 /nfs/dbraw/zinc/38/02/26/347380226.db2.gz GQGONJONPIMFSC-NXEZZACHSA-N 0 0 286.278 3.248 10 5 CGBERN C[C@H]1CC(CNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000359930647 233397202 /nfs/dbraw/zinc/39/72/02/233397202.db2.gz FFGMBSXJICTSRA-UWVGGRQHSA-N 0 0 282.315 3.349 10 5 CGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C(C)C ZINC000156065115 188241888 /nfs/dbraw/zinc/24/18/88/188241888.db2.gz RZWQLWLZMFUUIQ-JTQLQIEISA-N 0 0 265.313 3.069 10 5 CGBERN Cc1ccc([C@@](C)(O)CNc2c(C)cccc2[N+](=O)[O-])o1 ZINC000301420112 201002312 /nfs/dbraw/zinc/00/23/12/201002312.db2.gz NFHJVHYWRZPEIN-HNNXBMFYSA-N 0 0 290.319 3.124 10 5 CGBERN CO[C@@H]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301787841 201198622 /nfs/dbraw/zinc/19/86/22/201198622.db2.gz QAFNALWZOXGIJA-NXEZZACHSA-N 0 0 285.731 3.013 10 5 CGBERN CC(C)(C)[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000310710579 374221650 /nfs/dbraw/zinc/22/16/50/374221650.db2.gz KMJVDNSEUQTNDD-NSHDSACASA-N 0 0 273.716 3.034 10 5 CGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1OC(F)F ZINC000575661381 377938878 /nfs/dbraw/zinc/93/88/78/377938878.db2.gz NQEIUWIKEKJELW-UHFFFAOYSA-N 0 0 275.104 3.354 10 5 CGBERN COc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1C(F)F ZINC000575670929 377947501 /nfs/dbraw/zinc/94/75/01/377947501.db2.gz FSEHWTONKXSLEY-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN COc1c(Cl)c([N+](=O)[O-])ccc1Br ZINC000575676685 377952124 /nfs/dbraw/zinc/95/21/24/377952124.db2.gz DRSDGQSDPPBVMW-UHFFFAOYSA-N 0 0 266.478 3.019 10 5 CGBERN CC(=O)c1c(Cl)c([N+](=O)[O-])ccc1Br ZINC000575678787 377953123 /nfs/dbraw/zinc/95/31/23/377953123.db2.gz ZGZJQUVJMLMUCR-UHFFFAOYSA-N 0 0 278.489 3.213 10 5 CGBERN O=[N+]([O-])c1cnc(-c2ccccc2F)cc1Cl ZINC000575434006 377908734 /nfs/dbraw/zinc/90/87/34/377908734.db2.gz DDVHLXXDXYJBPP-UHFFFAOYSA-N 0 0 252.632 3.449 10 5 CGBERN COc1cc(C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000575684258 377959433 /nfs/dbraw/zinc/95/94/33/377959433.db2.gz DGPLFIDSKZYECD-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN COc1cc(Br)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575686581 377961205 /nfs/dbraw/zinc/96/12/05/377961205.db2.gz PVDOHKXHMDSMRB-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN CCOc1cc(C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000575699213 377971769 /nfs/dbraw/zinc/97/17/69/377971769.db2.gz RIMSBIICWKFEHF-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl ZINC000575712722 377981608 /nfs/dbraw/zinc/98/16/08/377981608.db2.gz KOGVYRCCIQSQQT-UHFFFAOYSA-N 0 0 283.589 3.054 10 5 CGBERN C[C@H]1[N@H+](Cc2csc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000408203399 379998030 /nfs/dbraw/zinc/99/80/30/379998030.db2.gz KWWBHOHCZJWCKR-LLVKDONJSA-N 0 0 296.392 3.047 10 5 CGBERN O=[N+]([O-])c1ccc2nc(N3C[C@@H]4CCC[C@@H]4C3)ccc2c1 ZINC000301626368 285150983 /nfs/dbraw/zinc/15/09/83/285150983.db2.gz ZZQFKVQYAFTVDV-BETUJISGSA-N 0 0 283.331 3.379 10 5 CGBERN CSc1c(Br)c(C)ccc1[N+](=O)[O-] ZINC000306622134 392642129 /nfs/dbraw/zinc/64/21/29/392642129.db2.gz AOBBCLIQKYMSRR-UHFFFAOYSA-N 0 0 262.128 3.388 10 5 CGBERN CCS[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000078586396 165134927 /nfs/dbraw/zinc/13/49/27/165134927.db2.gz BBZKLBPFUBATFW-VHSXEESVSA-N 0 0 267.354 3.076 10 5 CGBERN CCOc1ccc(NC(=O)CC2CCC2)c([N+](=O)[O-])c1 ZINC000005316736 170085322 /nfs/dbraw/zinc/08/53/22/170085322.db2.gz QQVNUHBBMVFIPW-UHFFFAOYSA-N 0 0 278.308 3.122 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccccc2F)c(CO)c1 ZINC000020468758 171210671 /nfs/dbraw/zinc/21/06/71/171210671.db2.gz LXXJSRGAMQASOU-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN C[C@H]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000020517216 171232790 /nfs/dbraw/zinc/23/27/90/171232790.db2.gz KZXBHHYCNFTDQZ-GXFFZTMASA-N 0 0 263.293 3.365 10 5 CGBERN COc1cc([N+](=O)[O-])ccc1NCc1cccc(F)c1 ZINC000035053508 171954773 /nfs/dbraw/zinc/95/47/73/171954773.db2.gz ZNRCTRFYUVANME-UHFFFAOYSA-N 0 0 276.267 3.355 10 5 CGBERN Cc1cccc(CNc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000035229896 172070194 /nfs/dbraw/zinc/07/01/94/172070194.db2.gz SDRIQFRPYVFQKO-UHFFFAOYSA-N 0 0 286.287 3.244 10 5 CGBERN C[C@@H](O)c1ccccc1OCCc1ccc([N+](=O)[O-])cc1 ZINC000035677871 172348530 /nfs/dbraw/zinc/34/85/30/172348530.db2.gz YWUGREBJLXGHJC-GFCCVEGCSA-N 0 0 287.315 3.270 10 5 CGBERN CCOc1ccccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037195827 173024425 /nfs/dbraw/zinc/02/44/25/173024425.db2.gz GBNYZQPUVVCDHD-UHFFFAOYSA-N 0 0 262.265 3.199 10 5 CGBERN CC[C@@H](C)[C@@H](C)Nc1cc([N+](=O)[O-])ccc1OC ZINC000037413929 173191221 /nfs/dbraw/zinc/19/12/21/173191221.db2.gz VDCVPEOPYCEZDD-NXEZZACHSA-N 0 0 252.314 3.450 10 5 CGBERN O=[N+]([O-])c1cccc(Oc2ccc(F)cc2CO)c1 ZINC000038080444 174090038 /nfs/dbraw/zinc/09/00/38/174090038.db2.gz NOUKNPFGJJYFQQ-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN O=[N+]([O-])c1ccc(Oc2ccccc2CO)c(F)c1 ZINC000038082107 174091150 /nfs/dbraw/zinc/09/11/50/174091150.db2.gz NATOLHSOCPLMQC-UHFFFAOYSA-N 0 0 263.224 3.019 10 5 CGBERN CCOc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571329 174338299 /nfs/dbraw/zinc/33/82/99/174338299.db2.gz MTPRHMLCWKJJLW-UHFFFAOYSA-N 0 0 294.698 3.181 10 5 CGBERN CC(C)(C)Nc1ncnc(OC2CCCCC2)c1[N+](=O)[O-] ZINC000040581928 174345192 /nfs/dbraw/zinc/34/51/92/174345192.db2.gz RNDDZDLJRPFICI-UHFFFAOYSA-N 0 0 294.355 3.307 10 5 CGBERN CCOc1ncnc(Nc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040583068 174345534 /nfs/dbraw/zinc/34/55/34/174345534.db2.gz KEIHLWXGDYAGIT-UHFFFAOYSA-N 0 0 288.307 3.144 10 5 CGBERN CNc1ncnc(Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000040588387 174345905 /nfs/dbraw/zinc/34/59/05/174345905.db2.gz OUSJPFHKXOENPP-UHFFFAOYSA-N 0 0 293.714 3.132 10 5 CGBERN CCOc1cc(N)c2nc3ccc([N+](=O)[O-])cc3cc2c1 ZINC000045167822 175319388 /nfs/dbraw/zinc/31/93/88/175319388.db2.gz BVYQKJUFMFNOJQ-UHFFFAOYSA-N 0 0 283.287 3.277 10 5 CGBERN Cc1nc(N2CCC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301651203 279091159 /nfs/dbraw/zinc/09/11/59/279091159.db2.gz QDTNBAQSEIZJCF-TZMCWYRMSA-N 0 0 275.352 3.457 10 5 CGBERN CCNc1ccc(CO[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000050833264 520304029 /nfs/dbraw/zinc/30/40/29/520304029.db2.gz RURNWKLDKPCWJV-JTQLQIEISA-N 0 0 252.314 3.342 10 5 CGBERN C[C@@H]1CCC[C@@H](SCC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054693234 524320734 /nfs/dbraw/zinc/32/07/34/524320734.db2.gz DOBNDTWAJTUTCT-MWLCHTKSSA-N 0 0 282.365 3.418 10 5 CGBERN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2N)cc1 ZINC000052840246 524618274 /nfs/dbraw/zinc/61/82/74/524618274.db2.gz UQKSPUQVVZQTIL-UHFFFAOYSA-N 0 0 257.293 3.098 10 5 CGBERN C[C@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840949 524764246 /nfs/dbraw/zinc/76/42/46/524764246.db2.gz FFNDXCCOASDLQQ-SECBINFHSA-N 0 0 277.349 3.282 10 5 CGBERN C[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC000052119530 525698767 /nfs/dbraw/zinc/69/87/67/525698767.db2.gz HIPXZYXFJVNIAS-SECBINFHSA-N 0 0 261.256 3.302 10 5 CGBERN Nc1ccc(COC2CCCCC2)cc1[N+](=O)[O-] ZINC000050830287 527481933 /nfs/dbraw/zinc/48/19/33/527481933.db2.gz FCXUSZGKTKKMEF-UHFFFAOYSA-N 0 0 250.298 3.026 10 5 CGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(C)C ZINC000234022294 617739261 /nfs/dbraw/zinc/73/92/61/617739261.db2.gz JMNFRBFTNNRYQP-LBPRGKRZSA-N 0 0 282.315 3.207 10 5 CGBERN CC(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633053 619207403 /nfs/dbraw/zinc/20/74/03/619207403.db2.gz RPMFRLOEWNEGDC-NSHDSACASA-N 0 0 296.754 3.049 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CCCC[C@@H]1O ZINC000124785700 634506101 /nfs/dbraw/zinc/50/61/01/634506101.db2.gz OWNRWEMWYQOCRE-ZANVPECISA-N 0 0 284.743 3.211 10 5 CGBERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139432262 637723115 /nfs/dbraw/zinc/72/31/15/637723115.db2.gz UEKPIYUFYFXREW-LDYMZIIASA-N 0 0 282.727 3.167 10 5 CGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000248292291 640751872 /nfs/dbraw/zinc/75/18/72/640751872.db2.gz WWNFJVZTNMUAGU-SUNKGSAMSA-N 0 0 293.319 3.075 10 5 CGBERN C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1cccs1 ZINC000015129765 640972895 /nfs/dbraw/zinc/97/28/95/640972895.db2.gz KBFOURLSPFJNBI-ZETCQYMHSA-N 0 0 290.304 3.366 10 5 CGBERN CC(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1O ZINC000034068071 344937335 /nfs/dbraw/zinc/93/73/35/344937335.db2.gz JAAKKBZIAFDTMV-UHFFFAOYSA-N 0 0 287.271 3.082 10 5 CGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000035333421 344942174 /nfs/dbraw/zinc/94/21/74/344942174.db2.gz FCCOLGRTHIIOJP-UHFFFAOYSA-N 0 0 264.064 3.078 10 5 CGBERN Cc1ccnc(NC[C@@H](C)Nc2ccccc2)c1[N+](=O)[O-] ZINC000084927975 345743624 /nfs/dbraw/zinc/74/36/24/345743624.db2.gz WWCQWVBVUUCZLB-GFCCVEGCSA-N 0 0 286.335 3.211 10 5 CGBERN Cc1ccnc(NC[C@H](C)Nc2ccccc2)c1[N+](=O)[O-] ZINC000084927976 345743722 /nfs/dbraw/zinc/74/37/22/345743722.db2.gz WWCQWVBVUUCZLB-LBPRGKRZSA-N 0 0 286.335 3.211 10 5 CGBERN O=C(OCc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC000116382830 345977574 /nfs/dbraw/zinc/97/75/74/345977574.db2.gz MTZGHFNMERSYFQ-UHFFFAOYSA-N 0 0 298.298 3.247 10 5 CGBERN CCOC(=O)c1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000118848935 345991050 /nfs/dbraw/zinc/99/10/50/345991050.db2.gz PJWBGXXRROZLED-LLVKDONJSA-N 0 0 292.335 3.150 10 5 CGBERN COC(=O)c1ccc(-c2ccccc2F)c([N+](=O)[O-])c1 ZINC000130019736 346053690 /nfs/dbraw/zinc/05/36/90/346053690.db2.gz ZDIMECVZAAOHCG-UHFFFAOYSA-N 0 0 275.235 3.188 10 5 CGBERN Cc1ccccc1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152471549 346141938 /nfs/dbraw/zinc/14/19/38/346141938.db2.gz SPFDGRJLYAAERL-ZDUSSCGKSA-N 0 0 298.342 3.323 10 5 CGBERN CC/C(=C\c1cc(OC)c(CC)cc1OC)[N+](=O)[O-] ZINC000146100601 346122146 /nfs/dbraw/zinc/12/21/46/346122146.db2.gz KAQOKPIYOCRRTD-KPKJPENVSA-N 0 0 265.309 3.294 10 5 CGBERN O=[N+]([O-])C[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000196383004 346275929 /nfs/dbraw/zinc/27/59/29/346275929.db2.gz DEQFCKVCMYRTMR-QMMMGPOBSA-N 0 0 268.527 3.417 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)cc(F)c1Br ZINC000306912452 346458924 /nfs/dbraw/zinc/45/89/24/346458924.db2.gz MPLIPRIXXXWKGT-UHFFFAOYSA-N 0 0 270.004 3.434 10 5 CGBERN Cc1cc([C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])on1 ZINC000584645766 346703477 /nfs/dbraw/zinc/70/34/77/346703477.db2.gz DRXRVSNTTWVNFV-MRVPVSSYSA-N 0 0 266.228 3.170 10 5 CGBERN COC(=O)c1c(C)cnc2c3ccccc3ccc21 ZINC000584597678 346688441 /nfs/dbraw/zinc/68/84/41/346688441.db2.gz NUTDFHJSPFUBLZ-UHFFFAOYSA-N 0 0 251.285 3.483 10 5 CGBERN O=[N+]([O-])c1cc(Br)ccc1N1C[C@@H]2CCC[C@@H]21 ZINC000609964239 348359503 /nfs/dbraw/zinc/35/95/03/348359503.db2.gz NBPDRDYCQZCRDZ-WPRPVWTQSA-N 0 0 297.152 3.346 10 5 CGBERN O=[N+]([O-])c1ccc(F)cc1NC1Cc2ccccc2C1 ZINC000149026318 187920057 /nfs/dbraw/zinc/92/00/57/187920057.db2.gz KZRZTVOWTMCIIS-UHFFFAOYSA-N 0 0 272.279 3.313 10 5 CGBERN Cc1csc(CN(C)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000301457167 201016111 /nfs/dbraw/zinc/01/61/11/201016111.db2.gz CGKVCDYGRUOAGG-UHFFFAOYSA-N 0 0 277.349 3.305 10 5 CGBERN COc1cc(N[C@@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000301794788 201201045 /nfs/dbraw/zinc/20/10/45/201201045.db2.gz STVJXCPVICYLBP-ZJUUUORDSA-N 0 0 298.314 3.112 10 5 CGBERN Cc1nc(CNc2cccc(F)c2[N+](=O)[O-])c(C)s1 ZINC000301825777 201221241 /nfs/dbraw/zinc/22/12/41/201221241.db2.gz DWKZSIJSAITQKL-UHFFFAOYSA-N 0 0 281.312 3.419 10 5 CGBERN CC(C)CC1(CNc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302013509 201299643 /nfs/dbraw/zinc/29/96/43/201299643.db2.gz BGCDYSOAMBVVDD-UHFFFAOYSA-N 0 0 278.352 3.325 10 5 CGBERN CS[C@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302023760 201305465 /nfs/dbraw/zinc/30/54/65/201305465.db2.gz GTOVXMDDODIXCN-NEPJUHHUSA-N 0 0 296.392 3.173 10 5 CGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000302069769 201331279 /nfs/dbraw/zinc/33/12/79/201331279.db2.gz VKURXKWGMIFHIX-LSDHHAIUSA-N 0 0 298.342 3.303 10 5 CGBERN COC1(CNc2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000302823939 201567426 /nfs/dbraw/zinc/56/74/26/201567426.db2.gz WDCMZRWCGJEZNI-UHFFFAOYSA-N 0 0 282.315 3.495 10 5 CGBERN CCC[C@H]1C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227286323 189782504 /nfs/dbraw/zinc/78/25/04/189782504.db2.gz JZDVKPINDGDYPN-CBAPKCEASA-N 0 0 255.705 3.244 10 5 CGBERN Cc1cc([N+](=O)[O-])cnc1NCCCCC(F)(F)F ZINC000128951818 370967633 /nfs/dbraw/zinc/96/76/33/370967633.db2.gz HILVIOYTVUPEIR-UHFFFAOYSA-N 0 0 277.246 3.443 10 5 CGBERN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000054150666 369495506 /nfs/dbraw/zinc/49/55/06/369495506.db2.gz SHJHXTMBZOLMNQ-SECBINFHSA-N 0 0 292.266 3.126 10 5 CGBERN O=[N+]([O-])c1ccccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301198985 373688323 /nfs/dbraw/zinc/68/83/23/373688323.db2.gz PIIYSWDMOBSCQT-ZDUSSCGKSA-N 0 0 283.331 3.286 10 5 CGBERN COc1cc(SC(C)C)c(OC)cc1C[C@H](C)[N+](=O)[O-] ZINC000261508395 190040072 /nfs/dbraw/zinc/04/00/72/190040072.db2.gz RXXBKDSFQAKEHB-JTQLQIEISA-N 0 0 299.392 3.412 10 5 CGBERN Cc1cnc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000226547177 376363464 /nfs/dbraw/zinc/36/34/64/376363464.db2.gz SXKVSFQHZFUUCK-SSDOTTSWSA-N 0 0 283.234 3.343 10 5 CGBERN Cc1cnc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000227556163 376398450 /nfs/dbraw/zinc/39/84/50/376398450.db2.gz IFDKDWIFJOXGHU-NSHDSACASA-N 0 0 275.308 3.050 10 5 CGBERN O=[N+]([O-])c1cccc(OC(F)(F)F)c1C(F)F ZINC000575345623 377885216 /nfs/dbraw/zinc/88/52/16/377885216.db2.gz HCZVRAMYIMAIOX-UHFFFAOYSA-N 0 0 257.114 3.431 10 5 CGBERN O=Cc1cc([N+](=O)[O-])c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575379844 377891600 /nfs/dbraw/zinc/89/16/00/377891600.db2.gz NLSJYJLTQYNRCB-UHFFFAOYSA-N 0 0 287.115 3.445 10 5 CGBERN O=Cc1c(OC(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575665977 377943211 /nfs/dbraw/zinc/94/32/11/377943211.db2.gz HKOXFRJIZHZLQH-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=Cc1c([N+](=O)[O-])cc(OC(F)F)cc1C(F)(F)F ZINC000575667971 377945146 /nfs/dbraw/zinc/94/51/46/377945146.db2.gz SQZYYBQSFYAQEN-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN CCOc1c(C(F)F)cc(C(C)=O)cc1[N+](=O)[O-] ZINC000575668426 377946389 /nfs/dbraw/zinc/94/63/89/377946389.db2.gz XNZMWCDVBCNIIG-UHFFFAOYSA-N 0 0 259.208 3.134 10 5 CGBERN COc1cc(C(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575672319 377948703 /nfs/dbraw/zinc/94/87/03/377948703.db2.gz YJRJIDDZILRXLS-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1C ZINC000575674816 377949610 /nfs/dbraw/zinc/94/96/10/377949610.db2.gz UYMSPANNYCETEU-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN CC(=O)c1cc(C)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575679166 377952967 /nfs/dbraw/zinc/95/29/67/377952967.db2.gz NDDFLNRGJOLFGP-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN COc1cc(C(F)F)c(Br)c([N+](=O)[O-])c1 ZINC000575685281 377960420 /nfs/dbraw/zinc/96/04/20/377960420.db2.gz KGUNRVLSLYISEP-UHFFFAOYSA-N 0 0 282.040 3.304 10 5 CGBERN O=Cc1cc(C(F)F)cc([N+](=O)[O-])c1Br ZINC000575687104 377962150 /nfs/dbraw/zinc/96/21/50/377962150.db2.gz UKWAVZRYRMHFGX-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN O=Cc1c(Br)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575688166 377963407 /nfs/dbraw/zinc/96/34/07/377963407.db2.gz YKIPNGOUJXWTKZ-UHFFFAOYSA-N 0 0 280.024 3.107 10 5 CGBERN CCOc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F ZINC000575697229 377970745 /nfs/dbraw/zinc/97/07/45/377970745.db2.gz AKSRAOBWCUSCDP-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C(C)=O ZINC000575699282 377971733 /nfs/dbraw/zinc/97/17/33/377971733.db2.gz SIUTZFPDUYJNKO-UHFFFAOYSA-N 0 0 277.198 3.215 10 5 CGBERN COc1cccc(-c2oc3ccccc3c(=O)c2[N+](=O)[O-])c1 ZINC000039119536 286438850 /nfs/dbraw/zinc/43/88/50/286438850.db2.gz MQVAZWJYMVOJBR-UHFFFAOYSA-N 0 0 297.266 3.377 10 5 CGBERN CC[C@@H](CO)n1c2ccc([N+](=O)[O-])cc2nc1C(C)C ZINC000005928792 170156621 /nfs/dbraw/zinc/15/66/21/170156621.db2.gz UWDGPKCYJCJOAG-JTQLQIEISA-N 0 0 277.324 3.011 10 5 CGBERN C[C@@H]1CCC[C@@H](C)N1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998173 170394316 /nfs/dbraw/zinc/39/43/16/170394316.db2.gz ZUDNETGFEAPEMH-VXGBXAGGSA-N 0 0 276.336 3.040 10 5 CGBERN C[C@@H](O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000035631354 172313622 /nfs/dbraw/zinc/31/36/22/172313622.db2.gz JWXLZDXZGCQSEK-LLVKDONJSA-N 0 0 284.315 3.342 10 5 CGBERN Cc1cc(Oc2ccccc2CO)ccc1[N+](=O)[O-] ZINC000038080942 174090466 /nfs/dbraw/zinc/09/04/66/174090466.db2.gz QPZZYTOEUIGDQQ-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN CCNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000040596210 174348955 /nfs/dbraw/zinc/34/89/55/174348955.db2.gz WHEQXANRRJYQHQ-UHFFFAOYSA-N 0 0 291.355 3.119 10 5 CGBERN CCOc1ncnc(Sc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040650328 174364987 /nfs/dbraw/zinc/36/49/87/174364987.db2.gz KEBJNOBGFMEWNF-UHFFFAOYSA-N 0 0 291.332 3.243 10 5 CGBERN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000048402584 175432159 /nfs/dbraw/zinc/43/21/59/175432159.db2.gz VMCATYOHMAIVCA-UHFFFAOYSA-N 0 0 281.651 3.103 10 5 CGBERN CCc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cc1 ZINC000222984641 260254666 /nfs/dbraw/zinc/25/46/66/260254666.db2.gz FEILRDMLLRYPGS-UHFFFAOYSA-N 0 0 271.320 3.473 10 5 CGBERN Cc1c(Cl)c(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000498050260 262218515 /nfs/dbraw/zinc/21/85/15/262218515.db2.gz SYLUYXLDZLJZTA-UHFFFAOYSA-N 0 0 251.025 3.118 10 5 CGBERN Cc1ccnc(N2CCCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000408443379 302269810 /nfs/dbraw/zinc/26/98/10/302269810.db2.gz NGZUPQVCOSDBGI-UHFFFAOYSA-N 0 0 263.341 3.315 10 5 CGBERN O=[N+]([O-])c1ccc(F)c(-c2n[nH]cc2C(F)(F)F)c1 ZINC000536958471 330383744 /nfs/dbraw/zinc/38/37/44/330383744.db2.gz KLESXFBJBLPFNX-UHFFFAOYSA-N 0 0 275.161 3.143 10 5 CGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000163236868 534333886 /nfs/dbraw/zinc/33/38/86/534333886.db2.gz JVSOJEGSUDUEIH-NWDGAFQWSA-N 0 0 290.363 3.411 10 5 CGBERN CCOCCCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809848 521697641 /nfs/dbraw/zinc/69/76/41/521697641.db2.gz PHJULDIIBUILJJ-GFCCVEGCSA-N 0 0 295.335 3.324 10 5 CGBERN CC[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161427612 523016486 /nfs/dbraw/zinc/01/64/86/523016486.db2.gz YAAYSQFFENZKDK-NSHDSACASA-N 0 0 291.351 3.041 10 5 CGBERN COc1ccc([N+](=O)[O-])c(Sc2ccc(O)cc2)c1 ZINC000155930690 525452463 /nfs/dbraw/zinc/45/24/63/525452463.db2.gz FUECTDMYACNORR-UHFFFAOYSA-N 0 0 277.301 3.460 10 5 CGBERN C[C@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cc1N ZINC000052841103 526156079 /nfs/dbraw/zinc/15/60/79/526156079.db2.gz BGOKDFXETNFNIE-SECBINFHSA-N 0 0 277.349 3.436 10 5 CGBERN C[C@H]1CC=CC[C@@H]1COc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454463 526235661 /nfs/dbraw/zinc/23/56/61/526235661.db2.gz QXOOYKPSQAPFFA-DTWKUNHWSA-N 0 0 283.715 3.019 10 5 CGBERN CN(C)C(=O)Sc1cc([N+](=O)[O-])ccc1Cl ZINC000238850820 567006412 /nfs/dbraw/zinc/00/64/12/567006412.db2.gz CVHAQCTZCITUBH-UHFFFAOYSA-N 0 0 260.702 3.022 10 5 CGBERN CC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000111691201 618947973 /nfs/dbraw/zinc/94/79/73/618947973.db2.gz BLDFTMXZMJFZIZ-JTQLQIEISA-N 0 0 298.289 3.338 10 5 CGBERN CCC[C@@H]1C[C@H]1Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000233310755 624619747 /nfs/dbraw/zinc/61/97/47/624619747.db2.gz FAHQFAMLJLXWTR-NXEZZACHSA-N 0 0 280.324 3.213 10 5 CGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000125209476 634655089 /nfs/dbraw/zinc/65/50/89/634655089.db2.gz MLKAHUMHBCLTIJ-LDYMZIIASA-N 0 0 299.710 3.030 10 5 CGBERN Cc1ccc([C@@H](C)OC(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000126183049 634907590 /nfs/dbraw/zinc/90/75/90/634907590.db2.gz QFOMLMBPUNBBSO-SNVBAGLBSA-N 0 0 263.293 3.308 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncccc1C ZINC000588435820 799693731 /nfs/dbraw/zinc/69/37/31/799693731.db2.gz FKOQHVGUDHGAPO-BENRWUELSA-N 0 0 297.314 3.340 10 5 CGBERN CC=C(CC)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000588573287 799715709 /nfs/dbraw/zinc/71/57/09/799715709.db2.gz WKPBZUPMWPBJMC-WCIBSUBMSA-N 0 0 299.330 3.168 10 5 CGBERN O=[N+]([O-])c1cc(F)cc(F)c1NCc1ccco1 ZINC000083397730 178409176 /nfs/dbraw/zinc/40/91/76/178409176.db2.gz OCDOUOZOHPOEOJ-UHFFFAOYSA-N 0 0 254.192 3.078 10 5 CGBERN CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000148490672 529681353 /nfs/dbraw/zinc/68/13/53/529681353.db2.gz JBJHESXPRGLZTR-VIFPVBQESA-N 0 0 257.721 3.490 10 5 CGBERN COc1ccc2c(=O)c3ccccc3oc2c1CN(C)C ZINC000005599723 344861883 /nfs/dbraw/zinc/86/18/83/344861883.db2.gz QVNSEBXRCVOBNX-UHFFFAOYSA-N 0 0 283.327 3.016 10 5 CGBERN COC(=O)[C@@](C)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000034316293 344938241 /nfs/dbraw/zinc/93/82/41/344938241.db2.gz HPAJCDJXFNVECX-INIZCTEOSA-N 0 0 285.299 3.074 10 5 CGBERN CCOC(=O)CCCCCc1cccc([N+](=O)[O-])c1 ZINC000036428739 344944061 /nfs/dbraw/zinc/94/40/61/344944061.db2.gz KKMYDDDOPAWBHZ-UHFFFAOYSA-N 0 0 265.309 3.261 10 5 CGBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000080649593 345681384 /nfs/dbraw/zinc/68/13/84/345681384.db2.gz KBXHXQMMKOUUGS-PHIMTYICSA-N 0 0 292.310 3.145 10 5 CGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000092961213 345864853 /nfs/dbraw/zinc/86/48/53/345864853.db2.gz PQMASDXAKHNPCT-CQSZACIVSA-N 0 0 292.722 3.394 10 5 CGBERN Cc1ccccc1[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000159316938 346166826 /nfs/dbraw/zinc/16/68/26/346166826.db2.gz UXICUACLVWQNOL-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000169201991 346192089 /nfs/dbraw/zinc/19/20/89/346192089.db2.gz YWBDUPJUFXDIFK-UHFFFAOYSA-N 0 0 274.120 3.215 10 5 CGBERN C[Si](C)(C)CCOCn1cc2c(cccc2[N+](=O)[O-])n1 ZINC000204340234 346281948 /nfs/dbraw/zinc/28/19/48/346281948.db2.gz HSLQYNMGXLFJAU-UHFFFAOYSA-N 0 0 293.399 3.257 10 5 CGBERN O=[N+]([O-])c1ccc2[nH]nc(Nc3ccccc3)c2c1 ZINC000098178428 185698251 /nfs/dbraw/zinc/69/82/51/185698251.db2.gz IKRXCRGUTCYVAV-UHFFFAOYSA-N 0 0 254.249 3.215 10 5 CGBERN O=[N+]([O-])c1c(F)c(Br)ccc1OC(F)F ZINC000396043262 346578771 /nfs/dbraw/zinc/57/87/71/346578771.db2.gz UYRMAXQIZTXIDL-UHFFFAOYSA-N 0 0 286.003 3.098 10 5 CGBERN Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1Cl ZINC000396161434 346580630 /nfs/dbraw/zinc/58/06/30/346580630.db2.gz NVOFMSNHLDLJAW-UHFFFAOYSA-N 0 0 255.579 3.455 10 5 CGBERN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)c([N+](=O)[O-])c1 ZINC000584601006 346689168 /nfs/dbraw/zinc/68/91/68/346689168.db2.gz HPZCIUBUHLVWDZ-MRVPVSSYSA-N 0 0 284.287 3.320 10 5 CGBERN CCCC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000584616594 346693913 /nfs/dbraw/zinc/69/39/13/346693913.db2.gz XRNNMEMQIMZPCO-UHFFFAOYSA-N 0 0 273.292 3.072 10 5 CGBERN O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CCC[C@H](O)C1 ZINC000596082124 347380453 /nfs/dbraw/zinc/38/04/53/347380453.db2.gz GQGONJONPIMFSC-ZJUUUORDSA-N 0 0 286.278 3.248 10 5 CGBERN O=[N+]([O-])c1ccc(Cl)nc1NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104247209 185942562 /nfs/dbraw/zinc/94/25/62/185942562.db2.gz NDBMMZZPSALJIL-AEJSXWLSSA-N 0 0 281.743 3.491 10 5 CGBERN COc1ccc(C(=O)n2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000090531632 179998526 /nfs/dbraw/zinc/99/85/26/179998526.db2.gz PUSKESRFGYNGBX-UHFFFAOYSA-N 0 0 296.282 3.247 10 5 CGBERN CN(CCc1ccccc1)c1cccc(F)c1[N+](=O)[O-] ZINC000108934273 138361001 /nfs/dbraw/zinc/36/10/01/138361001.db2.gz JTPHSXHBLXKXLR-UHFFFAOYSA-N 0 0 274.295 3.413 10 5 CGBERN CCC[C@H]1C[C@H]1Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218866963 138493689 /nfs/dbraw/zinc/49/36/89/138493689.db2.gz FYHJQJBVTFTBRU-WCBMZHEXSA-N 0 0 268.288 3.343 10 5 CGBERN O=C([C@@H]1[C@H]2CC[C@@H]1c1cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000100469146 296088011 /nfs/dbraw/zinc/08/80/11/296088011.db2.gz YLDPGEWKPRHDNY-IQJOONFLSA-N 0 0 285.221 3.317 10 5 CGBERN C[C@@H](C[C@H]1CCCO1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302789589 201554860 /nfs/dbraw/zinc/55/48/60/201554860.db2.gz FDMBIYHILYVNSU-GXSJLCMTSA-N 0 0 268.288 3.103 10 5 CGBERN CCC[C@]1(COC)CCCN1c1ccccc1[N+](=O)[O-] ZINC000302803619 201562092 /nfs/dbraw/zinc/56/20/92/201562092.db2.gz DNWQXLGYFDHKTD-OAHLLOKOSA-N 0 0 278.352 3.380 10 5 CGBERN CCc1nc2c3nc(CC)[nH]c3c3[nH]c(CC)nc3c2[nH]1 ZINC000013678099 368661223 /nfs/dbraw/zinc/66/12/23/368661223.db2.gz LYALQSWCHUWEAF-UHFFFAOYSA-N 0 0 282.351 3.003 10 5 CGBERN COc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000015932513 368704295 /nfs/dbraw/zinc/70/42/95/368704295.db2.gz GPUJVVFHMLJEGY-UHFFFAOYSA-N 0 0 296.286 3.290 10 5 CGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000116041160 370546011 /nfs/dbraw/zinc/54/60/11/370546011.db2.gz SGOOZSFIRYFONR-ZDUSSCGKSA-N 0 0 286.287 3.165 10 5 CGBERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000302651474 373915420 /nfs/dbraw/zinc/91/54/20/373915420.db2.gz BTXSDLVPQXTMSQ-UHFFFAOYSA-N 0 0 275.283 3.074 10 5 CGBERN CC1(C)CC[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])O1 ZINC000302824584 373976791 /nfs/dbraw/zinc/97/67/91/373976791.db2.gz XECZNYFPYHUXNT-JTQLQIEISA-N 0 0 268.288 3.103 10 5 CGBERN Cc1cc(N[C@@H]2CCCC[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000313199794 249089146 /nfs/dbraw/zinc/08/91/46/249089146.db2.gz YKHGVVKEBRDPMH-CMPLNLGQSA-N 0 0 282.315 3.005 10 5 CGBERN Cc1cc(N[C@@H]2CCCCC[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000312877849 249082886 /nfs/dbraw/zinc/08/28/86/249082886.db2.gz ZKVLWUCVVMDVCM-BXUZGUMPSA-N 0 0 282.315 3.148 10 5 CGBERN CC(=O)c1c([N+](=O)[O-])cc(OC(F)F)cc1C(F)(F)F ZINC000575665094 377941775 /nfs/dbraw/zinc/94/17/75/377941775.db2.gz BGHTYHZRMZCIJB-UHFFFAOYSA-N 0 0 299.151 3.418 10 5 CGBERN O=Cc1cc(C(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575665310 377942029 /nfs/dbraw/zinc/94/20/29/377942029.db2.gz CIIHYFZRWHVFFJ-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN O=Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1OC(F)F ZINC000575668222 377945060 /nfs/dbraw/zinc/94/50/60/377945060.db2.gz VDFWYOARGUFMSD-UHFFFAOYSA-N 0 0 285.124 3.028 10 5 CGBERN Cc1cc(OC(F)F)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575667529 377945546 /nfs/dbraw/zinc/94/55/46/377945546.db2.gz ONGLLGCUXKSCKN-UHFFFAOYSA-N 0 0 287.140 3.403 10 5 CGBERN COc1c(OC(F)(F)F)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575672356 377948530 /nfs/dbraw/zinc/94/85/30/377948530.db2.gz ZWFMVMQSBKISMY-UHFFFAOYSA-N 0 0 287.140 3.440 10 5 CGBERN CCOC(=O)c1cc(C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000575673269 377948547 /nfs/dbraw/zinc/94/85/47/377948547.db2.gz HPBPAFZWTOAOPK-UHFFFAOYSA-N 0 0 277.198 3.099 10 5 CGBERN O=Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C(F)F ZINC000575672197 377948737 /nfs/dbraw/zinc/94/87/37/377948737.db2.gz SHZQBOXAYFDVHV-UHFFFAOYSA-N 0 0 285.124 3.244 10 5 CGBERN CC(=O)c1c(C)c(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575679532 377952525 /nfs/dbraw/zinc/95/25/25/377952525.db2.gz WGSWMVCHXHZMGH-UHFFFAOYSA-N 0 0 263.171 3.004 10 5 CGBERN C[N@+]1([O-])CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000575418526 377905920 /nfs/dbraw/zinc/90/59/20/377905920.db2.gz RNFDUEPBVUOHRQ-MSOLQXFVSA-N 0 0 270.352 3.142 10 5 CGBERN CCOc1cc(F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575697707 377970614 /nfs/dbraw/zinc/97/06/14/377970614.db2.gz IJBSEMNJZBHTPC-UHFFFAOYSA-N 0 0 253.151 3.151 10 5 CGBERN CCOc1cc(OC)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575698666 377971358 /nfs/dbraw/zinc/97/13/58/377971358.db2.gz CQYREGMTEXYGNM-UHFFFAOYSA-N 0 0 265.187 3.021 10 5 CGBERN CCc1ccc(O)c(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575705712 377978440 /nfs/dbraw/zinc/97/84/40/377978440.db2.gz JVQUEKUEZVZHCA-UHFFFAOYSA-N 0 0 267.228 3.475 10 5 CGBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2CCC[C@H]21 ZINC000408371948 380007710 /nfs/dbraw/zinc/00/77/10/380007710.db2.gz ACABUYVHOUQXCT-GXFFZTMASA-N 0 0 299.330 3.091 10 5 CGBERN Cc1cc2c(Br)ccc([N+](=O)[O-])c2cn1 ZINC000095942538 392244159 /nfs/dbraw/zinc/24/41/59/392244159.db2.gz HQGGZFKISGZGFK-UHFFFAOYSA-N 0 0 267.082 3.214 10 5 CGBERN CCC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000251095418 131128222 /nfs/dbraw/zinc/12/82/22/131128222.db2.gz CDSOYXZITSPIFW-CQDKDKBSSA-N 0 0 278.352 3.203 10 5 CGBERN CC(C)(C)[C@@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078669984 165136698 /nfs/dbraw/zinc/13/66/98/165136698.db2.gz YMEXCLDTPFWWDK-NSHDSACASA-N 0 0 272.732 3.067 10 5 CGBERN CC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005593244 170117322 /nfs/dbraw/zinc/11/73/22/170117322.db2.gz YASHMODQPXZSSB-SSDOTTSWSA-N 0 0 256.689 3.233 10 5 CGBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC000005869962 170149256 /nfs/dbraw/zinc/14/92/56/170149256.db2.gz NMORLEJKPKPXBK-SNVBAGLBSA-N 0 0 289.262 3.384 10 5 CGBERN Cc1cc(N[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000035693797 172362459 /nfs/dbraw/zinc/36/24/59/172362459.db2.gz JGGQPKCGHMPQEQ-NSHDSACASA-N 0 0 257.293 3.471 10 5 CGBERN O=C(COC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037346226 173143456 /nfs/dbraw/zinc/14/34/56/173143456.db2.gz CTJQCKVFMKHITE-UHFFFAOYSA-N 0 0 263.293 3.127 10 5 CGBERN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc[nH]n1 ZINC000037907452 173839746 /nfs/dbraw/zinc/83/97/46/173839746.db2.gz JCFNOWCHERPRQK-SSDOTTSWSA-N 0 0 266.688 3.144 10 5 CGBERN C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])c1cc[nH]n1 ZINC000037907446 173839928 /nfs/dbraw/zinc/83/99/28/173839928.db2.gz OHMQXQHQLGHXSA-SSDOTTSWSA-N 0 0 266.688 3.144 10 5 CGBERN CCc1ncc(CNc2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000037924362 173862687 /nfs/dbraw/zinc/86/26/87/173862687.db2.gz NWICSOLRLLMDGR-UHFFFAOYSA-N 0 0 281.312 3.365 10 5 CGBERN Cc1c(Oc2ccc(CO)cc2)cccc1[N+](=O)[O-] ZINC000038081613 174090362 /nfs/dbraw/zinc/09/03/62/174090362.db2.gz AQGRKVOIFWBTBU-UHFFFAOYSA-N 0 0 259.261 3.188 10 5 CGBERN CCn1cc(C(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000725270262 544114590 /nfs/dbraw/zinc/11/45/90/544114590.db2.gz KMYBTDCSDSYSEW-UHFFFAOYSA-N 0 0 267.235 3.416 10 5 CGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(C)C ZINC000185011647 270061554 /nfs/dbraw/zinc/06/15/54/270061554.db2.gz YOPGGWLPCXXBKL-GXTWGEPZSA-N 0 0 292.379 3.324 10 5 CGBERN CC(C)C[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302025913 279024229 /nfs/dbraw/zinc/02/42/29/279024229.db2.gz HVQVVMYUCCRPGQ-ZDUSSCGKSA-N 0 0 292.379 3.350 10 5 CGBERN CCCCC[C@@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455376 520289786 /nfs/dbraw/zinc/28/97/86/520289786.db2.gz URZSOQWTFHUECE-MRVPVSSYSA-N 0 0 272.736 3.419 10 5 CGBERN COc1ccc([N+](=O)[O-])c(Sc2ccc(CO)cc2)c1 ZINC000130296619 525452037 /nfs/dbraw/zinc/45/20/37/525452037.db2.gz OFPLKZWNUGSZRB-UHFFFAOYSA-N 0 0 291.328 3.247 10 5 CGBERN Cc1nc(CNc2nc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000049540261 526901107 /nfs/dbraw/zinc/90/11/07/526901107.db2.gz KBSLMSZGJLEXBR-UHFFFAOYSA-N 0 0 284.728 3.020 10 5 CGBERN O=[N+]([O-])c1cccc(-c2nc3c(s2)[C@@H](O)CCC3)c1 ZINC000050330861 527383002 /nfs/dbraw/zinc/38/30/02/527383002.db2.gz VMYQKSDIWZRPQJ-NSHDSACASA-N 0 0 276.317 3.088 10 5 CGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccs1 ZINC000035732158 619067767 /nfs/dbraw/zinc/06/77/67/619067767.db2.gz SQYFFJXWUYPCNF-MRVPVSSYSA-N 0 0 294.307 3.286 10 5 CGBERN CCC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000049121331 619700741 /nfs/dbraw/zinc/70/07/41/619700741.db2.gz KRNCGVVLADKJQJ-UHFFFAOYSA-N 0 0 294.326 3.433 10 5 CGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000168619849 620155244 /nfs/dbraw/zinc/15/52/44/620155244.db2.gz QFKMYWHURMBGOY-LLVKDONJSA-N 0 0 284.743 3.413 10 5 CGBERN CC(C)(C)n1nc(Cl)c([N+](=O)[O-])c1C(F)(F)F ZINC000757568176 630451192 /nfs/dbraw/zinc/45/11/92/630451192.db2.gz LAKGJXXQEQDGEV-UHFFFAOYSA-N 0 0 271.626 3.219 10 5 CGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccnc1 ZINC000588435802 799693375 /nfs/dbraw/zinc/69/33/75/799693375.db2.gz PWFXDLIFFJULEA-XFXZXTDPSA-N 0 0 298.298 3.137 10 5 CGBERN