smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CF)C(=O)[O-] ZINC001609740495 1165062666 /nfs/dbraw/zinc/06/26/66/1165062666.db2.gz JXFLDXRMJCUUJV-MWLCHTKSSA-N 0 0 284.287 1.928 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N(CC1CC1)C1CCC1 ZINC001339468701 1167484106 /nfs/dbraw/zinc/48/41/06/1167484106.db2.gz YYIXTDNOEDMYAI-UHFFFAOYSA-N 0 0 279.344 1.844 20 5 CDBDRN CN(CCCCO)c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001604740869 1167864596 /nfs/dbraw/zinc/86/45/96/1167864596.db2.gz FDQRUGOLPNERFY-UHFFFAOYSA-N 0 0 298.328 1.045 20 5 CDBDRN COC(=O)[C@H](N[C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC001173219856 912302583 /nfs/dbraw/zinc/30/25/83/912302583.db2.gz PVRYJEHHYSAFSK-GIPNMCIBSA-N 0 0 296.323 1.038 20 5 CDBDRN COC(=O)[C@@H](N[C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)=O ZINC001173231538 912304147 /nfs/dbraw/zinc/30/41/47/912304147.db2.gz AOFIZURCJJXPDL-RNCFNFMXSA-N 0 0 294.307 1.246 20 5 CDBDRN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(CN)n1 ZINC001173236114 912333793 /nfs/dbraw/zinc/33/37/93/912333793.db2.gz WWXZSTVLMWLZPR-VIFPVBQESA-N 0 0 261.285 1.449 20 5 CDBDRN O=[N+]([O-])c1ncccc1NCC1(N2CCCC2)COC1 ZINC001168444848 913287746 /nfs/dbraw/zinc/28/77/46/913287746.db2.gz LLQGKRVXYJAQHQ-UHFFFAOYSA-N 0 0 278.312 1.267 20 5 CDBDRN COc1ncc([N+](=O)[O-])cc1NC[C@@H]1CC(C)(C)O1 ZINC001168455630 913442011 /nfs/dbraw/zinc/44/20/11/913442011.db2.gz ICHAWEJPWFDURY-VIFPVBQESA-N 0 0 267.285 1.978 20 5 CDBDRN Cc1nn(C)c(Nc2cc([N+](=O)[O-])ccc2F)c1C(N)=O ZINC001175734640 913754992 /nfs/dbraw/zinc/75/49/92/913754992.db2.gz MDLJSXSOWIWKTR-UHFFFAOYSA-N 0 0 293.258 1.618 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)n1 ZINC001167075417 894201367 /nfs/dbraw/zinc/20/13/67/894201367.db2.gz FJQSPDXQTFHCMM-CDJYRKNRSA-N 0 0 276.296 1.307 20 5 CDBDRN N=c1cc(CN)ncn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001167359215 895430812 /nfs/dbraw/zinc/43/08/12/895430812.db2.gz LXLAMZPGVDAQBC-UHFFFAOYSA-N 0 0 296.290 1.267 20 5 CDBDRN CC(C)[C@@](C)(Nc1cnc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC001167407815 895573754 /nfs/dbraw/zinc/57/37/54/895573754.db2.gz UGQNRBBPFRVVNF-LLVKDONJSA-N 0 0 286.719 1.955 20 5 CDBDRN O=C1CC[C@@H](Nc2ccc([N+](=O)[O-])c3ccccc23)C(=O)N1 ZINC001167576872 896868583 /nfs/dbraw/zinc/86/85/83/896868583.db2.gz IKIUPRBOLXVLTF-GFCCVEGCSA-N 0 0 299.286 1.965 20 5 CDBDRN Cc1cnc(NCc2ccnc(N)c2)cc1[N+](=O)[O-] ZINC001167616931 897048657 /nfs/dbraw/zinc/04/86/57/897048657.db2.gz SOUMZRSBUTUJTN-UHFFFAOYSA-N 0 0 259.269 1.888 20 5 CDBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCOC1 ZINC000236154287 898296187 /nfs/dbraw/zinc/29/61/87/898296187.db2.gz RUHAWHHOPCYNCT-QMMMGPOBSA-N 0 0 269.232 1.644 20 5 CDBDRN COC(=O)[C@H](CCO)Oc1ccc([N+](=O)[O-])cc1F ZINC001218216843 898479253 /nfs/dbraw/zinc/47/92/53/898479253.db2.gz LSKGDPAMVQVFCK-JTQLQIEISA-N 0 0 273.216 1.037 20 5 CDBDRN Cc1cccc(O[C@@H]2CNCC2(F)F)c1[N+](=O)[O-] ZINC001218232551 898497436 /nfs/dbraw/zinc/49/74/36/898497436.db2.gz SBUHAFJALYLHIC-SECBINFHSA-N 0 0 258.224 1.889 20 5 CDBDRN Cc1c(O[C@H]2CNCC2(F)F)cccc1[N+](=O)[O-] ZINC001218233034 898498006 /nfs/dbraw/zinc/49/80/06/898498006.db2.gz XGEXAFKQKLUQJO-JTQLQIEISA-N 0 0 258.224 1.889 20 5 CDBDRN COC(=O)c1cccc(OC2CC(O)C2)c1[N+](=O)[O-] ZINC001218256943 898534255 /nfs/dbraw/zinc/53/42/55/898534255.db2.gz GQFKAOCTFVBOBO-UHFFFAOYSA-N 0 0 267.237 1.284 20 5 CDBDRN COC(=O)c1cc(O[C@H]2C[C@H](O)C2)c(OC)cc1[N+](=O)[O-] ZINC001218361187 898696632 /nfs/dbraw/zinc/69/66/32/898696632.db2.gz WDZKVOOAFCBIPT-ZKCHVHJHSA-N 0 0 297.263 1.292 20 5 CDBDRN COC(=O)c1cc(NC(C)(C)CCO)cc([N+](=O)[O-])c1 ZINC001167742343 899819902 /nfs/dbraw/zinc/81/99/02/899819902.db2.gz ZAQMAZFSGPOUAS-UHFFFAOYSA-N 0 0 282.296 1.954 20 5 CDBDRN CC(C)=CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105318066 900143429 /nfs/dbraw/zinc/14/34/29/900143429.db2.gz FBMQAOSIJNMWPB-UHFFFAOYSA-N 0 0 292.339 1.851 20 5 CDBDRN O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1OC[C@@H]1CCO1 ZINC001225889462 904430691 /nfs/dbraw/zinc/43/06/91/904430691.db2.gz OMPIUIGIFJRRKW-ZETCQYMHSA-N 0 0 272.188 1.810 20 5 CDBDRN COc1nc(N[C@@H]2CCO[C@@H](C)C2)nc(OC)c1[N+](=O)[O-] ZINC001161690655 905302443 /nfs/dbraw/zinc/30/24/43/905302443.db2.gz JUXSGTPNNCZFGX-JGVFFNPUSA-N 0 0 298.299 1.381 20 5 CDBDRN COc1cc(O[C@@H]2CCOC[C@H]2F)ncc1[N+](=O)[O-] ZINC001226578957 905352068 /nfs/dbraw/zinc/35/20/68/905352068.db2.gz MKHHXAHDHBZXCE-VXNVDRBHSA-N 0 0 272.232 1.504 20 5 CDBDRN O=[N+]([O-])C[C@H](Oc1cc(Cl)ncn1)c1cccnc1 ZINC001226645737 905403300 /nfs/dbraw/zinc/40/33/00/905403300.db2.gz WWFFPMVNVPYLQK-VIFPVBQESA-N 0 0 280.671 1.922 20 5 CDBDRN CC1(C)C[C@@H](Oc2ncc([N+](=O)[O-])cn2)CCO1 ZINC001226733148 905543993 /nfs/dbraw/zinc/54/39/93/905543993.db2.gz IOWTXBRJSQZDSD-VIFPVBQESA-N 0 0 253.258 1.721 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2COCO2)c1 ZINC001227043615 905973831 /nfs/dbraw/zinc/97/38/31/905973831.db2.gz GVMANKSKTRWKDT-VIFPVBQESA-N 0 0 283.236 1.133 20 5 CDBDRN Cc1cnc(O[C@H]2CCOC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001227237164 906136365 /nfs/dbraw/zinc/13/63/65/906136365.db2.gz RTADKUPSBZJTMZ-WPRPVWTQSA-N 0 0 256.233 1.804 20 5 CDBDRN C[C@@H](O)CC(=O)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228015378 906873493 /nfs/dbraw/zinc/87/34/93/906873493.db2.gz VFZUIESJFOEQES-RXMQYKEDSA-N 0 0 260.633 1.320 20 5 CDBDRN CCCNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001168131554 907323727 /nfs/dbraw/zinc/32/37/27/907323727.db2.gz KVTGGDSKBNWAPC-UHFFFAOYSA-N 0 0 276.090 1.813 20 5 CDBDRN CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C1CCC1 ZINC001101498177 907534145 /nfs/dbraw/zinc/53/41/45/907534145.db2.gz NDXSCBVMOIJDBL-UHFFFAOYSA-N 0 0 278.312 1.660 20 5 CDBDRN CC(F)(F)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000697627877 908841993 /nfs/dbraw/zinc/84/19/93/908841993.db2.gz JYSMRHLOGKOLJD-UHFFFAOYSA-N 0 0 259.212 1.562 20 5 CDBDRN Cc1cnc(N[C@@H]2COCCC23OCCO3)cc1[N+](=O)[O-] ZINC001168352324 909166942 /nfs/dbraw/zinc/16/69/42/909166942.db2.gz DHANVPBFEANJSG-LLVKDONJSA-N 0 0 295.295 1.242 20 5 CDBDRN CC(C)(C)C(=O)C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093532310 909913059 /nfs/dbraw/zinc/91/30/59/909913059.db2.gz OKSXUZWZMYLLMV-UHFFFAOYSA-N 0 0 294.311 1.133 20 5 CDBDRN C/C=C(/C)C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093544799 909947868 /nfs/dbraw/zinc/94/78/68/909947868.db2.gz VALZTJMFTBRGBD-OQFOIZHKSA-N 0 0 264.285 1.484 20 5 CDBDRN Cc1nc(NCCNC(=O)C=C2CCC2)ccc1[N+](=O)[O-] ZINC001093548055 909954106 /nfs/dbraw/zinc/95/41/06/909954106.db2.gz OHRKKHFNHFOIEA-UHFFFAOYSA-N 0 0 290.323 1.937 20 5 CDBDRN Cc1cnc(NCCNC(=O)c2cnco2)c([N+](=O)[O-])c1 ZINC001094019345 910264321 /nfs/dbraw/zinc/26/43/21/910264321.db2.gz CPWBSRZOJRRYJS-UHFFFAOYSA-N 0 0 291.267 1.128 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@H](OCCCF)C2)nc1 ZINC001225157213 911726123 /nfs/dbraw/zinc/72/61/23/911726123.db2.gz DGRMIOIKQPCGNP-NSHDSACASA-N 0 0 269.276 1.945 20 5 CDBDRN CCC(=O)N(C)CCOCCNc1ncccc1[N+](=O)[O-] ZINC001127167114 911732343 /nfs/dbraw/zinc/73/23/43/911732343.db2.gz XFPUTCDNTKCVSW-UHFFFAOYSA-N 0 0 296.327 1.287 20 5 CDBDRN COc1ccc(NC2CCOCC2)nc1[N+](=O)[O-] ZINC001161858622 921698757 /nfs/dbraw/zinc/69/87/57/921698757.db2.gz AUZHWQVVWFHXAE-UHFFFAOYSA-N 0 0 253.258 1.589 20 5 CDBDRN CCN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(N)n1 ZINC000094262132 915729520 /nfs/dbraw/zinc/72/95/20/915729520.db2.gz JAYKIAZJXZTAEQ-UHFFFAOYSA-N 0 0 254.290 1.169 20 5 CDBDRN Nc1cccc2cn(-c3ccc([N+](=O)[O-])nc3)nc21 ZINC001203570723 918509969 /nfs/dbraw/zinc/50/99/69/918509969.db2.gz CWXWOPYBGYBCOT-UHFFFAOYSA-N 0 0 255.237 1.911 20 5 CDBDRN Nc1cccc2c1cnn2-c1ccc([N+](=O)[O-])nc1 ZINC001203575094 918638216 /nfs/dbraw/zinc/63/82/16/918638216.db2.gz WOEQLBPFRGBNTF-UHFFFAOYSA-N 0 0 255.237 1.911 20 5 CDBDRN COc1ncnc(NCc2cnc(C)s2)c1[N+](=O)[O-] ZINC000094739175 919703836 /nfs/dbraw/zinc/70/38/36/919703836.db2.gz ZRJLJFQIKYZRFC-UHFFFAOYSA-N 0 0 281.297 1.770 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1-c1nnc([C@H]2CCOC2)o1 ZINC001255585912 936731218 /nfs/dbraw/zinc/73/12/18/936731218.db2.gz JKEJFLTWGRBOTM-QMMMGPOBSA-N 0 0 276.252 1.852 20 5 CDBDRN CCN(CC(N)=O)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000839335196 936910393 /nfs/dbraw/zinc/91/03/93/936910393.db2.gz WRCSOLWKLNVQGE-UHFFFAOYSA-N 0 0 299.714 1.504 20 5 CDBDRN CC1=C(Br)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839751001 936923466 /nfs/dbraw/zinc/92/34/66/936923466.db2.gz SINXDCVMGISKMV-VXNVDRBHSA-N 0 0 289.129 1.553 20 5 CDBDRN CCN(CCNC(=O)C1(C)CC1)c1ncccc1[N+](=O)[O-] ZINC001100744833 936932377 /nfs/dbraw/zinc/93/23/77/936932377.db2.gz XLYHNOHAKMWULW-UHFFFAOYSA-N 0 0 292.339 1.732 20 5 CDBDRN O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H](O)[C@@H](F)CC1 ZINC001164228780 924689550 /nfs/dbraw/zinc/68/95/50/924689550.db2.gz PVISLQHZWBKHAQ-XVKPBYJWSA-N 0 0 289.694 1.942 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@]1(C)CCC(=O)N1 ZINC000840315049 936947722 /nfs/dbraw/zinc/94/77/22/936947722.db2.gz SCMBMOIEYZSISA-AWEZNQCLSA-N 0 0 291.307 1.878 20 5 CDBDRN COc1nc(N2CCNCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001164488790 924903292 /nfs/dbraw/zinc/90/32/92/924903292.db2.gz LBRKVMUCDQIRRD-UHFFFAOYSA-N 0 0 288.254 1.043 20 5 CDBDRN CC[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1O ZINC001119384974 925216323 /nfs/dbraw/zinc/21/63/23/925216323.db2.gz FWOUARILSPSIBS-QPUJVOFHSA-N 0 0 297.286 1.969 20 5 CDBDRN Nc1nc(NCc2cn3cccnc3n2)ccc1[N+](=O)[O-] ZINC001154612056 925815905 /nfs/dbraw/zinc/81/59/05/925815905.db2.gz PMMKEPPCHHICDV-UHFFFAOYSA-N 0 0 285.267 1.227 20 5 CDBDRN O=[N+]([O-])c1cc(O)cc(Nc2cccc(CO)n2)c1 ZINC001199819589 925856283 /nfs/dbraw/zinc/85/62/83/925856283.db2.gz ZUYAAMCKPOWJAI-UHFFFAOYSA-N 0 0 261.237 1.931 20 5 CDBDRN O=[N+]([O-])c1cccc2c1ccnc2NCCn1cnnc1 ZINC001168870038 927501289 /nfs/dbraw/zinc/50/12/89/927501289.db2.gz OMAREGWMURXQLR-UHFFFAOYSA-N 0 0 284.279 1.847 20 5 CDBDRN CC1(C)OCC(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)CO1 ZINC001168905480 927529279 /nfs/dbraw/zinc/52/92/79/927529279.db2.gz CUVKZLBMFLOPBO-UHFFFAOYSA-N 0 0 293.283 1.430 20 5 CDBDRN CCOC(=O)C1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168980404 927569342 /nfs/dbraw/zinc/56/93/42/927569342.db2.gz DGASYPNVBJGNBB-QWRGUYRKSA-N 0 0 270.329 1.507 20 5 CDBDRN CCn1cc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1=O ZINC001168997573 927602688 /nfs/dbraw/zinc/60/26/88/927602688.db2.gz DNFSIDWWKOZRQT-GHMZBOCLSA-N 0 0 265.313 1.726 20 5 CDBDRN CCCC[C@@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168986804 927622652 /nfs/dbraw/zinc/62/26/52/927622652.db2.gz ZRKULWNEZMZYBL-QJPTWQEYSA-N 0 0 272.345 1.753 20 5 CDBDRN O=C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169033328 927640427 /nfs/dbraw/zinc/64/04/27/927640427.db2.gz BYQPKNLYSUNKCQ-BDAKNGLRSA-N 0 0 262.256 1.342 20 5 CDBDRN COC1(C(=O)OCc2onc(C)c2[N+](=O)[O-])CCC1 ZINC000853909520 928123556 /nfs/dbraw/zinc/12/35/56/928123556.db2.gz AUICRALYZCHHAN-UHFFFAOYSA-N 0 0 270.241 1.504 20 5 CDBDRN C[C@H](Nc1nccc(N)c1[N+](=O)[O-])c1cnccn1 ZINC001169528744 928147591 /nfs/dbraw/zinc/14/75/91/928147591.db2.gz BUOKZLABZJULPJ-ZETCQYMHSA-N 0 0 260.257 1.535 20 5 CDBDRN C[C@H](Nc1cc([N+](=O)[O-])c2nncn2c1)c1cnccn1 ZINC001169540155 928160402 /nfs/dbraw/zinc/16/04/02/928160402.db2.gz YQCJMIBGPDTVBC-QMMMGPOBSA-N 0 0 285.267 1.601 20 5 CDBDRN COc1cc(C)nc(NCC(=O)N2CCCC2)c1[N+](=O)[O-] ZINC001156347840 928244325 /nfs/dbraw/zinc/24/43/25/928244325.db2.gz WLPFCDFFEWMVCH-UHFFFAOYSA-N 0 0 294.311 1.341 20 5 CDBDRN COc1ccc(NC(=O)C2=COCC2)cc1[N+](=O)[O-] ZINC000782815334 937260132 /nfs/dbraw/zinc/26/01/32/937260132.db2.gz REJRLZSMGUGNKG-UHFFFAOYSA-N 0 0 264.237 1.846 20 5 CDBDRN CN[C@H]1CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156648021 928876274 /nfs/dbraw/zinc/87/62/74/928876274.db2.gz OHRKMIAVXKJTHD-LLVKDONJSA-N 0 0 258.281 1.899 20 5 CDBDRN CN(CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)C1CC1 ZINC001109367902 928896572 /nfs/dbraw/zinc/89/65/72/928896572.db2.gz QHWROGWZCKODBN-UHFFFAOYSA-N 0 0 294.311 1.366 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1n[nH]cc1F ZINC001152205676 937344330 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271.342 1.824 20 5 CDBDRN COC(=O)C[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000078697301 342339638 /nfs/dbraw/zinc/33/96/38/342339638.db2.gz PRSCYJXVNGKKJX-VHODGJRUSA-N 0 0 292.291 1.676 20 5 CDBDRN CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000595790085 343156295 /nfs/dbraw/zinc/15/62/95/343156295.db2.gz ZZMGMXHQTZHWSA-UHFFFAOYSA-N 0 0 297.742 1.912 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1N1CCCOCC1 ZINC000080607697 342357632 /nfs/dbraw/zinc/35/76/32/342357632.db2.gz IXZIOVGPEVSUNT-UHFFFAOYSA-N 0 0 266.297 1.968 20 5 CDBDRN CCOC(=O)C[C@@H](C)SCCn1cc([N+](=O)[O-])cn1 ZINC000080613825 342357755 /nfs/dbraw/zinc/35/77/55/342357755.db2.gz HQDJPAYRFCBPHB-SECBINFHSA-N 0 0 287.341 1.866 20 5 CDBDRN COC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000080649164 342358271 /nfs/dbraw/zinc/35/82/71/342358271.db2.gz YWUBDBNYAUJFLO-GFCCVEGCSA-N 0 0 266.297 1.755 20 5 CDBDRN NC(=O)c1cc(N2CCSCC2)ccc1[N+](=O)[O-] ZINC000596080628 343219533 /nfs/dbraw/zinc/21/95/33/343219533.db2.gz KJMJZUASQRXWHE-UHFFFAOYSA-N 0 0 267.310 1.247 20 5 CDBDRN CNC(=O)Cn1cc(Nc2cc(C)sc2[N+](=O)[O-])cn1 ZINC000596085924 343227542 /nfs/dbraw/zinc/22/75/42/343227542.db2.gz OVXDRVLYGCGIOS-UHFFFAOYSA-N 0 0 295.324 1.651 20 5 CDBDRN Cc1nccn1CCCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596136476 343240116 /nfs/dbraw/zinc/24/01/16/343240116.db2.gz IEPUXRNRXPKEID-UHFFFAOYSA-N 0 0 290.327 1.391 20 5 CDBDRN CO[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596154422 343246700 /nfs/dbraw/zinc/24/67/00/343246700.db2.gz JLWYDNBFTOIIAU-RKDXNWHRSA-N 0 0 267.285 1.921 20 5 CDBDRN Cc1nn(C)c(N2CCSC(C)(C)C2)c1[N+](=O)[O-] ZINC000081032287 342364408 /nfs/dbraw/zinc/36/44/08/342364408.db2.gz NPGGSOSEHNNRSO-UHFFFAOYSA-N 0 0 270.358 1.969 20 5 CDBDRN CCC(CC)[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596121134 343248237 /nfs/dbraw/zinc/24/82/37/343248237.db2.gz KVHYNEWXDLAYNZ-ZDUSSCGKSA-N 0 0 295.339 1.903 20 5 CDBDRN Nc1ccc(N2CCC[C@@H]2C2CCOCC2)nc1[N+](=O)[O-] ZINC000596182438 343250338 /nfs/dbraw/zinc/25/03/38/343250338.db2.gz DBACUFFAVGAIOD-GFCCVEGCSA-N 0 0 292.339 1.967 20 5 CDBDRN C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182779 343250715 /nfs/dbraw/zinc/25/07/15/343250715.db2.gz SGTLCHUEVSLHML-YUMQZZPRSA-N 0 0 253.258 1.675 20 5 CDBDRN CCC1(O)CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596184156 343250899 /nfs/dbraw/zinc/25/08/99/343250899.db2.gz KWTMCXKLMYGLGE-UHFFFAOYSA-N 0 0 280.328 1.490 20 5 CDBDRN CCOCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596185362 343251655 /nfs/dbraw/zinc/25/16/55/343251655.db2.gz PKYZZWFNJWHPBA-UHFFFAOYSA-N 0 0 267.285 1.166 20 5 CDBDRN Cc1cc(NCC(=O)NC2CC2)c([N+](=O)[O-])s1 ZINC000596060727 343223276 /nfs/dbraw/zinc/22/32/76/343223276.db2.gz FLFAFVZOHJATJS-UHFFFAOYSA-N 0 0 255.299 1.655 20 5 CDBDRN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](O)C1 ZINC000085379061 342381536 /nfs/dbraw/zinc/38/15/36/342381536.db2.gz AQODQEPYGSDXIV-FWEMWIAWSA-N 0 0 280.255 1.340 20 5 CDBDRN COC[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596171406 343258834 /nfs/dbraw/zinc/25/88/34/343258834.db2.gz MTGULJWJWCHFHP-NSHDSACASA-N 0 0 279.296 1.531 20 5 CDBDRN CN(CCC1CC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596170898 343259097 /nfs/dbraw/zinc/25/90/97/343259097.db2.gz YYNDMZNDIZTXJM-UHFFFAOYSA-N 0 0 299.352 1.479 20 5 CDBDRN C[C@]1(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCOC1 ZINC000596174320 343260176 /nfs/dbraw/zinc/26/01/76/343260176.db2.gz KHNJLHFRNZYJDS-LBPRGKRZSA-N 0 0 265.269 1.285 20 5 CDBDRN Cc1cc(N[C@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])s1 ZINC000596202506 343264252 /nfs/dbraw/zinc/26/42/52/343264252.db2.gz GQHNBMHGUOJNDC-QMMMGPOBSA-N 0 0 269.326 1.997 20 5 CDBDRN Nc1ccc(N2CCC([C@@H]3CCCO3)CC2)nc1[N+](=O)[O-] ZINC000596203438 343264439 /nfs/dbraw/zinc/26/44/39/343264439.db2.gz NELSLYAPFFXTAT-LBPRGKRZSA-N 0 0 292.339 1.967 20 5 CDBDRN C[C@H]1CC2(CN1c1ccc(N)c([N+](=O)[O-])n1)CCOCC2 ZINC000596293243 343289888 /nfs/dbraw/zinc/28/98/88/343289888.db2.gz UUFUZPHMSOKQGG-JTQLQIEISA-N 0 0 292.339 1.967 20 5 CDBDRN CC(C)(CNc1ccc(N)c([N+](=O)[O-])n1)c1ccccn1 ZINC000596250726 343274425 /nfs/dbraw/zinc/27/44/25/343274425.db2.gz TUAOLHYMQREYSK-UHFFFAOYSA-N 0 0 287.323 1.779 20 5 CDBDRN CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000084061378 342378250 /nfs/dbraw/zinc/37/82/50/342378250.db2.gz ZXAZCQSAKLZGKJ-UHFFFAOYSA-N 0 0 274.280 1.980 20 5 CDBDRN Cn1cc(C[C@@H](CO)Nc2sccc2[N+](=O)[O-])cn1 ZINC000596276408 343295900 /nfs/dbraw/zinc/29/59/00/343295900.db2.gz BRGJFPHGZUQYOY-VIFPVBQESA-N 0 0 282.325 1.405 20 5 CDBDRN COCC1(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCCC1 ZINC000596315620 343300861 /nfs/dbraw/zinc/30/08/61/343300861.db2.gz CQRUUTIRGCDFDL-UHFFFAOYSA-N 0 0 294.311 1.460 20 5 CDBDRN C[S@](=O)[C@@H]1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596366230 343305517 /nfs/dbraw/zinc/30/55/17/343305517.db2.gz NACODAPXQXEHAX-ZLVALASMSA-N 0 0 299.352 1.797 20 5 CDBDRN C[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596369584 343306328 /nfs/dbraw/zinc/30/63/28/343306328.db2.gz AVKHXROXJPIIDD-DYCLVXDSSA-N 0 0 298.368 1.096 20 5 CDBDRN O=[N+]([O-])c1ncccc1N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000596355303 343309789 /nfs/dbraw/zinc/30/97/89/343309789.db2.gz VDLZZZLUEVCOAR-OUAUKWLOSA-N 0 0 263.297 1.587 20 5 CDBDRN Cc1n[nH]c(C(=O)N(C)CCOCC2CC2)c1[N+](=O)[O-] ZINC000088333121 342388219 /nfs/dbraw/zinc/38/82/19/342388219.db2.gz MHJXTJZRUQMBIO-UHFFFAOYSA-N 0 0 282.300 1.125 20 5 CDBDRN CNc1nc(C(=O)N2CCC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000456032569 362173295 /nfs/dbraw/zinc/17/32/95/362173295.db2.gz NYCPPKFOBHAPFT-CYBMUJFWSA-N 0 0 296.302 1.996 20 5 CDBDRN C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000596539520 343345973 /nfs/dbraw/zinc/34/59/73/343345973.db2.gz CLLWKYUFVKZSIE-JOYOIKCWSA-N 0 0 251.286 1.445 20 5 CDBDRN CO[C@@]1(C)C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000596540941 343346527 /nfs/dbraw/zinc/34/65/27/343346527.db2.gz VPGMCWWFUJUBDI-LDWIPMOCSA-N 0 0 268.298 1.893 20 5 CDBDRN COC[C@@H](OC)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000596593517 343350570 /nfs/dbraw/zinc/35/05/70/343350570.db2.gz MTAVPKYJIYPKDE-SSDOTTSWSA-N 0 0 297.271 1.021 20 5 CDBDRN COC(=O)[C@@]1(C)CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000092684033 342416455 /nfs/dbraw/zinc/41/64/55/342416455.db2.gz MICDAEQTHDVFFP-ZDUSSCGKSA-N 0 0 279.296 1.688 20 5 CDBDRN CC[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000273910593 192359605 /nfs/dbraw/zinc/35/96/05/192359605.db2.gz ISGQSVJTPJDIRJ-BQBZGAKWSA-N 0 0 280.206 1.499 20 5 CDBDRN CCc1nn(C)c(N2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000092827702 342419488 /nfs/dbraw/zinc/41/94/88/342419488.db2.gz UAKPZMOSNJSXQD-QMMMGPOBSA-N 0 0 254.290 1.116 20 5 CDBDRN CC(C)[C@H]1C(=O)NCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000092939900 342420614 /nfs/dbraw/zinc/42/06/14/342420614.db2.gz PKCKPFMRISMXJY-JTQLQIEISA-N 0 0 298.730 1.604 20 5 CDBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC(O)C1 ZINC000444246386 362180457 /nfs/dbraw/zinc/18/04/57/362180457.db2.gz PKYBZEOOLBXCFQ-UHFFFAOYSA-N 0 0 294.310 1.498 20 5 CDBDRN C[C@@H](O)[C@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000300208366 342441932 /nfs/dbraw/zinc/44/19/32/342441932.db2.gz RRXCMJIDJNUCPF-LOWVWBTDSA-N 0 0 292.335 1.928 20 5 CDBDRN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000600993123 342442030 /nfs/dbraw/zinc/44/20/30/342442030.db2.gz VNWWXDWYGNKNSD-QMMMGPOBSA-N 0 0 268.244 1.331 20 5 CDBDRN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 ZINC000600993121 342442044 /nfs/dbraw/zinc/44/20/44/342442044.db2.gz VNWWXDWYGNKNSD-MRVPVSSYSA-N 0 0 268.244 1.331 20 5 CDBDRN CCOC(=O)[C@@H](C)CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000091734556 342406989 /nfs/dbraw/zinc/40/69/89/342406989.db2.gz HDGZLTRQAZRDOK-QMMMGPOBSA-N 0 0 284.316 1.502 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](CO)[C@@H]1C ZINC000340868968 362205912 /nfs/dbraw/zinc/20/59/12/362205912.db2.gz CHOGDGSLPCEUSN-WCBMZHEXSA-N 0 0 268.317 1.327 20 5 CDBDRN CC[C@@H]1CC[C@@H](C)N1c1ncc([N+](=O)[O-])c(N)n1 ZINC000271429629 362210951 /nfs/dbraw/zinc/21/09/51/362210951.db2.gz MTSJUBJBUQYYHJ-HTQZYQBOSA-N 0 0 251.290 1.734 20 5 CDBDRN CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000126845259 187266049 /nfs/dbraw/zinc/26/60/49/187266049.db2.gz YIMQYMJWFDSTFS-SVRRBLITSA-N 0 0 290.366 1.499 20 5 CDBDRN C[C@H]1CCC(C)(C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597753142 343615386 /nfs/dbraw/zinc/61/53/86/343615386.db2.gz NIWNJPAFVGJMTF-ZETCQYMHSA-N 0 0 252.274 1.721 20 5 CDBDRN C[C@@H]1CCC(C)(C)N1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597752440 343629804 /nfs/dbraw/zinc/62/98/04/343629804.db2.gz BYWHPAUHYAQNAD-SSDOTTSWSA-N 0 0 252.274 1.721 20 5 CDBDRN CC[C@H](CO)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000295063047 199325235 /nfs/dbraw/zinc/32/52/35/199325235.db2.gz POHUXBVGBJZGCT-SNVBAGLBSA-N 0 0 282.296 1.493 20 5 CDBDRN COCC1(NC(=O)c2ccc([N+](=O)[O-])n2C)CCCC1 ZINC000597880974 343656791 /nfs/dbraw/zinc/65/67/91/343656791.db2.gz GDNXNLSXTPBMEX-UHFFFAOYSA-N 0 0 281.312 1.622 20 5 CDBDRN CN1CC[C@H](Nc2cc([N+](=O)[O-])ccc2F)C1=O ZINC000177153400 529807078 /nfs/dbraw/zinc/80/70/78/529807078.db2.gz HLOICJRIBNCDTK-VIFPVBQESA-N 0 0 253.233 1.377 20 5 CDBDRN Cc1cc(C(=O)N[C@@H](C)C2(CO)CC2)ccc1[N+](=O)[O-] ZINC000598039484 343703007 /nfs/dbraw/zinc/70/30/07/343703007.db2.gz MEOCFLQDFCPRCB-JTQLQIEISA-N 0 0 278.308 1.794 20 5 CDBDRN COc1ccc(OC)c(Cn2nccc2[N+](=O)[O-])c1 ZINC000128015807 187346668 /nfs/dbraw/zinc/34/66/68/187346668.db2.gz OENNPXJGFYWJNW-UHFFFAOYSA-N 0 0 263.253 1.857 20 5 CDBDRN Cc1cc(C(=O)N(C)Cc2cn(C)nn2)cc([N+](=O)[O-])c1 ZINC000598227367 343738260 /nfs/dbraw/zinc/73/82/60/343738260.db2.gz VPVSAFHIXWDPKB-UHFFFAOYSA-N 0 0 289.295 1.304 20 5 CDBDRN C[C@@H](CCCO)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000295465655 199521636 /nfs/dbraw/zinc/52/16/36/199521636.db2.gz PSLLHTSPROKVRK-VIFPVBQESA-N 0 0 284.287 1.872 20 5 CDBDRN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1CCO ZINC000598068436 343715668 /nfs/dbraw/zinc/71/56/68/343715668.db2.gz NXEJZGGGWIFNMI-GHMZBOCLSA-N 0 0 295.339 1.556 20 5 CDBDRN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1CCO ZINC000598067112 343715681 /nfs/dbraw/zinc/71/56/81/343715681.db2.gz IAEJBKJSGGTKRS-JQWIXIFHSA-N 0 0 295.339 1.556 20 5 CDBDRN CCn1cc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])nn1 ZINC000598142589 343726692 /nfs/dbraw/zinc/72/66/92/343726692.db2.gz PFQIZESICUNJQF-UHFFFAOYSA-N 0 0 289.295 1.445 20 5 CDBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000598331140 343760451 /nfs/dbraw/zinc/76/04/51/343760451.db2.gz NVHFGQJCMINUND-CBAPKCEASA-N 0 0 263.253 1.177 20 5 CDBDRN COC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(C)o1 ZINC000126946517 187271757 /nfs/dbraw/zinc/27/17/57/187271757.db2.gz NCOFIQHZKASOSJ-QMMMGPOBSA-N 0 0 294.267 1.337 20 5 CDBDRN C[C@H](O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598383794 343781788 /nfs/dbraw/zinc/78/17/88/343781788.db2.gz JTBCRPRKIKUFOB-ZETCQYMHSA-N 0 0 268.244 1.377 20 5 CDBDRN C[C@@H](O)C1(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000598387526 343783000 /nfs/dbraw/zinc/78/30/00/343783000.db2.gz UAZAGNUOPSYVQI-SECBINFHSA-N 0 0 280.280 1.003 20 5 CDBDRN CC1(C)C[C@@]1(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598387141 343783108 /nfs/dbraw/zinc/78/31/08/343783108.db2.gz RSIKCYGTOYGQBJ-LLVKDONJSA-N 0 0 252.274 1.096 20 5 CDBDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000598448850 343801923 /nfs/dbraw/zinc/80/19/23/343801923.db2.gz OSXBFLXAPZPDBO-ABAIWWIYSA-N 0 0 292.335 1.994 20 5 CDBDRN CS[C@H](CO)[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000126985850 187275252 /nfs/dbraw/zinc/27/52/52/187275252.db2.gz CDYCFIHBHZXCGW-PSASIEDQSA-N 0 0 271.342 1.823 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000598460589 343805462 /nfs/dbraw/zinc/80/54/62/343805462.db2.gz MMGLDIAPAWVPMH-MFKMUULPSA-N 0 0 296.327 1.092 20 5 CDBDRN COC(=O)c1ccnc(NCc2cnn(C)c2)c1[N+](=O)[O-] ZINC000598590384 343837652 /nfs/dbraw/zinc/83/76/52/343837652.db2.gz XNTKSKFYYCIXNC-UHFFFAOYSA-N 0 0 291.267 1.122 20 5 CDBDRN COC(=O)c1ccnc(NCC[C@H](C)OC)c1[N+](=O)[O-] ZINC000598593378 343839826 /nfs/dbraw/zinc/83/98/26/343839826.db2.gz RULCERYHWXTBKE-QMMMGPOBSA-N 0 0 283.284 1.035 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1CO ZINC000598787642 343898838 /nfs/dbraw/zinc/89/88/38/343898838.db2.gz XXRGQABKNNHIFT-RKDXNWHRSA-N 0 0 284.337 1.747 20 5 CDBDRN CNC(=O)c1ccc(N2CC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000295083042 199336788 /nfs/dbraw/zinc/33/67/88/199336788.db2.gz YBYCUXGKRQDUJT-JTQLQIEISA-N 0 0 295.364 1.896 20 5 CDBDRN C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598904580 343922087 /nfs/dbraw/zinc/92/20/87/343922087.db2.gz AKEODZIGDCODAV-AAEUAGOBSA-N 0 0 292.335 1.614 20 5 CDBDRN COc1cccc(NC[C@H]2COCCN2C)c1[N+](=O)[O-] ZINC000599160190 343970324 /nfs/dbraw/zinc/97/03/24/343970324.db2.gz GOEMIFBDKBJBOY-JTQLQIEISA-N 0 0 281.312 1.346 20 5 CDBDRN Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000052016596 362273730 /nfs/dbraw/zinc/27/37/30/362273730.db2.gz SRZTZDVFCWQNCB-JQWIXIFHSA-N 0 0 279.296 1.210 20 5 CDBDRN 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/nfs/dbraw/zinc/51/24/79/373512479.db2.gz QTKGKFUAZNLCFN-UHFFFAOYSA-N 0 0 272.282 1.338 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2occc21 ZINC000161397169 373516851 /nfs/dbraw/zinc/51/68/51/373516851.db2.gz RKFWBWIWUPFKES-SECBINFHSA-N 0 0 290.279 1.729 20 5 CDBDRN CCN(CCOC)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000298341092 373518842 /nfs/dbraw/zinc/51/88/42/373518842.db2.gz OURLVBLRNGBITN-UHFFFAOYSA-N 0 0 282.296 1.469 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C)C1 ZINC000298423503 373521264 /nfs/dbraw/zinc/52/12/64/373521264.db2.gz VTVXNULESLIVLS-SECBINFHSA-N 0 0 295.295 1.856 20 5 CDBDRN COc1ccc(NC(=O)[C@@H](C)n2cncn2)c([N+](=O)[O-])c1 ZINC000193063487 373670745 /nfs/dbraw/zinc/67/07/45/373670745.db2.gz IPTNVJIZOWCKHF-MRVPVSSYSA-N 0 0 291.267 1.395 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2CCO)nc1 ZINC000275071815 373892374 /nfs/dbraw/zinc/89/23/74/373892374.db2.gz ZZHYLAJWQCLTHB-ONGXEEELSA-N 0 0 251.286 1.953 20 5 CDBDRN Cc1ncsc1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296099677 374041121 /nfs/dbraw/zinc/04/11/21/374041121.db2.gz PPAZYZQJEPKKSH-UHFFFAOYSA-N 0 0 285.369 1.946 20 5 CDBDRN CCO[C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298717649 374075413 /nfs/dbraw/zinc/07/54/13/374075413.db2.gz LDERMPKUEGYAGM-WDEREUQCSA-N 0 0 250.254 1.958 20 5 CDBDRN CCOC(=O)[C@H](C)[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000274062791 374093053 /nfs/dbraw/zinc/09/30/53/374093053.db2.gz PBKLEBGWJNFOKO-SFYZADRCSA-N 0 0 268.273 1.384 20 5 CDBDRN CCO[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000298757318 374141172 /nfs/dbraw/zinc/14/11/72/374141172.db2.gz XHMGPVQECFGXLC-DGCLKSJQSA-N 0 0 278.308 1.978 20 5 CDBDRN CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000423729652 246009471 /nfs/dbraw/zinc/00/94/71/246009471.db2.gz MVWDTAKVEAJKFV-NXEZZACHSA-N 0 0 279.296 1.627 20 5 CDBDRN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC[NH2+]C1 ZINC000423735964 246012482 /nfs/dbraw/zinc/01/24/82/246012482.db2.gz CMXFWTOSMXBNJT-LURJTMIESA-N 0 0 285.687 1.502 20 5 CDBDRN CC(C)N(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCC1 ZINC000077250546 374253445 /nfs/dbraw/zinc/25/34/45/374253445.db2.gz ONXBJEQXYTYHMP-UHFFFAOYSA-N 0 0 281.316 1.366 20 5 CDBDRN CC(C)[C@H](O)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000312176068 374278288 /nfs/dbraw/zinc/27/82/88/374278288.db2.gz VMOWRQGOWPCKFE-MEJMFZKBSA-N 0 0 278.308 1.741 20 5 CDBDRN O=C(NC1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000298874641 374245935 /nfs/dbraw/zinc/24/59/35/374245935.db2.gz SDOJQEVFLYRIJN-UHFFFAOYSA-N 0 0 256.283 1.565 20 5 CDBDRN CC(C)(O)CONC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299007013 374295960 /nfs/dbraw/zinc/29/59/60/374295960.db2.gz QNPWNCCIWXIORG-UHFFFAOYSA-N 0 0 288.687 1.681 20 5 CDBDRN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)CN(C)C1=O ZINC000419966721 374283558 /nfs/dbraw/zinc/28/35/58/374283558.db2.gz LTNNRRJHDNBAHV-QMMMGPOBSA-N 0 0 263.253 1.550 20 5 CDBDRN CCn1cc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)cn1 ZINC000296129443 374371847 /nfs/dbraw/zinc/37/18/47/374371847.db2.gz WNCBPLFVKOFHMH-QMMMGPOBSA-N 0 0 264.289 1.718 20 5 CDBDRN Cc1cc(C(=O)N2CC(n3cncn3)C2)cc([N+](=O)[O-])c1 ZINC000370979117 374405150 /nfs/dbraw/zinc/40/51/50/374405150.db2.gz MDOHLSBQFJSXLL-UHFFFAOYSA-N 0 0 287.279 1.192 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000370677744 374397470 /nfs/dbraw/zinc/39/74/70/374397470.db2.gz PKKHJBMQASLOOJ-CYBMUJFWSA-N 0 0 290.323 1.582 20 5 CDBDRN COCCCCN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000416103024 374382866 /nfs/dbraw/zinc/38/28/66/374382866.db2.gz PJJATJFSIRDKHN-UHFFFAOYSA-N 0 0 296.323 1.859 20 5 CDBDRN Cc1cn2c(n1)[C@H](CNc1ncc([N+](=O)[O-])cn1)CCC2 ZINC000371845760 374426246 /nfs/dbraw/zinc/42/62/46/374426246.db2.gz IHPHBXSLZNXLCG-JTQLQIEISA-N 0 0 288.311 1.301 20 5 CDBDRN CCN(CCOC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299148019 374454458 /nfs/dbraw/zinc/45/44/58/374454458.db2.gz WMBUPRXGRLNOFW-UHFFFAOYSA-N 0 0 296.323 1.930 20 5 CDBDRN CC[C@](C)(CO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000080874783 374483581 /nfs/dbraw/zinc/48/35/81/374483581.db2.gz XFSYLWCCJKPQOC-HSBSLETESA-N 0 0 278.308 1.885 20 5 CDBDRN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000299192892 374489832 /nfs/dbraw/zinc/48/98/32/374489832.db2.gz JVGAXBFDMZOZOL-SECBINFHSA-N 0 0 293.323 1.628 20 5 CDBDRN CCC(CC)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068518272 374477603 /nfs/dbraw/zinc/47/76/03/374477603.db2.gz DKYSSRZJWJFAPD-UHFFFAOYSA-N 0 0 293.323 1.629 20 5 CDBDRN C[C@H]1N(C(=O)c2cc([N+](=O)[O-])cn2C)CCOC1(C)C ZINC000531660807 374503879 /nfs/dbraw/zinc/50/38/79/374503879.db2.gz VNIVKDQKLSZYEZ-SECBINFHSA-N 0 0 281.312 1.573 20 5 CDBDRN CCOC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000081428772 374505786 /nfs/dbraw/zinc/50/57/86/374505786.db2.gz OPKWXRDZDDINSK-VIFPVBQESA-N 0 0 268.269 1.686 20 5 CDBDRN CCOC[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081519355 374513672 /nfs/dbraw/zinc/51/36/72/374513672.db2.gz RUDKTTYJJYOZCX-LLVKDONJSA-N 0 0 268.317 1.150 20 5 CDBDRN CC(C)NC(=O)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589250 374527731 /nfs/dbraw/zinc/52/77/31/374527731.db2.gz QOGIIZISODVNQY-UHFFFAOYSA-N 0 0 289.295 1.475 20 5 CDBDRN CCN(CC(C)(C)O)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000081745705 374549123 /nfs/dbraw/zinc/54/91/23/374549123.db2.gz SMNVZWAJKHINFP-UHFFFAOYSA-N 0 0 296.323 1.836 20 5 CDBDRN CCN(C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376349524 374551979 /nfs/dbraw/zinc/55/19/79/374551979.db2.gz OPEUVGYUMSIMSK-UHFFFAOYSA-N 0 0 281.316 1.500 20 5 CDBDRN Cc1c(Cn2ccc(=O)c3cnn(C)c32)cccc1[N+](=O)[O-] ZINC000429306819 374579598 /nfs/dbraw/zinc/57/95/98/374579598.db2.gz MSVZCGDOFXTRTG-UHFFFAOYSA-N 0 0 298.302 2.000 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000377283862 374595066 /nfs/dbraw/zinc/59/50/66/374595066.db2.gz VKFJUNUDLPNFAM-OAHLLOKOSA-N 0 0 292.335 1.950 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCC12CCC(CC1)C2 ZINC000378270322 374636791 /nfs/dbraw/zinc/63/67/91/374636791.db2.gz KLPLIPIUVQPAEP-UHFFFAOYSA-N 0 0 278.312 1.488 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1C ZINC000299254162 374623753 /nfs/dbraw/zinc/62/37/53/374623753.db2.gz JYDUSIKDVGWRLK-JTQLQIEISA-N 0 0 280.328 1.891 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])NO[C@@H]1CCCCO1 ZINC000161687754 374653797 /nfs/dbraw/zinc/65/37/97/374653797.db2.gz CPRCYNPZUIPILK-GFCCVEGCSA-N 0 0 295.295 1.852 20 5 CDBDRN Cc1ccnc(N[C@@H](C)Cn2cccn2)c1[N+](=O)[O-] ZINC000070496054 374663402 /nfs/dbraw/zinc/66/34/02/374663402.db2.gz SOXUNJZJXIDPIO-JTQLQIEISA-N 0 0 261.285 1.995 20 5 CDBDRN CC(C)(O)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000274870048 374686675 /nfs/dbraw/zinc/68/66/75/374686675.db2.gz VLHBUQWIZAMABR-UHFFFAOYSA-N 0 0 267.285 1.068 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000276822970 374750822 /nfs/dbraw/zinc/75/08/22/374750822.db2.gz DOMJFKCOOWSAAQ-BDAKNGLRSA-N 0 0 279.296 1.068 20 5 CDBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](O)C1 ZINC000093097791 374730849 /nfs/dbraw/zinc/73/08/49/374730849.db2.gz LOLWIGNAKMHZKX-JTQLQIEISA-N 0 0 256.689 1.815 20 5 CDBDRN CSCC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000154741638 374742679 /nfs/dbraw/zinc/74/26/79/374742679.db2.gz KUCZPVBUCPHXOQ-JTQLQIEISA-N 0 0 284.337 1.439 20 5 CDBDRN CCOCC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277577372 374795541 /nfs/dbraw/zinc/79/55/41/374795541.db2.gz UESRRGYSNCKFPE-LLVKDONJSA-N 0 0 255.270 1.761 20 5 CDBDRN CC(C)[NH+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330574816 374867012 /nfs/dbraw/zinc/86/70/12/374867012.db2.gz LNGARWLZHNIKGI-UHFFFAOYSA-N 0 0 279.340 1.826 20 5 CDBDRN CCC1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330530444 374861373 /nfs/dbraw/zinc/86/13/73/374861373.db2.gz GIANTRGYWRWHEW-UHFFFAOYSA-N 0 0 295.339 1.558 20 5 CDBDRN Cc1nc(NC(=O)[C@H]2CO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331255677 374917599 /nfs/dbraw/zinc/91/75/99/374917599.db2.gz APAJOINUEAWNOQ-IONNQARKSA-N 0 0 265.269 1.662 20 5 CDBDRN CO[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000331292961 374923495 /nfs/dbraw/zinc/92/34/95/374923495.db2.gz XJTSUGGTUSIDDV-IUCAKERBSA-N 0 0 282.300 1.314 20 5 CDBDRN O=C(NC[C@H]1CCSC1)Nc1ccncc1[N+](=O)[O-] ZINC000279646961 374941832 /nfs/dbraw/zinc/94/18/32/374941832.db2.gz WJRDFRPUXPAWQL-MRVPVSSYSA-N 0 0 282.325 1.864 20 5 CDBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](C2CC2)O1 ZINC000280604589 375006402 /nfs/dbraw/zinc/00/64/02/375006402.db2.gz XWFHLDOCEUMHHB-JOYOIKCWSA-N 0 0 263.297 1.994 20 5 CDBDRN Cc1cc(C(=O)N2CCn3ncnc3C2)ccc1[N+](=O)[O-] ZINC000332636322 375038601 /nfs/dbraw/zinc/03/86/01/375038601.db2.gz PZRCNDZNJDAPFC-UHFFFAOYSA-N 0 0 287.279 1.151 20 5 CDBDRN Cc1cc(C)nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000283104059 375110405 /nfs/dbraw/zinc/11/04/05/375110405.db2.gz RLFTXZYEVZOFES-UHFFFAOYSA-N 0 0 290.283 1.227 20 5 CDBDRN O=C(CCc1ncc[nH]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000283192557 375111639 /nfs/dbraw/zinc/11/16/39/375111639.db2.gz HXIOTNJDFDBAKM-UHFFFAOYSA-N 0 0 288.307 1.609 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCOC(=O)C1CC1 ZINC000282946441 375106324 /nfs/dbraw/zinc/10/63/24/375106324.db2.gz QAWQJQBHRJTTTD-UHFFFAOYSA-N 0 0 292.291 1.586 20 5 CDBDRN Cc1nonc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283048391 375108601 /nfs/dbraw/zinc/10/86/01/375108601.db2.gz BPKUKMCKVDRDFK-UHFFFAOYSA-N 0 0 290.279 1.601 20 5 CDBDRN C[C@@H]1CC(C)(C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000332731203 375047076 /nfs/dbraw/zinc/04/70/76/375047076.db2.gz UHRAMMICXDOHMD-SSDOTTSWSA-N 0 0 252.274 1.579 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1[N+](=O)[O-] ZINC000299557774 375182025 /nfs/dbraw/zinc/18/20/25/375182025.db2.gz SKOYPHDZTPREOZ-SNVBAGLBSA-N 0 0 289.295 1.932 20 5 CDBDRN CC[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000131084288 375164961 /nfs/dbraw/zinc/16/49/61/375164961.db2.gz AXIQYAWXZFZSGJ-SNVBAGLBSA-N 0 0 280.328 1.785 20 5 CDBDRN CS[C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000131304208 375221467 /nfs/dbraw/zinc/22/14/67/375221467.db2.gz VDQOFJKXXSLQFO-LURJTMIESA-N 0 0 287.316 1.797 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[C@H](O)C1 ZINC000351823397 375333646 /nfs/dbraw/zinc/33/36/46/375333646.db2.gz MKELFUSQZNYDQL-ZWNOBZJWSA-N 0 0 293.323 1.154 20 5 CDBDRN CN1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1=O ZINC000226799334 375397647 /nfs/dbraw/zinc/39/76/47/375397647.db2.gz PGGYKJGZPYMFBN-SECBINFHSA-N 0 0 297.698 1.209 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2ccc(F)cc21 ZINC000352102183 375353225 /nfs/dbraw/zinc/35/32/25/375353225.db2.gz JHWMGGPFJCVKFO-UHFFFAOYSA-N 0 0 276.227 1.660 20 5 CDBDRN CC1(C)[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000129410593 375358792 /nfs/dbraw/zinc/35/87/92/375358792.db2.gz FCVNPLORPZESDM-NEPJUHHUSA-N 0 0 294.307 1.249 20 5 CDBDRN CCO/C=C/C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000493489154 375458357 /nfs/dbraw/zinc/45/83/57/375458357.db2.gz GVKLRVONYRAHGZ-JXMROGBWSA-N 0 0 279.296 1.673 20 5 CDBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(CCO)CC1CC1 ZINC000493552847 375462670 /nfs/dbraw/zinc/46/26/70/375462670.db2.gz LAPKWJOOJWTDKC-YVMONPNESA-N 0 0 290.319 1.839 20 5 CDBDRN CC(C)n1[nH]cnc1=NC(=O)c1ccccc1[N+](=O)[O-] ZINC000425610093 246901043 /nfs/dbraw/zinc/90/10/43/246901043.db2.gz OZGYGSPXGYVQPO-UHFFFAOYSA-N 0 0 275.268 1.441 20 5 CDBDRN COC(=O)N(C)CC(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000493424598 375452527 /nfs/dbraw/zinc/45/25/27/375452527.db2.gz HLMXVLJUFUYUHQ-UHFFFAOYSA-N 0 0 296.279 1.379 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](CO)C2)n1 ZINC000296325905 375560569 /nfs/dbraw/zinc/56/05/69/375560569.db2.gz OUAGJYCKMOYNNO-BDAKNGLRSA-N 0 0 295.295 1.349 20 5 CDBDRN CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000353178566 375584156 /nfs/dbraw/zinc/58/41/56/375584156.db2.gz AJDVWBWAZIHCMT-WPRPVWTQSA-N 0 0 284.268 1.112 20 5 CDBDRN O=C(NCc1ccncn1)c1ccc([N+](=O)[O-])cc1F ZINC000353550004 375624093 /nfs/dbraw/zinc/62/40/93/375624093.db2.gz MOQGVYAKLGGZEX-UHFFFAOYSA-N 0 0 276.227 1.454 20 5 CDBDRN CCOC1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000294035415 375646415 /nfs/dbraw/zinc/64/64/15/375646415.db2.gz IILCPAKYKKOEQG-UHFFFAOYSA-N 0 0 286.309 1.004 20 5 CDBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[C@H](F)C1 ZINC000344889351 375649212 /nfs/dbraw/zinc/64/92/12/375649212.db2.gz CNJDGWSOIZOGJZ-IUCAKERBSA-N 0 0 288.300 1.764 20 5 CDBDRN COCCN(CCOC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000058060090 375649517 /nfs/dbraw/zinc/64/95/17/375649517.db2.gz LANMXHDJDMJZOH-UHFFFAOYSA-N 0 0 288.325 1.391 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(C)n1 ZINC000344917743 375663243 /nfs/dbraw/zinc/66/32/43/375663243.db2.gz DAZLFJOBGNQUEC-UHFFFAOYSA-N 0 0 288.263 1.954 20 5 CDBDRN CC(=O)NCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887517 375643065 /nfs/dbraw/zinc/64/30/65/375643065.db2.gz KKJFGOBSAPEZOE-UHFFFAOYSA-N 0 0 259.212 1.421 20 5 CDBDRN C[C@@H](NC(=O)c1ccc(N)nc1)c1cccc([N+](=O)[O-])c1 ZINC000604496585 375679623 /nfs/dbraw/zinc/67/96/23/375679623.db2.gz 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COC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-] ZINC001610243573 1165269412 /nfs/dbraw/zinc/26/94/12/1165269412.db2.gz HZCMAOKZIVHVCQ-CYBMUJFWSA-N 0 0 298.295 1.183 20 5 CDBDRN O=C([O-])CC1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC001610758112 1165430566 /nfs/dbraw/zinc/43/05/66/1165430566.db2.gz KEIPTDFHHRVHLR-UHFFFAOYSA-N 0 0 282.300 1.168 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCCC(=O)N(C)C ZINC000873500911 1165565778 /nfs/dbraw/zinc/56/57/78/1165565778.db2.gz ILGODBNJHBYZMT-UHFFFAOYSA-N 0 0 294.307 1.847 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(O)C2)c1F ZINC001173178845 912279319 /nfs/dbraw/zinc/27/93/19/912279319.db2.gz BRQJMPIEFCYUML-MRVPVSSYSA-N 0 0 284.287 1.350 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(=O)C2)c1F ZINC001173190308 912283752 /nfs/dbraw/zinc/28/37/52/912283752.db2.gz SKOZHMGMFUUQNH-SECBINFHSA-N 0 0 296.298 1.948 20 5 CDBDRN Cc1ncc(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC001173226943 912320301 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O=[N+]([O-])C[C@H](Oc1cnncc1Cl)c1cccnc1 ZINC001228941263 907649553 /nfs/dbraw/zinc/64/95/53/907649553.db2.gz NEBRNVZSSNVOFS-NSHDSACASA-N 0 0 280.671 1.922 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC1CC2(C1)CS(=O)(=O)C2 ZINC001168206207 907925115 /nfs/dbraw/zinc/92/51/15/907925115.db2.gz IYMWFOKEZSNMGO-UHFFFAOYSA-N 0 0 296.348 1.892 20 5 CDBDRN Cc1ccc(Nc2cnn(C)c2C(N)=O)c([N+](=O)[O-])c1 ZINC001214165327 908057502 /nfs/dbraw/zinc/05/75/02/908057502.db2.gz QRHPRCZEUULNPY-UHFFFAOYSA-N 0 0 275.268 1.479 20 5 CDBDRN COC[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C1CC1 ZINC001161723420 921432788 /nfs/dbraw/zinc/43/27/88/921432788.db2.gz OIHXCFYMTZSKSB-SECBINFHSA-N 0 0 287.703 1.719 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1CO[C@H]1CCCOC1=O ZINC001223944183 908715549 /nfs/dbraw/zinc/71/55/49/908715549.db2.gz YVDUKFHLAQGFTJ-NSHDSACASA-N 0 0 281.264 1.826 20 5 CDBDRN COc1nc(NCCc2nncs2)ccc1[N+](=O)[O-] ZINC001161727977 921441948 /nfs/dbraw/zinc/44/19/48/921441948.db2.gz JCHRRDSLWBGHHF-UHFFFAOYSA-N 0 0 281.297 1.505 20 5 CDBDRN Cc1cnc(NC[C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC001168343961 909129878 /nfs/dbraw/zinc/12/98/78/909129878.db2.gz IZXXTIUSVKURQE-WVSHTKLVSA-N 0 0 251.286 1.871 20 5 CDBDRN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC ZINC000697915175 909579295 /nfs/dbraw/zinc/57/92/95/909579295.db2.gz HSWCWVCWUQDEAG-LLVKDONJSA-N 0 0 285.731 1.862 20 5 CDBDRN CCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000036839212 909766973 /nfs/dbraw/zinc/76/69/73/909766973.db2.gz JGJJLILIGJJADA-SNVBAGLBSA-N 0 0 282.296 1.946 20 5 CDBDRN Cc1nc(NCCNC(=O)CC2CC2)ccc1[N+](=O)[O-] ZINC001093486247 909856068 /nfs/dbraw/zinc/85/60/68/909856068.db2.gz KQNNPGSZCMAAFR-UHFFFAOYSA-N 0 0 278.312 1.626 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cnon2)c1 ZINC001093798284 910145890 /nfs/dbraw/zinc/14/58/90/910145890.db2.gz KRFZPJNHAVQNCT-UHFFFAOYSA-N 0 0 291.267 1.128 20 5 CDBDRN O=C(NCCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001094277132 910438977 /nfs/dbraw/zinc/43/89/77/910438977.db2.gz 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/nfs/dbraw/zinc/32/98/09/918329809.db2.gz LTKKABFYHBCVIR-UHFFFAOYSA-N 0 0 291.267 1.243 20 5 CDBDRN CC(C)(C)[C@H](CO)Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001168552835 919129873 /nfs/dbraw/zinc/12/98/73/919129873.db2.gz SMJFLSRIRGICEV-QMMMGPOBSA-N 0 0 273.264 1.186 20 5 CDBDRN COc1ncc([N+](=O)[O-])c(NCc2nccc(C)n2)n1 ZINC001162190867 922023636 /nfs/dbraw/zinc/02/36/36/922023636.db2.gz GGTTXGLCLJDSKT-UHFFFAOYSA-N 0 0 276.256 1.104 20 5 CDBDRN COC(=O)N(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000689584913 936775159 /nfs/dbraw/zinc/77/51/59/936775159.db2.gz NQVVHLFRAGUVHZ-UHFFFAOYSA-N 0 0 260.275 1.161 20 5 CDBDRN CCCCC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001099977677 936828552 /nfs/dbraw/zinc/82/85/52/936828552.db2.gz BTEIZSQINSCBCV-UHFFFAOYSA-N 0 0 280.328 1.732 20 5 CDBDRN Cc1cnc(N2CC(N3CC(F)C3)C2)c([N+](=O)[O-])c1 ZINC001163754268 924134719 /nfs/dbraw/zinc/13/47/19/924134719.db2.gz RCEBBGDFFFMBHA-UHFFFAOYSA-N 0 0 266.276 1.141 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CC2CC2)n1 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252.318 1.708 20 5 CDBDRN Cc1cc(N2CC(OCCO)C2)ccc1[N+](=O)[O-] ZINC001548523816 967541915 /nfs/dbraw/zinc/54/19/15/967541915.db2.gz OGNAHSKICQPFRQ-UHFFFAOYSA-N 0 0 252.270 1.101 20 5 CDBDRN Cc1cc(NC(=O)[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC001353486546 968009327 /nfs/dbraw/zinc/00/93/27/968009327.db2.gz WBALJMJKGWHELT-GFCCVEGCSA-N 0 0 263.297 1.936 20 5 CDBDRN CCN(CCNC(=O)CSC)c1ccc([N+](=O)[O-])cc1 ZINC001100441715 968364537 /nfs/dbraw/zinc/36/45/37/968364537.db2.gz AJCMOPWVEDRYNI-UHFFFAOYSA-N 0 0 297.380 1.900 20 5 CDBDRN O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC(=O)CC1 ZINC001354435605 968716605 /nfs/dbraw/zinc/71/66/05/968716605.db2.gz AAGZPGUSQHGKGX-KGLIPLIRSA-N 0 0 288.303 1.890 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCCC(F)F ZINC001529267320 969019643 /nfs/dbraw/zinc/01/96/43/969019643.db2.gz DHSLIHIJDWVQER-UHFFFAOYSA-N 0 0 258.224 1.909 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])NCCC(F)F ZINC001355173974 969073039 /nfs/dbraw/zinc/07/30/39/969073039.db2.gz 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Cc1nc(NCCN2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000178034098 189086869 /nfs/dbraw/zinc/08/68/69/189086869.db2.gz WVNWVOGHSWUNSN-UHFFFAOYSA-N 0 0 294.355 1.821 20 5 CDBDRN COCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000054356221 360626733 /nfs/dbraw/zinc/62/67/33/360626733.db2.gz PZLHQNNOWWQQDE-NSHDSACASA-N 0 0 295.339 1.808 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cccs1 ZINC000178362556 189110915 /nfs/dbraw/zinc/11/09/15/189110915.db2.gz PEFWHDBYGGCVHZ-UHFFFAOYSA-N 0 0 295.324 1.352 20 5 CDBDRN Cc1nc(N2CCC[C@@H](c3ncc[nH]3)C2)ncc1[N+](=O)[O-] ZINC000297227557 360637457 /nfs/dbraw/zinc/63/74/57/360637457.db2.gz TVGJMAZBXJVLOH-SNVBAGLBSA-N 0 0 288.311 1.800 20 5 CDBDRN Cc1c(CC(=O)N2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000178747295 189142609 /nfs/dbraw/zinc/14/26/09/189142609.db2.gz SPJQOAFKYQCEQJ-CQSZACIVSA-N 0 0 278.308 1.429 20 5 CDBDRN O=C(c1csc([N+](=O)[O-])c1)N(CCO)C1CC1 ZINC000178804723 189147158 /nfs/dbraw/zinc/14/71/58/189147158.db2.gz DLKMAPLBBZQHEN-UHFFFAOYSA-N 0 0 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CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000191540836 361104895 /nfs/dbraw/zinc/10/48/95/361104895.db2.gz CXWKKOYVMZRPKX-QMMMGPOBSA-N 0 0 297.286 1.331 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc[nH]n1 ZINC000180587851 189264285 /nfs/dbraw/zinc/26/42/85/189264285.db2.gz BPDXLPLYXNKVPW-QMMMGPOBSA-N 0 0 290.283 1.904 20 5 CDBDRN CN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000301068374 200906895 /nfs/dbraw/zinc/90/68/95/200906895.db2.gz JBIGURAHAUVHAT-UHFFFAOYSA-N 0 0 277.259 1.743 20 5 CDBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC(F)C1 ZINC000345531776 361175051 /nfs/dbraw/zinc/17/50/51/361175051.db2.gz DUYRGBHMVHUSLW-UHFFFAOYSA-N 0 0 270.285 1.867 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@H](F)C1 ZINC000345599865 361238698 /nfs/dbraw/zinc/23/86/98/361238698.db2.gz CVVFHCSSLLDKQU-UWVGGRQHSA-N 0 0 282.271 1.980 20 5 CDBDRN CCCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000180979353 189285618 /nfs/dbraw/zinc/28/56/18/189285618.db2.gz 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374736362 /nfs/dbraw/zinc/73/63/62/374736362.db2.gz SSPROAWGZPHWAW-LLVKDONJSA-N 0 0 294.307 1.752 20 5 CDBDRN Cc1cnc(N2CC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000276710302 374743539 /nfs/dbraw/zinc/74/35/39/374743539.db2.gz JGVKRZLRYGBBDU-LLVKDONJSA-N 0 0 290.323 1.499 20 5 CDBDRN C[N@@H+]1CC[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000449521075 374816064 /nfs/dbraw/zinc/81/60/64/374816064.db2.gz HMYKMHDNIYINEO-YGRLFVJLSA-N 0 0 277.324 1.436 20 5 CDBDRN CC1(O)CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000277838620 374818599 /nfs/dbraw/zinc/81/85/99/374818599.db2.gz YJSOZRSLFGYTAH-UHFFFAOYSA-N 0 0 289.291 1.212 20 5 CDBDRN O=C(Nc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000042256608 374818880 /nfs/dbraw/zinc/81/88/80/374818880.db2.gz YHXJFUIMBZZDTN-UHFFFAOYSA-N 0 0 250.189 1.709 20 5 CDBDRN COC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000093528359 374763928 /nfs/dbraw/zinc/76/39/28/374763928.db2.gz MIDMSNJAFKTBSZ-YVARQFDVSA-N 0 0 292.335 1.955 20 5 CDBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000154854623 374766812 /nfs/dbraw/zinc/76/68/12/374766812.db2.gz JUVGQLQFTWEHFU-RNCFNFMXSA-N 0 0 283.303 1.865 20 5 CDBDRN CN1CC(=O)N(CCc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000277297970 374780481 /nfs/dbraw/zinc/78/04/81/374780481.db2.gz RJETZAKSNCKCTH-UHFFFAOYSA-N 0 0 297.698 1.685 20 5 CDBDRN C[C@@H]1C(=O)N(CCc2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000277531484 374791287 /nfs/dbraw/zinc/79/12/87/374791287.db2.gz XQYDKXPOQLOTNV-SECBINFHSA-N 0 0 277.280 1.420 20 5 CDBDRN O=C(NC[C@H]1CCSC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000330997067 374880173 /nfs/dbraw/zinc/88/01/73/374880173.db2.gz UJWSMOHNOOPCDV-SSDOTTSWSA-N 0 0 255.299 1.406 20 5 CDBDRN CC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774671 374847391 /nfs/dbraw/zinc/84/73/91/374847391.db2.gz HHMRXEXYAQVFHM-UHFFFAOYSA-N 0 0 295.314 1.788 20 5 CDBDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331169807 374900333 /nfs/dbraw/zinc/90/03/33/374900333.db2.gz 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CCc1nn(C)c(N[C@@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000302388106 375196253 /nfs/dbraw/zinc/19/62/53/375196253.db2.gz BGPUJZJEZYKOIJ-MWLCHTKSSA-N 0 0 282.344 1.854 20 5 CDBDRN NCC(F)(F)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000162565328 375203053 /nfs/dbraw/zinc/20/30/53/375203053.db2.gz WMNXSPYZRPVOQZ-UHFFFAOYSA-N 0 0 293.657 1.572 20 5 CDBDRN CN(CC1(O)CCCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000489997219 375204093 /nfs/dbraw/zinc/20/40/93/375204093.db2.gz ZKOLHBODYUAERP-UHFFFAOYSA-N 0 0 282.344 1.850 20 5 CDBDRN CCOC(=O)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000162107125 375275211 /nfs/dbraw/zinc/27/52/11/375275211.db2.gz NOHITIVXMSFQAJ-UHFFFAOYSA-N 0 0 280.280 1.125 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccncc1 ZINC000303073093 375294415 /nfs/dbraw/zinc/29/44/15/375294415.db2.gz XXPJEECLTLOYBV-UHFFFAOYSA-N 0 0 275.268 1.524 20 5 CDBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCNC1=O ZINC000351609881 375312040 /nfs/dbraw/zinc/31/20/40/375312040.db2.gz NFDXGDHRIXWQPB-SNVBAGLBSA-N 0 0 296.258 1.086 20 5 CDBDRN CSc1ccc(C(=O)N2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000351853403 375336098 /nfs/dbraw/zinc/33/60/98/375336098.db2.gz CBAOVWUQCXUSHK-KCJUWKMLSA-N 0 0 296.348 1.770 20 5 CDBDRN CC(C)CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000045483359 375429761 /nfs/dbraw/zinc/42/97/61/375429761.db2.gz DCQONSHLGZBPLS-UHFFFAOYSA-N 0 0 254.290 1.296 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493290281 375434942 /nfs/dbraw/zinc/43/49/42/375434942.db2.gz PKWJLSWQUMKWQZ-ZFVKQSTNSA-N 0 0 276.292 1.902 20 5 CDBDRN COc1ccc(C(=O)N(C)CCCCCO)cc1[N+](=O)[O-] ZINC000227095830 375438376 /nfs/dbraw/zinc/43/83/76/375438376.db2.gz WHQTWEKJSFNYOI-UHFFFAOYSA-N 0 0 296.323 1.838 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCCCO ZINC000227099793 375438573 /nfs/dbraw/zinc/43/85/73/375438573.db2.gz NXQMOBKXTLGLHB-UHFFFAOYSA-N 0 0 296.323 1.838 20 5 CDBDRN CC(C)[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000304406356 375445548 /nfs/dbraw/zinc/44/55/48/375445548.db2.gz 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COC(=O)N1CCC(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000496074412 375706734 /nfs/dbraw/zinc/70/67/34/375706734.db2.gz CUUFGXRMSITHIH-UHFFFAOYSA-N 0 0 294.311 1.880 20 5 CDBDRN C[C@]1(F)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000354617601 375734222 /nfs/dbraw/zinc/73/42/22/375734222.db2.gz BWWHCYTVEYTHBY-NSHDSACASA-N 0 0 288.300 1.717 20 5 CDBDRN C[C@H]1OCC[C@H]1SCCn1ccc([N+](=O)[O-])n1 ZINC000163586318 375744477 /nfs/dbraw/zinc/74/44/77/375744477.db2.gz CBHRKTQWEPCKET-RKDXNWHRSA-N 0 0 257.315 1.702 20 5 CDBDRN COC(=O)NCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000496413282 375744500 /nfs/dbraw/zinc/74/45/00/375744500.db2.gz WGCCUWQNTYYOMA-UHFFFAOYSA-N 0 0 287.297 1.051 20 5 CDBDRN NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000163634034 375756173 /nfs/dbraw/zinc/75/61/73/375756173.db2.gz FZGAUCQMZMDOGG-NWDGAFQWSA-N 0 0 291.307 1.369 20 5 CDBDRN Nc1c(C(=O)N2CCC[C@@H]2CF)cccc1[N+](=O)[O-] ZINC000294209487 375746675 /nfs/dbraw/zinc/74/66/75/375746675.db2.gz VMTXNTUCMGNHKL-MRVPVSSYSA-N 0 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/nfs/dbraw/zinc/07/48/49/199074849.db2.gz LCAXMDNIVNHEOG-LBPRGKRZSA-N 0 0 279.296 1.332 20 5 CDBDRN COCCCNc1ccc([N+](=O)[O-])c(NCCCOC)n1 ZINC000189965953 358046652 /nfs/dbraw/zinc/04/66/52/358046652.db2.gz NTNAGOSGPVEIAB-UHFFFAOYSA-N 0 0 298.343 1.887 20 5 CDBDRN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000084201298 358048354 /nfs/dbraw/zinc/04/83/54/358048354.db2.gz NUXPJDNUHVWOKD-UHFFFAOYSA-N 0 0 297.698 1.162 20 5 CDBDRN CCN(CC(N)=O)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000189722691 358038427 /nfs/dbraw/zinc/03/84/27/358038427.db2.gz ZHAUULGRZWFSMK-UHFFFAOYSA-N 0 0 297.336 1.021 20 5 CDBDRN COCCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000190316987 358066072 /nfs/dbraw/zinc/06/60/72/358066072.db2.gz OWOKHURNQFCUGQ-UHFFFAOYSA-N 0 0 282.296 1.678 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCOCCO ZINC000287066684 358091445 /nfs/dbraw/zinc/09/14/45/358091445.db2.gz SQWBOBRGUXXVGZ-UHFFFAOYSA-N 0 0 298.295 1.111 20 5 CDBDRN C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190905610 358099211 /nfs/dbraw/zinc/09/92/11/358099211.db2.gz IEEOCHHDEBDUGS-NEPJUHHUSA-N 0 0 280.324 1.534 20 5 CDBDRN CCOC(=O)CN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000135274606 358139288 /nfs/dbraw/zinc/13/92/88/358139288.db2.gz ASULSQZBONXJPQ-UHFFFAOYSA-N 0 0 253.258 1.298 20 5 CDBDRN C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000408144117 358181966 /nfs/dbraw/zinc/18/19/66/358181966.db2.gz ZHSXBEQBHIXKAR-PELKAZGASA-N 0 0 297.286 1.969 20 5 CDBDRN Nc1cc(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)[nH]n1 ZINC000192479387 358207284 /nfs/dbraw/zinc/20/72/84/358207284.db2.gz LIPPNWXZFYFIPR-UHFFFAOYSA-N 0 0 294.340 1.741 20 5 CDBDRN CCC(=O)N1CC[C@H](Nc2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000192690532 358227452 /nfs/dbraw/zinc/22/74/52/358227452.db2.gz RRJNNOKYZMBWOE-JTQLQIEISA-N 0 0 295.343 1.542 20 5 CDBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ncc[nH]1 ZINC000140935166 358227808 /nfs/dbraw/zinc/22/78/08/358227808.db2.gz GTYPQVUTWBFFKP-ZCFIWIBFSA-N 0 0 266.282 1.870 20 5 CDBDRN C[C@H]1COCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610947033 358237511 /nfs/dbraw/zinc/23/75/11/358237511.db2.gz ZAYSQIAQHMZVQP-QMMMGPOBSA-N 0 0 253.258 1.174 20 5 CDBDRN Cc1cc(COC(=O)Cn2cc([N+](=O)[O-])nc2C)ns1 ZINC000193537927 358302393 /nfs/dbraw/zinc/30/23/93/358302393.db2.gz FHJWLBSTEJMYAC-UHFFFAOYSA-N 0 0 296.308 1.608 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCO ZINC000193686372 358316492 /nfs/dbraw/zinc/31/64/92/358316492.db2.gz GMLUESSLSVQXIX-UHFFFAOYSA-N 0 0 267.285 1.797 20 5 CDBDRN O=C(Nc1ccncc1[N+](=O)[O-])N(CCO)CC(F)F ZINC000193967458 358334347 /nfs/dbraw/zinc/33/43/47/358334347.db2.gz JLMBONTZXYBWTK-UHFFFAOYSA-N 0 0 290.226 1.081 20 5 CDBDRN CCN(CC(F)F)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193971890 358334741 /nfs/dbraw/zinc/33/47/41/358334741.db2.gz IQHHFRVSOJAAPM-UHFFFAOYSA-N 0 0 275.211 1.423 20 5 CDBDRN C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC000408199275 358370628 /nfs/dbraw/zinc/37/06/28/358370628.db2.gz QUBXPXVMJQQDPB-OAHLLOKOSA-N 0 0 290.319 1.906 20 5 CDBDRN Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000287349288 358444354 /nfs/dbraw/zinc/44/43/54/358444354.db2.gz ZOBTYBSCCTXFRN-JTQLQIEISA-N 0 0 265.313 1.583 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc2n(n1)CCO2 ZINC000361717379 358448801 /nfs/dbraw/zinc/44/88/01/358448801.db2.gz OPHVQHCLAVZQRA-UHFFFAOYSA-N 0 0 292.226 1.575 20 5 CDBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)OC ZINC000290780529 358412010 /nfs/dbraw/zinc/41/20/10/358412010.db2.gz WHTYAQKDUGBCIR-ZETCQYMHSA-N 0 0 266.257 1.968 20 5 CDBDRN CCC(=O)c1ccc(N2CC(O)(COC)C2)c([N+](=O)[O-])c1 ZINC000294918290 199248643 /nfs/dbraw/zinc/24/86/43/199248643.db2.gz GIIYXABDPUAHBJ-UHFFFAOYSA-N 0 0 294.307 1.385 20 5 CDBDRN CC[C@@](C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000137581267 358631292 /nfs/dbraw/zinc/63/12/92/358631292.db2.gz LLWSDXPWLXGAQD-ZDUSSCGKSA-N 0 0 282.296 1.494 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000595189655 358635807 /nfs/dbraw/zinc/63/58/07/358635807.db2.gz CZXBWLXDNXITSE-NXEZZACHSA-N 0 0 289.291 1.402 20 5 CDBDRN CC(C)O[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000592134071 358588895 /nfs/dbraw/zinc/58/88/95/358588895.db2.gz JQBFKBHGLAUIAY-SNVBAGLBSA-N 0 0 268.317 1.328 20 5 CDBDRN Cc1ccc(F)c(CN(C)c2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000436424736 358652669 /nfs/dbraw/zinc/65/26/69/358652669.db2.gz IBQIWVHEKQZZSN-UHFFFAOYSA-N 0 0 291.286 1.881 20 5 CDBDRN CN(C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000098129673 358653651 /nfs/dbraw/zinc/65/36/51/358653651.db2.gz ASFLYYRYIXBOCC-UHFFFAOYSA-N 0 0 291.263 1.124 20 5 CDBDRN CN(C[C@@H]1COCCO1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000596457707 358662331 /nfs/dbraw/zinc/66/23/31/358662331.db2.gz QTFFVHQIVWEHAX-MRVPVSSYSA-N 0 0 285.275 1.168 20 5 CDBDRN CC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCOCC1 ZINC000290848448 358677268 /nfs/dbraw/zinc/67/72/68/358677268.db2.gz WZIBBAIVYIYEFT-UHFFFAOYSA-N 0 0 294.311 1.317 20 5 CDBDRN COC(=O)[C@H](CCn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000567469993 358682447 /nfs/dbraw/zinc/68/24/47/358682447.db2.gz FWZMAJTWXWVNBX-LLVKDONJSA-N 0 0 290.279 1.533 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@]2(CCSC2)C1 ZINC000567798999 358735386 /nfs/dbraw/zinc/73/53/86/358735386.db2.gz YXZIUSOWUMGFQW-LBPRGKRZSA-N 0 0 298.368 1.036 20 5 CDBDRN CCc1n[nH]c(C(=O)NCC2(CC)CC2)c1[N+](=O)[O-] ZINC000176207938 358737323 /nfs/dbraw/zinc/73/73/23/358737323.db2.gz HTUBRPARKRUVCB-UHFFFAOYSA-N 0 0 266.301 1.800 20 5 CDBDRN COC(=O)C1(N(C)CCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000159203159 358817062 /nfs/dbraw/zinc/81/70/62/358817062.db2.gz HKQQNHYIPSJEAD-UHFFFAOYSA-N 0 0 296.327 1.209 20 5 CDBDRN O=[N+]([O-])c1cccnc1N[C@H](CO)C1CCCC1 ZINC000290928371 358775016 /nfs/dbraw/zinc/77/50/16/358775016.db2.gz YLZMGEOIPHZMCJ-SNVBAGLBSA-N 0 0 251.286 1.953 20 5 CDBDRN CCCC[C@H](C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290943672 358786194 /nfs/dbraw/zinc/78/61/94/358786194.db2.gz MBRZZXYLEASXJL-JTQLQIEISA-N 0 0 268.317 1.828 20 5 CDBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC1 ZINC000128541679 358798130 /nfs/dbraw/zinc/79/81/30/358798130.db2.gz FEXWWOMRGAGUAC-UHFFFAOYSA-N 0 0 274.273 1.518 20 5 CDBDRN C/C=C/C[C@@H](CO)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000274567247 358827100 /nfs/dbraw/zinc/82/71/00/358827100.db2.gz LHWRIZNBSDRWAM-MOVJSRMASA-N 0 0 296.327 1.498 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000457450872 366475739 /nfs/dbraw/zinc/47/57/39/366475739.db2.gz RWFLJERKSBPESJ-KOLCDFICSA-N 0 0 294.307 1.901 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2cnn(CC3(CO)COC3)c2)c1 ZINC000538658821 358887805 /nfs/dbraw/zinc/88/78/05/358887805.db2.gz QZZHXNOPGDOKNE-UHFFFAOYSA-N 0 0 289.291 1.467 20 5 CDBDRN CCN(C[C@H](C)OC)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000291176936 358888176 /nfs/dbraw/zinc/88/81/76/358888176.db2.gz FGWFIAPTWXJHOH-NSHDSACASA-N 0 0 296.323 1.857 20 5 CDBDRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000103366294 358918155 /nfs/dbraw/zinc/91/81/55/358918155.db2.gz SFRFQYHBZSAFHQ-AOOOYVTPSA-N 0 0 266.301 1.581 20 5 CDBDRN CCN(C[C@H](C)OC)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000291194294 358894379 /nfs/dbraw/zinc/89/43/79/358894379.db2.gz GWYIUVLAGDZOQH-VIFPVBQESA-N 0 0 281.312 1.674 20 5 CDBDRN C[S@@](=O)c1nncn1CCOc1cccc([N+](=O)[O-])c1 ZINC000103924092 358937838 /nfs/dbraw/zinc/93/78/38/358937838.db2.gz HHCBOWAWOAEASF-FQEVSTJZSA-N 0 0 296.308 1.003 20 5 CDBDRN CO[C@@H]1COCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000450688558 358979515 /nfs/dbraw/zinc/97/95/15/358979515.db2.gz CQNGQVYDYKNNDN-LDYMZIIASA-N 0 0 299.302 1.780 20 5 CDBDRN CON(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000247845244 359035451 /nfs/dbraw/zinc/03/54/51/359035451.db2.gz PLQMQJLLYIOOIX-UHFFFAOYSA-N 0 0 253.258 1.417 20 5 CDBDRN C[C@@H](CC[S@](C)=O)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342289775 358985288 /nfs/dbraw/zinc/98/52/88/358985288.db2.gz FMESYBBKFREVMZ-FHZGZLOMSA-N 0 0 299.352 1.263 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1COCCO1 ZINC000450805066 359008074 /nfs/dbraw/zinc/00/80/74/359008074.db2.gz CDOPQKROSVYIBJ-NSHDSACASA-N 0 0 253.254 1.697 20 5 CDBDRN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCOC2)c(N)c([N+](=O)[O-])c1 ZINC000119794295 359018608 /nfs/dbraw/zinc/01/86/08/359018608.db2.gz DERYWJJJUFCUBU-NXEZZACHSA-N 0 0 293.323 1.640 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C)(C)C1 ZINC000081351937 359081585 /nfs/dbraw/zinc/08/15/85/359081585.db2.gz AGXLSGGEKHOVAI-UHFFFAOYSA-N 0 0 266.301 1.358 20 5 CDBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)O ZINC000338333996 359118612 /nfs/dbraw/zinc/11/86/12/359118612.db2.gz YESQUZJIYWAVFY-UHFFFAOYSA-N 0 0 266.297 1.367 20 5 CDBDRN C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541924158 359052349 /nfs/dbraw/zinc/05/23/49/359052349.db2.gz SSCFQEMBJQXNPX-UWVGGRQHSA-N 0 0 294.311 1.036 20 5 CDBDRN COC(=O)CCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000051769013 359056961 /nfs/dbraw/zinc/05/69/61/359056961.db2.gz JTOWVIRHSGUQSP-UHFFFAOYSA-N 0 0 280.280 1.620 20 5 CDBDRN C[C@H](C1CC1)N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000569179138 359127287 /nfs/dbraw/zinc/12/72/87/359127287.db2.gz SNWQJYUYWAGDDE-MRVPVSSYSA-N 0 0 285.325 1.409 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[C@H](CO)O2)c1 ZINC000338730874 359162697 /nfs/dbraw/zinc/16/26/97/359162697.db2.gz WNDMVFBYVCYTQZ-WDEREUQCSA-N 0 0 282.296 1.555 20 5 CDBDRN Cc1cccnc1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000296515109 199916386 /nfs/dbraw/zinc/91/63/86/199916386.db2.gz VFGRSMLEZAPLBM-UHFFFAOYSA-N 0 0 289.295 1.384 20 5 CDBDRN C[C@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000048336813 359202367 /nfs/dbraw/zinc/20/23/67/359202367.db2.gz DJYLPFAYHYYXCT-SNVBAGLBSA-N 0 0 283.303 1.867 20 5 CDBDRN CCCN(CC(=O)OC)c1ccccc1[N+](=O)[O-] ZINC000050086481 359299650 /nfs/dbraw/zinc/29/96/50/359299650.db2.gz PRCZLABVXILFIC-UHFFFAOYSA-N 0 0 252.270 1.984 20 5 CDBDRN C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCC1 ZINC000220942038 359334765 /nfs/dbraw/zinc/33/47/65/359334765.db2.gz IHQDUYJEAGVOMQ-UHFFFAOYSA-N 0 0 293.323 1.515 20 5 CDBDRN C[C@H]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000339515245 359408772 /nfs/dbraw/zinc/40/87/72/359408772.db2.gz PWQSLGOKNBQIFM-WDEREUQCSA-N 0 0 280.328 1.734 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1CCOC[C@H]1CC1CCC1 ZINC000339769878 359438705 /nfs/dbraw/zinc/43/87/05/359438705.db2.gz VRSVUEPJKLKHBH-GFCCVEGCSA-N 0 0 294.355 1.719 20 5 CDBDRN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000163012574 359507229 /nfs/dbraw/zinc/50/72/29/359507229.db2.gz WWXLNUOLXRSPLE-LLVKDONJSA-N 0 0 296.348 1.938 20 5 CDBDRN C[C@]1(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000157033522 237090289 /nfs/dbraw/zinc/09/02/89/237090289.db2.gz QSTWVBMSYSFZLS-UZYOAWRESA-N 0 0 276.292 1.903 20 5 CDBDRN C[C@@]1(O)CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000161646619 237209806 /nfs/dbraw/zinc/20/98/06/237209806.db2.gz ZPOCTOFYTRXZKF-LLVKDONJSA-N 0 0 282.325 1.655 20 5 CDBDRN Cc1nc(NC[C@@H](O)c2ccsc2)ncc1[N+](=O)[O-] ZINC000296928965 200037057 /nfs/dbraw/zinc/03/70/57/200037057.db2.gz 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299.714 1.889 20 5 CDBDRN CCOC(=O)[C@@H](CC)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226169351 941962336 /nfs/dbraw/zinc/96/23/36/941962336.db2.gz BBBWSHAPSREPNI-SNVBAGLBSA-N 0 0 296.279 1.414 20 5 CDBDRN COCC(COC)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226186363 941964156 /nfs/dbraw/zinc/96/41/56/941964156.db2.gz BPSORWMERWZVHV-UHFFFAOYSA-N 0 0 277.223 1.913 20 5 CDBDRN CC(=O)c1ccc(O[C@@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001226289689 941980815 /nfs/dbraw/zinc/98/08/15/941980815.db2.gz YRSFNYOBXUNIGM-LLVKDONJSA-N 0 0 265.221 1.492 20 5 CDBDRN CC(=O)c1ccc(O[C@@H]2COC[C@H]2F)c([N+](=O)[O-])c1 ZINC001226289272 941981112 /nfs/dbraw/zinc/98/11/12/941981112.db2.gz VFIQEQKRHZIWAD-BXKDBHETSA-N 0 0 269.228 1.913 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC001226448001 942006591 /nfs/dbraw/zinc/00/65/91/942006591.db2.gz VCWRBENONVPTGJ-SECBINFHSA-N 0 0 287.293 1.169 20 5 CDBDRN Cc1nn(C)cc1[C@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226729234 942058721 /nfs/dbraw/zinc/05/87/21/942058721.db2.gz 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O=C1OC[C@@H](COc2nc3ccc([N+](=O)[O-])cc3o2)O1 ZINC001227234061 942154397 /nfs/dbraw/zinc/15/43/97/942154397.db2.gz KELSWZSVKBEIIY-SSDOTTSWSA-N 0 0 280.192 1.650 20 5 CDBDRN O=[N+]([O-])c1cccc2oc(O[C@@H]3CCOC3)nc21 ZINC001227238192 942155632 /nfs/dbraw/zinc/15/56/32/942155632.db2.gz LVJUOMIYOFWAAK-SSDOTTSWSA-N 0 0 250.210 1.904 20 5 CDBDRN CCN1CC(Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227295729 942165041 /nfs/dbraw/zinc/16/50/41/942165041.db2.gz PPALOXKNJSYCEW-UHFFFAOYSA-N 0 0 280.280 1.464 20 5 CDBDRN C[C@H](C[N+](C)(C)C)Oc1[n-]c(=O)nc2cc[nH]c21 ZINC001227809958 942230304 /nfs/dbraw/zinc/23/03/04/942230304.db2.gz RMMUOPFGMVMKNV-MRVPVSSYSA-O 0 0 251.310 1.137 20 5 CDBDRN COC(=O)C[C@@H](C)Oc1cccc(C(=O)OC)c1[N+](=O)[O-] ZINC001227894200 942241382 /nfs/dbraw/zinc/24/13/82/942241382.db2.gz KVVIWXDLFBOKHT-MRVPVSSYSA-N 0 0 297.263 1.712 20 5 CDBDRN CCOC(=O)N1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987894 942252273 /nfs/dbraw/zinc/25/22/73/942252273.db2.gz LPOVRIBIPCAIBR-LLVKDONJSA-N 0 0 295.295 1.990 20 5 CDBDRN O=[N+]([O-])c1c(Cl)ccnc1OC1COCOC1 ZINC001228014417 942257205 /nfs/dbraw/zinc/25/72/05/942257205.db2.gz KPYOEOMQRVNJIA-UHFFFAOYSA-N 0 0 260.633 1.395 20 5 CDBDRN CC[C@H](O)C(=O)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228015828 942258474 /nfs/dbraw/zinc/25/84/74/942258474.db2.gz XZFZNDUMBUVWGW-LURJTMIESA-N 0 0 260.633 1.320 20 5 CDBDRN CC(=O)N1CC(Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228017694 942258558 /nfs/dbraw/zinc/25/85/58/942258558.db2.gz ZGQSQXKGIBURIG-UHFFFAOYSA-N 0 0 272.207 1.483 20 5 CDBDRN O=[N+]([O-])c1ccc(OC2COCOC2)c2ncccc12 ZINC001228135415 942273669 /nfs/dbraw/zinc/27/36/69/942273669.db2.gz GTEMLBLGEFHLQX-UHFFFAOYSA-N 0 0 276.248 1.895 20 5 CDBDRN C[C@@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])c1ncccn1 ZINC001228143597 942274591 /nfs/dbraw/zinc/27/45/91/942274591.db2.gz NNKYAASUDOGSLZ-ZCFIWIBFSA-N 0 0 263.213 1.020 20 5 CDBDRN CO[C@@H](COc1nc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228144452 942275816 /nfs/dbraw/zinc/27/58/16/942275816.db2.gz URUZGWOELGJTAT-JTQLQIEISA-N 0 0 291.263 1.857 20 5 CDBDRN CCc1cnc(=O)[nH]c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001228417061 942312920 /nfs/dbraw/zinc/31/29/20/942312920.db2.gz YFBHPEPTAQVZNN-VIFPVBQESA-N 0 0 253.258 1.179 20 5 CDBDRN O=C1NCc2c1cccc2O[C@H](C[N+](=O)[O-])C1CC1 ZINC001228900325 942390051 /nfs/dbraw/zinc/39/00/51/942390051.db2.gz HIWXBASDMJJTFV-GFCCVEGCSA-N 0 0 262.265 1.364 20 5 CDBDRN CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCN(C(C)=O)C1 ZINC001228970849 942401711 /nfs/dbraw/zinc/40/17/11/942401711.db2.gz LKKSXTOVSCKHMG-LLVKDONJSA-N 0 0 292.291 1.797 20 5 CDBDRN O=C1OCC[C@H]1Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229005768 942406251 /nfs/dbraw/zinc/40/62/51/942406251.db2.gz NHQXNDPKWLMQQQ-LLVKDONJSA-N 0 0 274.232 1.837 20 5 CDBDRN CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CN(C)C1 ZINC001229177328 942428514 /nfs/dbraw/zinc/42/85/14/942428514.db2.gz IKBGQQKVFCBXAP-UHFFFAOYSA-N 0 0 264.281 1.880 20 5 CDBDRN O=[N+]([O-])c1cc2cccnc2c(OC[C@@H]2COCCO2)c1 ZINC001229344079 942456180 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/nfs/dbraw/zinc/32/85/82/365328582.db2.gz SULZZHIINWVIMQ-MRVPVSSYSA-N 0 0 256.306 1.327 20 5 CDBDRN CC(=O)NCCCNc1cccc(C)c1[N+](=O)[O-] ZINC000275531317 193069535 /nfs/dbraw/zinc/06/95/35/193069535.db2.gz YGYHJAORSNBNSL-UHFFFAOYSA-N 0 0 251.286 1.841 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCN(OC)CC1 ZINC000413373269 240653187 /nfs/dbraw/zinc/65/31/87/240653187.db2.gz YZBMQVWCWVAQEE-UHFFFAOYSA-N 0 0 297.359 1.582 20 5 CDBDRN COc1cc(N2CC[C@@H](C(N)=O)C2)c(F)cc1[N+](=O)[O-] ZINC000270477884 366887644 /nfs/dbraw/zinc/88/76/44/366887644.db2.gz AFUBAIUXFNHERV-SSDOTTSWSA-N 0 0 283.259 1.054 20 5 CDBDRN C[C@@H](CCCO)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000088507064 365383774 /nfs/dbraw/zinc/38/37/74/365383774.db2.gz IOAXOZOIEOZNMW-NSHDSACASA-N 0 0 295.339 1.598 20 5 CDBDRN Cc1cc(N[C@@H](C)CO[C@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000133703101 365417939 /nfs/dbraw/zinc/41/79/39/365417939.db2.gz MRWYMHQYNUEDGN-QWRGUYRKSA-N 0 0 281.312 1.904 20 5 CDBDRN Cc1cc(C(=O)N2CC(C(C)(C)O)C2)c(N)c([N+](=O)[O-])c1 ZINC000275739939 193117679 /nfs/dbraw/zinc/11/76/79/193117679.db2.gz ZDSINXLHHCZTOH-UHFFFAOYSA-N 0 0 293.323 1.328 20 5 CDBDRN COc1ccc(NC(=O)[C@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000413700996 240855029 /nfs/dbraw/zinc/85/50/29/240855029.db2.gz LEADAITXSPMHMK-GFCCVEGCSA-N 0 0 280.280 1.967 20 5 CDBDRN Nc1c(C(=O)NOCC2CC2)cccc1[N+](=O)[O-] ZINC000293756293 365519917 /nfs/dbraw/zinc/51/99/17/365519917.db2.gz KZZOBQCGOXWIAO-UHFFFAOYSA-N 0 0 251.242 1.248 20 5 CDBDRN CCOC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000548382779 366898782 /nfs/dbraw/zinc/89/87/82/366898782.db2.gz DVDGQEDPKNSOBI-UHFFFAOYSA-N 0 0 269.301 1.478 20 5 CDBDRN O=C1CCCN1[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000270874539 366940543 /nfs/dbraw/zinc/94/05/43/366940543.db2.gz JOQBTJRTHJIQCS-AWEZNQCLSA-N 0 0 289.335 1.792 20 5 CDBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000089835441 366942129 /nfs/dbraw/zinc/94/21/29/366942129.db2.gz KHBOUXFIKZJWLW-NSHDSACASA-N 0 0 264.281 1.290 20 5 CDBDRN CC[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270577103 366904624 /nfs/dbraw/zinc/90/46/24/366904624.db2.gz QXYZLPXIKNTSFJ-MZMNXDGSSA-N 0 0 290.319 1.837 20 5 CDBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000548419721 366905077 /nfs/dbraw/zinc/90/50/77/366905077.db2.gz LGEBNAOWXXQOQZ-OCAPTIKFSA-N 0 0 250.258 1.190 20 5 CDBDRN CSc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cn1 ZINC000548500777 366915616 /nfs/dbraw/zinc/91/56/16/366915616.db2.gz FAPLQJHUDXBSDA-UHFFFAOYSA-N 0 0 293.308 1.698 20 5 CDBDRN CNc1nc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000455954838 252407217 /nfs/dbraw/zinc/40/72/17/252407217.db2.gz TVZNCOOPFZLGLF-AOOOYVTPSA-N 0 0 290.323 1.904 20 5 CDBDRN CCC(=O)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000270734227 366927915 /nfs/dbraw/zinc/92/79/15/366927915.db2.gz DHJVRHSUTGZHMF-UHFFFAOYSA-N 0 0 276.252 1.180 20 5 CDBDRN O=C(N[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000386126362 366932471 /nfs/dbraw/zinc/93/24/71/366932471.db2.gz NFKBIIVWKQQAON-NSHDSACASA-N 0 0 281.312 1.594 20 5 CDBDRN COc1ccc(OC[C@@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000414128513 241077598 /nfs/dbraw/zinc/07/75/98/241077598.db2.gz SKCOKSBQEKMYMK-JTQLQIEISA-N 0 0 293.279 1.240 20 5 CDBDRN Cc1cnc(N(C)CCNC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000271121338 366971154 /nfs/dbraw/zinc/97/11/54/366971154.db2.gz SCUDGFHYBUAHBZ-UHFFFAOYSA-N 0 0 280.328 1.507 20 5 CDBDRN C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000302547388 201477181 /nfs/dbraw/zinc/47/71/81/201477181.db2.gz PHZKPWMXBZALJN-DTWKUNHWSA-N 0 0 299.352 1.843 20 5 CDBDRN CC(C)C[C@@H]1COCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000122424997 367017845 /nfs/dbraw/zinc/01/78/45/367017845.db2.gz SMBZVXXQWRJBMJ-SNVBAGLBSA-N 0 0 296.327 1.215 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000271940880 367036423 /nfs/dbraw/zinc/03/64/23/367036423.db2.gz AAEVIMYVKZRMLD-ONGXEEELSA-N 0 0 296.327 1.174 20 5 CDBDRN C[C@@H]1CO[C@H](CO)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138336 367043805 /nfs/dbraw/zinc/04/38/05/367043805.db2.gz AZFDNLHHNAGOGE-RISCZKNCSA-N 0 0 296.323 1.055 20 5 CDBDRN C[C@H](NC(=O)N[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000179121709 367173348 /nfs/dbraw/zinc/17/33/48/367173348.db2.gz PWCLOYNLPOUUIX-GXSJLCMTSA-N 0 0 279.296 1.744 20 5 CDBDRN Cc1cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)ccc1F ZINC000160704674 370852327 /nfs/dbraw/zinc/85/23/27/370852327.db2.gz YJZOKZCKOREYQH-UHFFFAOYSA-N 0 0 292.270 1.706 20 5 CDBDRN CC[C@H](O)CCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000348359513 367222310 /nfs/dbraw/zinc/22/23/10/367222310.db2.gz BAUQHKMXRZMTFF-JTQLQIEISA-N 0 0 253.302 1.683 20 5 CDBDRN Cc1nc(NCCCOC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000348347104 367206923 /nfs/dbraw/zinc/20/69/23/367206923.db2.gz DRKLIAWCEGYMCF-GFCCVEGCSA-N 0 0 295.339 1.575 20 5 CDBDRN Cc1ccc(N2C(=O)N[C@@H](C3CC3)C2=O)cc1[N+](=O)[O-] ZINC000278115208 367242176 /nfs/dbraw/zinc/24/21/76/367242176.db2.gz QADZASGOBGSEIZ-NSHDSACASA-N 0 0 275.264 1.738 20 5 CDBDRN Cc1ccc(S(=O)(=O)NC[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000416645741 242085584 /nfs/dbraw/zinc/08/55/84/242085584.db2.gz KGPSSRVEQGFCAJ-JTQLQIEISA-N 0 0 296.348 1.982 20 5 CDBDRN CC[C@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OC ZINC000416882159 242208376 /nfs/dbraw/zinc/20/83/76/242208376.db2.gz HSPHKQQGCFNAFI-SECBINFHSA-N 0 0 278.264 1.616 20 5 CDBDRN COc1cc(C(=O)NC(C)(C)CO)cc([N+](=O)[O-])c1OC ZINC000272311887 367674899 /nfs/dbraw/zinc/67/48/99/367674899.db2.gz IIHSLBULQHWKCB-UHFFFAOYSA-N 0 0 298.295 1.113 20 5 CDBDRN CCC[C@H]1NC(=O)N(CCc2ccccc2[N+](=O)[O-])C1=O ZINC000348731246 367725708 /nfs/dbraw/zinc/72/57/08/367725708.db2.gz RNICQHWDEKDALW-LLVKDONJSA-N 0 0 291.307 1.858 20 5 CDBDRN C[C@@H](CCCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000094946806 367739098 /nfs/dbraw/zinc/73/90/98/367739098.db2.gz HMSSQGPPFYBHHT-VIFPVBQESA-N 0 0 288.325 1.034 20 5 CDBDRN COCC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000272526723 367747556 /nfs/dbraw/zinc/74/75/56/367747556.db2.gz AQXHOLQZEKAZGW-QMMMGPOBSA-N 0 0 294.267 1.419 20 5 CDBDRN O=[N+]([O-])c1ccccc1NCCNc1ncnc2n[nH]cc21 ZINC000301091468 367709738 /nfs/dbraw/zinc/70/97/38/367709738.db2.gz SFTJQNJALKSINQ-UHFFFAOYSA-N 0 0 299.294 1.785 20 5 CDBDRN O=C(c1ccc(=O)[nH]n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000348780863 367808081 /nfs/dbraw/zinc/80/80/81/367808081.db2.gz AKZGQZGQPAJOII-UHFFFAOYSA-N 0 0 286.247 1.293 20 5 CDBDRN O=[N+]([O-])c1ccc(OC2CN(c3ncccn3)C2)cc1 ZINC000302776227 201549032 /nfs/dbraw/zinc/54/90/32/201549032.db2.gz OUCJUXQUWXINLL-UHFFFAOYSA-N 0 0 272.264 1.652 20 5 CDBDRN O=C(CNc1ncccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000301189800 368220355 /nfs/dbraw/zinc/22/03/55/368220355.db2.gz RAPWOVABSSLPDI-UHFFFAOYSA-N 0 0 298.302 1.991 20 5 CDBDRN CN(C(=O)[C@H]1CCN(C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352095052 368365875 /nfs/dbraw/zinc/36/58/75/368365875.db2.gz MWDBRPVLBCPASO-JTQLQIEISA-N 0 0 291.307 1.426 20 5 CDBDRN CC(C)CN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525700082 260925702 /nfs/dbraw/zinc/92/57/02/260925702.db2.gz PJVLBCJVCHVYFV-UHFFFAOYSA-N 0 0 273.314 1.266 20 5 CDBDRN CC[C@H](COC)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269338309 368458857 /nfs/dbraw/zinc/45/88/57/368458857.db2.gz BSCKBBHRCZGDAG-MRVPVSSYSA-N 0 0 284.316 1.596 20 5 CDBDRN Cc1csc(N(C)C(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC000330572277 202988555 /nfs/dbraw/zinc/98/85/55/202988555.db2.gz ONRXKIIDJJPDRB-UHFFFAOYSA-N 0 0 281.297 1.370 20 5 CDBDRN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCOC1 ZINC000330625345 203052888 /nfs/dbraw/zinc/05/28/88/203052888.db2.gz HITLCPHRNXSHOT-NSHDSACASA-N 0 0 254.242 1.487 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000330618460 203045081 /nfs/dbraw/zinc/04/50/81/203045081.db2.gz HJWUDHVSFXIBBK-SFYZADRCSA-N 0 0 282.300 1.178 20 5 CDBDRN NC(=O)CC1(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420607635 244278466 /nfs/dbraw/zinc/27/84/66/244278466.db2.gz DXVPZEBSCYXRNE-UHFFFAOYSA-N 0 0 267.260 1.801 20 5 CDBDRN CON1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000420637562 244303335 /nfs/dbraw/zinc/30/33/35/244303335.db2.gz OZKHIMXTFKNDSO-UHFFFAOYSA-N 0 0 266.301 1.736 20 5 CDBDRN CCCN1C[C@H](CNc2ncc(C)cc2[N+](=O)[O-])CC1=O ZINC000420655949 244314197 /nfs/dbraw/zinc/31/41/97/244314197.db2.gz SQEFFVMVORNEPS-NSHDSACASA-N 0 0 292.339 1.969 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCc2nnnn2CC1 ZINC000420635428 244301519 /nfs/dbraw/zinc/30/15/19/244301519.db2.gz FFKRJYFKORRVDP-VIFPVBQESA-N 0 0 292.274 1.537 20 5 CDBDRN COc1ccc(NC(=O)[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000330828742 203286856 /nfs/dbraw/zinc/28/68/56/203286856.db2.gz GMLMUAGTKNOEKJ-CYBMUJFWSA-N 0 0 280.280 1.969 20 5 CDBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC(C)C ZINC000330839835 203299241 /nfs/dbraw/zinc/29/92/41/203299241.db2.gz SHBCSBKTRVSPEY-SECBINFHSA-N 0 0 283.332 1.352 20 5 CDBDRN CC[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330868325 203331922 /nfs/dbraw/zinc/33/19/22/203331922.db2.gz WCVKAZAGBSIPKD-CYBMUJFWSA-N 0 0 278.312 1.834 20 5 CDBDRN COc1cc(N[C@H](C)C[S@](C)=O)c(F)cc1[N+](=O)[O-] ZINC000230101804 189805229 /nfs/dbraw/zinc/80/52/29/189805229.db2.gz BDLDOGNQZBQUST-XJZHNMMOSA-N 0 0 290.316 1.921 20 5 CDBDRN O=C(CC1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276338665 193292321 /nfs/dbraw/zinc/29/23/21/193292321.db2.gz MAXGMCUGGTUASJ-UHFFFAOYSA-N 0 0 276.292 1.985 20 5 CDBDRN CC(C)(C)OC(=O)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000352105188 369612839 /nfs/dbraw/zinc/61/28/39/369612839.db2.gz FZCVHTLEESWSOG-UHFFFAOYSA-N 0 0 283.284 1.385 20 5 CDBDRN CC1(C)C[S@](=O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000330967135 203426707 /nfs/dbraw/zinc/42/67/07/203426707.db2.gz AGRSYJWQSKABPJ-LJQANCHMSA-N 0 0 282.365 1.938 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[nH]n2)n1 ZINC000129841479 369687321 /nfs/dbraw/zinc/68/73/21/369687321.db2.gz NIUSNIWITWWQIT-ZETCQYMHSA-N 0 0 277.288 1.051 20 5 CDBDRN CC(C)(CCC(=O)NC[C@H](O)c1cccc(F)c1)[N+](=O)[O-] ZINC000295252845 369748256 /nfs/dbraw/zinc/74/82/56/369748256.db2.gz MVQYIPQDZHLKRI-LBPRGKRZSA-N 0 0 298.314 1.811 20 5 CDBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000276540232 193374114 /nfs/dbraw/zinc/37/41/14/193374114.db2.gz FENBTSWZRYHJNZ-RKDXNWHRSA-N 0 0 295.295 1.194 20 5 CDBDRN CCN(CC(C)(C)O)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000081972922 370008360 /nfs/dbraw/zinc/00/83/60/370008360.db2.gz YFGOUTYVPVABHD-UHFFFAOYSA-N 0 0 299.302 1.549 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCCOC1 ZINC000352108766 370124991 /nfs/dbraw/zinc/12/49/91/370124991.db2.gz ZLDURBSINJSBCT-BDAKNGLRSA-N 0 0 294.311 1.117 20 5 CDBDRN CC(C)(CCC(=O)NC[C@H](O)Cc1ccccc1)[N+](=O)[O-] ZINC000295395921 370163399 /nfs/dbraw/zinc/16/33/99/370163399.db2.gz YYICTZRPMLXXIE-CYBMUJFWSA-N 0 0 294.351 1.542 20 5 CDBDRN Cc1nccn1CCCN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295422800 370211861 /nfs/dbraw/zinc/21/18/61/370211861.db2.gz MAIUSQPJMCZKDU-UHFFFAOYSA-N 0 0 296.371 1.876 20 5 CDBDRN CCN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H](C)c1cccnc1 ZINC000301259468 370214796 /nfs/dbraw/zinc/21/47/96/370214796.db2.gz FCIGVQYPTKSVTE-VIFPVBQESA-N 0 0 288.311 1.950 20 5 CDBDRN COc1ccc(C(=O)NC[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000295425524 370247376 /nfs/dbraw/zinc/24/73/76/370247376.db2.gz MKSCILBBJXZHKY-JTQLQIEISA-N 0 0 296.323 1.742 20 5 CDBDRN CCC[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)OC ZINC000295440173 370263914 /nfs/dbraw/zinc/26/39/14/370263914.db2.gz ODVYNHVAJOHTQE-ZDUSSCGKSA-N 0 0 296.323 1.905 20 5 CDBDRN COc1cc(N2CCC(CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000266134499 370333195 /nfs/dbraw/zinc/33/31/95/370333195.db2.gz PDFWQHBKEQAOSA-UHFFFAOYSA-N 0 0 293.323 1.695 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C1COC1 ZINC000277139062 193565604 /nfs/dbraw/zinc/56/56/04/193565604.db2.gz ZVLOISGCLGMSIJ-UHFFFAOYSA-N 0 0 273.266 1.011 20 5 CDBDRN CC(C)(CCC(=O)N1CC(O)(c2ccccc2)C1)[N+](=O)[O-] ZINC000295491744 370402495 /nfs/dbraw/zinc/40/24/95/370402495.db2.gz AYWXCMXSOOAIET-UHFFFAOYSA-N 0 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CCc1[nH]nc(C(=O)OCc2nc(C)c(C)o2)c1[N+](=O)[O-] ZINC000790076569 723773288 /nfs/dbraw/zinc/77/32/88/723773288.db2.gz GXPKLPGBASRLLA-UHFFFAOYSA-N 0 0 294.267 1.842 20 5 CDBDRN Nc1ccc(C(=O)OCCCCCO)cc1[N+](=O)[O-] ZINC000787974562 723782684 /nfs/dbraw/zinc/78/26/84/723782684.db2.gz QQKGOVBDXTYGKJ-UHFFFAOYSA-N 0 0 268.269 1.496 20 5 CDBDRN C[C@@H](CO)Sc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804526832 723782810 /nfs/dbraw/zinc/78/28/10/723782810.db2.gz LTCRSMMUVSIUPQ-LURJTMIESA-N 0 0 258.255 1.976 20 5 CDBDRN CC(C)[C@@H](NCc1cccnc1[N+](=O)[O-])c1nncn1C ZINC000886201877 723789801 /nfs/dbraw/zinc/78/98/01/723789801.db2.gz VCFGWPKHLDPUEG-LLVKDONJSA-N 0 0 290.327 1.605 20 5 CDBDRN CC(=O)NC[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001046669355 723793358 /nfs/dbraw/zinc/79/33/58/723793358.db2.gz QEDIVUPYYQIFQO-MGCOHNPYSA-N 0 0 264.285 1.316 20 5 CDBDRN COC[C@@H](C)OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000091443649 723834266 /nfs/dbraw/zinc/83/42/66/723834266.db2.gz OJJRNVHHXHWQOJ-SNVBAGLBSA-N 0 0 282.296 1.609 20 5 CDBDRN O=C1[C@@H]2CC[C@@H]2C(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000883066088 723829578 /nfs/dbraw/zinc/82/95/78/723829578.db2.gz KCKOFZHWPZZDAC-TXEJJXNPSA-N 0 0 274.276 1.532 20 5 CDBDRN COC1CC(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859845282 723809356 /nfs/dbraw/zinc/80/93/56/723809356.db2.gz VHTIPQQHGXUYIO-UHFFFAOYSA-N 0 0 293.275 1.746 20 5 CDBDRN O=C(NC1(C(F)(F)F)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840368686 723814235 /nfs/dbraw/zinc/81/42/35/723814235.db2.gz JDIAQOLHIXNAJY-PHDIDXHHSA-N 0 0 252.192 1.253 20 5 CDBDRN O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839503437 723816893 /nfs/dbraw/zinc/81/68/93/723816893.db2.gz QQWBSZLIGCIJPN-GMTAPVOTSA-N 0 0 284.699 1.155 20 5 CDBDRN CS[C@H](C)CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000835668712 723781334 /nfs/dbraw/zinc/78/13/34/723781334.db2.gz PFXJIPGLXVJCNW-SECBINFHSA-N 0 0 287.341 1.866 20 5 CDBDRN COC[C@H]1CCCN1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000862600951 723852734 /nfs/dbraw/zinc/85/27/34/723852734.db2.gz DVIGOEWXMIHFGZ-GFCCVEGCSA-N 0 0 293.323 1.659 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](O)C1 ZINC000824749418 723858310 /nfs/dbraw/zinc/85/83/10/723858310.db2.gz ZACXYKYJKLMICF-MGCOHNPYSA-N 0 0 264.281 1.465 20 5 CDBDRN C[C@@H](O)C[C@H](C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968434 723858666 /nfs/dbraw/zinc/85/86/66/723858666.db2.gz RSQZOLMHXRGXLI-JGVFFNPUSA-N 0 0 282.300 1.458 20 5 CDBDRN Nc1ccc(NC(=O)NC[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000823933360 723862851 /nfs/dbraw/zinc/86/28/51/723862851.db2.gz PNSKNVINRGWTEO-LBPRGKRZSA-N 0 0 294.311 1.460 20 5 CDBDRN CC(C)C1(O)CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000089663370 723893481 /nfs/dbraw/zinc/89/34/81/723893481.db2.gz GVVMJNMQJMHRBH-UHFFFAOYSA-N 0 0 294.307 1.203 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1nonc1C ZINC000795103991 723872402 /nfs/dbraw/zinc/87/24/02/723872402.db2.gz ZWBSJBCEZAIZGY-UHFFFAOYSA-N 0 0 266.261 1.423 20 5 CDBDRN CC[C@@H](O)CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000855743572 723872460 /nfs/dbraw/zinc/87/24/60/723872460.db2.gz LLBZWPFJJWJRHX-SECBINFHSA-N 0 0 270.260 1.543 20 5 CDBDRN O=C(NCCCc1c[nH]c2ccccc12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839664453 723879188 /nfs/dbraw/zinc/87/91/88/723879188.db2.gz APWWYUUKZSNEFN-TZMCWYRMSA-N 0 0 287.319 1.882 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CC(N)=O ZINC000804499635 723899554 /nfs/dbraw/zinc/89/95/54/723899554.db2.gz GACGCDDNFSBFJR-ZETCQYMHSA-N 0 0 265.269 1.473 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1N1C[C@@H]2C[C@]2(O)C1 ZINC000882933971 723890181 /nfs/dbraw/zinc/89/01/81/723890181.db2.gz UPWRCQXUKJDHSB-KGFZYKRKSA-N 0 0 272.663 1.958 20 5 CDBDRN CC(C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000092394533 723911542 /nfs/dbraw/zinc/91/15/42/723911542.db2.gz IEPQAOBGQPFXLW-LLVKDONJSA-N 0 0 270.260 1.481 20 5 CDBDRN CCCC(=O)N1CCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125223 723915924 /nfs/dbraw/zinc/91/59/24/723915924.db2.gz BZHOJMRYADPKHB-SNVBAGLBSA-N 0 0 286.328 1.376 20 5 CDBDRN Cc1nn(C)c(C(=O)OC[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000793436879 724011843 /nfs/dbraw/zinc/01/18/43/724011843.db2.gz ONUWEHGYPLDHAT-IUCAKERBSA-N 0 0 283.284 1.219 20 5 CDBDRN COc1ccc(OC(=O)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000792590700 724015494 /nfs/dbraw/zinc/01/54/94/724015494.db2.gz ROKKWKLFWAQZFQ-UHFFFAOYSA-N 0 0 277.236 1.556 20 5 CDBDRN Cn1cccc1[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839695741 724022676 /nfs/dbraw/zinc/02/26/76/724022676.db2.gz LODLDZNANCVPNV-RAIGVLPGSA-N 0 0 277.324 1.744 20 5 CDBDRN C[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000823955827 724029605 /nfs/dbraw/zinc/02/96/05/724029605.db2.gz KKRIQLNCOUUJPK-UFBFGSQYSA-N 0 0 294.311 1.412 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCN(C)OC ZINC000853739507 724060286 /nfs/dbraw/zinc/06/02/86/724060286.db2.gz DXAXSEJDLYQXQZ-UHFFFAOYSA-N 0 0 257.294 1.025 20 5 CDBDRN CO[C@H](C)[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830763705 724060854 /nfs/dbraw/zinc/06/08/54/724060854.db2.gz JZFYJLAFQFQQRI-YGOYTEALSA-N 0 0 282.296 1.168 20 5 CDBDRN CC[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C(=O)OC ZINC000836119182 724053290 /nfs/dbraw/zinc/05/32/90/724053290.db2.gz PDPPJJCCGMDLSC-UWVGGRQHSA-N 0 0 289.328 1.953 20 5 CDBDRN Nc1ccc(C(=O)N2CC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000711482577 724056723 /nfs/dbraw/zinc/05/67/23/724056723.db2.gz CLFPIGPYGRDZBP-MRVPVSSYSA-N 0 0 267.260 1.609 20 5 CDBDRN Cc1cnc2n1CC[C@H]2OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000893519899 724058357 /nfs/dbraw/zinc/05/83/57/724058357.db2.gz SFNRPNSIJVDWMO-LLVKDONJSA-N 0 0 290.279 1.740 20 5 CDBDRN CC1(C)CNC(=O)[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000931651069 724073925 /nfs/dbraw/zinc/07/39/25/724073925.db2.gz DSCWMPJIBSBMST-LLVKDONJSA-N 0 0 281.287 1.348 20 5 CDBDRN CC(=O)Oc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000119633866 724074117 /nfs/dbraw/zinc/07/41/17/724074117.db2.gz IYNQXVIEITVFJX-UHFFFAOYSA-N 0 0 262.225 1.160 20 5 CDBDRN COc1cc(C(=O)NO[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000836896410 724076539 /nfs/dbraw/zinc/07/65/39/724076539.db2.gz JDHXHMVFCBOIMP-GFCCVEGCSA-N 0 0 298.295 1.282 20 5 CDBDRN O=C(NC1(CO)CCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122813830 724077617 /nfs/dbraw/zinc/07/76/17/724077617.db2.gz PMXDTBUEGANVBL-UHFFFAOYSA-N 0 0 284.699 1.893 20 5 CDBDRN CC(C)=CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830935578 724086031 /nfs/dbraw/zinc/08/60/31/724086031.db2.gz LOCDALNZLZGATC-GFCCVEGCSA-N 0 0 264.281 1.711 20 5 CDBDRN Cn1c(C(=O)OCc2cnns2)ccc1[N+](=O)[O-] ZINC000779246738 724109780 /nfs/dbraw/zinc/10/97/80/724109780.db2.gz SNDZFPDEALTSIA-UHFFFAOYSA-N 0 0 268.254 1.142 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cnc(Cl)cn1 ZINC000192694087 724228598 /nfs/dbraw/zinc/22/85/98/724228598.db2.gz XQZSOBGPHSIRBD-UHFFFAOYSA-N 0 0 292.682 1.968 20 5 CDBDRN Cc1noc2ncc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc12 ZINC000839689168 724248087 /nfs/dbraw/zinc/24/80/87/724248087.db2.gz KSAFJWNWILTRPC-RKDXNWHRSA-N 0 0 262.225 1.135 20 5 CDBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000839685845 724279384 /nfs/dbraw/zinc/27/93/84/724279384.db2.gz ZCHIHMOUVSJTNH-MGPQQGTHSA-N 0 0 274.320 1.668 20 5 CDBDRN Cn1nncc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000798495027 724294699 /nfs/dbraw/zinc/29/46/99/724294699.db2.gz XDTRAYMBYACICO-UHFFFAOYSA-N 0 0 296.670 1.734 20 5 CDBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000839717836 724323952 /nfs/dbraw/zinc/32/39/52/724323952.db2.gz WGTMGEOTAUGDDV-FZVWWSIASA-N 0 0 282.271 1.029 20 5 CDBDRN CCc1[nH]nc(C(=O)OCC[C@@H](C)C(C)=O)c1[N+](=O)[O-] ZINC000849762997 724327855 /nfs/dbraw/zinc/32/78/55/724327855.db2.gz VVCGKHUHYJAHTM-SSDOTTSWSA-N 0 0 283.284 1.652 20 5 CDBDRN Cc1nn(CN2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000794672149 724333735 /nfs/dbraw/zinc/33/37/35/724333735.db2.gz KCNRETRHQOSBSA-LBPRGKRZSA-N 0 0 268.317 1.294 20 5 CDBDRN CCc1nnc(COC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])o1 ZINC000790073436 724334160 /nfs/dbraw/zinc/33/41/60/724334160.db2.gz KSFDNEOOFZEMPM-UHFFFAOYSA-N 0 0 295.255 1.183 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCO2)c1 ZINC000067893613 724339257 /nfs/dbraw/zinc/33/92/57/724339257.db2.gz OTXUSALHIYMAAD-SNVBAGLBSA-N 0 0 281.264 1.939 20 5 CDBDRN Cn1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000808013350 724340575 /nfs/dbraw/zinc/34/05/75/724340575.db2.gz YTLUNMXXWVWJQO-UHFFFAOYSA-N 0 0 281.659 1.629 20 5 CDBDRN COCCN(c1ncccc1[N+](=O)[O-])C1CCOCC1 ZINC000866263309 724360012 /nfs/dbraw/zinc/36/00/12/724360012.db2.gz BCYNTGHIOFIWTB-UHFFFAOYSA-N 0 0 281.312 1.622 20 5 CDBDRN Cn1c(C(=O)OCCO[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000791640214 724366352 /nfs/dbraw/zinc/36/63/52/724366352.db2.gz STJYXWSIUIAASK-GFCCVEGCSA-N 0 0 298.295 1.633 20 5 CDBDRN CN(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000849342075 724372387 /nfs/dbraw/zinc/37/23/87/724372387.db2.gz OSQFXIVIKFCEHX-UHFFFAOYSA-N 0 0 278.224 1.440 20 5 CDBDRN O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])o1 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COC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935170976 618043479 /nfs/dbraw/zinc/04/34/79/618043479.db2.gz PTSQCMRLDIWHNA-QWHCGFSZSA-N 0 0 290.319 1.946 20 5 CDBDRN CN(Cc1cccc(O)c1)c1c([N+](=O)[O-])cnn1C ZINC000893018649 618061033 /nfs/dbraw/zinc/06/10/33/618061033.db2.gz LJGVEOLXHBUNLR-UHFFFAOYSA-N 0 0 262.269 1.670 20 5 CDBDRN C[C@@H](COC(=O)c1n[nH]c2c1C[C@H](C)CC2)[N+](=O)[O-] ZINC000893047202 618098583 /nfs/dbraw/zinc/09/85/83/618098583.db2.gz JTLYHGWVHJKFEL-SFYZADRCSA-N 0 0 267.285 1.357 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](C2CC2)C1 ZINC000893881328 618133597 /nfs/dbraw/zinc/13/35/97/618133597.db2.gz BTRFTDJIJRTGAI-JTQLQIEISA-N 0 0 250.302 1.955 20 5 CDBDRN CC[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000892461572 618225716 /nfs/dbraw/zinc/22/57/16/618225716.db2.gz HUFKQFSAVFZVHS-RKDXNWHRSA-N 0 0 254.290 1.332 20 5 CDBDRN CN(CCO)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778233515 618359047 /nfs/dbraw/zinc/35/90/47/618359047.db2.gz MDDNLLCJOQQFPX-UHFFFAOYSA-N 0 0 274.223 1.137 20 5 CDBDRN CCc1nc(CNc2c([N+](=O)[O-])cnn2C)co1 ZINC000894097935 618393719 /nfs/dbraw/zinc/39/37/19/618393719.db2.gz LIMIAMYUVSMGLA-UHFFFAOYSA-N 0 0 251.246 1.491 20 5 CDBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840672323 618484009 /nfs/dbraw/zinc/48/40/09/618484009.db2.gz IPFMEONKOKJPQU-YUSALJHKSA-N 0 0 292.291 1.530 20 5 CDBDRN O=C1C[C@@H](COc2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000902119700 618598278 /nfs/dbraw/zinc/59/82/78/618598278.db2.gz QFOQFZLJNAOCLG-SSDOTTSWSA-N 0 0 270.672 1.763 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCC(C)(C)OCC1CC1 ZINC000894197491 618685563 /nfs/dbraw/zinc/68/55/63/618685563.db2.gz KGIILAUSSNGTKG-UHFFFAOYSA-N 0 0 268.317 1.945 20 5 CDBDRN CCNC(=O)CNc1cc([N+](=O)[O-])ccc1NC ZINC000843299332 618701593 /nfs/dbraw/zinc/70/15/93/618701593.db2.gz ZBEJNMLTFGVDOZ-UHFFFAOYSA-N 0 0 252.274 1.185 20 5 CDBDRN CCc1noc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000843317992 618705172 /nfs/dbraw/zinc/70/51/72/618705172.db2.gz DNZQRRKWZAIIHQ-UHFFFAOYSA-N 0 0 276.252 1.470 20 5 CDBDRN CCOC(=O)CN(CC[N+](=O)[O-])Cc1ccccc1 ZINC000791052913 618739278 /nfs/dbraw/zinc/73/92/78/618739278.db2.gz PHARFKLUGQBOPE-UHFFFAOYSA-N 0 0 266.297 1.328 20 5 CDBDRN C[C@@H]1CN(CC[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000791053600 618743100 /nfs/dbraw/zinc/74/31/00/618743100.db2.gz UOOTVFDADPTHSR-KOLCDFICSA-N 0 0 256.327 1.787 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N(C)Cc1nnc(C)s1 ZINC000894638194 619000038 /nfs/dbraw/zinc/00/00/38/619000038.db2.gz DQVBKOYSIYLUGV-UHFFFAOYSA-N 0 0 295.324 1.795 20 5 CDBDRN CC[C@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000894937758 619155687 /nfs/dbraw/zinc/15/56/87/619155687.db2.gz TYXFTRQWHXBRFC-ZDUSSCGKSA-N 0 0 281.312 1.740 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NN2CCOCC2)c1C ZINC000895566355 619736967 /nfs/dbraw/zinc/73/69/67/619736967.db2.gz FQPHIIWVSLXDJD-UHFFFAOYSA-N 0 0 279.296 1.189 20 5 CDBDRN C[C@H]1C(=O)CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000896335107 620060222 /nfs/dbraw/zinc/06/02/22/620060222.db2.gz FNRDNNOHIMXWEU-VIFPVBQESA-N 0 0 274.280 1.800 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1NCCO[C@H]1CCOC1 ZINC000896478951 620112597 /nfs/dbraw/zinc/11/25/97/620112597.db2.gz GRPBKVXZKSQLBO-ZDUSSCGKSA-N 0 0 296.323 1.959 20 5 CDBDRN CCOCCOCCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000896484421 620114765 /nfs/dbraw/zinc/11/47/65/620114765.db2.gz FHBKXUZWBULMKE-UHFFFAOYSA-N 0 0 286.332 1.356 20 5 CDBDRN Cc1cc(N2CC(N3CCCC3=O)C2)ncc1[N+](=O)[O-] ZINC000897051102 620364335 /nfs/dbraw/zinc/36/43/35/620364335.db2.gz ZMHRBHNUYPUVDH-UHFFFAOYSA-N 0 0 276.296 1.109 20 5 CDBDRN CC1=NO[C@@](C)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000902799508 625423936 /nfs/dbraw/zinc/42/39/36/625423936.db2.gz KXSIFNZFJZWTTB-CQSZACIVSA-N 0 0 291.307 1.808 20 5 CDBDRN C[C@H](Cc1cccnc1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000889670975 620854645 /nfs/dbraw/zinc/85/46/45/620854645.db2.gz ACCIVHASLBVHQX-LLVKDONJSA-N 0 0 279.340 1.964 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccn(C)n1 ZINC000785677993 620941054 /nfs/dbraw/zinc/94/10/54/620941054.db2.gz JFPNCJUGVXEPOA-UHFFFAOYSA-N 0 0 291.263 1.694 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC=C(Cl)C1 ZINC000898191135 621386420 /nfs/dbraw/zinc/38/64/20/621386420.db2.gz DVQHFQXWWSKFHW-UHFFFAOYSA-N 0 0 270.676 1.146 20 5 CDBDRN CC(C)(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCOCC1 ZINC000787803656 621591343 /nfs/dbraw/zinc/59/13/43/621591343.db2.gz MLVUFZMYMVUWLB-UHFFFAOYSA-N 0 0 281.312 1.858 20 5 CDBDRN CN1CC(=O)N[C@H]1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899370812 622218288 /nfs/dbraw/zinc/21/82/88/622218288.db2.gz BGQCNJKZOUXMCY-SNVBAGLBSA-N 0 0 255.661 1.308 20 5 CDBDRN COc1ccc(-c2nc(SCC[N+](=O)[O-])n[nH]2)cc1 ZINC000899861633 622487290 /nfs/dbraw/zinc/48/72/90/622487290.db2.gz JKPKFGNHWQRCBX-UHFFFAOYSA-N 0 0 280.309 1.849 20 5 CDBDRN O=[N+]([O-])CCn1cnnc1[C@H](O)C1CCCCC1 ZINC000899891232 622504294 /nfs/dbraw/zinc/50/42/94/622504294.db2.gz HZMVNMPRQWXPFP-SNVBAGLBSA-N 0 0 254.290 1.169 20 5 CDBDRN Cc1ccc(-c2nn(CC[N+](=O)[O-])c(=O)cc2C)cc1 ZINC000899885248 622507093 /nfs/dbraw/zinc/50/70/93/622507093.db2.gz JXTRINSTIZADMQ-UHFFFAOYSA-N 0 0 273.292 1.804 20 5 CDBDRN C=CC(=O)N(CC)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000900287027 622854747 /nfs/dbraw/zinc/85/47/47/622854747.db2.gz DKMQWQSKLWOSCQ-UHFFFAOYSA-N 0 0 291.307 1.246 20 5 CDBDRN C[C@H](CC[S@@](C)=O)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000900879055 623599530 /nfs/dbraw/zinc/59/95/30/623599530.db2.gz DHHYRQJEVQJORN-DYBLOJMWSA-N 0 0 278.374 1.095 20 5 CDBDRN COc1ccc(Cn2cc(CO)c(C)n2)cc1[N+](=O)[O-] ZINC000902502981 624874841 /nfs/dbraw/zinc/87/48/41/624874841.db2.gz SGPHXPCENBNBEJ-UHFFFAOYSA-N 0 0 277.280 1.649 20 5 CDBDRN Cc1c(OC(=O)[C@H]2CCC(=O)N2C)cccc1[N+](=O)[O-] ZINC000902719888 625256459 /nfs/dbraw/zinc/25/64/59/625256459.db2.gz YEPJKRXIJWGRSR-SNVBAGLBSA-N 0 0 278.264 1.429 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=CCN1 ZINC000903488816 626010320 /nfs/dbraw/zinc/01/03/20/626010320.db2.gz YVZXYNRPSYOVSP-UHFFFAOYSA-N 0 0 290.323 1.608 20 5 CDBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000904004436 626177348 /nfs/dbraw/zinc/17/73/48/626177348.db2.gz RNTVPVZGUJQPQP-YUSALJHKSA-N 0 0 279.223 1.864 20 5 CDBDRN CN(C)CC(N)=NOCc1ccc([N+](=O)[O-])c(F)c1 ZINC000904436482 626293673 /nfs/dbraw/zinc/29/36/73/626293673.db2.gz BPBJJYUVRYSINL-UHFFFAOYSA-N 0 0 270.264 1.294 20 5 CDBDRN CN(C)CC(N)=NOCCc1ccc([N+](=O)[O-])cc1 ZINC000904437394 626293678 /nfs/dbraw/zinc/29/36/78/626293678.db2.gz KFWKGFWKKWZYFS-UHFFFAOYSA-N 0 0 266.301 1.197 20 5 CDBDRN COC(=O)N(C)Cc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905321671 626748097 /nfs/dbraw/zinc/74/80/97/626748097.db2.gz OQAZJIIYOKZHAW-UHFFFAOYSA-N 0 0 267.285 1.573 20 5 CDBDRN CN(C)C(=O)COC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910020556 628813631 /nfs/dbraw/zinc/81/36/31/628813631.db2.gz CMRZCOZGYAQNLJ-NWDGAFQWSA-N 0 0 292.291 1.330 20 5 CDBDRN COCCOC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910026997 628816766 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CCO[C@H]1C[C@@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000917304809 632191574 /nfs/dbraw/zinc/19/15/74/632191574.db2.gz OAIPYCYLTZPRED-GWCFXTLKSA-N 0 0 295.291 1.942 20 5 CDBDRN COC(=O)/C=C(\C)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000917320652 632197255 /nfs/dbraw/zinc/19/72/55/632197255.db2.gz IQZPIEPZCXSAGP-XVNBXDOJSA-N 0 0 286.671 1.529 20 5 CDBDRN CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918009317 632314876 /nfs/dbraw/zinc/31/48/76/632314876.db2.gz CQFXXPYKAFTUFI-UHFFFAOYSA-N 0 0 288.263 1.535 20 5 CDBDRN O=[N+]([O-])c1c(NCCn2cccn2)nc2ccccn21 ZINC000918185142 632339928 /nfs/dbraw/zinc/33/99/28/632339928.db2.gz ZBOVYOURJLHGEW-UHFFFAOYSA-N 0 0 272.268 1.551 20 5 CDBDRN CCCn1c(C)nnc1Cn1ccnc1[N+](=O)[O-] ZINC000918370669 632361837 /nfs/dbraw/zinc/36/18/37/632361837.db2.gz YEVYEQJYLQKHFS-UHFFFAOYSA-N 0 0 250.262 1.150 20 5 CDBDRN CC(C)c1nnc(Cn2ccnc2[N+](=O)[O-])s1 ZINC000918386053 632364779 /nfs/dbraw/zinc/36/47/79/632364779.db2.gz FAPLEZPQYCJKDV-UHFFFAOYSA-N 0 0 253.287 1.815 20 5 CDBDRN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(N)=O ZINC000919213164 632523318 /nfs/dbraw/zinc/52/33/18/632523318.db2.gz INBMIXSWUFLQMT-LURJTMIESA-N 0 0 278.220 1.372 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N=c1sccn1C ZINC000920927980 632856215 /nfs/dbraw/zinc/85/62/15/632856215.db2.gz LSOAVXFKSIOGDA-UHFFFAOYSA-N 0 0 295.324 1.017 20 5 CDBDRN CCS(=O)(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000921366391 632951427 /nfs/dbraw/zinc/95/14/27/632951427.db2.gz JYGVIRBCXQFDGE-MRVPVSSYSA-N 0 0 258.299 1.595 20 5 CDBDRN C[C@@H]1CC(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000921551206 633073916 /nfs/dbraw/zinc/07/39/16/633073916.db2.gz BATUQIBYPMFNEI-SECBINFHSA-N 0 0 298.320 1.337 20 5 CDBDRN Cc1c(NC(=O)N2CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000929223291 633083117 /nfs/dbraw/zinc/08/31/17/633083117.db2.gz UHTWUOOUBCFAMU-SECBINFHSA-N 0 0 265.269 1.502 20 5 CDBDRN C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(N)=O ZINC000736867174 633208257 /nfs/dbraw/zinc/20/82/57/633208257.db2.gz 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Cc1nc(N2CCN3C(=O)OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000494032085 393225867 /nfs/dbraw/zinc/22/58/67/393225867.db2.gz HOHIIKAUXUTUSP-SNVBAGLBSA-N 0 0 292.295 1.329 20 5 CDBDRN C[C@@H]1CCCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000302431910 393199360 /nfs/dbraw/zinc/19/93/60/393199360.db2.gz QAJSNANOKPJTQK-MRVPVSSYSA-N 0 0 251.290 1.593 20 5 CDBDRN Cc1nc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)n[nH]1 ZINC000488282172 393390086 /nfs/dbraw/zinc/39/00/86/393390086.db2.gz NPGCXWOCBOXSTL-UHFFFAOYSA-N 0 0 284.279 1.933 20 5 CDBDRN Cn1nnc(CSc2ccc([N+](=O)[O-])cc2F)n1 ZINC000193442932 393341502 /nfs/dbraw/zinc/34/15/02/393341502.db2.gz YQAINFFIMQDHFA-UHFFFAOYSA-N 0 0 269.261 1.550 20 5 CDBDRN C[C@@H]1CCNC(=O)[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000193520751 393366083 /nfs/dbraw/zinc/36/60/83/393366083.db2.gz AIWOJDMEPNZDTE-RDDDGLTNSA-N 0 0 267.260 1.670 20 5 CDBDRN Cc1cnc(N[C@@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000193535977 393367340 /nfs/dbraw/zinc/36/73/40/393367340.db2.gz ROCLMJAWUMGNRX-SCZZXKLOSA-N 0 0 264.285 1.235 20 5 CDBDRN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000064974639 139632582 /nfs/dbraw/zinc/63/25/82/139632582.db2.gz QUAORWCNVFFEPW-UHFFFAOYSA-N 0 0 292.339 1.828 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H]2C[C@H]21 ZINC000366111582 296500334 /nfs/dbraw/zinc/50/03/34/296500334.db2.gz MOWLSKDUDBEODO-APPZFPTMSA-N 0 0 255.661 1.621 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCS(=O)CC1 ZINC000153706630 296500340 /nfs/dbraw/zinc/50/03/40/296500340.db2.gz WYLICVBWHIPXMN-UHFFFAOYSA-N 0 0 275.717 1.212 20 5 CDBDRN CN(CC(=O)Nc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000173463653 139954120 /nfs/dbraw/zinc/95/41/20/139954120.db2.gz BLIAJLYDJDRQTC-UHFFFAOYSA-N 0 0 275.268 1.393 20 5 CDBDRN C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000186619244 140065453 /nfs/dbraw/zinc/06/54/53/140065453.db2.gz KCIQYFTYHIQPBG-GXFFZTMASA-N 0 0 293.323 1.236 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000192731793 140143747 /nfs/dbraw/zinc/14/37/47/140143747.db2.gz VLCLGQFYEAWBOW-VIFPVBQESA-N 0 0 277.280 1.429 20 5 CDBDRN CC(C)(C)C(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195421900 140155929 /nfs/dbraw/zinc/15/59/29/140155929.db2.gz LLARDMCXJCKTCY-UHFFFAOYSA-N 0 0 293.323 1.487 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@H](C)O ZINC000228170033 140191758 /nfs/dbraw/zinc/19/17/58/140191758.db2.gz DCHUXXIYJFQHGP-ZJUUUORDSA-N 0 0 266.297 1.792 20 5 CDBDRN Cc1cnc(N[C@H](C)C(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC000229197148 140199960 /nfs/dbraw/zinc/19/99/60/140199960.db2.gz FETJBRBPLOCIJL-SECBINFHSA-N 0 0 266.301 1.623 20 5 CDBDRN NC(=O)c1ccc(N[C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000230307140 140210650 /nfs/dbraw/zinc/21/06/50/140210650.db2.gz NQUHQOPLNPISRJ-AAEUAGOBSA-N 0 0 291.307 1.673 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCCc2ccn(C)n2)c1 ZINC000230877426 140213543 /nfs/dbraw/zinc/21/35/43/140213543.db2.gz ASGOGDUIJPORIJ-UHFFFAOYSA-N 0 0 276.296 1.992 20 5 CDBDRN Cc1c(CN2C(=O)CN(C3CC3)C2=O)cccc1[N+](=O)[O-] ZINC000261374205 140343069 /nfs/dbraw/zinc/34/30/69/140343069.db2.gz SDENSWUJBPBGRM-UHFFFAOYSA-N 0 0 289.291 1.830 20 5 CDBDRN CO[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1OC ZINC000277495576 285776874 /nfs/dbraw/zinc/77/68/74/285776874.db2.gz USRUAMBCBQCGFP-OCAPTIKFSA-N 0 0 298.324 1.154 20 5 CDBDRN C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548079019 397707468 /nfs/dbraw/zinc/70/74/68/397707468.db2.gz CCOLSEPZVOKLHB-IONNQARKSA-N 0 0 252.274 1.626 20 5 CDBDRN COCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000361241838 397963913 /nfs/dbraw/zinc/96/39/13/397963913.db2.gz COTDJGFQUXDOPB-UWVGGRQHSA-N 0 0 296.327 1.595 20 5 CDBDRN COCCc1noc(COc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000103350326 147173988 /nfs/dbraw/zinc/17/39/88/147173988.db2.gz ZNSNNIONKDOVTC-UHFFFAOYSA-N 0 0 297.242 1.885 20 5 CDBDRN COC(=O)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000103482442 147180462 /nfs/dbraw/zinc/18/04/62/147180462.db2.gz JUFWAAVSZKIXSJ-GFCCVEGCSA-N 0 0 298.270 1.108 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@H]1C ZINC000104620244 147198962 /nfs/dbraw/zinc/19/89/62/147198962.db2.gz GBWLTYYZLKJVCA-KOLCDFICSA-N 0 0 280.328 1.795 20 5 CDBDRN Cc1c(NC(=O)c2nccnc2N)cccc1[N+](=O)[O-] ZINC000114675456 147256647 /nfs/dbraw/zinc/25/66/47/147256647.db2.gz DXIANAYHBFZBHE-UHFFFAOYSA-N 0 0 273.252 1.528 20 5 CDBDRN CNC(=O)[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117624388 147284276 /nfs/dbraw/zinc/28/42/76/147284276.db2.gz VKMVNEOVQAQGFR-SSDOTTSWSA-N 0 0 299.714 1.041 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCS(=O)CC2)c(Cl)c1 ZINC000182162492 148244633 /nfs/dbraw/zinc/24/46/33/148244633.db2.gz OLQYEARFFOZPDH-UHFFFAOYSA-N 0 0 288.756 1.813 20 5 CDBDRN CC[C@](C)(CCO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000182778000 148265941 /nfs/dbraw/zinc/26/59/41/148265941.db2.gz UPZZPIUBFDYTCW-CYBMUJFWSA-N 0 0 281.312 1.458 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(O)c(Cl)c1 ZINC000182865778 148271039 /nfs/dbraw/zinc/27/10/39/148271039.db2.gz RUTYMVXHDCOMID-UHFFFAOYSA-N 0 0 296.670 1.789 20 5 CDBDRN CC[C@@](C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000183343063 148296770 /nfs/dbraw/zinc/29/67/70/148296770.db2.gz DHYHHWFIRBKVKZ-LBPRGKRZSA-N 0 0 267.285 1.068 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1c[nH]c2ccccc12 ZINC000184413571 148349635 /nfs/dbraw/zinc/34/96/35/148349635.db2.gz ZNNKNVBAXUGDRS-UHFFFAOYSA-N 0 0 299.290 1.991 20 5 CDBDRN CCCC[C@@H](COC)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184699204 148365670 /nfs/dbraw/zinc/36/56/70/148365670.db2.gz UVTNPOIDZIJHJV-VIFPVBQESA-N 0 0 296.327 1.507 20 5 CDBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCCC1=O ZINC000190331216 148432022 /nfs/dbraw/zinc/43/20/22/148432022.db2.gz JUICXUNEXFCGRN-VIFPVBQESA-N 0 0 295.295 1.319 20 5 CDBDRN COc1cc(O)cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000352464101 155202954 /nfs/dbraw/zinc/20/29/54/155202954.db2.gz OUBMJCHUIBZDNS-UHFFFAOYSA-N 0 0 292.251 1.593 20 5 CDBDRN CO[C@H]1CN(c2cc([N+](=O)[O-])ccc2C(C)=O)C[C@@H]1OC ZINC000340860864 286074495 /nfs/dbraw/zinc/07/44/95/286074495.db2.gz CVVXDEAGPPXOKE-KBPBESRZSA-N 0 0 294.307 1.647 20 5 CDBDRN CC1(C)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000311511336 149215511 /nfs/dbraw/zinc/21/55/11/149215511.db2.gz HHPKJVVPLXAGRT-SECBINFHSA-N 0 0 264.285 1.490 20 5 CDBDRN COC(=O)[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000314634237 149255063 /nfs/dbraw/zinc/25/50/63/149255063.db2.gz FNWBHBFQXPQBRL-GFCCVEGCSA-N 0 0 298.270 1.421 20 5 CDBDRN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000315024062 149257170 /nfs/dbraw/zinc/25/71/70/149257170.db2.gz VJHAXGFFNDIKBW-JTQLQIEISA-N 0 0 295.339 1.759 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC(F)(F)C(F)(F)C1 ZINC000334553193 149673937 /nfs/dbraw/zinc/67/39/37/149673937.db2.gz KFLHPIWDCDRZPT-UHFFFAOYSA-N 0 0 281.165 1.649 20 5 CDBDRN CCCNC(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000352543520 155260667 /nfs/dbraw/zinc/26/06/67/155260667.db2.gz GEQQYIYDIXLMMO-GFCCVEGCSA-N 0 0 293.367 1.984 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCC[C@@H]1O ZINC000341807939 286249067 /nfs/dbraw/zinc/24/90/67/286249067.db2.gz QZRYHCAHMWEHSL-NEPJUHHUSA-N 0 0 294.307 1.589 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C=C[C@@H](CO)C1 ZINC000341903397 151802220 /nfs/dbraw/zinc/80/22/20/151802220.db2.gz BWWOINAQSLXYFX-MNOVXSKESA-N 0 0 292.291 1.027 20 5 CDBDRN CCN(CC(C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343177767 152059810 /nfs/dbraw/zinc/05/98/10/152059810.db2.gz MTVQFOJCINADGU-UHFFFAOYSA-N 0 0 281.312 1.261 20 5 CDBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cn1cccn1 ZINC000343195545 152064740 /nfs/dbraw/zinc/06/47/40/152064740.db2.gz ZEHUJLZDABWGGT-VIFPVBQESA-N 0 0 277.284 1.186 20 5 CDBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cn1cccn1 ZINC000343204295 152066989 /nfs/dbraw/zinc/06/69/89/152066989.db2.gz FDRCGGRSVMGLRK-SECBINFHSA-N 0 0 277.284 1.186 20 5 CDBDRN Cc1cc(C(=O)NCc2nccn2C)ccc1[N+](=O)[O-] ZINC000343285911 152103595 /nfs/dbraw/zinc/10/35/95/152103595.db2.gz LIOZAXAINDLGPY-UHFFFAOYSA-N 0 0 274.280 1.567 20 5 CDBDRN COc1ccc(C(=O)Nc2cnc(C)nc2)cc1[N+](=O)[O-] ZINC000343323966 152121149 /nfs/dbraw/zinc/12/11/49/152121149.db2.gz VRUAGVVFDPLGIA-UHFFFAOYSA-N 0 0 288.263 1.954 20 5 CDBDRN Cn1c(C(=O)Nc2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000343446894 152179890 /nfs/dbraw/zinc/17/98/90/152179890.db2.gz HHSHHPVRJMPWBQ-UHFFFAOYSA-N 0 0 286.251 1.228 20 5 CDBDRN CC(C)(C(=O)N[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000343498310 152203697 /nfs/dbraw/zinc/20/36/97/152203697.db2.gz LOESPYYHMFPPDK-JTQLQIEISA-N 0 0 278.308 1.778 20 5 CDBDRN Cc1ccoc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000343604731 152240864 /nfs/dbraw/zinc/24/08/64/152240864.db2.gz LKSXPXQCMXXMTK-UHFFFAOYSA-N 0 0 277.236 1.527 20 5 CDBDRN COCc1ncc(C(=O)Nc2c([N+](=O)[O-])cnn2C)s1 ZINC000343748559 152289681 /nfs/dbraw/zinc/28/96/81/152289681.db2.gz KZQCNMDDPMETHP-UHFFFAOYSA-N 0 0 297.296 1.184 20 5 CDBDRN CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000343872393 152334407 /nfs/dbraw/zinc/33/44/07/152334407.db2.gz MKKMICYATJAOQX-UHFFFAOYSA-N 0 0 298.295 1.992 20 5 CDBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccccc1 ZINC000344162543 152442135 /nfs/dbraw/zinc/44/21/35/152442135.db2.gz AEELDOOOPKKVCZ-UHFFFAOYSA-N 0 0 287.275 1.073 20 5 CDBDRN COCC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342126961 292267611 /nfs/dbraw/zinc/26/76/11/292267611.db2.gz LLXDBBCEOVELAR-UHFFFAOYSA-N 0 0 293.323 1.557 20 5 CDBDRN C[C@H](C1CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000345518958 152861982 /nfs/dbraw/zinc/86/19/82/152861982.db2.gz DZBNGCULNQUJBV-MRVPVSSYSA-N 0 0 252.274 1.048 20 5 CDBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1C(F)F ZINC000345854724 152977866 /nfs/dbraw/zinc/97/78/66/152977866.db2.gz XRTYLOGPJZLVJN-IONNQARKSA-N 0 0 285.250 1.777 20 5 CDBDRN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000345970715 153013045 /nfs/dbraw/zinc/01/30/45/153013045.db2.gz COXJYJWULAKIAP-ZCFIWIBFSA-N 0 0 294.233 1.593 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccn(C)c1 ZINC000346599114 153240164 /nfs/dbraw/zinc/24/01/64/153240164.db2.gz FDRFUYHNCRCJGV-UHFFFAOYSA-N 0 0 289.291 1.872 20 5 CDBDRN Cc1cc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])on1 ZINC000346609591 153243378 /nfs/dbraw/zinc/24/33/78/153243378.db2.gz NWLKPCKBTTYXPU-UHFFFAOYSA-N 0 0 265.229 1.035 20 5 CDBDRN Cn1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000346609812 153243802 /nfs/dbraw/zinc/24/38/02/153243802.db2.gz PJCXPKAUGBTAGX-UHFFFAOYSA-N 0 0 259.265 1.863 20 5 CDBDRN O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3CCOC3)n2)nc1 ZINC000346871748 153334903 /nfs/dbraw/zinc/33/49/03/153334903.db2.gz PSJTWKXERKLNHF-VIFPVBQESA-N 0 0 290.279 1.543 20 5 CDBDRN COC(C)(C)c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000346987905 153369412 /nfs/dbraw/zinc/36/94/12/153369412.db2.gz WHFMDVAQYXTCFD-UHFFFAOYSA-N 0 0 267.245 1.260 20 5 CDBDRN CCCCCOC1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347433629 153528039 /nfs/dbraw/zinc/52/80/39/153528039.db2.gz PWEUBVUUNVWHEP-UHFFFAOYSA-N 0 0 296.327 1.360 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](O)C(C)(C)C2)n1 ZINC000275414790 292288083 /nfs/dbraw/zinc/28/80/83/292288083.db2.gz GQAPXPFRELDFAF-LLVKDONJSA-N 0 0 265.313 1.895 20 5 CDBDRN Cc1cnn(CC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000347962674 153730725 /nfs/dbraw/zinc/73/07/25/153730725.db2.gz ODHFJQPOPXBSPC-UHFFFAOYSA-N 0 0 278.243 1.878 20 5 CDBDRN CN(Cc1ccnn1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349295544 154083685 /nfs/dbraw/zinc/08/36/85/154083685.db2.gz BLFJHRDJBXHHLT-UHFFFAOYSA-N 0 0 264.241 1.194 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN2CCc3ccc(O)cc3C2)c1 ZINC000350083365 154323113 /nfs/dbraw/zinc/32/31/13/154323113.db2.gz QTAHLPYUECCNPJ-UHFFFAOYSA-N 0 0 288.307 1.555 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000351848565 154762054 /nfs/dbraw/zinc/76/20/54/154762054.db2.gz BVCNFDFCRNNNLU-KCJUWKMLSA-N 0 0 290.275 1.794 20 5 CDBDRN CC[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)OC ZINC000352183665 155004224 /nfs/dbraw/zinc/00/42/24/155004224.db2.gz GTKGNCVCXRLJAT-SNVBAGLBSA-N 0 0 284.243 1.872 20 5 CDBDRN Cc1ccc(C(=O)N2CC[S@@](=O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000352295359 155080080 /nfs/dbraw/zinc/08/00/80/155080080.db2.gz UUGLRPWVPNVSDY-WVDJIFEKSA-N 0 0 296.348 1.496 20 5 CDBDRN COC(=O)C(C)(C)N(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000353754855 156063455 /nfs/dbraw/zinc/06/34/55/156063455.db2.gz QRTVIUDLIODALD-UHFFFAOYSA-N 0 0 294.307 1.927 20 5 CDBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000353850572 156124088 /nfs/dbraw/zinc/12/40/88/156124088.db2.gz QDCMJVNTNMHYMS-JTQLQIEISA-N 0 0 295.364 1.876 20 5 CDBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCO ZINC000353892501 156146933 /nfs/dbraw/zinc/14/69/33/156146933.db2.gz GKWOIYAEKIWGOM-UHFFFAOYSA-N 0 0 267.285 1.661 20 5 CDBDRN Cc1ccc(C(=O)N2CCn3nccc32)cc1[N+](=O)[O-] ZINC000375579592 160393760 /nfs/dbraw/zinc/39/37/60/160393760.db2.gz WGBIGSZIQIGTIS-UHFFFAOYSA-N 0 0 272.264 1.760 20 5 CDBDRN Cc1nnc([C@H](C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])s1 ZINC000354202644 156322701 /nfs/dbraw/zinc/32/27/01/156322701.db2.gz HYDOUMDCUPIGPN-YFKPBYRVSA-N 0 0 296.312 1.277 20 5 CDBDRN C/C=C\C[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354239374 156345313 /nfs/dbraw/zinc/34/53/13/156345313.db2.gz OVRFIFXVQRQJQB-QUCGXOGASA-N 0 0 282.271 1.791 20 5 CDBDRN CS(=O)(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029463073 286607657 /nfs/dbraw/zinc/60/76/57/286607657.db2.gz AIZIAUBTUAYFLB-UHFFFAOYSA-N 0 0 299.352 1.067 20 5 CDBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]2CCC[C@H]2O1 ZINC000355850099 157264644 /nfs/dbraw/zinc/26/46/44/157264644.db2.gz URQOMAPXCBYLNU-VHSXEESVSA-N 0 0 294.311 1.490 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC(N)=O ZINC000356059203 157337400 /nfs/dbraw/zinc/33/74/00/157337400.db2.gz NXUUHCOMXUWYHN-QMMMGPOBSA-N 0 0 280.284 1.289 20 5 CDBDRN C[C@@H]1CSC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356214819 157401195 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UETRMCXRWUALSQ-ZETCQYMHSA-N 0 0 282.325 1.807 20 5 CDBDRN CN(C(=O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000343455283 152185980 /nfs/dbraw/zinc/18/59/80/152185980.db2.gz QZOZWRYUDIXYOI-UHFFFAOYSA-N 0 0 294.307 1.753 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000343606143 152242341 /nfs/dbraw/zinc/24/23/41/152242341.db2.gz OOHRQEIYWIHUOJ-UHFFFAOYSA-N 0 0 288.267 1.522 20 5 CDBDRN Cc1ccnc(NC[C@@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000343780450 152299870 /nfs/dbraw/zinc/29/98/70/152299870.db2.gz MIIXHLCJDGTUCO-JTQLQIEISA-N 0 0 253.302 1.975 20 5 CDBDRN NC(=O)c1cccc(N[C@@H]2C[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000343813085 152311583 /nfs/dbraw/zinc/31/15/83/152311583.db2.gz PQOSFKAGTBMORF-POYBYMJQSA-N 0 0 271.223 1.759 20 5 CDBDRN CCC(=O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344018659 152391437 /nfs/dbraw/zinc/39/14/37/152391437.db2.gz VJPBFCFUUOPEMV-UHFFFAOYSA-N 0 0 254.217 1.443 20 5 CDBDRN CCOC(=O)C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(C)=O ZINC000344142976 152433791 /nfs/dbraw/zinc/43/37/91/152433791.db2.gz RYOFCDNNBXYOEQ-JTQLQIEISA-N 0 0 298.320 1.993 20 5 CDBDRN Cc1ncncc1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344199964 152454853 /nfs/dbraw/zinc/45/48/53/152454853.db2.gz NALILXHKLKYGDB-UHFFFAOYSA-N 0 0 273.252 1.365 20 5 CDBDRN Cc1c(CS(=O)(=O)CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000344485867 152544927 /nfs/dbraw/zinc/54/49/27/152544927.db2.gz YPSUHEZEEAZBAR-UHFFFAOYSA-N 0 0 299.348 1.733 20 5 CDBDRN NC(=O)[C@H]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344745603 152629614 /nfs/dbraw/zinc/62/96/14/152629614.db2.gz HMTPFOQFVYGEHK-UWVGGRQHSA-N 0 0 291.307 1.825 20 5 CDBDRN Nc1c(C(=O)Nc2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000344980363 152702711 /nfs/dbraw/zinc/70/27/11/152702711.db2.gz MXOJOCJAOOJUPF-UHFFFAOYSA-N 0 0 298.262 1.472 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCCC1(F)CCC1 ZINC000345728140 152929407 /nfs/dbraw/zinc/92/94/07/152929407.db2.gz LOVDCTLSRUWLIG-UHFFFAOYSA-N 0 0 270.264 1.340 20 5 CDBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C(F)F ZINC000345854722 152977584 /nfs/dbraw/zinc/97/75/84/152977584.db2.gz XRTYLOGPJZLVJN-CBAPKCEASA-N 0 0 285.250 1.777 20 5 CDBDRN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C ZINC000345946522 153004738 /nfs/dbraw/zinc/00/47/38/153004738.db2.gz GKHYIRJOGHBDQR-VHSXEESVSA-N 0 0 281.312 1.743 20 5 CDBDRN CC(C)(C(=O)N[C@H]1CCC1(C)C)n1cc([N+](=O)[O-])cn1 ZINC000346125925 153061637 /nfs/dbraw/zinc/06/16/37/153061637.db2.gz ZMCCJCNXQIJQSZ-JTQLQIEISA-N 0 0 280.328 1.831 20 5 CDBDRN O=C(c1cccc(=O)[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000346147955 153072066 /nfs/dbraw/zinc/07/20/66/153072066.db2.gz KCSCYYCLGOLERO-UHFFFAOYSA-N 0 0 285.259 1.898 20 5 CDBDRN Nc1nc(NCc2ccc(F)cc2F)ncc1[N+](=O)[O-] ZINC000346543934 153223321 /nfs/dbraw/zinc/22/33/21/153223321.db2.gz LBZHSEADCBFWAU-UHFFFAOYSA-N 0 0 281.222 1.110 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N2C[C@@H](OC)[C@H](OC)C2)c1 ZINC000338706314 286383240 /nfs/dbraw/zinc/38/32/40/286383240.db2.gz JVQGUDJUWMZRKM-CHWSQXEVSA-N 0 0 282.296 1.453 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](O)C(C)(C)C2)n1 ZINC000275414797 292288506 /nfs/dbraw/zinc/28/85/06/292288506.db2.gz GQAPXPFRELDFAF-NSHDSACASA-N 0 0 265.313 1.895 20 5 CDBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000347944601 153725099 /nfs/dbraw/zinc/72/50/99/153725099.db2.gz BAPHTIYWIFGKFC-ZETCQYMHSA-N 0 0 254.217 1.709 20 5 CDBDRN Cc1noc(C)c1CCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000349244352 154073656 /nfs/dbraw/zinc/07/36/56/154073656.db2.gz RICIXHFTYADUQE-UHFFFAOYSA-N 0 0 277.280 1.912 20 5 CDBDRN COc1ccc(=O)n(Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000349820004 154227915 /nfs/dbraw/zinc/22/79/15/154227915.db2.gz RTRXCWXQYPHDOO-UHFFFAOYSA-N 0 0 297.217 1.487 20 5 CDBDRN C[C@H](C(=O)N1C[C@@H](O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000351812553 154732571 /nfs/dbraw/zinc/73/25/71/154732571.db2.gz RFEUMZSNKIITIS-YWVKMMECSA-N 0 0 296.298 1.819 20 5 CDBDRN CC(C)[C@H](CO)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352048098 154922276 /nfs/dbraw/zinc/92/22/76/154922276.db2.gz LIEUYYMTSCMACU-LBPRGKRZSA-N 0 0 281.312 1.411 20 5 CDBDRN CC1(C)CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000352143749 154983477 /nfs/dbraw/zinc/98/34/77/154983477.db2.gz VTZJGTPUHBLGAU-SNVBAGLBSA-N 0 0 293.323 1.451 20 5 CDBDRN COC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000353950614 156177994 /nfs/dbraw/zinc/17/79/94/156177994.db2.gz FSVOPSZNEGNBBG-JTQLQIEISA-N 0 0 281.312 1.432 20 5 CDBDRN C/C=C\C[C@@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000354186510 156312640 /nfs/dbraw/zinc/31/26/40/156312640.db2.gz GGODXFJPWBXNBT-SCOBNMCVSA-N 0 0 292.335 1.889 20 5 CDBDRN CN(C[C@@H](O)CO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000355741160 157211808 /nfs/dbraw/zinc/21/18/08/157211808.db2.gz LHXUBTVLCUPWJO-MRVPVSSYSA-N 0 0 294.229 1.403 20 5 CDBDRN Cc1cc(CN(C)Cc2c([N+](=O)[O-])ncn2C)no1 ZINC000355804528 157244504 /nfs/dbraw/zinc/24/45/04/157244504.db2.gz TUGGJWLEXABCHC-UHFFFAOYSA-N 0 0 265.273 1.257 20 5 CDBDRN CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H](CO)c1ccccc1 ZINC000355947638 157295142 /nfs/dbraw/zinc/29/51/42/157295142.db2.gz TVAQYBXXFJTZRW-ZDUSSCGKSA-N 0 0 290.323 1.494 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CC(OC)C1 ZINC000356863847 157592660 /nfs/dbraw/zinc/59/26/60/157592660.db2.gz NIJDCFJQCHJHOY-UHFFFAOYSA-N 0 0 266.297 1.824 20 5 CDBDRN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)C(C)(C)C ZINC000357052746 157642856 /nfs/dbraw/zinc/64/28/56/157642856.db2.gz RRFNKIUIDOYZLD-SECBINFHSA-N 0 0 284.316 1.119 20 5 CDBDRN O=C(NCCCN1CCCCC1=O)c1ccc([N+](=O)[O-])o1 ZINC000358922276 158073364 /nfs/dbraw/zinc/07/33/64/158073364.db2.gz JUDOMAQZMXHBKX-UHFFFAOYSA-N 0 0 295.295 1.320 20 5 CDBDRN O=C(NCCc1ccncc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000358946620 158079908 /nfs/dbraw/zinc/07/99/08/158079908.db2.gz RJRCCZIXGOMABR-UHFFFAOYSA-N 0 0 288.263 1.063 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(Cn2cncn2)no1 ZINC000359089220 158122822 /nfs/dbraw/zinc/12/28/22/158122822.db2.gz KXEASMJSXAXCIT-UHFFFAOYSA-N 0 0 286.251 1.593 20 5 CDBDRN Cc1nc[nH]c1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359510927 158270132 /nfs/dbraw/zinc/27/01/32/158270132.db2.gz BHCSYJFHPSQMDP-UHFFFAOYSA-N 0 0 274.280 1.865 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN[C@H](CO)c1cccc(F)c1 ZINC000359526181 158277138 /nfs/dbraw/zinc/27/71/38/158277138.db2.gz BQWGSVSZEGYINS-LLVKDONJSA-N 0 0 294.286 1.291 20 5 CDBDRN CO[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000359533521 158279355 /nfs/dbraw/zinc/27/93/55/158279355.db2.gz XJTSUGGTUSIDDV-BDAKNGLRSA-N 0 0 282.300 1.314 20 5 CDBDRN Cc1c(C(=O)N2CCc3n[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000359745432 158358957 /nfs/dbraw/zinc/35/89/57/158358957.db2.gz SMRFGBDTKHGUNH-UHFFFAOYSA-N 0 0 287.279 1.220 20 5 CDBDRN O=[N+]([O-])c1cnc(NCc2ncnn2-c2ccccc2)nc1 ZINC000359831302 158391808 /nfs/dbraw/zinc/39/18/08/158391808.db2.gz MDBXKNABFLBSEF-UHFFFAOYSA-N 0 0 297.278 1.578 20 5 CDBDRN CC1(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000359839661 158395176 /nfs/dbraw/zinc/39/51/76/158395176.db2.gz GNIMFUKWIDANOE-UHFFFAOYSA-N 0 0 299.352 1.844 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000360350409 158532120 /nfs/dbraw/zinc/53/21/20/158532120.db2.gz BWPQVYOTUJQOMW-NXEZZACHSA-N 0 0 284.291 1.497 20 5 CDBDRN COC[C@@H](C)[C@H](C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000361254364 158772792 /nfs/dbraw/zinc/77/27/92/158772792.db2.gz XTFUDMSVVGIXPU-SFYZADRCSA-N 0 0 295.299 1.764 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000361878234 159007042 /nfs/dbraw/zinc/00/70/42/159007042.db2.gz ZASSLBAUXBCHSB-LURJTMIESA-N 0 0 274.227 1.702 20 5 CDBDRN CC(C)c1nc(Cn2cc([N+](=O)[O-])c(C(N)=O)n2)cs1 ZINC000361956534 159023605 /nfs/dbraw/zinc/02/36/05/159023605.db2.gz DVXMEDVOTHRZGS-UHFFFAOYSA-N 0 0 295.324 1.518 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)c1c[nH]c2ncccc12 ZINC000362330897 159122583 /nfs/dbraw/zinc/12/25/83/159122583.db2.gz WERJZKSAEJCJMW-UHFFFAOYSA-N 0 0 285.263 1.859 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2nncn2C1 ZINC000366484405 159385793 /nfs/dbraw/zinc/38/57/93/159385793.db2.gz TUBDOCRLAGDPHQ-SECBINFHSA-N 0 0 287.279 1.387 20 5 CDBDRN CS[C@@H](C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373270522 160187646 /nfs/dbraw/zinc/18/76/46/160187646.db2.gz LKLCPMKSGRUUQW-VIFPVBQESA-N 0 0 298.368 1.706 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000374415337 160284448 /nfs/dbraw/zinc/28/44/48/160284448.db2.gz LXQKITVYZWTGKK-LDYMZIIASA-N 0 0 285.325 1.801 20 5 CDBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000089412925 165024352 /nfs/dbraw/zinc/02/43/52/165024352.db2.gz HYMJFOICDQEZKM-CABZTGNLSA-N 0 0 264.281 1.438 20 5 CDBDRN CC(C)(C)OC(=O)Cn1cccc([N+](=O)[O-])c1=O ZINC000005901477 170152752 /nfs/dbraw/zinc/15/27/52/170152752.db2.gz DWWAUQIESJGSDR-UHFFFAOYSA-N 0 0 254.242 1.098 20 5 CDBDRN CC(C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000016222483 170691086 /nfs/dbraw/zinc/69/10/86/170691086.db2.gz DUOYWCJYRBLNDU-UHFFFAOYSA-N 0 0 287.293 1.564 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284583094 196089811 /nfs/dbraw/zinc/08/98/11/196089811.db2.gz LKHLGQMJZPYUNN-BXKDBHETSA-N 0 0 291.307 1.097 20 5 CDBDRN COc1ccc(C(=O)NN2CCCCC2)cc1[N+](=O)[O-] ZINC000020495249 171227206 /nfs/dbraw/zinc/22/72/06/171227206.db2.gz YMOALVIXKVWAPO-UHFFFAOYSA-N 0 0 279.296 1.734 20 5 CDBDRN Nc1ccc(C(=O)Nc2nncs2)cc1[N+](=O)[O-] ZINC000022704888 171396183 /nfs/dbraw/zinc/39/61/83/171396183.db2.gz HNNAZVGYHUNCNC-UHFFFAOYSA-N 0 0 265.254 1.281 20 5 CDBDRN CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000033209900 171774102 /nfs/dbraw/zinc/77/41/02/171774102.db2.gz FWIPFPDJWRBZEO-LBPRGKRZSA-N 0 0 291.307 1.336 20 5 CDBDRN CNC(=O)C1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285022609 196180310 /nfs/dbraw/zinc/18/03/10/196180310.db2.gz MQECJQSMHBBFTL-UHFFFAOYSA-N 0 0 283.715 1.426 20 5 CDBDRN CSc1ccc(C(=O)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000035110252 171984684 /nfs/dbraw/zinc/98/46/84/171984684.db2.gz RELUMGPCZYLFMG-ZETCQYMHSA-N 0 0 270.310 1.427 20 5 CDBDRN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(N)=O ZINC000035149179 172011661 /nfs/dbraw/zinc/01/16/61/172011661.db2.gz NCYBHEHLVWCRBK-ZETCQYMHSA-N 0 0 260.253 1.429 20 5 CDBDRN COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285309059 196247766 /nfs/dbraw/zinc/24/77/66/196247766.db2.gz YVQNEBCTUWOWEX-WDEREUQCSA-N 0 0 278.264 1.733 20 5 CDBDRN Cc1c(CSc2nc(N)n[nH]2)cccc1[N+](=O)[O-] ZINC000035649464 172326101 /nfs/dbraw/zinc/32/61/01/172326101.db2.gz VVWQZQXEKFUIMX-UHFFFAOYSA-N 0 0 265.298 1.896 20 5 CDBDRN COC(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285438173 196284360 /nfs/dbraw/zinc/28/43/60/196284360.db2.gz XHNODEGOTURUQV-JTQLQIEISA-N 0 0 266.297 1.631 20 5 CDBDRN CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000285601187 196340002 /nfs/dbraw/zinc/34/00/02/196340002.db2.gz BRVQPZNPXJACTF-NSHDSACASA-N 0 0 293.323 1.515 20 5 CDBDRN CO[C@@H](C)CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000285657415 196357571 /nfs/dbraw/zinc/35/75/71/196357571.db2.gz LYQXUIXYSLJEBJ-NSHDSACASA-N 0 0 295.339 1.524 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000037285958 173092522 /nfs/dbraw/zinc/09/25/22/173092522.db2.gz DTHMWOYBAANAFQ-MRVPVSSYSA-N 0 0 268.244 1.595 20 5 CDBDRN O=C(NC[C@@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285970340 196457448 /nfs/dbraw/zinc/45/74/48/196457448.db2.gz ODAAACGBTILNPM-ZCFIWIBFSA-N 0 0 274.227 1.483 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC1 ZINC000286138057 196508431 /nfs/dbraw/zinc/50/84/31/196508431.db2.gz NIAFIFBKXHGSTL-UHFFFAOYSA-N 0 0 250.254 1.900 20 5 CDBDRN COC[C@@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000041677900 174603107 /nfs/dbraw/zinc/60/31/07/174603107.db2.gz INIXCVOUNOAINC-QMMMGPOBSA-N 0 0 270.260 1.746 20 5 CDBDRN COC(=O)[C@@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000042696652 174844592 /nfs/dbraw/zinc/84/45/92/174844592.db2.gz HFWVFRFFVQTHFX-ZETCQYMHSA-N 0 0 270.241 1.069 20 5 CDBDRN Nc1c([N+](=O)[O-])cnn1Cc1ccccc1[N+](=O)[O-] ZINC000043669733 175086725 /nfs/dbraw/zinc/08/67/25/175086725.db2.gz WJDFUMVTUTUAAQ-UHFFFAOYSA-N 0 0 263.213 1.330 20 5 CDBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000044196766 175153400 /nfs/dbraw/zinc/15/34/00/175153400.db2.gz PXTISEDPSCYISQ-UHFFFAOYSA-N 0 0 291.229 1.953 20 5 CDBDRN COCCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000044349036 175165909 /nfs/dbraw/zinc/16/59/09/175165909.db2.gz YNNNKEJYKIBRAQ-UHFFFAOYSA-N 0 0 266.257 1.970 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CO)C1 ZINC000051883841 175526882 /nfs/dbraw/zinc/52/68/82/175526882.db2.gz CVLUBVUQYSLITI-VIFPVBQESA-N 0 0 250.254 1.049 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C1CC1 ZINC000071299163 176113218 /nfs/dbraw/zinc/11/32/18/176113218.db2.gz FXTSWZVWXUTPND-GFCCVEGCSA-N 0 0 264.281 1.024 20 5 CDBDRN Cc1nn(C)c(NCc2ncccc2C)c1[N+](=O)[O-] ZINC000071344440 176130927 /nfs/dbraw/zinc/13/09/27/176130927.db2.gz OVEWWRAJJCHXHX-UHFFFAOYSA-N 0 0 261.285 1.952 20 5 CDBDRN COCCOCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000075874861 176810386 /nfs/dbraw/zinc/81/03/86/176810386.db2.gz XMXFEQBSNOXBFN-UHFFFAOYSA-N 0 0 274.298 1.049 20 5 CDBDRN NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000077309272 177251376 /nfs/dbraw/zinc/25/13/76/177251376.db2.gz OVNOHCLWZGXPOZ-MRVPVSSYSA-N 0 0 295.270 1.071 20 5 CDBDRN O=C(CCn1ccccc1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078606074 177359383 /nfs/dbraw/zinc/35/93/83/177359383.db2.gz WEBSOGXBGBORBR-UHFFFAOYSA-N 0 0 287.275 1.785 20 5 CDBDRN C[C@H](O)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000080116005 177612437 /nfs/dbraw/zinc/61/24/37/177612437.db2.gz PBKQGPDVZALPKF-ZETCQYMHSA-N 0 0 256.233 1.235 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CCc2n[nH]c(=O)cc2C1 ZINC000274772115 292585776 /nfs/dbraw/zinc/58/57/76/292585776.db2.gz UOOZSUNISHMVPO-UHFFFAOYSA-N 0 0 286.291 1.549 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C=CCCC2)n1 ZINC000191667534 227121906 /nfs/dbraw/zinc/12/19/06/227121906.db2.gz JVEYPQSLWPTMNG-VIFPVBQESA-N 0 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TUWSDNUJRPEXIJ-JTQLQIEISA-N 0 0 299.758 1.751 20 5 CDBDRN CC[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCOCC1 ZINC000554876738 290195772 /nfs/dbraw/zinc/19/57/72/290195772.db2.gz DCSMRMBGNUUKDW-JTQLQIEISA-N 0 0 282.300 1.253 20 5 CDBDRN COC[C@@H]1CCCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000342003788 292868043 /nfs/dbraw/zinc/86/80/43/292868043.db2.gz MKIWMMBDSLFOGU-SNVBAGLBSA-N 0 0 268.317 1.581 20 5 CDBDRN CCCN(CCC)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000561108364 293050596 /nfs/dbraw/zinc/05/05/96/293050596.db2.gz KQTAQOJVEDHZBN-UHFFFAOYSA-N 0 0 280.328 1.716 20 5 CDBDRN C[C@H](C(=O)N1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000562629536 293160686 /nfs/dbraw/zinc/16/06/86/293160686.db2.gz NNWRLCZNUIKUJX-JOYOIKCWSA-N 0 0 291.307 1.175 20 5 CDBDRN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[C@H]1CCCO1 ZINC000563114226 293278869 /nfs/dbraw/zinc/27/88/69/293278869.db2.gz VIJAWGZLVWRMSE-SECBINFHSA-N 0 0 291.263 1.591 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000563146120 293290158 /nfs/dbraw/zinc/29/01/58/293290158.db2.gz CPRFWLHRXAGJJU-GXFFZTMASA-N 0 0 293.323 1.954 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)C1CC2(CCC2)C1 ZINC000563162343 293295648 /nfs/dbraw/zinc/29/56/48/293295648.db2.gz ASZYOCUAPMTGBA-UHFFFAOYSA-N 0 0 278.312 1.488 20 5 CDBDRN COc1cncnc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000564872705 293439817 /nfs/dbraw/zinc/43/98/17/293439817.db2.gz PNXJLWZBSNVQMF-UHFFFAOYSA-N 0 0 288.263 1.954 20 5 CDBDRN CN1CCC[C@@H](CSc2ncccc2[N+](=O)[O-])C1=O ZINC000565610167 293648459 /nfs/dbraw/zinc/64/84/59/293648459.db2.gz OJKCQSXZLOSBEA-VIFPVBQESA-N 0 0 281.337 1.950 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2CO)c2cccnc21 ZINC000565703198 293664337 /nfs/dbraw/zinc/66/43/37/293664337.db2.gz JERPZEWYFZTYBG-GZMMTYOYSA-N 0 0 259.265 1.936 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H](C)S1 ZINC000565959759 293720721 /nfs/dbraw/zinc/72/07/21/293720721.db2.gz RUOLHBJCNYXUHO-HTQZYQBOSA-N 0 0 296.352 1.368 20 5 CDBDRN 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Cc1ccc([N+](=O)[O-])c(N2CCNC(=O)C[C@H]2C)n1 ZINC000360435926 301853840 /nfs/dbraw/zinc/85/38/40/301853840.db2.gz IXVUABOUBPVIHX-SECBINFHSA-N 0 0 264.285 1.013 20 5 CDBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)F ZINC000312187338 303522397 /nfs/dbraw/zinc/52/23/97/303522397.db2.gz YLDAWCIFXDTHRX-XICOKMJESA-N 0 0 286.234 1.350 20 5 CDBDRN O=C(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000349861821 316139862 /nfs/dbraw/zinc/13/98/62/316139862.db2.gz JLGPNJOJAQBUCG-UHFFFAOYSA-N 0 0 288.263 1.671 20 5 CDBDRN O=[N+]([O-])c1ncn(Cc2nc(C3CCSCC3)no2)n1 ZINC000350881230 316216796 /nfs/dbraw/zinc/21/67/96/316216796.db2.gz LQHCRWKNTWSJKM-UHFFFAOYSA-N 0 0 296.312 1.228 20 5 CDBDRN CC(C)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350886630 316218278 /nfs/dbraw/zinc/21/82/78/316218278.db2.gz GESUJICSEKOPQR-UHFFFAOYSA-N 0 0 251.246 1.577 20 5 CDBDRN CCCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000350920785 316220702 /nfs/dbraw/zinc/22/07/02/316220702.db2.gz CNJZIODOPPRNSR-UHFFFAOYSA-N 0 0 251.246 1.639 20 5 CDBDRN Cc1nc([N+](=O)[O-])c(-c2noc(COCC3CC3)n2)n1C ZINC000350921550 316221265 /nfs/dbraw/zinc/22/12/65/316221265.db2.gz GTUGSDLVNHBPEC-UHFFFAOYSA-N 0 0 293.283 1.613 20 5 CDBDRN CC(C)(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1=O ZINC000566794186 316678688 /nfs/dbraw/zinc/67/86/88/316678688.db2.gz TWQOQUBQRTUTJQ-JTQLQIEISA-N 0 0 296.302 1.940 20 5 CDBDRN Nc1nc(S[C@@H]2CCCCC2=O)ncc1[N+](=O)[O-] ZINC000569621760 316817149 /nfs/dbraw/zinc/81/71/49/316817149.db2.gz AEWTYZVOLHUVKU-MRVPVSSYSA-N 0 0 268.298 1.401 20 5 CDBDRN Cc1nc(N[C@]2(C)CCO[C@H]2C)ncc1[N+](=O)[O-] ZINC000570158989 316922264 /nfs/dbraw/zinc/92/22/64/316922264.db2.gz OPGDGPNVYAXAHY-GZMMTYOYSA-N 0 0 252.274 1.673 20 5 CDBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C(=O)N(C)C ZINC000571887250 316935018 /nfs/dbraw/zinc/93/50/18/316935018.db2.gz VIUABQRAEIFDBZ-ZCFIWIBFSA-N 0 0 256.237 1.018 20 5 CDBDRN C[C@@H]1[C@@H](O)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000575773275 317012867 /nfs/dbraw/zinc/01/28/67/317012867.db2.gz SVYWRQMGQIYKQS-XCBNKYQSSA-N 0 0 255.249 1.479 20 5 CDBDRN CC(C)Cc1noc(Cn2cc([N+](=O)[O-])cc(F)c2=O)n1 ZINC000576107678 317076326 /nfs/dbraw/zinc/07/63/26/317076326.db2.gz YHSMUUGBRUVNMD-UHFFFAOYSA-N 0 0 296.258 1.525 20 5 CDBDRN C[C@@H]1Cc2ccccc2CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576253158 317105622 /nfs/dbraw/zinc/10/56/22/317105622.db2.gz PCDXCOSHGFYQKZ-SECBINFHSA-N 0 0 286.291 1.905 20 5 CDBDRN C[C@H]1Cc2ccccc2CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576253159 317105826 /nfs/dbraw/zinc/10/58/26/317105826.db2.gz PCDXCOSHGFYQKZ-VIFPVBQESA-N 0 0 286.291 1.905 20 5 CDBDRN Cc1ccc(S(=O)(=O)N2CC3(CC3)C2)cc1[N+](=O)[O-] ZINC000576347463 317123135 /nfs/dbraw/zinc/12/31/35/317123135.db2.gz CXRNDSZXRKZIEA-UHFFFAOYSA-N 0 0 282.321 1.688 20 5 CDBDRN CCO[C@H]1C[C@H]1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000577336852 317308437 /nfs/dbraw/zinc/30/84/37/317308437.db2.gz ALTXLLLPMCMLKA-KOLCDFICSA-N 0 0 280.280 1.511 20 5 CDBDRN COCC1(O)CN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000383990416 323675585 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C[C@H]1CC[C@@H](Cn2cnc3sc([N+](=O)[O-])cc3c2=O)O1 ZINC000582605430 325007555 /nfs/dbraw/zinc/00/75/55/325007555.db2.gz XXLRDUBNFBFLNO-YUMQZZPRSA-N 0 0 295.320 1.934 20 5 CDBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)CCCO1 ZINC000167829410 1159275527 /nfs/dbraw/zinc/27/55/27/1159275527.db2.gz SCTNJDZDHCZAET-QMMMGPOBSA-N 0 0 252.274 1.187 20 5 CDBDRN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000286606363 482443589 /nfs/dbraw/zinc/44/35/89/482443589.db2.gz XYDGWTXTGYOUNJ-UHFFFAOYSA-N 0 0 262.269 1.965 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)c2cnn(C)c2)c1 ZINC000078055932 482831460 /nfs/dbraw/zinc/83/14/60/482831460.db2.gz OWEVSNSMGBLYBG-UHFFFAOYSA-N 0 0 275.264 1.898 20 5 CDBDRN O=C(NC[C@@H]1CC12CC2)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000420128868 482832084 /nfs/dbraw/zinc/83/20/84/482832084.db2.gz QDPDGVZSWCVBQY-ZETCQYMHSA-N 0 0 263.253 1.225 20 5 CDBDRN COc1ccc(N[C@H](C)c2cnccn2)nc1[N+](=O)[O-] ZINC001169514749 1162010908 /nfs/dbraw/zinc/01/09/08/1162010908.db2.gz RDQVFGDYRMNLJM-MRVPVSSYSA-N 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CC(C)C[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165706862 357765008 /nfs/dbraw/zinc/76/50/08/357765008.db2.gz GCRIMGCGOPNJGH-NSHDSACASA-N 0 0 284.287 1.871 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H](C(C)C)C1 ZINC000361043760 357777495 /nfs/dbraw/zinc/77/74/95/357777495.db2.gz FROYOPHEIANMCP-NSHDSACASA-N 0 0 282.344 1.981 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361047484 357777528 /nfs/dbraw/zinc/77/75/28/357777528.db2.gz YHXKCTBBZSDHGI-VXGBXAGGSA-N 0 0 294.355 1.982 20 5 CDBDRN CCOC(=O)C[C@H](C)N(C)c1c([N+](=O)[O-])nc(C)n1CC ZINC000361071917 357791726 /nfs/dbraw/zinc/79/17/26/357791726.db2.gz BGRSGIRQHBZDCP-VIFPVBQESA-N 0 0 298.343 1.898 20 5 CDBDRN C[C@H]1OCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000135227460 357798478 /nfs/dbraw/zinc/79/84/78/357798478.db2.gz HXJHBQPCASPMIK-PWBFPFQSSA-N 0 0 276.292 1.902 20 5 CDBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1(C)C ZINC000273519425 290594941 /nfs/dbraw/zinc/59/49/41/290594941.db2.gz 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/nfs/dbraw/zinc/17/29/73/132172973.db2.gz FXKICMFGELMQEU-ZETCQYMHSA-N 0 0 263.253 1.187 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000424982819 392981911 /nfs/dbraw/zinc/98/19/11/392981911.db2.gz OXYLTEYRBPYWRG-WCBMZHEXSA-N 0 0 278.312 1.799 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1Cn1cc(F)ccc1=O ZINC000429781043 393085420 /nfs/dbraw/zinc/08/54/20/393085420.db2.gz BQARQGPIFFQIMB-UHFFFAOYSA-N 0 0 278.239 1.953 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)C(=O)[C@@H]1C ZINC000430210953 393093799 /nfs/dbraw/zinc/09/37/99/393093799.db2.gz GHDQVTBYMKZOFG-JTQLQIEISA-N 0 0 293.323 1.266 20 5 CDBDRN COc1ccncc1CNc1ccc([N+](=O)[O-])cn1 ZINC000431408395 393109539 /nfs/dbraw/zinc/10/95/39/393109539.db2.gz VIWWCSBJMOZSIB-UHFFFAOYSA-N 0 0 260.253 1.427 20 5 CDBDRN CN1C(=O)N(CCc2cccc([N+](=O)[O-])c2)C(=O)C1(C)C ZINC000431404886 393110140 /nfs/dbraw/zinc/11/01/40/393110140.db2.gz XZNGANBEJHUADX-UHFFFAOYSA-N 0 0 291.307 1.810 20 5 CDBDRN Cc1cccc(N2CCS(=O)(=O)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000277618287 393133624 /nfs/dbraw/zinc/13/36/24/393133624.db2.gz MGIMPRDTRKAESG-SNVBAGLBSA-N 0 0 298.364 1.774 20 5 CDBDRN CO[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000449570385 393136054 /nfs/dbraw/zinc/13/60/54/393136054.db2.gz HNWSERUAGGFETF-GNXSNYGWSA-N 0 0 278.308 1.300 20 5 CDBDRN CO[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281847650 393159966 /nfs/dbraw/zinc/15/99/66/393159966.db2.gz UHEAYOFEPSVWQC-MWLCHTKSSA-N 0 0 293.323 1.817 20 5 CDBDRN CN(c1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000195296685 393160858 /nfs/dbraw/zinc/16/08/58/393160858.db2.gz GJTMOONBPLMKLX-UHFFFAOYSA-N 0 0 296.308 1.153 20 5 CDBDRN Nc1nc(NC[C@@H]2CCC(F)(F)C2)ncc1[N+](=O)[O-] ZINC000281948562 393164043 /nfs/dbraw/zinc/16/40/43/393164043.db2.gz JMMQQOXJJFLNTG-ZCFIWIBFSA-N 0 0 273.243 1.814 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCNC(=O)/C=C/c1ccco1 ZINC000493721966 393218556 /nfs/dbraw/zinc/21/85/56/393218556.db2.gz KLICJJDXRINVCW-ORAHPGNNSA-N 0 0 296.279 1.008 20 5 CDBDRN CC(C)COC[C@@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000195509441 393242465 /nfs/dbraw/zinc/24/24/65/393242465.db2.gz GLDWQCRNKIXJNR-QMMMGPOBSA-N 0 0 275.330 1.497 20 5 CDBDRN C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1C ZINC000284936325 393192995 /nfs/dbraw/zinc/19/29/95/393192995.db2.gz JMGZMOLGBLVCBH-IWSPIJDZSA-N 0 0 266.301 1.872 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCc2ncn(C)n2)n1 ZINC000162643525 393209892 /nfs/dbraw/zinc/20/98/92/393209892.db2.gz GETZWBYGZQYKEN-UHFFFAOYSA-N 0 0 262.273 1.081 20 5 CDBDRN CC(C)(CO)ONC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493623605 393216046 /nfs/dbraw/zinc/21/60/46/393216046.db2.gz HCQVYIJNMFXMMW-GQCTYLIASA-N 0 0 298.270 1.566 20 5 CDBDRN Cc1noc(CCC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000193391275 393334246 /nfs/dbraw/zinc/33/42/46/393334246.db2.gz DXSIUOITXHTYMG-UHFFFAOYSA-N 0 0 290.279 1.535 20 5 CDBDRN COCCCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000047199502 139611989 /nfs/dbraw/zinc/61/19/89/139611989.db2.gz TWFBWPDVGAMVPD-UHFFFAOYSA-N 0 0 282.296 1.516 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(F)c1F ZINC000049388121 139620973 /nfs/dbraw/zinc/62/09/73/139620973.db2.gz QLSSMHUDFJCCPS-UHFFFAOYSA-N 0 0 282.206 1.708 20 5 CDBDRN CC[C@]1(C)CN(c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000276012155 135117782 /nfs/dbraw/zinc/11/77/82/135117782.db2.gz IZIGFFRLGZZRPN-GFCCVEGCSA-N 0 0 251.286 1.995 20 5 CDBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000130810436 139831393 /nfs/dbraw/zinc/83/13/93/139831393.db2.gz HVTJFCCUYFBXSE-RNCFNFMXSA-N 0 0 296.298 1.960 20 5 CDBDRN Cc1nc(N2CC[C@@H](O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000167123264 139932008 /nfs/dbraw/zinc/93/20/08/139932008.db2.gz SIOVGUKSKOPQCY-LDYMZIIASA-N 0 0 251.286 1.505 20 5 CDBDRN CCC[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000180251888 140015339 /nfs/dbraw/zinc/01/53/39/140015339.db2.gz RWOWLRZNTFDFFC-NSHDSACASA-N 0 0 256.258 1.469 20 5 CDBDRN O=C(NCCc1nccs1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187048897 140074291 /nfs/dbraw/zinc/07/42/91/140074291.db2.gz APNAQCANPWNYBB-UHFFFAOYSA-N 0 0 294.292 1.124 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H]1CO ZINC000189409147 140115322 /nfs/dbraw/zinc/11/53/22/140115322.db2.gz CNTQBSDGJZUXES-ZWNOBZJWSA-N 0 0 278.308 1.746 20 5 CDBDRN Cc1cccc(NCCc2ncn(C)n2)c1[N+](=O)[O-] ZINC000218867099 140164241 /nfs/dbraw/zinc/16/42/41/140164241.db2.gz ONHGRKIMOJJVAV-UHFFFAOYSA-N 0 0 261.285 1.686 20 5 CDBDRN COc1cc(NCC(C)(C)O)c(F)cc1[N+](=O)[O-] ZINC000218853434 140164704 /nfs/dbraw/zinc/16/47/04/140164704.db2.gz ZJQJWYQMFCRGQU-UHFFFAOYSA-N 0 0 258.249 1.925 20 5 CDBDRN Nc1c(C(=O)N2CCCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000224244893 140173964 /nfs/dbraw/zinc/17/39/64/140173964.db2.gz ZISRAMZXCBMWHO-UHFFFAOYSA-N 0 0 283.259 1.179 20 5 CDBDRN O=C1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CN1 ZINC000226738776 140181326 /nfs/dbraw/zinc/18/13/26/140181326.db2.gz HXAOZASBURAJAV-MRVPVSSYSA-N 0 0 272.264 1.443 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[C@H](O)C1 ZINC000227515416 140186305 /nfs/dbraw/zinc/18/63/05/140186305.db2.gz RTUATMAVYPMXIT-OCCSQVGLSA-N 0 0 292.335 1.805 20 5 CDBDRN C[C@@H](O)C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000228165439 140191428 /nfs/dbraw/zinc/19/14/28/140191428.db2.gz DLZZTUGGRCHZQE-VHSXEESVSA-N 0 0 282.296 1.249 20 5 CDBDRN Cc1cc(N2CC[C@H](O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000229431765 140200995 /nfs/dbraw/zinc/20/09/95/140200995.db2.gz DGIKRCSUFQUGHJ-ONGXEEELSA-N 0 0 251.286 1.505 20 5 CDBDRN Cc1nn(C)c(NCCOCC(F)F)c1[N+](=O)[O-] ZINC000231680602 140217811 /nfs/dbraw/zinc/21/78/11/140217811.db2.gz SXBNOTFARQIBSX-UHFFFAOYSA-N 0 0 264.232 1.330 20 5 CDBDRN COC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251935647 140315511 /nfs/dbraw/zinc/31/55/11/140315511.db2.gz UGIHILRNMGKGNR-FZMZJTMJSA-N 0 0 280.324 1.831 20 5 CDBDRN CCOc1cc(N[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000323138456 397641476 /nfs/dbraw/zinc/64/14/76/397641476.db2.gz WMGGTWPWCCCSJV-MWLCHTKSSA-N 0 0 268.269 1.165 20 5 CDBDRN CN(Cc1ccccc1F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548083752 397707624 /nfs/dbraw/zinc/70/76/24/397707624.db2.gz NYWKRXMMLOXELJ-UHFFFAOYSA-N 0 0 278.243 1.729 20 5 CDBDRN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000153417679 289168447 /nfs/dbraw/zinc/16/84/47/289168447.db2.gz LUWBHDIPNHXGLA-MRVPVSSYSA-N 0 0 260.253 1.809 20 5 CDBDRN COC1CCC(N(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000265223037 292155540 /nfs/dbraw/zinc/15/55/40/292155540.db2.gz OZKPHIGIKIKIFC-UHFFFAOYSA-N 0 0 268.317 1.722 20 5 CDBDRN C[C@H](NC(=O)c1nnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000095039552 147109655 /nfs/dbraw/zinc/10/96/55/147109655.db2.gz SBJDEZSHWADVTE-ZETCQYMHSA-N 0 0 261.241 1.204 20 5 CDBDRN CC[C@H]1COCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000115575719 147264304 /nfs/dbraw/zinc/26/43/04/147264304.db2.gz DLRGMAGDALZSTN-NSHDSACASA-N 0 0 293.323 1.644 20 5 CDBDRN CC(C)(C)NC(=O)CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124557249 147448548 /nfs/dbraw/zinc/44/85/48/147448548.db2.gz UFCGEPWHXQYEOU-UHFFFAOYSA-N 0 0 295.299 1.026 20 5 CDBDRN C[C@@H](O)[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000168070225 147743807 /nfs/dbraw/zinc/74/38/07/147743807.db2.gz SRMYMNKNXFLORR-MNOVXSKESA-N 0 0 294.307 1.203 20 5 CDBDRN CCc1n[nH]c(C(=O)NC[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000175750998 148006824 /nfs/dbraw/zinc/00/68/24/148006824.db2.gz PSURYCTYMGGFQX-SCZZXKLOSA-N 0 0 296.327 1.161 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000177851674 148042961 /nfs/dbraw/zinc/04/29/61/148042961.db2.gz ATZZLBZYZMWBHI-GXSJLCMTSA-N 0 0 291.307 1.217 20 5 CDBDRN CCN(C[C@H]1CCCO1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180969488 148171612 /nfs/dbraw/zinc/17/16/12/148171612.db2.gz BOEKZQJNADTOQA-SNVBAGLBSA-N 0 0 293.323 1.818 20 5 CDBDRN CCC(C)(C)NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000181819309 148225972 /nfs/dbraw/zinc/22/59/72/148225972.db2.gz XFAKVXFIOXPEFR-VIFPVBQESA-N 0 0 268.317 1.966 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCC2CCOCC2)nc1 ZINC000310630529 149196424 /nfs/dbraw/zinc/19/64/24/149196424.db2.gz NBZGTBHKKWBTHX-UHFFFAOYSA-N 0 0 252.274 1.613 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](F)C1 ZINC000334919202 150079284 /nfs/dbraw/zinc/07/92/84/150079284.db2.gz TXOSHWOUFCZRGM-JTQLQIEISA-N 0 0 252.245 1.708 20 5 CDBDRN Cn1c(C(=O)NC2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000336140712 151305481 /nfs/dbraw/zinc/30/54/81/151305481.db2.gz PLGPOYPBEIUDMF-UHFFFAOYSA-N 0 0 251.286 1.996 20 5 CDBDRN CCOC[C@H](O)CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000336844490 151732177 /nfs/dbraw/zinc/73/21/77/151732177.db2.gz ZRCUZQOKXCJXFG-MRVPVSSYSA-N 0 0 288.275 1.552 20 5 CDBDRN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000343212457 152068694 /nfs/dbraw/zinc/06/86/94/152068694.db2.gz OHESJTRZGWCLJW-MRVPVSSYSA-N 0 0 292.270 1.991 20 5 CDBDRN CN(C)S(=O)(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000343216751 152071043 /nfs/dbraw/zinc/07/10/43/152071043.db2.gz LHOULMWFHOINAD-UHFFFAOYSA-N 0 0 296.308 1.031 20 5 CDBDRN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000343363513 152140427 /nfs/dbraw/zinc/14/04/27/152140427.db2.gz GOCDFGCXKJYTTH-UHFFFAOYSA-N 0 0 264.285 1.579 20 5 CDBDRN NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(F)c1 ZINC000343590924 152235379 /nfs/dbraw/zinc/23/53/79/152235379.db2.gz BDDQOVPELMIFIR-UHFFFAOYSA-N 0 0 293.210 1.678 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCS1(=O)=O ZINC000343606116 152242055 /nfs/dbraw/zinc/24/20/55/152242055.db2.gz OLSHPWPVQSVKJB-LLVKDONJSA-N 0 0 299.352 1.677 20 5 CDBDRN CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000343610041 152242807 /nfs/dbraw/zinc/24/28/07/152242807.db2.gz MTAMGBFMGKNTPW-WDEREUQCSA-N 0 0 272.688 1.444 20 5 CDBDRN CC[C@H](O)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000343641877 152253949 /nfs/dbraw/zinc/25/39/49/152253949.db2.gz UNIUBHMBMTYSFP-LBPRGKRZSA-N 0 0 266.297 1.876 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2cncc(F)c2)c1[N+](=O)[O-] ZINC000343741766 152286336 /nfs/dbraw/zinc/28/63/36/152286336.db2.gz KXFAEYNHAXYTTN-UHFFFAOYSA-N 0 0 265.204 1.413 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](CO)C(C)C ZINC000343791809 152304785 /nfs/dbraw/zinc/30/47/85/152304785.db2.gz UDKRTUFXFYEKGX-SNVBAGLBSA-N 0 0 270.333 1.796 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2C(F)F)n1 ZINC000343814091 152312564 /nfs/dbraw/zinc/31/25/64/152312564.db2.gz QYEFXOVFFVIJHF-FSPLSTOPSA-N 0 0 287.222 1.842 20 5 CDBDRN CN(Cc1ccnn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000344056065 152404526 /nfs/dbraw/zinc/40/45/26/152404526.db2.gz BBTIYWJCFVFIKT-UHFFFAOYSA-N 0 0 289.295 1.992 20 5 CDBDRN C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344105213 152420568 /nfs/dbraw/zinc/42/05/68/152420568.db2.gz SAYUBQVRXBFSEQ-MWLCHTKSSA-N 0 0 264.281 1.438 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCSC1 ZINC000345967987 153012466 /nfs/dbraw/zinc/01/24/66/153012466.db2.gz QXXXZGWMLUROLQ-JTQLQIEISA-N 0 0 298.368 1.359 20 5 CDBDRN O=C([C@H]1CC[C@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000346157644 153076081 /nfs/dbraw/zinc/07/60/81/153076081.db2.gz TZOKVVSSXNMSEL-JQWIXIFHSA-N 0 0 276.292 1.645 20 5 CDBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000346275830 153121498 /nfs/dbraw/zinc/12/14/98/153121498.db2.gz RYNONNFNMDBCJN-UHFFFAOYSA-N 0 0 292.270 1.984 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@@H](O)[C@@H]1CCOC1 ZINC000346444464 153190736 /nfs/dbraw/zinc/19/07/36/153190736.db2.gz XPKOHEMSVQDGRO-PRHODGIISA-N 0 0 270.260 1.543 20 5 CDBDRN Cc1nc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)co1 ZINC000347304250 153479740 /nfs/dbraw/zinc/47/97/40/153479740.db2.gz SDXMEZQLYVEECR-UHFFFAOYSA-N 0 0 275.224 1.947 20 5 CDBDRN Cn1c(C(=O)NCC2CCCC2)ccc1[N+](=O)[O-] ZINC000347422757 153523131 /nfs/dbraw/zinc/52/31/31/153523131.db2.gz HELDFJHDQMKWMW-UHFFFAOYSA-N 0 0 251.286 1.853 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC1C(C)(C)C1(C)C ZINC000347428721 153526250 /nfs/dbraw/zinc/52/62/50/153526250.db2.gz MJBIHVLZRGLQHK-UHFFFAOYSA-N 0 0 266.301 1.493 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000193665530 292293692 /nfs/dbraw/zinc/29/36/92/292293692.db2.gz ICOQVZMHRCMPSZ-NSHDSACASA-N 0 0 291.307 1.901 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCOCC1CC1 ZINC000349264707 154078992 /nfs/dbraw/zinc/07/89/92/154078992.db2.gz HPSYONXIBZWVMS-UHFFFAOYSA-N 0 0 252.270 1.492 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccno1 ZINC000349449589 154116405 /nfs/dbraw/zinc/11/64/05/154116405.db2.gz IGIPDXFIQWKVAC-UHFFFAOYSA-N 0 0 297.292 1.370 20 5 CDBDRN CC[C@](C)(OC)c1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000350432903 154382818 /nfs/dbraw/zinc/38/28/18/154382818.db2.gz CFGUHHFVATXWHK-NSHDSACASA-N 0 0 281.272 1.650 20 5 CDBDRN Cc1cc(-c2nc([C@@H](C)NC(N)=O)no2)ccc1[N+](=O)[O-] ZINC000350500765 154396125 /nfs/dbraw/zinc/39/61/25/154396125.db2.gz GLDVMIFSXOXNEY-SSDOTTSWSA-N 0 0 291.267 1.683 20 5 CDBDRN COc1cccc(N2CCC(NC(N)=O)CC2)c1[N+](=O)[O-] ZINC000290531881 286456080 /nfs/dbraw/zinc/45/60/80/286456080.db2.gz DJHYDSSVRCMKKE-UHFFFAOYSA-N 0 0 294.311 1.241 20 5 CDBDRN CNC(=O)CCCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352178787 155001921 /nfs/dbraw/zinc/00/19/21/155001921.db2.gz QTUANWGQUDRKST-UHFFFAOYSA-N 0 0 283.259 1.589 20 5 CDBDRN CCN1CCOC[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352179090 155002981 /nfs/dbraw/zinc/00/29/81/155002981.db2.gz UXVODBVSBBLRDK-GFCCVEGCSA-N 0 0 297.286 1.393 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOCC2(CCCC2)C1 ZINC000373480025 304395819 /nfs/dbraw/zinc/39/58/19/304395819.db2.gz LJKXYXQKTIVCEA-GHMZBOCLSA-N 0 0 268.313 1.071 20 5 CDBDRN CC1(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)COC1 ZINC000353730700 156045776 /nfs/dbraw/zinc/04/57/76/156045776.db2.gz JHSWFGYXQBRRHG-UHFFFAOYSA-N 0 0 258.661 1.446 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(C(F)F)CC1 ZINC000354117872 156275812 /nfs/dbraw/zinc/27/58/12/156275812.db2.gz SXXWNLPOKYBVLR-UHFFFAOYSA-N 0 0 274.227 1.435 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H](C)c2nc(C)no2)c1[N+](=O)[O-] ZINC000354576637 156530937 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O=C(NCCOCCF)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598558515 343824737 /nfs/dbraw/zinc/82/47/37/343824737.db2.gz DGHOGXVUUHGHEZ-UHFFFAOYSA-N 0 0 295.270 1.792 20 5 CDBDRN CN(C[C@@H]1CC1(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598565432 343831432 /nfs/dbraw/zinc/83/14/32/343831432.db2.gz OFTWARPVAHQURK-JTQLQIEISA-N 0 0 293.323 1.261 20 5 CDBDRN COC(=O)c1ccnc(N2C3CCC2CC3)c1[N+](=O)[O-] ZINC000598586367 343835657 /nfs/dbraw/zinc/83/56/57/343835657.db2.gz HBGGYEGFPRVRRV-UHFFFAOYSA-N 0 0 277.280 1.908 20 5 CDBDRN COC(=O)c1ccnc(NC[C@H]2CC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000598630974 343849168 /nfs/dbraw/zinc/84/91/68/343849168.db2.gz KDBFAZRERIRKMX-RKDXNWHRSA-N 0 0 295.295 1.756 20 5 CDBDRN C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598785222 343898317 /nfs/dbraw/zinc/89/83/17/343898317.db2.gz MUVPCNAHSUXSNW-YPMHNXCESA-N 0 0 292.335 1.614 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC([C@H]2CCOC2)CC1 ZINC000612099186 347017881 /nfs/dbraw/zinc/01/78/81/347017881.db2.gz 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/nfs/dbraw/zinc/17/97/98/344179798.db2.gz KFDIMKOLGONRIO-UHFFFAOYSA-N 0 0 292.338 1.032 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccoc1 ZINC000299280252 362364363 /nfs/dbraw/zinc/36/43/63/362364363.db2.gz NTWCBBRHJXFNJT-UHFFFAOYSA-N 0 0 278.268 1.399 20 5 CDBDRN CC[C@]1(O)CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000601808503 344266467 /nfs/dbraw/zinc/26/64/67/344266467.db2.gz AWRHSNOXTJGOKE-HNNXBMFYSA-N 0 0 292.335 1.901 20 5 CDBDRN O=[N+]([O-])c1nccn1C[C@@H](O)CCc1ccccc1 ZINC000601962913 344297027 /nfs/dbraw/zinc/29/70/27/344297027.db2.gz GTJFNAJWNJHZRX-LBPRGKRZSA-N 0 0 261.281 1.785 20 5 CDBDRN COC1CC(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)C1 ZINC000602321741 344397924 /nfs/dbraw/zinc/39/79/24/344397924.db2.gz NCPALTVXMBQLBW-UHFFFAOYSA-N 0 0 265.269 1.378 20 5 CDBDRN COC(=O)C1(NCCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000602798356 344588709 /nfs/dbraw/zinc/58/87/09/344588709.db2.gz ZBEZLEIXTQZRIS-UHFFFAOYSA-N 0 0 296.327 1.175 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCO[C@@H]2C[C@@H]21 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Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CCSC1 ZINC000602954346 344672201 /nfs/dbraw/zinc/67/22/01/344672201.db2.gz WCFLSEZETGOSQU-SECBINFHSA-N 0 0 296.352 1.689 20 5 CDBDRN Cc1noc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000602857672 344631254 /nfs/dbraw/zinc/63/12/54/344631254.db2.gz XKXXNVDGFGJSQU-KXUCPTDWSA-N 0 0 296.327 1.331 20 5 CDBDRN O=C1[C@H](SCCO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000603311301 344766764 /nfs/dbraw/zinc/76/67/64/344766764.db2.gz KAOIGUDQOIKHAR-LLVKDONJSA-N 0 0 282.321 1.426 20 5 CDBDRN Cc1nn(C[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000603316849 344768104 /nfs/dbraw/zinc/76/81/04/344768104.db2.gz CDEUGSLDHWSZQB-SNVBAGLBSA-N 0 0 262.269 1.827 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(Cc2ccn(C(C)C)n2)c1=O ZINC000603356506 344782132 /nfs/dbraw/zinc/78/21/32/344782132.db2.gz AICKKLWAPCWZIN-UHFFFAOYSA-N 0 0 292.295 1.591 20 5 CDBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ncc[nH]1 ZINC000603882084 344841998 /nfs/dbraw/zinc/84/19/98/344841998.db2.gz IRZJDTUHFVEOIA-UHFFFAOYSA-N 0 0 275.268 1.759 20 5 CDBDRN COc1ccc(CC(=O)N2CC(C)(OC)C2)cc1[N+](=O)[O-] ZINC000537501777 282363147 /nfs/dbraw/zinc/36/31/47/282363147.db2.gz GQCNTTZIKUAOJP-UHFFFAOYSA-N 0 0 294.307 1.393 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000604032899 344853168 /nfs/dbraw/zinc/85/31/68/344853168.db2.gz JAOQXRRZRRINBK-UHFFFAOYSA-N 0 0 288.263 1.583 20 5 CDBDRN O=[N+]([O-])c1cccc(CNc2cncc(-n3cncn3)n2)c1 ZINC000604482314 344895360 /nfs/dbraw/zinc/89/53/60/344895360.db2.gz KHORDWQLIFXQEN-UHFFFAOYSA-N 0 0 297.278 1.578 20 5 CDBDRN COc1cc(C(=O)Nc2nnc(C)n2C)ccc1[N+](=O)[O-] ZINC000273225572 192080118 /nfs/dbraw/zinc/08/01/18/192080118.db2.gz ULDHROVWZMATJW-UHFFFAOYSA-N 0 0 291.267 1.293 20 5 CDBDRN C[C@@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CO1 ZINC000402390767 344967297 /nfs/dbraw/zinc/96/72/97/344967297.db2.gz UAQGKOABIMYOBY-RQJHMYQMSA-N 0 0 257.677 1.654 20 5 CDBDRN CCN(c1nc2sccn2c1[N+](=O)[O-])[C@@H](C)CO ZINC000292789173 362500260 /nfs/dbraw/zinc/50/02/60/362500260.db2.gz MLSOIQNXMONSQG-ZETCQYMHSA-N 0 0 270.314 1.511 20 5 CDBDRN CC1(C)CCC[C@@]1(O)CNc1ncc([N+](=O)[O-])cn1 ZINC000292846732 362512609 /nfs/dbraw/zinc/51/26/09/362512609.db2.gz QYYGGTZUUHIBOE-GFCCVEGCSA-N 0 0 266.301 1.738 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@@H](CO)C2CCCCC2)nc1 ZINC000292824275 362510980 /nfs/dbraw/zinc/51/09/80/362510980.db2.gz PFQHOPKXFRDEGU-NSHDSACASA-N 0 0 280.328 1.986 20 5 CDBDRN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1c(F)cncc1F ZINC000344157621 362546517 /nfs/dbraw/zinc/54/65/17/362546517.db2.gz UMHGPJFTEPHHEZ-RXMQYKEDSA-N 0 0 297.221 1.482 20 5 CDBDRN CCNC(=O)[C@@H](NCc1csc([N+](=O)[O-])c1)C(C)C ZINC000293395941 362557298 /nfs/dbraw/zinc/55/72/98/362557298.db2.gz XPMAWQMOYDZKMD-NSHDSACASA-N 0 0 285.369 1.907 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ncc(C)o2)n1 ZINC000231656715 362561047 /nfs/dbraw/zinc/56/10/47/362561047.db2.gz DEVFXFMEVQEWGO-UHFFFAOYSA-N 0 0 292.251 1.685 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)CC1 ZINC000007782433 345129227 /nfs/dbraw/zinc/12/92/27/345129227.db2.gz CIGXNPPRDAKYRZ-UHFFFAOYSA-N 0 0 292.339 1.089 20 5 CDBDRN Cc1cnc(N[C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000129014686 345251945 /nfs/dbraw/zinc/25/19/45/345251945.db2.gz SYLKMADIMMJNFX-ZJUUUORDSA-N 0 0 251.286 1.870 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCC[C@H]32)n1 ZINC000617410420 345496852 /nfs/dbraw/zinc/49/68/52/345496852.db2.gz BFNOBWQUCIZYKS-VHSXEESVSA-N 0 0 278.312 1.826 20 5 CDBDRN C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 ZINC000295118492 199354052 /nfs/dbraw/zinc/35/40/52/199354052.db2.gz WZSPLZGDXDERMS-MRVPVSSYSA-N 0 0 283.715 1.569 20 5 CDBDRN COC[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000265771171 362606744 /nfs/dbraw/zinc/60/67/44/362606744.db2.gz CZJSYRWXOOGXGR-QMMMGPOBSA-N 0 0 278.268 1.604 20 5 CDBDRN CC1(C)[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]2CCO[C@@H]21 ZINC000265972739 362633547 /nfs/dbraw/zinc/63/35/47/362633547.db2.gz LDHNQDCELOJPJI-ZQARSLAVSA-N 0 0 279.300 1.192 20 5 CDBDRN CN(C[C@@H](O)C1CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000087557517 345732485 /nfs/dbraw/zinc/73/24/85/345732485.db2.gz NKZSRHGTGWZTNQ-CYBMUJFWSA-N 0 0 294.307 1.203 20 5 CDBDRN Cc1cc(C(=O)Cn2c(C)ncc2[N+](=O)[O-])c(C)n1C ZINC000026102613 345987913 /nfs/dbraw/zinc/98/79/13/345987913.db2.gz XHRIXTBIBYFRHZ-UHFFFAOYSA-N 0 0 276.296 1.938 20 5 CDBDRN O=[N+]([O-])c1ncccc1NCCOC[C@@H]1CCCO1 ZINC000609670678 345988634 /nfs/dbraw/zinc/98/86/34/345988634.db2.gz GELVWBHJRPWSRZ-JTQLQIEISA-N 0 0 267.285 1.597 20 5 CDBDRN Cc1[nH][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000609893927 346037081 /nfs/dbraw/zinc/03/70/81/346037081.db2.gz VGKZJEIOBXFCOT-QMMMGPOBSA-N 0 0 297.702 1.567 20 5 CDBDRN CC(=O)N[C@H]1CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000121585624 346085487 /nfs/dbraw/zinc/08/54/87/346085487.db2.gz IALGMZRGEIAGRI-NSHDSACASA-N 0 0 278.312 1.403 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ncnn1C ZINC000618697413 346214764 /nfs/dbraw/zinc/21/47/64/346214764.db2.gz QIISLRYIRZNMJO-VIFPVBQESA-N 0 0 289.295 1.523 20 5 CDBDRN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])cn2C)on1 ZINC000610154552 346214315 /nfs/dbraw/zinc/21/43/15/346214315.db2.gz OYWDTGSPIQFVQR-UHFFFAOYSA-N 0 0 278.268 1.414 20 5 CDBDRN CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1cccnn1 ZINC000610252780 346231295 /nfs/dbraw/zinc/23/12/95/346231295.db2.gz VTYOWMAKUILJOH-UHFFFAOYSA-N 0 0 272.264 1.590 20 5 CDBDRN CCC[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259463 346234200 /nfs/dbraw/zinc/23/42/00/346234200.db2.gz OSYVLDGTBANFTL-QMMMGPOBSA-N 0 0 273.314 1.457 20 5 CDBDRN CC(C)OC(=O)[C@H](C)CNc1cccnc1[N+](=O)[O-] ZINC000610281772 346242959 /nfs/dbraw/zinc/24/29/59/346242959.db2.gz JZBRYICNUCWRQU-SECBINFHSA-N 0 0 267.285 1.989 20 5 CDBDRN CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610409309 346274189 /nfs/dbraw/zinc/27/41/89/346274189.db2.gz GBLMERIYMJMUAC-UWVGGRQHSA-N 0 0 299.352 1.799 20 5 CDBDRN Cc1cc(N(C)Cc2nnc3ccccn32)ncc1[N+](=O)[O-] ZINC000610430892 346279117 /nfs/dbraw/zinc/27/91/17/346279117.db2.gz QUDCUFHYCSXODB-UHFFFAOYSA-N 0 0 298.306 1.977 20 5 CDBDRN Cc1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000610668417 346338386 /nfs/dbraw/zinc/33/83/86/346338386.db2.gz ZGOXFITTXOPUHU-UHFFFAOYSA-N 0 0 288.307 1.875 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]2C[C@H]2C)no1 ZINC000350651838 346376763 /nfs/dbraw/zinc/37/67/63/346376763.db2.gz VRUSKWPZKHFBIZ-VXNVDRBHSA-N 0 0 277.284 1.849 20 5 CDBDRN Cc1cc(N2CCC(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000610756332 346394175 /nfs/dbraw/zinc/39/41/75/346394175.db2.gz KSASNFLTZHSEAD-UHFFFAOYSA-N 0 0 298.364 1.917 20 5 CDBDRN CCC[C@H](O)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000611003861 346572251 /nfs/dbraw/zinc/57/22/51/346572251.db2.gz QZPPAJFQHGARCN-NSHDSACASA-N 0 0 266.297 1.762 20 5 CDBDRN CCN(CC(=O)N(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611254587 346721164 /nfs/dbraw/zinc/72/11/64/346721164.db2.gz VAWINDZYXUTOFF-UHFFFAOYSA-N 0 0 279.340 1.813 20 5 CDBDRN CNC(=O)[C@H]1CCC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000611221861 346695608 /nfs/dbraw/zinc/69/56/08/346695608.db2.gz DGJSWTNYXHXOKO-IUCAKERBSA-N 0 0 264.285 1.316 20 5 CDBDRN CNC(=O)c1ccc(N2CC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000611228334 346699781 /nfs/dbraw/zinc/69/97/81/346699781.db2.gz MAADBKZSMHGIAG-ZDUSSCGKSA-N 0 0 281.287 1.893 20 5 CDBDRN CO[C@@H]1CCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611373547 346771916 /nfs/dbraw/zinc/77/19/16/346771916.db2.gz CMCFNCMPYSOSAO-NXEZZACHSA-N 0 0 291.311 1.286 20 5 CDBDRN O=C(N[C@@H](CO)CC1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000611295497 346739842 /nfs/dbraw/zinc/73/98/42/346739842.db2.gz JZGKUDVKJFIESM-LLVKDONJSA-N 0 0 282.271 1.625 20 5 CDBDRN Cc1cc(C(=O)N2C[C@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000129329892 362775198 /nfs/dbraw/zinc/77/51/98/362775198.db2.gz NHAXOCAWHCMMJX-ZYHUDNBSSA-N 0 0 294.307 1.125 20 5 CDBDRN CN(C)c1ccnc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000612346629 347124755 /nfs/dbraw/zinc/12/47/55/347124755.db2.gz KZVYIGRTSRQRJV-UHFFFAOYSA-N 0 0 289.295 1.647 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(N3CCCOCC3)c21 ZINC000612442209 347172495 /nfs/dbraw/zinc/17/24/95/347172495.db2.gz VBZPNYORGMXQEZ-UHFFFAOYSA-N 0 0 274.280 1.765 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(N3CCc4c[nH]nc4C3)c21 ZINC000612449004 347175520 /nfs/dbraw/zinc/17/55/20/347175520.db2.gz GRZVNFROCCXPEQ-UHFFFAOYSA-N 0 0 296.290 1.824 20 5 CDBDRN C[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000612655713 347240448 /nfs/dbraw/zinc/24/04/48/347240448.db2.gz PWVDJJMQELDETJ-MRVPVSSYSA-N 0 0 299.352 1.700 20 5 CDBDRN Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000612789295 347284078 /nfs/dbraw/zinc/28/40/78/347284078.db2.gz FBFGNLKSQNQXLR-UHFFFAOYSA-N 0 0 296.308 1.105 20 5 CDBDRN CC(C)n1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 ZINC000066387309 347484291 /nfs/dbraw/zinc/48/42/91/347484291.db2.gz DLBKOSFOPLIZBQ-UHFFFAOYSA-N 0 0 278.272 1.207 20 5 CDBDRN CNC(=O)CCSc1ccc([N+](=O)[O-])cc1F ZINC000564337291 293346155 /nfs/dbraw/zinc/34/61/55/293346155.db2.gz IIURQBQIYPFRLK-UHFFFAOYSA-N 0 0 258.274 1.962 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000054134021 347816350 /nfs/dbraw/zinc/81/63/50/347816350.db2.gz MRRGJRGOAPTTLV-JTQLQIEISA-N 0 0 293.323 1.522 20 5 CDBDRN COCCN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054361482 347820758 /nfs/dbraw/zinc/82/07/58/347820758.db2.gz VXKWKNBCJYRLFE-UHFFFAOYSA-N 0 0 292.295 1.723 20 5 CDBDRN O=C(C[C@H]1CCCO1)NCc1ccc([N+](=O)[O-])cc1 ZINC000055798664 347851468 /nfs/dbraw/zinc/85/14/68/347851468.db2.gz RNOSXSKFDXWOGU-GFCCVEGCSA-N 0 0 264.281 1.780 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOCC2(CCCC2)C1 ZINC000613963385 347951886 /nfs/dbraw/zinc/95/18/86/347951886.db2.gz JWCKZRISMLKQDJ-UHFFFAOYSA-N 0 0 293.323 1.956 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCOCC2(CCCC2)C1 ZINC000613901245 347947076 /nfs/dbraw/zinc/94/70/76/347947076.db2.gz PKUVKJNAPLNORM-UHFFFAOYSA-N 0 0 280.328 1.725 20 5 CDBDRN CN(CC1(O)CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000614830506 348243959 /nfs/dbraw/zinc/24/39/59/348243959.db2.gz LIAGTMNZXVFVHR-UHFFFAOYSA-N 0 0 272.326 1.634 20 5 CDBDRN CC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000087041021 179387068 /nfs/dbraw/zinc/38/70/68/179387068.db2.gz XZXAOZGVHUICSP-NSHDSACASA-N 0 0 288.325 1.034 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cocn1 ZINC000614936985 348280414 /nfs/dbraw/zinc/28/04/14/348280414.db2.gz ABHWGYZLMGADBG-UHFFFAOYSA-N 0 0 292.251 1.913 20 5 CDBDRN CNc1nc(C(=O)N(C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000456067938 362893182 /nfs/dbraw/zinc/89/31/82/362893182.db2.gz XHGMLMMZUWQDFI-SECBINFHSA-N 0 0 294.311 1.283 20 5 CDBDRN Cc1cc(C)n(CCCNC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000022412416 348539558 /nfs/dbraw/zinc/53/95/58/348539558.db2.gz QHALHSBQRSYTKE-UHFFFAOYSA-N 0 0 292.295 1.821 20 5 CDBDRN CC(C)C(=O)NCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024235426 348545855 /nfs/dbraw/zinc/54/58/55/348545855.db2.gz ZWAWQFFVYKHNFA-UHFFFAOYSA-N 0 0 294.311 1.489 20 5 CDBDRN COCCCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000024520894 348546999 /nfs/dbraw/zinc/54/69/99/348546999.db2.gz SHGPVKVYCSWRIA-UHFFFAOYSA-N 0 0 282.296 1.435 20 5 CDBDRN CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000273432780 192148386 /nfs/dbraw/zinc/14/83/86/192148386.db2.gz LSHPVZNPOVGQGU-UHFFFAOYSA-N 0 0 263.297 1.259 20 5 CDBDRN CCN1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000273442610 192151066 /nfs/dbraw/zinc/15/10/66/192151066.db2.gz NOAHIQDDOPQZMC-LLVKDONJSA-N 0 0 277.324 1.820 20 5 CDBDRN CCNC(=O)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273446839 192153997 /nfs/dbraw/zinc/15/39/97/192153997.db2.gz KIEJTVXHDWPAFV-ZETCQYMHSA-N 0 0 298.274 1.380 20 5 CDBDRN Cc1nnc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)s1 ZINC000273453102 192155617 /nfs/dbraw/zinc/15/56/17/192155617.db2.gz DWSUASPDEGJNJT-YFKPBYRVSA-N 0 0 268.302 1.661 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](O)C1 ZINC000273466862 192161771 /nfs/dbraw/zinc/16/17/71/192161771.db2.gz NWIUZNVYMPYUBE-VIFPVBQESA-N 0 0 283.259 1.723 20 5 CDBDRN CNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000026729287 348659972 /nfs/dbraw/zinc/65/99/72/348659972.db2.gz DHDUXOMOOJWHJV-UHFFFAOYSA-N 0 0 286.291 1.962 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@@H]2COC3(CCCCC3)O2)nc1 ZINC000273948191 192374377 /nfs/dbraw/zinc/37/43/77/192374377.db2.gz MNEMEMFODRCJIS-LLVKDONJSA-N 0 0 294.311 1.873 20 5 CDBDRN CC(C)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000063575832 348926809 /nfs/dbraw/zinc/92/68/09/348926809.db2.gz WZCNNXICIWEEQB-UHFFFAOYSA-N 0 0 280.328 1.828 20 5 CDBDRN CCC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000065742552 348962517 /nfs/dbraw/zinc/96/25/17/348962517.db2.gz TVTGQOSXUOAEGL-UHFFFAOYSA-N 0 0 268.317 1.795 20 5 CDBDRN Cc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065753917 348963436 /nfs/dbraw/zinc/96/34/36/348963436.db2.gz AJWHEXWXVLDZIU-UHFFFAOYSA-N 0 0 288.307 1.806 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CC1 ZINC000129118004 187411500 /nfs/dbraw/zinc/41/15/00/187411500.db2.gz LJQQAWPLPWAMMZ-UHFFFAOYSA-N 0 0 293.279 1.163 20 5 CDBDRN COc1ccc(CC(=O)N2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000067905906 349041378 /nfs/dbraw/zinc/04/13/78/349041378.db2.gz PONKRLDAARYQRG-NSHDSACASA-N 0 0 294.307 1.129 20 5 CDBDRN CCCc1[nH]nc(C(=O)Nc2ccccn2)c1[N+](=O)[O-] ZINC000068483593 349069339 /nfs/dbraw/zinc/06/93/39/349069339.db2.gz MPNCAIXCGAOLFI-UHFFFAOYSA-N 0 0 275.268 1.918 20 5 CDBDRN CCC(CC)(CNc1ncc([N+](=O)[O-])cn1)C(=O)OC ZINC000273978208 192386850 /nfs/dbraw/zinc/38/68/50/192386850.db2.gz QDCUYAYEPULQAX-UHFFFAOYSA-N 0 0 282.300 1.776 20 5 CDBDRN Cn1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000111548945 349230262 /nfs/dbraw/zinc/23/02/62/349230262.db2.gz WFNCHLWANWWBLQ-UHFFFAOYSA-N 0 0 295.682 1.157 20 5 CDBDRN Cc1ccc(NC(=O)C(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000618171340 349392588 /nfs/dbraw/zinc/39/25/88/349392588.db2.gz NHQGVWVAGXNJHQ-UHFFFAOYSA-N 0 0 265.269 1.353 20 5 CDBDRN Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000090679738 180023043 /nfs/dbraw/zinc/02/30/43/180023043.db2.gz VPHFZKLHBAEGKX-MRVPVSSYSA-N 0 0 292.251 1.857 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000271273279 191043365 /nfs/dbraw/zinc/04/33/65/191043365.db2.gz NTKPFGPRSVXUIF-BDAKNGLRSA-N 0 0 296.327 1.568 20 5 CDBDRN COc1ncccc1CCNc1c([N+](=O)[O-])ncn1C ZINC000290919639 197859335 /nfs/dbraw/zinc/85/93/35/197859335.db2.gz XIKGFUVIIMQGNG-UHFFFAOYSA-N 0 0 277.284 1.387 20 5 CDBDRN Cn1nc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1C1CC1 ZINC000290940710 197866374 /nfs/dbraw/zinc/86/63/74/197866374.db2.gz OIWNXHWMMPSHDX-UHFFFAOYSA-N 0 0 276.256 1.181 20 5 CDBDRN CCNC(=O)CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000110667465 350247759 /nfs/dbraw/zinc/24/77/59/350247759.db2.gz JKDOJBVHGUJIAG-UHFFFAOYSA-N 0 0 279.296 1.127 20 5 CDBDRN CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000290975950 197875764 /nfs/dbraw/zinc/87/57/64/197875764.db2.gz PJAMYLDSEMTISZ-UHFFFAOYSA-N 0 0 255.249 1.590 20 5 CDBDRN O=C(COc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000092251504 180353266 /nfs/dbraw/zinc/35/32/66/180353266.db2.gz UXQDZFSDXLVMKY-UHFFFAOYSA-N 0 0 266.253 1.364 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252877022 350474753 /nfs/dbraw/zinc/47/47/53/350474753.db2.gz WMKUSTHJNCNYSQ-FPMFFAJLSA-N 0 0 290.319 1.367 20 5 CDBDRN COC[C@@H]1CCCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000364129496 362958710 /nfs/dbraw/zinc/95/87/10/362958710.db2.gz SNKKBNABLDZWQJ-SECBINFHSA-N 0 0 281.316 1.050 20 5 CDBDRN Cc1cc(OCC(=O)N(C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000291080300 197910135 /nfs/dbraw/zinc/91/01/35/197910135.db2.gz UURARBRLFGTPKG-SNVBAGLBSA-N 0 0 282.296 1.121 20 5 CDBDRN CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000107187712 186162173 /nfs/dbraw/zinc/16/21/73/186162173.db2.gz BRKFIGRDJPDCKS-SNVBAGLBSA-N 0 0 299.714 1.488 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCc1nnc(C)s1 ZINC000291122892 197924125 /nfs/dbraw/zinc/92/41/25/197924125.db2.gz MJXWBKKHXYTMFX-UHFFFAOYSA-N 0 0 296.356 1.934 20 5 CDBDRN 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C[C@H](C(=O)N1CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000889147577 617811032 /nfs/dbraw/zinc/81/10/32/617811032.db2.gz KDSUFHQXAOQEKF-WPRPVWTQSA-N 0 0 282.271 1.431 20 5 CDBDRN CC(C)(CCC(=O)OCCC1(O)CCC1)[N+](=O)[O-] ZINC000840581525 617819126 /nfs/dbraw/zinc/81/91/26/617819126.db2.gz YNJJNRVKLAZCGC-UHFFFAOYSA-N 0 0 259.302 1.670 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCCCCO ZINC000220675113 617841204 /nfs/dbraw/zinc/84/12/04/617841204.db2.gz ODLQPJZHDODVQX-UHFFFAOYSA-N 0 0 253.254 1.453 20 5 CDBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]2C2CCCC2)n1 ZINC000889405426 617881776 /nfs/dbraw/zinc/88/17/76/617881776.db2.gz PJADVXQKCTXSNK-SNVBAGLBSA-N 0 0 278.312 1.733 20 5 CDBDRN CCOC(=O)CCN(C)c1ncc([N+](=O)[O-])cc1OC ZINC000892947827 617955069 /nfs/dbraw/zinc/95/50/69/617955069.db2.gz HUFOAACOXBXINX-UHFFFAOYSA-N 0 0 283.284 1.388 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1Cc2cccc(O)c2C1 ZINC000893488504 617985260 /nfs/dbraw/zinc/98/52/60/617985260.db2.gz RWMBZZMFVBBGTE-VIFPVBQESA-N 0 0 274.280 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CO[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C12CCC2 ZINC000894166162 618644575 /nfs/dbraw/zinc/64/45/75/618644575.db2.gz HYICHCKYLFSFMD-UWVGGRQHSA-N 0 0 266.301 1.698 20 5 CDBDRN O=[N+]([O-])c1c2nonc2ccc1N1CCO[C@@H](CF)C1 ZINC000894182219 618665691 /nfs/dbraw/zinc/66/56/91/618665691.db2.gz YYCDRHDUVVWRRH-ZETCQYMHSA-N 0 0 282.231 1.306 20 5 CDBDRN Cc1sc(C(=O)N[C@]23C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000894191458 618684043 /nfs/dbraw/zinc/68/40/43/618684043.db2.gz KXZPJVOFDCOAAI-CPCISQLKSA-N 0 0 268.294 1.483 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(-n2ccnn2)cc1 ZINC000814045347 618697513 /nfs/dbraw/zinc/69/75/13/618697513.db2.gz QCHPKLPASXTPEI-SECBINFHSA-N 0 0 276.252 1.089 20 5 CDBDRN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCc2ccc(F)c(F)c21 ZINC000841170334 618745146 /nfs/dbraw/zinc/74/51/46/618745146.db2.gz ZZTSYSQIMZWFQG-PSASIEDQSA-N 0 0 282.246 1.909 20 5 CDBDRN O=C(COC(=O)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016118734 618758427 /nfs/dbraw/zinc/75/84/27/618758427.db2.gz SVISJBVZMGZMSI-UHFFFAOYSA-N 0 0 290.275 1.437 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N[C@H](C1CC1)C1CCOCC1 ZINC000894387161 618842661 /nfs/dbraw/zinc/84/26/61/618842661.db2.gz JYERQBDURABIKW-GFCCVEGCSA-N 0 0 280.328 1.945 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CC[C@@]2(CC2(F)F)C1 ZINC000894408563 618867194 /nfs/dbraw/zinc/86/71/94/618867194.db2.gz SWBUAEOTAKSVAL-SECBINFHSA-N 0 0 258.228 1.564 20 5 CDBDRN CCC(C)(C)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000894428297 618881956 /nfs/dbraw/zinc/88/19/56/618881956.db2.gz OZDOBKGZOGDCHT-UHFFFAOYSA-N 0 0 281.360 1.639 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C(C)=O)C1 ZINC000894675037 619014954 /nfs/dbraw/zinc/01/49/54/619014954.db2.gz DIDPZWXWUSKTOJ-SECBINFHSA-N 0 0 280.284 1.031 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](C(C)(C)O)C1 ZINC000895065611 619252447 /nfs/dbraw/zinc/25/24/47/619252447.db2.gz ZTEYKBWFHBRLRV-VIFPVBQESA-N 0 0 268.317 1.316 20 5 CDBDRN C[C@@H]1NC(=O)[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000895117878 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O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1C[C@H](CO)C1 ZINC000896690086 620194294 /nfs/dbraw/zinc/19/42/94/620194294.db2.gz MCPQVGSJESGMQV-FKQCQYRASA-N 0 0 257.677 1.826 20 5 CDBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccno1 ZINC000896813016 620239012 /nfs/dbraw/zinc/23/90/12/620239012.db2.gz UIQZOARJSNEFTC-UHFFFAOYSA-N 0 0 263.209 1.522 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000897055617 620361173 /nfs/dbraw/zinc/36/11/73/620361173.db2.gz QZBJMNTYBDHULT-GXTWGEPZSA-N 0 0 278.308 1.897 20 5 CDBDRN C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(C)(C)O ZINC000897330511 620506712 /nfs/dbraw/zinc/50/67/12/620506712.db2.gz VTGWKKUQRHOZSM-QMMMGPOBSA-N 0 0 264.285 1.814 20 5 CDBDRN Nc1ccc(C(=O)NCCc2cccnc2)cc1[N+](=O)[O-] ZINC000022992716 620557515 /nfs/dbraw/zinc/55/75/15/620557515.db2.gz RNCMASFQBQVFPY-UHFFFAOYSA-N 0 0 286.291 1.545 20 5 CDBDRN O=C1NCCCc2cc(OCC[N+](=O)[O-])ccc21 ZINC000899227454 622104086 /nfs/dbraw/zinc/10/40/86/622104086.db2.gz LWFOTEVTUXDJSX-UHFFFAOYSA-N 0 0 250.254 1.018 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O=[N+]([O-])c1c(N2CC[C@H](c3nnc[nH]3)C2)nc2ccccn21 ZINC000819948696 738332990 /nfs/dbraw/zinc/33/29/90/738332990.db2.gz NBDYAHOAMZANKF-VIFPVBQESA-N 0 0 299.294 1.355 20 5 CDBDRN CC1(C)OCC(Nc2c(Cl)cncc2[N+](=O)[O-])CO1 ZINC000853478688 738342805 /nfs/dbraw/zinc/34/28/05/738342805.db2.gz VFTCTTFDIWMDIF-UHFFFAOYSA-N 0 0 287.703 1.629 20 5 CDBDRN O=[N+]([O-])c1cnn(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000840094236 738346616 /nfs/dbraw/zinc/34/66/16/738346616.db2.gz BHJFGLKZTKCTDS-STQMWFEESA-N 0 0 278.312 1.392 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCCOC1 ZINC000102708132 738348656 /nfs/dbraw/zinc/34/86/56/738348656.db2.gz HWSYDQDOBZIFTQ-SNVBAGLBSA-N 0 0 283.284 1.070 20 5 CDBDRN CCOC(=O)[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147840 738361058 /nfs/dbraw/zinc/36/10/58/738361058.db2.gz WPHGRXFMTNLWGJ-SECBINFHSA-N 0 0 280.280 1.585 20 5 CDBDRN C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787119393 738556167 /nfs/dbraw/zinc/55/61/67/738556167.db2.gz 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CC1=C(C)C[C@@H](C(=O)OCCn2cnc([N+](=O)[O-])n2)CC1 ZINC000842729211 738710643 /nfs/dbraw/zinc/71/06/43/738710643.db2.gz ICLLJQAWSSNKPK-NSHDSACASA-N 0 0 294.311 1.866 20 5 CDBDRN CO[C@@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCOC1 ZINC000123076994 738715565 /nfs/dbraw/zinc/71/55/65/738715565.db2.gz BPSWCKWAPZGRON-GFCCVEGCSA-N 0 0 294.267 1.348 20 5 CDBDRN CCOC(=O)C[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000851520371 738717386 /nfs/dbraw/zinc/71/73/86/738717386.db2.gz WXPLMZHKOXBPSM-SECBINFHSA-N 0 0 275.301 1.707 20 5 CDBDRN CCC(=O)N1CCC(N(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001068630128 738720306 /nfs/dbraw/zinc/72/03/06/738720306.db2.gz PHFOPYWDAFCBGU-UHFFFAOYSA-N 0 0 292.339 1.827 20 5 CDBDRN COCCONC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000313164182 738734027 /nfs/dbraw/zinc/73/40/27/738734027.db2.gz TUMWAANTSCOVQG-UHFFFAOYSA-N 0 0 290.222 1.489 20 5 CDBDRN CC(C)OCCONc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000853641899 738748665 /nfs/dbraw/zinc/74/86/65/738748665.db2.gz YZDQKKMPXWRHPF-UHFFFAOYSA-N 0 0 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ZINC000593613863 342819075 /nfs/dbraw/zinc/81/90/75/342819075.db2.gz MXKCZHZHCARQCK-JDGPPOGSSA-N 0 0 296.298 1.720 20 5 CDBDRN COC(=O)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078385433 342204038 /nfs/dbraw/zinc/20/40/38/342204038.db2.gz KAELGXHROUADAO-QMMMGPOBSA-N 0 0 281.268 1.668 20 5 CDBDRN CCc1nn(C)c(N[C@H](CO)CCF)c1[N+](=O)[O-] ZINC000593510057 342805089 /nfs/dbraw/zinc/80/50/89/342805089.db2.gz RUDOBYUZTYRZTK-ZETCQYMHSA-N 0 0 260.269 1.023 20 5 CDBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)CO1 ZINC000593807521 342837498 /nfs/dbraw/zinc/83/74/98/342837498.db2.gz PQSMLPAKKQPSMI-BDAKNGLRSA-N 0 0 267.285 1.562 20 5 CDBDRN NC(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000080681710 342212147 /nfs/dbraw/zinc/21/21/47/342212147.db2.gz CPXVQMCZDJNIEY-JTQLQIEISA-N 0 0 263.297 1.687 20 5 CDBDRN C[C@@H](C(=O)N[C@H]1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000573278127 361980943 /nfs/dbraw/zinc/98/09/43/361980943.db2.gz TXMKNYJRGRYQPY-SKDRFNHKSA-N 0 0 291.307 1.045 20 5 CDBDRN 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O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1CCO ZINC000336787899 356262249 /nfs/dbraw/zinc/26/22/49/356262249.db2.gz NCXJIHPDJNNLLU-SECBINFHSA-N 0 0 271.704 1.994 20 5 CDBDRN O=C1OC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN12 ZINC000493425242 356267092 /nfs/dbraw/zinc/26/70/92/356267092.db2.gz JQDIOBMUXXVLNJ-NSHDSACASA-N 0 0 295.270 1.370 20 5 CDBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000273515370 192183423 /nfs/dbraw/zinc/18/34/23/192183423.db2.gz XQYUCCTVIDQLCA-SECBINFHSA-N 0 0 283.259 1.987 20 5 CDBDRN CC(C)(O)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000336811445 356271842 /nfs/dbraw/zinc/27/18/42/356271842.db2.gz NANMROQJEFBDHU-UHFFFAOYSA-N 0 0 270.260 1.625 20 5 CDBDRN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@](F)(CO)C2)c1 ZINC000286389464 356279832 /nfs/dbraw/zinc/27/98/32/356279832.db2.gz KXCLBJNFIWJUBR-LBPRGKRZSA-N 0 0 269.276 1.478 20 5 CDBDRN C[C@H](O)C[C@@H]1CCCCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286312393 356248610 /nfs/dbraw/zinc/24/86/10/356248610.db2.gz 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/nfs/dbraw/zinc/46/04/01/252460401.db2.gz CTVCHGPRCJDIKV-VIFPVBQESA-N 0 0 268.269 1.829 20 5 CDBDRN C[C@H]1COCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000371324077 374416417 /nfs/dbraw/zinc/41/64/17/374416417.db2.gz UJBGEDVVHKGNLE-LLVKDONJSA-N 0 0 294.307 1.469 20 5 CDBDRN Cc1cncc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000079687371 374421417 /nfs/dbraw/zinc/42/14/17/374421417.db2.gz AJWIMMMQKMROMY-UHFFFAOYSA-N 0 0 288.263 1.099 20 5 CDBDRN C[C@H](O)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000080050074 374439366 /nfs/dbraw/zinc/43/93/66/374439366.db2.gz YIDXHYWZZVPJCL-VIFPVBQESA-N 0 0 252.270 1.024 20 5 CDBDRN CC(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116269080 374461379 /nfs/dbraw/zinc/46/13/79/374461379.db2.gz VOYJASDBRVEDRV-UHFFFAOYSA-N 0 0 297.742 1.912 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ncc[nH]1 ZINC000080624210 374474494 /nfs/dbraw/zinc/47/44/94/374474494.db2.gz BSPFMTGGAXBFPD-UHFFFAOYSA-N 0 0 296.308 1.105 20 5 CDBDRN COc1cc(C(=O)NCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000081431527 374505876 /nfs/dbraw/zinc/50/58/76/374505876.db2.gz GRNKFKURFLADHM-UHFFFAOYSA-N 0 0 280.280 1.248 20 5 CDBDRN Cc1nn(C)c(N2CC[C@@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000377981862 374626979 /nfs/dbraw/zinc/62/69/79/374626979.db2.gz FCSOVYNHPMNLPP-CYBMUJFWSA-N 0 0 282.344 1.482 20 5 CDBDRN CC[C@@H]1CN(c2cccc(OC)c2[N+](=O)[O-])C[C@H]1O ZINC000274682164 374679941 /nfs/dbraw/zinc/67/99/41/374679941.db2.gz IQLUFPMTSVALQD-MWLCHTKSSA-N 0 0 266.297 1.811 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@]1(C)CCCO1 ZINC000123603308 374688100 /nfs/dbraw/zinc/68/81/00/374688100.db2.gz AZUVQIUIGYZHQN-ZDUSSCGKSA-N 0 0 296.327 1.175 20 5 CDBDRN CCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018703976 374688171 /nfs/dbraw/zinc/68/81/71/374688171.db2.gz JJTCBOIIXIRKTA-ZETCQYMHSA-N 0 0 299.714 1.503 20 5 CDBDRN CCOC1CC(CCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000276808838 374750348 /nfs/dbraw/zinc/75/03/48/374750348.db2.gz BUQFRTLRYFEITM-UHFFFAOYSA-N 0 0 296.327 1.561 20 5 CDBDRN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1COC1 ZINC000449423145 374807474 /nfs/dbraw/zinc/80/74/74/374807474.db2.gz GPFMCMLXMSBHGB-UHFFFAOYSA-N 0 0 266.297 1.824 20 5 CDBDRN CCO[C@H](C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278152932 374833002 /nfs/dbraw/zinc/83/30/02/374833002.db2.gz ONPASUKVLUJNPC-MRVPVSSYSA-N 0 0 292.295 1.512 20 5 CDBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000277404123 374786151 /nfs/dbraw/zinc/78/61/51/374786151.db2.gz SDGTYAGDTGGTHX-NSHDSACASA-N 0 0 294.307 1.854 20 5 CDBDRN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277495681 374790248 /nfs/dbraw/zinc/79/02/48/374790248.db2.gz NRKUEBCIUBLUAR-NSPYISDASA-N 0 0 282.365 1.795 20 5 CDBDRN CC(C)[C@H](C)N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330556453 374864524 /nfs/dbraw/zinc/86/45/24/374864524.db2.gz HLPVPRMYHFEJQA-QMMMGPOBSA-N 0 0 254.290 1.445 20 5 CDBDRN COc1c(C(=O)N2[C@H](C)COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000331053428 374883263 /nfs/dbraw/zinc/88/32/63/374883263.db2.gz JKQCOBPATAVJAN-NXEZZACHSA-N 0 0 294.307 1.853 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000124730102 374841989 /nfs/dbraw/zinc/84/19/89/374841989.db2.gz VDXMRDPZORJIJW-SUHUHFCYSA-N 0 0 290.319 1.746 20 5 CDBDRN CC(C)(C)n1ncnc1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330402000 374848685 /nfs/dbraw/zinc/84/86/85/374848685.db2.gz FQXVZTCNACGYLC-UHFFFAOYSA-N 0 0 277.284 1.151 20 5 CDBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1O ZINC000330528046 374860680 /nfs/dbraw/zinc/86/06/80/374860680.db2.gz RHNPYFHCGLBQNL-JOYOIKCWSA-N 0 0 279.296 1.141 20 5 CDBDRN Cc1ccc(C(=O)N2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000279548378 374921505 /nfs/dbraw/zinc/92/15/05/374921505.db2.gz IZEVEAOHYOPMKT-UHFFFAOYSA-N 0 0 289.291 1.308 20 5 CDBDRN C[C@@H]1CCCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000331491635 374963887 /nfs/dbraw/zinc/96/38/87/374963887.db2.gz KPQOIPDBZXEKHH-LLVKDONJSA-N 0 0 295.343 1.765 20 5 CDBDRN CC(C)(O)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000087029522 374963905 /nfs/dbraw/zinc/96/39/05/374963905.db2.gz XBONMMQHAOTYTN-UHFFFAOYSA-N 0 0 262.269 1.721 20 5 CDBDRN CO[C@]1(C)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000279827315 374966241 /nfs/dbraw/zinc/96/62/41/374966241.db2.gz AUTMABWJSWKYBP-CYBMUJFWSA-N 0 0 296.327 1.209 20 5 CDBDRN CCC[C@@]1(C)CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000331226655 374910348 /nfs/dbraw/zinc/91/03/48/374910348.db2.gz FMKFQHXINRCSHE-ZDUSSCGKSA-N 0 0 295.343 1.615 20 5 CDBDRN CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331241996 374913288 /nfs/dbraw/zinc/91/32/88/374913288.db2.gz NULDXIPSHVDCCT-LLVKDONJSA-N 0 0 293.323 1.467 20 5 CDBDRN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1CO ZINC000331568014 374974563 /nfs/dbraw/zinc/97/45/63/374974563.db2.gz VUYQXNFINHLBCK-NOZJJQNGSA-N 0 0 290.323 1.674 20 5 CDBDRN Cc1n[nH]c(C(=O)N(C)Cc2ccoc2C)c1[N+](=O)[O-] ZINC000299554293 374980579 /nfs/dbraw/zinc/98/05/79/374980579.db2.gz RREQTEMQTPXUOU-UHFFFAOYSA-N 0 0 278.268 1.800 20 5 CDBDRN CSCCONC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000280269120 374987806 /nfs/dbraw/zinc/98/78/06/374987806.db2.gz NDKLNSLFFXKZLF-UHFFFAOYSA-N 0 0 299.352 1.731 20 5 CDBDRN CCC(=O)c1ccc(N[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000280767395 375020702 /nfs/dbraw/zinc/02/07/02/375020702.db2.gz RKRYFEVNGMRWMB-LLVKDONJSA-N 0 0 291.307 1.830 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1Cc1ncnn1C(C)C ZINC000332691190 375042922 /nfs/dbraw/zinc/04/29/22/375042922.db2.gz VMURKJBPHSLRGR-UHFFFAOYSA-N 0 0 250.262 1.320 20 5 CDBDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000282868899 375104199 /nfs/dbraw/zinc/10/41/99/375104199.db2.gz RJQOVHQQDUBPNA-VIFPVBQESA-N 0 0 290.279 1.729 20 5 CDBDRN CCN(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332672346 375043573 /nfs/dbraw/zinc/04/35/73/375043573.db2.gz CBVICUYMKWRBSX-UHFFFAOYSA-N 0 0 280.280 1.387 20 5 CDBDRN CCN(C)C(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332703370 375044467 /nfs/dbraw/zinc/04/44/67/375044467.db2.gz WDVAHOHFQRMHGR-UHFFFAOYSA-N 0 0 277.324 1.431 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CO ZINC000282094595 375065138 /nfs/dbraw/zinc/06/51/38/375065138.db2.gz YTFDWGVHAUJSFU-MRVPVSSYSA-N 0 0 283.284 1.496 20 5 CDBDRN CCOCCN(CC)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284153577 375131235 /nfs/dbraw/zinc/13/12/35/375131235.db2.gz WRNQXTOCNOQGDL-UHFFFAOYSA-N 0 0 299.302 1.815 20 5 CDBDRN COCCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284161046 375131745 /nfs/dbraw/zinc/13/17/45/375131745.db2.gz SFHZEZHVWRITHC-UHFFFAOYSA-N 0 0 294.716 1.636 20 5 CDBDRN O=[N+]([O-])c1ccccc1OCc1nnnn1C1CC1 ZINC000128534093 375136783 /nfs/dbraw/zinc/13/67/83/375136783.db2.gz BRFDMFPPIRSGTH-UHFFFAOYSA-N 0 0 261.241 1.495 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC(F)(F)C1 ZINC000288618233 296226330 /nfs/dbraw/zinc/22/63/30/296226330.db2.gz RHVMXXKQMQHGAI-UHFFFAOYSA-N 0 0 286.234 1.703 20 5 CDBDRN CCCN(CC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000299437159 375171916 /nfs/dbraw/zinc/17/19/16/375171916.db2.gz OWQPVLRXFKCLKJ-UHFFFAOYSA-N 0 0 279.296 1.792 20 5 CDBDRN Cc1ccc(N2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000302727305 375242673 /nfs/dbraw/zinc/24/26/73/375242673.db2.gz KJIILJLYOIXMJZ-MFKMUULPSA-N 0 0 266.297 1.083 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@H](CO)C1 ZINC000302778375 375250579 /nfs/dbraw/zinc/25/05/79/375250579.db2.gz PXIJHPZGDYVOSN-GWCFXTLKSA-N 0 0 296.323 1.327 20 5 CDBDRN COC[C@@H](CCO)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000225744874 375194360 /nfs/dbraw/zinc/19/43/60/375194360.db2.gz PHEKJKKMMMYXFE-NNNHXZLVSA-N 0 0 294.307 1.122 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000131237194 375197191 /nfs/dbraw/zinc/19/71/91/375197191.db2.gz PTDFJCKBLCGQRP-AOOOYVTPSA-N 0 0 296.327 1.126 20 5 CDBDRN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[C@@H]3CCO)nn21 ZINC000302446647 375204151 /nfs/dbraw/zinc/20/41/51/375204151.db2.gz OFHQPHYECPFWMF-ZJUUUORDSA-N 0 0 291.311 1.601 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1Oc1ccc(S(C)(=O)=O)cc1 ZINC000048381250 375298130 /nfs/dbraw/zinc/29/81/30/375298130.db2.gz NSSANTCIWYMQQF-UHFFFAOYSA-N 0 0 297.292 1.524 20 5 CDBDRN Cc1ccn(CCOCC2CC2)c(=O)c1[N+](=O)[O-] ZINC000351692508 375320717 /nfs/dbraw/zinc/32/07/17/375320717.db2.gz HYMCFTULXQOTPA-UHFFFAOYSA-N 0 0 252.270 1.492 20 5 CDBDRN CCOC(=O)COCCSc1ccc([N+](=O)[O-])cn1 ZINC000351697868 375321899 /nfs/dbraw/zinc/32/18/99/375321899.db2.gz SAIFHFZMNADGDI-UHFFFAOYSA-N 0 0 286.309 1.662 20 5 CDBDRN CCN(CC)C(=O)CCCNc1c([N+](=O)[O-])ncn1C ZINC000048560205 375321789 /nfs/dbraw/zinc/32/17/89/375321789.db2.gz CMBPNOUIXGJQMI-UHFFFAOYSA-N 0 0 283.332 1.389 20 5 CDBDRN COC(=O)[C@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047953245 375261616 /nfs/dbraw/zinc/26/16/16/375261616.db2.gz VPTDQGUBDGPCJD-SECBINFHSA-N 0 0 280.280 1.476 20 5 CDBDRN Cn1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000293864875 375265084 /nfs/dbraw/zinc/26/50/84/375265084.db2.gz DOLIQIWWQQQFKH-UHFFFAOYSA-N 0 0 288.307 1.993 20 5 CDBDRN O=[N+]([O-])c1ncn(Cc2ncc(-c3ccccc3)o2)n1 ZINC000048603088 375330854 /nfs/dbraw/zinc/33/08/54/375330854.db2.gz UXVKNBCVDKJNJP-UHFFFAOYSA-N 0 0 271.236 1.890 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCn3ncnc3C2)c(F)c1 ZINC000351930727 375342536 /nfs/dbraw/zinc/34/25/36/375342536.db2.gz KYLADPAQGMUAAM-UHFFFAOYSA-N 0 0 277.259 1.341 20 5 CDBDRN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000351925162 375342906 /nfs/dbraw/zinc/34/29/06/375342906.db2.gz KGWMJPZZDSOBIK-BIBXISHDSA-N 0 0 298.364 1.426 20 5 CDBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H](O)C1 ZINC000352104880 375353827 /nfs/dbraw/zinc/35/38/27/375353827.db2.gz GXIDVAKJWOVEDM-QWHCGFSZSA-N 0 0 292.335 1.805 20 5 CDBDRN C[C@@H]1CO[C@@H](CO)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000131911481 375377460 /nfs/dbraw/zinc/37/74/60/375377460.db2.gz OYORJWQKEZLWLN-VXNVDRBHSA-N 0 0 287.703 1.229 20 5 CDBDRN C[C@H]1CO[C@@H](CO)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000131911666 375377625 /nfs/dbraw/zinc/37/76/25/375377625.db2.gz OYORJWQKEZLWLN-IONNQARKSA-N 0 0 287.703 1.229 20 5 CDBDRN 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/nfs/dbraw/zinc/35/55/62/277355562.db2.gz PCDSNCMBCCYHMR-MZFCOBPBSA-N 0 0 281.337 1.911 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N[C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000271244786 278002800 /nfs/dbraw/zinc/00/28/00/278002800.db2.gz GTOUBUVPWOLNKN-BDAKNGLRSA-N 0 0 296.327 1.739 20 5 CDBDRN C[C@H](O)[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347407633 278299834 /nfs/dbraw/zinc/29/98/34/278299834.db2.gz APMKOLZPRKOCOX-VHSXEESVSA-N 0 0 288.307 1.745 20 5 CDBDRN CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000313758588 278342901 /nfs/dbraw/zinc/34/29/01/278342901.db2.gz SRJCTKODBISPPV-LBPRGKRZSA-N 0 0 293.323 1.291 20 5 CDBDRN CC1(C)CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1O ZINC000279343368 278343776 /nfs/dbraw/zinc/34/37/76/278343776.db2.gz FAEFWCNQECDRQW-JTQLQIEISA-N 0 0 254.261 1.941 20 5 CDBDRN C[C@H]1CCSCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000276844511 278376687 /nfs/dbraw/zinc/37/66/87/278376687.db2.gz QGRKQWNQCWXTAF-ZETCQYMHSA-N 0 0 269.330 1.299 20 5 CDBDRN C[C@H]1CC[S@](=O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000373024094 278386392 /nfs/dbraw/zinc/38/63/92/278386392.db2.gz XETLJDWADZSQEB-WLRWDXFRSA-N 0 0 282.365 1.938 20 5 CDBDRN Cc1nc(N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268512119 279094823 /nfs/dbraw/zinc/09/48/23/279094823.db2.gz SBDXKGMAOWNOPJ-IUCAKERBSA-N 0 0 251.286 1.912 20 5 CDBDRN CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000030288517 279137809 /nfs/dbraw/zinc/13/78/09/279137809.db2.gz LZLFUFPLFVBHAL-UHFFFAOYSA-N 0 0 272.326 1.982 20 5 CDBDRN O=C(CCN1CCOC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048924207 279165011 /nfs/dbraw/zinc/16/50/11/279165011.db2.gz PCLIWCVSGKHEBM-UHFFFAOYSA-N 0 0 279.252 1.376 20 5 CDBDRN CCOCCCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000053318297 279183327 /nfs/dbraw/zinc/18/33/27/279183327.db2.gz VONJVQXZXLINHE-UHFFFAOYSA-N 0 0 296.323 1.907 20 5 CDBDRN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000055467080 279186204 /nfs/dbraw/zinc/18/62/04/279186204.db2.gz GZPDCVSXOZEAHO-ONGXEEELSA-N 0 0 291.307 1.250 20 5 CDBDRN COc1cc(C)ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065653793 279199199 /nfs/dbraw/zinc/19/91/99/279199199.db2.gz LNZFHWDWTRATOL-UHFFFAOYSA-N 0 0 291.267 1.142 20 5 CDBDRN CC(C)C[C@H]1C(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000189823319 279201714 /nfs/dbraw/zinc/20/17/14/279201714.db2.gz KRLUMGPTHXNUOV-AWEZNQCLSA-N 0 0 291.351 1.941 20 5 CDBDRN COC(=O)NCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000107435413 279301193 /nfs/dbraw/zinc/30/11/93/279301193.db2.gz SHWOWROVYUJPAR-UHFFFAOYSA-N 0 0 295.295 1.896 20 5 CDBDRN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000119300288 279360630 /nfs/dbraw/zinc/36/06/30/279360630.db2.gz MVLRXUQTOKIVEI-UHFFFAOYSA-N 0 0 272.264 1.623 20 5 CDBDRN Cc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1F ZINC000122206415 279415275 /nfs/dbraw/zinc/41/52/75/279415275.db2.gz ZTIPFBPBGRDNRW-UHFFFAOYSA-N 0 0 292.270 1.669 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccccc1 ZINC000128405388 279565402 /nfs/dbraw/zinc/56/54/02/279565402.db2.gz UYLOFEFPDUSMBP-UHFFFAOYSA-N 0 0 289.295 1.291 20 5 CDBDRN CCOC(=O)[C@H](C)N(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000354347031 279606312 /nfs/dbraw/zinc/60/63/12/279606312.db2.gz BDQAMNVTSLFGQE-JTQLQIEISA-N 0 0 294.307 1.927 20 5 CDBDRN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1C[NH3+] ZINC000262022978 279664555 /nfs/dbraw/zinc/66/45/55/279664555.db2.gz YNNQCHFRKFKUKD-JOYOIKCWSA-N 0 0 293.323 1.500 20 5 CDBDRN Nc1c(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000249210070 279693786 /nfs/dbraw/zinc/69/37/86/279693786.db2.gz SJAFMTNYXGWBTI-MKPLZMMCSA-N 0 0 291.307 1.474 20 5 CDBDRN Nc1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000154664403 279697775 /nfs/dbraw/zinc/69/77/75/279697775.db2.gz JJSZVHRSCOLWBN-CQSZACIVSA-N 0 0 291.307 1.430 20 5 CDBDRN Nc1nc(N2CCC[C@@H]2[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000286386467 279707836 /nfs/dbraw/zinc/70/78/36/279707836.db2.gz IXLUMGOGCRKCKK-PSASIEDQSA-N 0 0 279.300 1.115 20 5 CDBDRN CC(C)[C@@H](Sc1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O ZINC000337934462 279924982 /nfs/dbraw/zinc/92/49/82/279924982.db2.gz DYBWCLMBZXZELS-SNVBAGLBSA-N 0 0 297.336 1.906 20 5 CDBDRN COCCO[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000193553894 280000313 /nfs/dbraw/zinc/00/03/13/280000313.db2.gz NQVFBGBQHHKELC-SECBINFHSA-N 0 0 287.341 1.683 20 5 CDBDRN CCc1nn(C)c(NCCCOC(F)F)c1[N+](=O)[O-] ZINC000193620419 280005008 /nfs/dbraw/zinc/00/50/08/280005008.db2.gz SGQHQRLLSPXMNU-UHFFFAOYSA-N 0 0 278.259 1.932 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCCC(=O)N1 ZINC000281091669 280010516 /nfs/dbraw/zinc/01/05/16/280010516.db2.gz DXHVZEQJZRBTAT-JTQLQIEISA-N 0 0 295.270 1.731 20 5 CDBDRN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1=O ZINC000194784248 280055655 /nfs/dbraw/zinc/05/56/55/280055655.db2.gz CGTIHORAAPAQMG-UHFFFAOYSA-N 0 0 263.209 1.139 20 5 CDBDRN CC[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357310055 288219475 /nfs/dbraw/zinc/21/94/75/288219475.db2.gz YFROYGUYLLBTKY-VIFPVBQESA-N 0 0 278.312 1.715 20 5 CDBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000152799987 280311653 /nfs/dbraw/zinc/31/16/53/280311653.db2.gz ULNKNJNSNPMOCY-SECBINFHSA-N 0 0 299.352 1.479 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H](O)C[C@H]1CO ZINC000248393436 280358043 /nfs/dbraw/zinc/35/80/43/280358043.db2.gz LSXPJOVPKZYPNH-WDEREUQCSA-N 0 0 286.715 1.176 20 5 CDBDRN C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000269021132 280546372 /nfs/dbraw/zinc/54/63/72/280546372.db2.gz FGGTZEGSKNYEKP-AOOOYVTPSA-N 0 0 281.316 1.089 20 5 CDBDRN C[C@H](O)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000305191213 280610537 /nfs/dbraw/zinc/61/05/37/280610537.db2.gz CZJQBIKURRAWAV-JQWIXIFHSA-N 0 0 278.308 1.828 20 5 CDBDRN CC[C@@]1(CO)CCCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302390982 280656032 /nfs/dbraw/zinc/65/60/32/280656032.db2.gz IIWTXYAJNBNTCO-CYBMUJFWSA-N 0 0 282.344 1.626 20 5 CDBDRN COC(=O)[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H]1C(C)C ZINC000488778235 280825227 /nfs/dbraw/zinc/82/52/27/280825227.db2.gz RSCMKYIAEUOMBS-UWVGGRQHSA-N 0 0 296.327 1.352 20 5 CDBDRN Nc1nc(SCC(=O)C2CCCC2)ncc1[N+](=O)[O-] ZINC000514949284 280863576 /nfs/dbraw/zinc/86/35/76/280863576.db2.gz CTYGBQLNHBXNGP-UHFFFAOYSA-N 0 0 282.325 1.649 20 5 CDBDRN CCCc1n[nH]c(C(=O)NCc2cc(C)on2)c1[N+](=O)[O-] ZINC000521051958 281067504 /nfs/dbraw/zinc/06/75/04/281067504.db2.gz RPIFLVIKCUDMSX-UHFFFAOYSA-N 0 0 293.283 1.497 20 5 CDBDRN CC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356474093 281079725 /nfs/dbraw/zinc/07/97/25/281079725.db2.gz FFCFMUNDSWLAEJ-QMMMGPOBSA-N 0 0 252.274 1.343 20 5 CDBDRN COc1ccc(CC(=O)N2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000530468603 281514911 /nfs/dbraw/zinc/51/49/11/281514911.db2.gz JRXXQXXODJTMJQ-MWLCHTKSSA-N 0 0 294.307 1.128 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](COC)O[C@@H](C)C1 ZINC000248664360 281668740 /nfs/dbraw/zinc/66/87/40/281668740.db2.gz JVDJSYOUCAZSCG-GXSJLCMTSA-N 0 0 298.343 1.360 20 5 CDBDRN CC(C)c1cc(-n2cc([N+](=O)[O-])cn2)n2ncnc2n1 ZINC000531470517 281777000 /nfs/dbraw/zinc/77/70/00/281777000.db2.gz KPBAXQJTZAQCMS-UHFFFAOYSA-N 0 0 273.256 1.342 20 5 CDBDRN Cc1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])n2C)o1 ZINC000532281551 281949285 /nfs/dbraw/zinc/94/92/85/281949285.db2.gz DUBOBDILDDMWHL-LURJTMIESA-N 0 0 279.256 1.116 20 5 CDBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1C=CCCC1 ZINC000532320462 281957429 /nfs/dbraw/zinc/95/74/29/281957429.db2.gz JCMAHOVRNWPMLT-SECBINFHSA-N 0 0 283.309 1.377 20 5 CDBDRN COCC1(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000532696319 282025775 /nfs/dbraw/zinc/02/57/75/282025775.db2.gz SVOTZKQCOFOIOI-UHFFFAOYSA-N 0 0 250.254 1.504 20 5 CDBDRN Nc1c([N+](=O)[O-])cnn1CC(=O)Nc1cccc(Cl)c1 ZINC000152210018 289121924 /nfs/dbraw/zinc/12/19/24/289121924.db2.gz WCPDEGRXRQKWCN-UHFFFAOYSA-N 0 0 295.686 1.666 20 5 CDBDRN CSC[C@@H](CCO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000153075446 289155849 /nfs/dbraw/zinc/15/58/49/289155849.db2.gz AZAOCXDSFBVBFM-LLVKDONJSA-N 0 0 298.364 1.747 20 5 CDBDRN CC(C)N(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC1 ZINC000156224493 289260204 /nfs/dbraw/zinc/26/02/04/289260204.db2.gz GSGDUQOSNPLDMM-UHFFFAOYSA-N 0 0 252.274 1.721 20 5 CDBDRN CCCc1n[nH]c(C(=O)N(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000156984659 289275560 /nfs/dbraw/zinc/27/55/60/289275560.db2.gz IOUHCQGINUXIAZ-UHFFFAOYSA-N 0 0 294.233 1.905 20 5 CDBDRN COCCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000158374627 289307424 /nfs/dbraw/zinc/30/74/24/289307424.db2.gz ZTOHOINEGQOQOP-UHFFFAOYSA-N 0 0 278.211 1.542 20 5 CDBDRN Cn1nccc1/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000254949685 289346580 /nfs/dbraw/zinc/34/65/80/289346580.db2.gz BDIQFMFMIFXQSY-SREVYHEPSA-N 0 0 272.264 1.980 20 5 CDBDRN CCc1nnc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000255063886 289353879 /nfs/dbraw/zinc/35/38/79/289353879.db2.gz BOHGXSOTKNGLPI-SREVYHEPSA-N 0 0 287.279 1.927 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NCCN1CCCC1=O ZINC000405332381 289446711 /nfs/dbraw/zinc/44/67/11/289446711.db2.gz DFTWATFLBSSHRZ-UHFFFAOYSA-N 0 0 263.297 1.938 20 5 CDBDRN C[C@]1(CO)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000546820731 289753388 /nfs/dbraw/zinc/75/33/88/289753388.db2.gz MOQBPNJVBIEUMM-LLVKDONJSA-N 0 0 270.310 1.643 20 5 CDBDRN CN(c1c([N+](=O)[O-])ncn1C)[C@@H](CCO)c1ccccc1 ZINC000266846891 289783142 /nfs/dbraw/zinc/78/31/42/289783142.db2.gz JTFAPBHXEPPPJJ-LBPRGKRZSA-N 0 0 290.323 1.888 20 5 CDBDRN COc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547752076 289804155 /nfs/dbraw/zinc/80/41/55/289804155.db2.gz NFCHVMRJZHTEDO-UHFFFAOYSA-N 0 0 262.225 1.579 20 5 CDBDRN Nc1nccc(C(=O)N2CCCCCC2)c1[N+](=O)[O-] ZINC000548057500 289836019 /nfs/dbraw/zinc/83/60/19/289836019.db2.gz ZXVDGLLKZLHFOE-UHFFFAOYSA-N 0 0 264.285 1.419 20 5 CDBDRN O=C(NCCCF)NCCc1ccccc1[N+](=O)[O-] ZINC000548420940 289882278 /nfs/dbraw/zinc/88/22/78/289882278.db2.gz DLXGHMJDASXGJH-UHFFFAOYSA-N 0 0 269.276 1.796 20 5 CDBDRN Cc1cn(CCOC[C@@H]2CCCO2)nc1[N+](=O)[O-] ZINC000548874250 289941703 /nfs/dbraw/zinc/94/17/03/289941703.db2.gz BZTCVAAJLAVAQK-JTQLQIEISA-N 0 0 255.274 1.295 20 5 CDBDRN C[C@H]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549201997 289960647 /nfs/dbraw/zinc/96/06/47/289960647.db2.gz IXMCCOFUZOCAJI-IUCAKERBSA-N 0 0 266.301 1.874 20 5 CDBDRN C[C@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000549726520 289973906 /nfs/dbraw/zinc/97/39/06/289973906.db2.gz WXRPGIAANNLAOI-ZWNOBZJWSA-N 0 0 294.311 1.253 20 5 CDBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]1[C@H]1CCCO1 ZINC000554616581 290184294 /nfs/dbraw/zinc/18/42/94/290184294.db2.gz NBILLHSTSIQWRL-VHSXEESVSA-N 0 0 280.284 1.102 20 5 CDBDRN CC[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)C ZINC000554859823 290195100 /nfs/dbraw/zinc/19/51/00/290195100.db2.gz IRQSZVVMIGHFRN-MRVPVSSYSA-N 0 0 254.290 1.872 20 5 CDBDRN Cc1nn(C)c(C(=O)N2Cc3cccnc3C2)c1[N+](=O)[O-] ZINC000555531107 290223119 /nfs/dbraw/zinc/22/31/19/290223119.db2.gz WCGBHBKTWQIHQY-UHFFFAOYSA-N 0 0 287.279 1.188 20 5 CDBDRN CCO[C@H]1C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000555975340 290249533 /nfs/dbraw/zinc/24/95/33/290249533.db2.gz DPMQXXWYAGANCF-SCZZXKLOSA-N 0 0 294.263 1.231 20 5 CDBDRN CC[C@@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000556516282 290270975 /nfs/dbraw/zinc/27/09/75/290270975.db2.gz MYNPJGHRXRWPMB-BDAKNGLRSA-N 0 0 251.286 1.709 20 5 CDBDRN C[C@H]1C(=O)N(C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186983341 290298252 /nfs/dbraw/zinc/29/82/52/290298252.db2.gz YJHZTHUXIFQCDC-VIFPVBQESA-N 0 0 297.742 1.911 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncon1 ZINC000560660338 290513103 /nfs/dbraw/zinc/51/31/03/290513103.db2.gz YOTBIJKLMXBJBR-LLVKDONJSA-N 0 0 288.263 1.955 20 5 CDBDRN CO[C@@H]1COC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000565004733 293487428 /nfs/dbraw/zinc/48/74/28/293487428.db2.gz SETVASRGANVTHW-DGCLKSJQSA-N 0 0 294.307 1.355 20 5 CDBDRN Cc1nn(C)c(N2CCOC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000133614683 293742238 /nfs/dbraw/zinc/74/22/38/293742238.db2.gz ZROANYZGJDIINH-UHFFFAOYSA-N 0 0 296.327 1.023 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nccs1 ZINC000568051273 293940800 /nfs/dbraw/zinc/94/08/00/293940800.db2.gz YHCVVURDGXRDIL-ZETCQYMHSA-N 0 0 280.309 1.881 20 5 CDBDRN CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)OC ZINC000570368599 294224465 /nfs/dbraw/zinc/22/44/65/294224465.db2.gz VNCKBOMXDWODAG-SNVBAGLBSA-N 0 0 269.301 1.478 20 5 CDBDRN Cc1csc(N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000570828614 294318283 /nfs/dbraw/zinc/31/82/83/294318283.db2.gz SEWVDMGIWGSRQZ-UHFFFAOYSA-N 0 0 267.270 1.359 20 5 CDBDRN CC(C)N(Cc1cccnc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000572584828 294650867 /nfs/dbraw/zinc/65/08/67/294650867.db2.gz JAKBDGQJCACRHA-UHFFFAOYSA-N 0 0 289.295 1.764 20 5 CDBDRN Cc1ccc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000572659836 294668128 /nfs/dbraw/zinc/66/81/28/294668128.db2.gz QWIFZCCYKBQQPQ-NXEZZACHSA-N 0 0 277.280 1.353 20 5 CDBDRN Cc1nn(C)c(C(=O)N[C@H]2CCC[C@H](F)C2)c1[N+](=O)[O-] ZINC000573726001 294876037 /nfs/dbraw/zinc/87/60/37/294876037.db2.gz HFYIUGQVFZIOMK-IUCAKERBSA-N 0 0 284.291 1.647 20 5 CDBDRN CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573741059 294878882 /nfs/dbraw/zinc/87/88/82/294878882.db2.gz JNIBECRFEIKHDZ-HZMBPMFUSA-N 0 0 292.339 1.957 20 5 CDBDRN C[C@@H]1CC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000574128233 294949434 /nfs/dbraw/zinc/94/94/34/294949434.db2.gz OKPXXORGLKKOHY-HTQZYQBOSA-N 0 0 294.311 1.457 20 5 CDBDRN CSc1cc(O)ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574501968 295008887 /nfs/dbraw/zinc/00/88/87/295008887.db2.gz BFDJCVJQIIHUBU-UHFFFAOYSA-N 0 0 294.292 1.998 20 5 CDBDRN CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000574825307 295061627 /nfs/dbraw/zinc/06/16/27/295061627.db2.gz BFMAJAGEMXTCSR-LLVKDONJSA-N 0 0 280.280 1.410 20 5 CDBDRN NC(=O)c1cccc([N+](=O)[O-])c1N1CCSCC1 ZINC000420580035 295189649 /nfs/dbraw/zinc/18/96/49/295189649.db2.gz BPDRZHZEVADUJP-UHFFFAOYSA-N 0 0 267.310 1.247 20 5 CDBDRN NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@](O)(C2CC2)C1 ZINC000420624551 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ZFBDKKRGMQMQNX-ZCFIWIBFSA-N 0 0 251.246 1.892 20 5 CDBDRN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121417076 364775210 /nfs/dbraw/zinc/77/52/10/364775210.db2.gz YHZAXPYTJNUJBR-DTWKUNHWSA-N 0 0 286.309 1.051 20 5 CDBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](C)N1CCOCC1 ZINC000264303491 364895520 /nfs/dbraw/zinc/89/55/20/364895520.db2.gz RUCKBVZUQZLIJB-QWRGUYRKSA-N 0 0 280.328 1.511 20 5 CDBDRN Cc1cc(NCCc2cnccn2)ncc1[N+](=O)[O-] ZINC000340952469 364931574 /nfs/dbraw/zinc/93/15/74/364931574.db2.gz DCDPVWLHHKGOQI-UHFFFAOYSA-N 0 0 259.269 1.165 20 5 CDBDRN CCC1(O)CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000412326744 240152496 /nfs/dbraw/zinc/15/24/96/240152496.db2.gz HOQMRLLGSLUTTC-VIFPVBQESA-N 0 0 296.298 1.821 20 5 CDBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000412408119 240199014 /nfs/dbraw/zinc/19/90/14/240199014.db2.gz IJPLJTVHPCLPAV-WAAGHKOSSA-N 0 0 296.348 1.960 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@@H]2CS[C@H](C)C2)c1[N+](=O)[O-] ZINC000412614791 240298787 /nfs/dbraw/zinc/29/87/87/240298787.db2.gz XGIZJMCEWABUJD-SFYZADRCSA-N 0 0 298.368 1.894 20 5 CDBDRN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@@H+]1C ZINC000436965731 364982469 /nfs/dbraw/zinc/98/24/69/364982469.db2.gz KDQXFQJGOMHFMV-UWVGGRQHSA-N 0 0 293.323 1.513 20 5 CDBDRN CO[C@@](C)([C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000412606098 240293895 /nfs/dbraw/zinc/29/38/95/240293895.db2.gz WFXRVKJMWOXTEK-MADCSZMMSA-N 0 0 282.300 1.251 20 5 CDBDRN O=C(N[C@H](CO)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000412706548 240326215 /nfs/dbraw/zinc/32/62/15/240326215.db2.gz HGYTVNMPQUESCZ-DGCLKSJQSA-N 0 0 294.307 1.112 20 5 CDBDRN O=C(NCCOc1cccc(F)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000159992376 365001315 /nfs/dbraw/zinc/00/13/15/365001315.db2.gz YDMRXQHDSVQHBG-UHFFFAOYSA-N 0 0 294.242 1.266 20 5 CDBDRN CC(C)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230686043 365019751 /nfs/dbraw/zinc/01/97/51/365019751.db2.gz CFQCNFNKNCXOBR-NSHDSACASA-N 0 0 278.312 1.833 20 5 CDBDRN Cc1cccc(C(=O)N=c2nc[nH]n2C(C)C)c1[N+](=O)[O-] ZINC000412912085 240433694 /nfs/dbraw/zinc/43/36/94/240433694.db2.gz ITPGJJNNMLQHEC-UHFFFAOYSA-N 0 0 289.295 1.750 20 5 CDBDRN CC(C)NC(=O)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000275382785 193016902 /nfs/dbraw/zinc/01/69/02/193016902.db2.gz PKTLBHTYJMISOG-UHFFFAOYSA-N 0 0 278.312 1.499 20 5 CDBDRN CCC1(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000295945384 370791464 /nfs/dbraw/zinc/79/14/64/370791464.db2.gz QLVKIMWBGPJVBW-UHFFFAOYSA-N 0 0 251.242 1.368 20 5 CDBDRN C[C@H](CO)[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000133665244 365147176 /nfs/dbraw/zinc/14/71/76/365147176.db2.gz OHAKNWVVLRHRRF-GGMAAXRASA-N 0 0 278.308 1.741 20 5 CDBDRN CS[C@H](CO)[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413154076 240546127 /nfs/dbraw/zinc/54/61/27/240546127.db2.gz MTQXLYVUTXWGLI-IMTBSYHQSA-N 0 0 275.305 1.653 20 5 CDBDRN C[C@]1(CO)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000546113237 365211082 /nfs/dbraw/zinc/21/10/82/365211082.db2.gz XXHHQEKCGIJONS-CQSZACIVSA-N 0 0 293.323 1.380 20 5 CDBDRN CC(C)OC(=O)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354358949 365431108 /nfs/dbraw/zinc/43/11/08/365431108.db2.gz XJLMCLYZAFZCLQ-UHFFFAOYSA-N 0 0 295.295 1.249 20 5 CDBDRN Cc1ccc(C(=O)N2CC(C)(O)C2)cc1[N+](=O)[O-] ZINC000089644444 366895037 /nfs/dbraw/zinc/89/50/37/366895037.db2.gz ASEFHIQVAJCUQE-UHFFFAOYSA-N 0 0 250.254 1.110 20 5 CDBDRN CCCCOCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548385659 366898952 /nfs/dbraw/zinc/89/89/52/366898952.db2.gz PRUKZVREQKYGJK-UHFFFAOYSA-N 0 0 296.327 1.339 20 5 CDBDRN C[C@@H]1CCC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@@H]1C ZINC000548408389 366905218 /nfs/dbraw/zinc/90/52/18/366905218.db2.gz NJAIEXGGTGLDRA-KKZNHRDASA-N 0 0 292.339 1.957 20 5 CDBDRN CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270597321 366909068 /nfs/dbraw/zinc/90/90/68/366909068.db2.gz XGNONXHDJSDLLP-XNHDODSBSA-N 0 0 290.319 1.837 20 5 CDBDRN CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270651987 366915569 /nfs/dbraw/zinc/91/55/69/366915569.db2.gz QTQYEMHNUUTOGV-YPMHNXCESA-N 0 0 278.308 1.367 20 5 CDBDRN C[C@@](O)(CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000270692949 366923309 /nfs/dbraw/zinc/92/33/09/366923309.db2.gz ACVOBZRPEZUCAO-LLVKDONJSA-N 0 0 296.308 1.017 20 5 CDBDRN CC[C@](C)(O)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000213118062 366924108 /nfs/dbraw/zinc/92/41/08/366924108.db2.gz DCKWBLQIHOEISF-CKXPSTMWSA-N 0 0 278.308 1.885 20 5 CDBDRN CCn1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000413882733 240956349 /nfs/dbraw/zinc/95/63/49/240956349.db2.gz RDKHPMUKWIMJGD-UHFFFAOYSA-N 0 0 288.307 1.670 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)Cn1cccn1 ZINC000414152180 241088752 /nfs/dbraw/zinc/08/87/52/241088752.db2.gz WZJZSQGDHBOZMZ-GFCCVEGCSA-N 0 0 291.307 1.848 20 5 CDBDRN CCC[C@H]1CN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CCO1 ZINC000089944464 366972907 /nfs/dbraw/zinc/97/29/07/366972907.db2.gz XSOVZUBNIMBWAE-VIFPVBQESA-N 0 0 296.327 1.521 20 5 CDBDRN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1=O ZINC000271183113 366982342 /nfs/dbraw/zinc/98/23/42/366982342.db2.gz IPOLJAKJFMGLCA-DYLGSBMWSA-N 0 0 289.335 1.771 20 5 CDBDRN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCC1 ZINC000348307432 367102568 /nfs/dbraw/zinc/10/25/68/367102568.db2.gz INDDPLPCSSNZBT-UHFFFAOYSA-N 0 0 251.286 1.948 20 5 CDBDRN C[C@@H](C(=O)Nc1c([N+](=O)[O-])cnn1C)C(=O)OC(C)(C)C ZINC000415448191 241686008 /nfs/dbraw/zinc/68/60/08/241686008.db2.gz HVWWFXJSKNTUSB-ZETCQYMHSA-N 0 0 298.299 1.245 20 5 CDBDRN O=C(CNc1c(F)cc([N+](=O)[O-])cc1F)NCC1CC1 ZINC000272209171 367314576 /nfs/dbraw/zinc/31/45/76/367314576.db2.gz LMCZLSCNBFKHSU-UHFFFAOYSA-N 0 0 285.250 1.811 20 5 CDBDRN O=C(NC1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298876571 283937472 /nfs/dbraw/zinc/93/74/72/283937472.db2.gz UCBBALACUZHBQO-UHFFFAOYSA-N 0 0 295.251 1.412 20 5 CDBDRN CCC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000416523059 242035850 /nfs/dbraw/zinc/03/58/50/242035850.db2.gz WBHRIBPMSGIFEO-UHFFFAOYSA-N 0 0 270.310 1.625 20 5 CDBDRN Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000348656283 367605721 /nfs/dbraw/zinc/60/57/21/367605721.db2.gz RGJUMBRMDWYKFA-UHFFFAOYSA-N 0 0 260.253 1.556 20 5 CDBDRN CC[C@H](Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)OC ZINC000416898463 242217969 /nfs/dbraw/zinc/21/79/69/242217969.db2.gz RVCGGGDNVUJFIE-SNVBAGLBSA-N 0 0 277.280 1.730 20 5 CDBDRN C[C@@H](CCCO)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272435387 367732392 /nfs/dbraw/zinc/73/23/92/367732392.db2.gz LWRGTLAPLKJNNE-QMMMGPOBSA-N 0 0 267.285 1.068 20 5 CDBDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000272440933 367733088 /nfs/dbraw/zinc/73/30/88/367733088.db2.gz ICBPPWRVTFNDJL-ONGXEEELSA-N 0 0 281.312 1.546 20 5 CDBDRN O=[N+]([O-])c1cnn(CCS[C@H]2CCCOC2)c1 ZINC000272455280 367739410 /nfs/dbraw/zinc/73/94/10/367739410.db2.gz NEILGRARPQQWOL-JTQLQIEISA-N 0 0 257.315 1.704 20 5 CDBDRN CCOCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272374691 367714942 /nfs/dbraw/zinc/71/49/42/367714942.db2.gz XVLQFIIRWAHASX-UHFFFAOYSA-N 0 0 286.715 1.943 20 5 CDBDRN C[C@H](O)CCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272647243 367785841 /nfs/dbraw/zinc/78/58/41/367785841.db2.gz MKNFQLYEMPJWOV-QMMMGPOBSA-N 0 0 267.285 1.020 20 5 CDBDRN O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000412480140 283997737 /nfs/dbraw/zinc/99/77/37/283997737.db2.gz SHESAPNWDVWNRM-ZJUUUORDSA-N 0 0 278.312 1.874 20 5 CDBDRN C[C@@]1(CO)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000546820732 367968522 /nfs/dbraw/zinc/96/85/22/367968522.db2.gz MOQBPNJVBIEUMM-NSHDSACASA-N 0 0 270.310 1.643 20 5 CDBDRN COC(=O)c1ccc(OCc2ccnn2C)c([N+](=O)[O-])c1 ZINC000161280433 368131805 /nfs/dbraw/zinc/13/18/05/368131805.db2.gz VSHOIVDVILNGPN-UHFFFAOYSA-N 0 0 291.263 1.694 20 5 CDBDRN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000456219403 252420609 /nfs/dbraw/zinc/42/06/09/252420609.db2.gz FRUVBUAUBRNRHW-PRHODGIISA-N 0 0 284.287 1.552 20 5 CDBDRN CCN(C(C)C)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000330458045 202851598 /nfs/dbraw/zinc/85/15/98/202851598.db2.gz RMCWPDJJGYCZFB-UHFFFAOYSA-N 0 0 290.345 1.230 20 5 CDBDRN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCCC[C@@H]1C ZINC000330482291 202876043 /nfs/dbraw/zinc/87/60/43/202876043.db2.gz UBUNNNFGFUNSSB-WDEREUQCSA-N 0 0 295.343 1.614 20 5 CDBDRN CC[C@]1(C)COCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330621818 203049820 /nfs/dbraw/zinc/04/98/20/203049820.db2.gz BXPSQTQTJKLXNP-GFCCVEGCSA-N 0 0 267.285 1.564 20 5 CDBDRN Cc1cc(N2CCN(C(=O)C3CC3)C2)ncc1[N+](=O)[O-] ZINC000420632187 244296459 /nfs/dbraw/zinc/29/64/59/244296459.db2.gz HPYDGEUPGUFACF-UHFFFAOYSA-N 0 0 276.296 1.314 20 5 CDBDRN C[C@@H](CCO)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420624132 244290884 /nfs/dbraw/zinc/29/08/84/244290884.db2.gz GNFILJFNUFUBBB-SECBINFHSA-N 0 0 281.312 1.514 20 5 CDBDRN CCCN1C[C@H](CNc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC000420649825 244310970 /nfs/dbraw/zinc/31/09/70/244310970.db2.gz GUUULEICIVNYTP-VIFPVBQESA-N 0 0 296.302 1.799 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C)CCOC1 ZINC000330850249 203312427 /nfs/dbraw/zinc/31/24/27/203312427.db2.gz QBPYJJOFPBHVPC-ZDUSSCGKSA-N 0 0 280.280 1.969 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@]1(C)CCO[C@H]1C ZINC000330857923 203320488 /nfs/dbraw/zinc/32/04/88/203320488.db2.gz UPUKKHLCOBHURZ-ZANVPECISA-N 0 0 296.327 1.174 20 5 CDBDRN CC1(O)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000276205116 193242390 /nfs/dbraw/zinc/24/23/90/193242390.db2.gz JHIYXDZOAMKLES-UHFFFAOYSA-N 0 0 274.223 1.767 20 5 CDBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC1 ZINC000276336157 193290587 /nfs/dbraw/zinc/29/05/87/193290587.db2.gz RTMBXNPCKDXEFE-UHFFFAOYSA-N 0 0 270.310 1.963 20 5 CDBDRN C[C@@H](CO)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276370383 193303449 /nfs/dbraw/zinc/30/34/49/193303449.db2.gz OHIDRFZYFWHRFO-SECBINFHSA-N 0 0 281.312 1.315 20 5 CDBDRN CC[C@@H]1C[C@@H](C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000330933442 203399572 /nfs/dbraw/zinc/39/95/72/203399572.db2.gz CXJSMRSGLSSZNA-NXEZZACHSA-N 0 0 266.301 1.438 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CC1OCCCO1 ZINC000276589741 193392006 /nfs/dbraw/zinc/39/20/06/193392006.db2.gz PWJLMVQCNBDQQR-UHFFFAOYSA-N 0 0 296.279 1.695 20 5 CDBDRN CCN(CCCO)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000160470419 369751799 /nfs/dbraw/zinc/75/17/99/369751799.db2.gz MVYGDNIXCCPIIL-UHFFFAOYSA-N 0 0 266.297 1.368 20 5 CDBDRN CCCNC(=O)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421744371 244806250 /nfs/dbraw/zinc/80/62/50/244806250.db2.gz ZVZWFDJGBZDOKG-UHFFFAOYSA-N 0 0 293.323 1.468 20 5 CDBDRN C[C@H](NC(=O)CCCC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000295305428 369918808 /nfs/dbraw/zinc/91/88/08/369918808.db2.gz JUZDZSQXQWMPEG-VIFPVBQESA-N 0 0 279.296 1.428 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295352173 370025074 /nfs/dbraw/zinc/02/50/74/370025074.db2.gz ISQAAGGYEKYZGI-UHFFFAOYSA-N 0 0 251.286 1.291 20 5 CDBDRN CCOC[C@@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])C(C)C ZINC000276891331 193491222 /nfs/dbraw/zinc/49/12/22/193491222.db2.gz OCMZOBUQRVQEPB-SECBINFHSA-N 0 0 284.316 1.417 20 5 CDBDRN CCN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295387391 370128851 /nfs/dbraw/zinc/12/88/51/370128851.db2.gz KWXSOIPXXUVTKP-UHFFFAOYSA-N 0 0 299.714 1.504 20 5 CDBDRN CC1(C)[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000129895620 370134580 /nfs/dbraw/zinc/13/45/80/370134580.db2.gz VXSLGCVEEQLPED-MNOVXSKESA-N 0 0 282.271 1.623 20 5 CDBDRN O=C(NC[C@H]1CCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000089161414 370231488 /nfs/dbraw/zinc/23/14/88/370231488.db2.gz KALSTLVMFGEPMQ-BXKDBHETSA-N 0 0 264.281 1.486 20 5 CDBDRN COc1cc(N(C)[C@@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000278799464 370204636 /nfs/dbraw/zinc/20/46/36/370204636.db2.gz QYUPNYPYEHAPFR-UGZDLDLSSA-N 0 0 286.353 1.807 20 5 CDBDRN C[C@@H]1CC[C@H](C(=O)N(C)c2ccc([N+](=O)[O-])nc2)O1 ZINC000331266846 203670074 /nfs/dbraw/zinc/67/00/74/203670074.db2.gz QVGMJFSLPQFVEH-PSASIEDQSA-N 0 0 265.269 1.520 20 5 CDBDRN CC[C@H](O)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000293775841 370386466 /nfs/dbraw/zinc/38/64/66/370386466.db2.gz VTEXXYFWBWULIW-JTQLQIEISA-N 0 0 282.296 1.251 20 5 CDBDRN Cc1nc(NC[C@H]2CCCOC2)ncc1[N+](=O)[O-] ZINC000295550059 370476374 /nfs/dbraw/zinc/47/63/74/370476374.db2.gz PFLYUQBSRBHLKC-SECBINFHSA-N 0 0 252.274 1.532 20 5 CDBDRN CCC1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266172520 370551788 /nfs/dbraw/zinc/55/17/88/370551788.db2.gz QYKNXCVKACIENW-UHFFFAOYSA-N 0 0 278.308 1.972 20 5 CDBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C1CC1 ZINC000331624734 204023377 /nfs/dbraw/zinc/02/33/77/204023377.db2.gz HCOANKXMYGBRQU-SNVBAGLBSA-N 0 0 295.343 1.448 20 5 CDBDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000042189075 284267163 /nfs/dbraw/zinc/26/71/63/284267163.db2.gz DKLWCMHXMIHDQL-YPMHNXCESA-N 0 0 287.275 1.311 20 5 CDBDRN Cc1sc(C(=O)N2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000331946831 204325131 /nfs/dbraw/zinc/32/51/31/204325131.db2.gz 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SBTOHPWJHZANTR-UHFFFAOYSA-N 0 0 290.283 1.446 20 5 CDBDRN CCCN(CC(=O)N(C)C)c1c([N+](=O)[O-])nc(C)n1CC ZINC000288164284 197017946 /nfs/dbraw/zinc/01/79/46/197017946.db2.gz PMTPIXJEQUDDJS-UHFFFAOYSA-N 0 0 297.359 1.424 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(OC)CC1 ZINC000288084616 197001576 /nfs/dbraw/zinc/00/15/76/197001576.db2.gz IDRDGUDZFXMQSB-UHFFFAOYSA-N 0 0 268.317 1.735 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CC(=O)OC ZINC000288137694 197012151 /nfs/dbraw/zinc/01/21/51/197012151.db2.gz NAPFWHGMQQRKET-ZETCQYMHSA-N 0 0 270.289 1.483 20 5 CDBDRN COCC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000281262251 195172098 /nfs/dbraw/zinc/17/20/98/195172098.db2.gz FLAGFCGKRIBSDS-JTQLQIEISA-N 0 0 297.311 1.422 20 5 CDBDRN C[C@@H]1COCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286786403 196704448 /nfs/dbraw/zinc/70/44/48/196704448.db2.gz JIWGZLAHCPIFMI-ZJUUUORDSA-N 0 0 293.323 1.579 20 5 CDBDRN CCN1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1=O ZINC000273371193 285338464 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CCc1nn(C)c(N2CCC[C@@](C)(OC)C2)c1[N+](=O)[O-] ZINC000359740687 390215863 /nfs/dbraw/zinc/21/58/63/390215863.db2.gz BEYOYQJGXCAZGV-CYBMUJFWSA-N 0 0 282.344 1.896 20 5 CDBDRN C[NH+](C)CC1(Nc2ncc([N+](=O)[O-])s2)CCC1 ZINC000281767008 195373683 /nfs/dbraw/zinc/37/36/83/195373683.db2.gz CYLXBCXIRIMKDQ-UHFFFAOYSA-N 0 0 256.331 1.948 20 5 CDBDRN COCCn1cc(CNc2ccc([N+](=O)[O-])c(C)n2)cn1 ZINC000281979044 195461308 /nfs/dbraw/zinc/46/13/08/195461308.db2.gz SAFKWVCKPZPFQP-UHFFFAOYSA-N 0 0 291.311 1.753 20 5 CDBDRN CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)OCC ZINC000432953335 390494327 /nfs/dbraw/zinc/49/43/27/390494327.db2.gz HODLHRYZGBWSLZ-SECBINFHSA-N 0 0 297.311 1.632 20 5 CDBDRN COC[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)OC ZINC000347469566 285376042 /nfs/dbraw/zinc/37/60/42/285376042.db2.gz ZBFLBMPMAGSCHB-VIFPVBQESA-N 0 0 292.295 1.033 20 5 CDBDRN Cc1nc(N2CC[S@@](=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000373028901 390456222 /nfs/dbraw/zinc/45/62/22/390456222.db2.gz LXPMDXLACHWHQV-UGZDLDLSSA-N 0 0 283.353 1.646 20 5 CDBDRN Cc1nc(N2CC[C@@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000450959914 390583934 /nfs/dbraw/zinc/58/39/34/390583934.db2.gz ZFIWWUKABHYQHI-LLVKDONJSA-N 0 0 265.313 1.897 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(NC[C@H](O)C3CCC3)c21 ZINC000450918208 390575527 /nfs/dbraw/zinc/57/55/27/390575527.db2.gz HFCONAFNJYUZKN-LBPRGKRZSA-N 0 0 288.307 1.533 20 5 CDBDRN CC(C)(C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110048046 390655860 /nfs/dbraw/zinc/65/58/60/390655860.db2.gz PYLFMHJZAQKREB-UHFFFAOYSA-N 0 0 289.291 1.965 20 5 CDBDRN CO[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1O ZINC000396017069 390669883 /nfs/dbraw/zinc/66/98/83/390669883.db2.gz QMVRYKUDUPZPIV-CHWSQXEVSA-N 0 0 289.291 1.339 20 5 CDBDRN Cc1ccc(C(=O)N2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000048861447 390675818 /nfs/dbraw/zinc/67/58/18/390675818.db2.gz BWKDJQLYQUPICO-LLVKDONJSA-N 0 0 264.281 1.500 20 5 CDBDRN C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090549843 390885389 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CCOC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000267124631 391166262 /nfs/dbraw/zinc/16/62/62/391166262.db2.gz KKJLCYJQWHDSSO-VIFPVBQESA-N 0 0 267.285 1.422 20 5 CDBDRN COc1cc(C(=O)N2CC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000166953110 533524208 /nfs/dbraw/zinc/52/42/08/533524208.db2.gz VBIGJRDSVGRFRU-KOLCDFICSA-N 0 0 294.307 1.446 20 5 CDBDRN CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1OC ZINC000413231159 391180692 /nfs/dbraw/zinc/18/06/92/391180692.db2.gz LWMJEVDVLQJUON-GMTAPVOTSA-N 0 0 285.275 1.733 20 5 CDBDRN O=[N+]([O-])c1ccc2ccnc(NCCCCO)c2c1 ZINC000413262527 391187575 /nfs/dbraw/zinc/18/75/75/391187575.db2.gz HQFSVZNEWGYXJO-UHFFFAOYSA-N 0 0 261.281 1.749 20 5 CDBDRN COc1cc(N[C@H]2COC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000413452138 391216372 /nfs/dbraw/zinc/21/63/72/391216372.db2.gz FFHQBARSRDJVRE-JOYOIKCWSA-N 0 0 268.269 1.429 20 5 CDBDRN C[C@@H](O)[C@@H](CO)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413467332 391218443 /nfs/dbraw/zinc/21/84/43/391218443.db2.gz ZINYIWGVXOPGGA-LDYMZIIASA-N 0 0 277.280 1.297 20 5 CDBDRN CCn1ccc(CNc2ncc([N+](=O)[O-])s2)n1 ZINC000413492953 391220869 /nfs/dbraw/zinc/22/08/69/391220869.db2.gz NIHNORLEXMKPGE-UHFFFAOYSA-N 0 0 253.287 1.302 20 5 CDBDRN C[C@@H]1C[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)O1 ZINC000413536908 391233849 /nfs/dbraw/zinc/23/38/49/391233849.db2.gz RCTXIRZSRBLTIT-UTLUCORTSA-N 0 0 293.323 1.919 20 5 CDBDRN CNC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000413566466 391240227 /nfs/dbraw/zinc/24/02/27/391240227.db2.gz IYFZCEDPUGMJLR-UHFFFAOYSA-N 0 0 293.327 1.196 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)CN1C ZINC000408074696 391244894 /nfs/dbraw/zinc/24/48/94/391244894.db2.gz XIHGOZDFLNYYEU-NXEZZACHSA-N 0 0 295.314 1.899 20 5 CDBDRN COC(=O)[C@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413598383 391246184 /nfs/dbraw/zinc/24/61/84/391246184.db2.gz YPIMDQMKNJAGEA-CYBMUJFWSA-N 0 0 297.286 1.908 20 5 CDBDRN Cc1cnn([C@@H]2CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)c1 ZINC000290628891 391214724 /nfs/dbraw/zinc/21/47/24/391214724.db2.gz DZBCLBMHOZLLAD-LLVKDONJSA-N 0 0 290.327 1.593 20 5 CDBDRN C[C@@H]1CCCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000186453836 391295310 /nfs/dbraw/zinc/29/53/10/391295310.db2.gz QVGPOCSXRGBTHD-SECBINFHSA-N 0 0 266.301 1.591 20 5 CDBDRN CC[C@H](CO)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000035055555 391297287 /nfs/dbraw/zinc/29/72/87/391297287.db2.gz QKKREMWOAQUOKW-MRVPVSSYSA-N 0 0 298.295 1.113 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000440132469 391309139 /nfs/dbraw/zinc/30/91/39/391309139.db2.gz OINYCHLLVJKGFE-BDAKNGLRSA-N 0 0 296.327 1.424 20 5 CDBDRN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000440566330 391406092 /nfs/dbraw/zinc/40/60/92/391406092.db2.gz DLPHGGZFPZVIBU-PELKAZGASA-N 0 0 269.301 1.450 20 5 CDBDRN CC(=O)C[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000129490592 391341010 /nfs/dbraw/zinc/34/10/10/391341010.db2.gz AKTYTWGCISIGNS-SNVBAGLBSA-N 0 0 293.323 1.515 20 5 CDBDRN Cc1cnccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184437131 391354026 /nfs/dbraw/zinc/35/40/26/391354026.db2.gz KXFIYQWETXWMJF-UHFFFAOYSA-N 0 0 273.252 1.528 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCCC[C@@H]1CCCCO1 ZINC000186710616 391383359 /nfs/dbraw/zinc/38/33/59/391383359.db2.gz GSBTXVWXJQTUDM-LBPRGKRZSA-N 0 0 296.327 1.257 20 5 CDBDRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154790402 391387949 /nfs/dbraw/zinc/38/79/49/391387949.db2.gz OIPZDNLIMHIKAE-CXTDYRRUSA-N 0 0 298.245 1.923 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCn2cncc2C1 ZINC000290789438 391401020 /nfs/dbraw/zinc/40/10/20/391401020.db2.gz XGLUOIQNXXXUJT-UHFFFAOYSA-N 0 0 259.269 1.515 20 5 CDBDRN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1(C)C ZINC000343149722 391606621 /nfs/dbraw/zinc/60/66/21/391606621.db2.gz MDIDDGMEXYZRAP-XXILOJSOSA-N 0 0 295.339 1.723 20 5 CDBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](O)C1 ZINC000439460382 391641914 /nfs/dbraw/zinc/64/19/14/391641914.db2.gz 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Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(CO)c1 ZINC000347006432 153376141 /nfs/dbraw/zinc/37/61/41/153376141.db2.gz BMTFDISBCLSXAI-UHFFFAOYSA-N 0 0 276.252 1.073 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)[C@H]1CCOC1 ZINC000347113341 153416566 /nfs/dbraw/zinc/41/65/66/153416566.db2.gz XMSYAEYPBYLOMA-GWCFXTLKSA-N 0 0 294.307 1.030 20 5 CDBDRN O=C(NCCOc1ccccc1F)c1cc([N+](=O)[O-])n[nH]1 ZINC000348492108 153910187 /nfs/dbraw/zinc/91/01/87/153910187.db2.gz FMAZNRNCKFQIKP-UHFFFAOYSA-N 0 0 294.242 1.266 20 5 CDBDRN Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000348931343 154009512 /nfs/dbraw/zinc/00/95/12/154009512.db2.gz ATVQSDVEZVFOHC-SSDOTTSWSA-N 0 0 292.295 1.889 20 5 CDBDRN Cc1cc(C(=O)NC[C@@H]2CC[C@@H](CO)O2)cc([N+](=O)[O-])c1 ZINC000349664052 154171806 /nfs/dbraw/zinc/17/18/06/154171806.db2.gz FZHSSGHWJRHGEV-STQMWFEESA-N 0 0 294.307 1.173 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351907840 154811871 /nfs/dbraw/zinc/81/18/71/154811871.db2.gz 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/nfs/dbraw/zinc/25/07/84/157250784.db2.gz KZKRQTFJEDSHMD-UHFFFAOYSA-N 0 0 290.279 1.304 20 5 CDBDRN CC1(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)CC1 ZINC000355944590 157293990 /nfs/dbraw/zinc/29/39/90/157293990.db2.gz GFXMADKDWUXKPB-UHFFFAOYSA-N 0 0 265.265 1.835 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C2CC2)C1 ZINC000356444886 157481593 /nfs/dbraw/zinc/48/15/93/157481593.db2.gz NTBOFTXQVFMYJY-SNVBAGLBSA-N 0 0 278.312 1.591 20 5 CDBDRN CNc1c(C(=O)NC[C@@H]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000356638727 157530385 /nfs/dbraw/zinc/53/03/85/157530385.db2.gz YNFNSNJZGRCQCG-NXEZZACHSA-N 0 0 293.323 1.527 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn2c(=O)[nH]nc12 ZINC000357180072 157683433 /nfs/dbraw/zinc/68/34/33/157683433.db2.gz VYXHSLZZXBBYHW-UHFFFAOYSA-N 0 0 299.246 1.595 20 5 CDBDRN Cn1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000357270413 157713285 /nfs/dbraw/zinc/71/32/85/157713285.db2.gz GAJYIOUJLILZFR-UHFFFAOYSA-N 0 0 273.292 1.792 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN(Cc1cccnc1)C1CC1 ZINC000357391786 157740978 /nfs/dbraw/zinc/74/09/78/157740978.db2.gz PPCPYFVCFYAWMZ-UHFFFAOYSA-N 0 0 287.323 1.888 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000358035702 157858837 /nfs/dbraw/zinc/85/88/37/157858837.db2.gz JDNMYHMOXJZIFS-UHFFFAOYSA-N 0 0 260.253 1.311 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000358047190 157861220 /nfs/dbraw/zinc/86/12/20/157861220.db2.gz VXCWXCOECVUVHY-DDTOSNHZSA-N 0 0 298.302 1.396 20 5 CDBDRN C[C@@H]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000358046111 157861288 /nfs/dbraw/zinc/86/12/88/157861288.db2.gz IJWAGRRXXDTAKM-RKDXNWHRSA-N 0 0 266.301 1.494 20 5 CDBDRN CC(=O)CNC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC000358866279 158058064 /nfs/dbraw/zinc/05/80/64/158058064.db2.gz QMKVACIWTQJDFR-SNVBAGLBSA-N 0 0 280.280 1.376 20 5 CDBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000358879140 158061535 /nfs/dbraw/zinc/06/15/35/158061535.db2.gz AKARQVPPRHQPNI-UHFFFAOYSA-N 0 0 271.276 1.962 20 5 CDBDRN CCC(=O)c1ccc(NCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000358930906 158076178 /nfs/dbraw/zinc/07/61/78/158076178.db2.gz JUMHERQGHRXYHG-UHFFFAOYSA-N 0 0 275.268 1.918 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCn2cncn2)n1 ZINC000359082768 158121653 /nfs/dbraw/zinc/12/16/53/158121653.db2.gz MLLDQDSUIPFBHN-UHFFFAOYSA-N 0 0 262.273 1.310 20 5 CDBDRN CC(C)[C@@H]1N(C(=O)c2cc([N+](=O)[O-])nn2C)CC12CCC2 ZINC000359174872 158149463 /nfs/dbraw/zinc/14/94/63/158149463.db2.gz LIDYKNKMSONDOS-LBPRGKRZSA-N 0 0 292.339 1.979 20 5 CDBDRN O=c1onc(-c2ncccn2)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000359465394 158255624 /nfs/dbraw/zinc/25/56/24/158255624.db2.gz JFPSRAHIEQVJDF-UHFFFAOYSA-N 0 0 299.246 1.250 20 5 CDBDRN CC(C)[C@H](O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000359481970 158260833 /nfs/dbraw/zinc/26/08/33/158260833.db2.gz MSPUGDFRGDKTRN-NSHDSACASA-N 0 0 298.343 1.101 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C=C[C@H](CO)C2)c1 ZINC000359490934 158263154 /nfs/dbraw/zinc/26/31/54/158263154.db2.gz JYYAHWJJIITDRH-UWVGGRQHSA-N 0 0 292.291 1.270 20 5 CDBDRN CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000359506234 158269486 /nfs/dbraw/zinc/26/94/86/158269486.db2.gz WHUIEUHSUGCMCA-UHFFFAOYSA-N 0 0 280.206 1.353 20 5 CDBDRN CCCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000359515295 158272299 /nfs/dbraw/zinc/27/22/99/158272299.db2.gz ISJALQDFUDETMV-UHFFFAOYSA-N 0 0 276.243 1.446 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](CC2CC2)C1 ZINC000359693454 158339740 /nfs/dbraw/zinc/33/97/40/158339740.db2.gz HLRQBOPCCFICDQ-LLVKDONJSA-N 0 0 278.312 1.440 20 5 CDBDRN Cc1nc(N[C@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000360180739 158486663 /nfs/dbraw/zinc/48/66/63/158486663.db2.gz CSINLPNJWJVOMU-LLVKDONJSA-N 0 0 281.312 1.498 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(CCO)[C@H]2CCO[C@H]2C)c1 ZINC000360242776 158500871 /nfs/dbraw/zinc/50/08/71/158500871.db2.gz RFBSMNMZJNZROY-RYUDHWBXSA-N 0 0 280.324 1.879 20 5 CDBDRN 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SCJITVMTBYZHPJ-MRVPVSSYSA-N 0 0 269.257 1.054 20 5 CDBDRN CNc1ccc(C(=O)NOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000766766250 576133021 /nfs/dbraw/zinc/13/30/21/576133021.db2.gz BLGVMCLHBPAQHA-UHFFFAOYSA-N 0 0 293.201 1.860 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCCCOC(C)(C)C ZINC000766971876 576150929 /nfs/dbraw/zinc/15/09/29/576150929.db2.gz FLJWFYRYEFAYHF-UHFFFAOYSA-N 0 0 285.300 1.690 20 5 CDBDRN CC(C)n1ccc(COC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC000766973036 576151247 /nfs/dbraw/zinc/15/12/47/576151247.db2.gz QLBVYZSTOFIMIA-UHFFFAOYSA-N 0 0 293.283 1.463 20 5 CDBDRN Cc1nccn1CCCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000767548217 576203521 /nfs/dbraw/zinc/20/35/21/576203521.db2.gz QAOYPISOBHUUGH-UHFFFAOYSA-N 0 0 292.295 1.685 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnn(C(F)F)c1 ZINC000767892204 576236255 /nfs/dbraw/zinc/23/62/55/576236255.db2.gz LHFATTDCGFRRHF-UHFFFAOYSA-N 0 0 285.210 1.777 20 5 CDBDRN O=C(OCCC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000768513451 576291639 /nfs/dbraw/zinc/29/16/39/576291639.db2.gz ZCAVDFUGCQGGGE-UHFFFAOYSA-N 0 0 267.237 1.515 20 5 CDBDRN COC[C@@H](C)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000769321537 576345754 /nfs/dbraw/zinc/34/57/54/576345754.db2.gz DEVUOURFPWYLTO-MRVPVSSYSA-N 0 0 297.263 1.763 20 5 CDBDRN CO[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000769447039 576354789 /nfs/dbraw/zinc/35/47/89/576354789.db2.gz SDLQRJGAGPWTPY-LLVKDONJSA-N 0 0 294.307 1.587 20 5 CDBDRN Cc1ccc(OC(=O)c2coc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000760252034 576469898 /nfs/dbraw/zinc/46/98/98/576469898.db2.gz RXIJRLCEAQWJNX-UHFFFAOYSA-N 0 0 290.231 1.814 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc[nH]2)c1[N+](=O)[O-] ZINC000760947449 576528103 /nfs/dbraw/zinc/52/81/03/576528103.db2.gz ADSQFZADSWDYBY-SSDOTTSWSA-N 0 0 277.284 1.699 20 5 CDBDRN COc1ccc(OC(=O)c2nnn(C)c2C)c([N+](=O)[O-])c1 ZINC000741515725 576564149 /nfs/dbraw/zinc/56/41/49/576564149.db2.gz DAVOQPQQOBIGOJ-UHFFFAOYSA-N 0 0 292.251 1.260 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ncccn1 ZINC000742227423 576589986 /nfs/dbraw/zinc/58/99/86/576589986.db2.gz MBFUANJLBHFRGU-UHFFFAOYSA-N 0 0 262.200 1.776 20 5 CDBDRN O=C(OCCOc1ccc([N+](=O)[O-])cc1)C1=COCCO1 ZINC000742852758 576619603 /nfs/dbraw/zinc/61/96/03/576619603.db2.gz VTWIRBQUYCTXCQ-UHFFFAOYSA-N 0 0 295.247 1.405 20 5 CDBDRN C[C@H](NC(=O)c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000743311971 576632187 /nfs/dbraw/zinc/63/21/87/576632187.db2.gz AYVLOAGOCYQTHY-VIFPVBQESA-N 0 0 272.264 1.876 20 5 CDBDRN Cc1nc(NC(=O)/C=C\c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000762344527 576640394 /nfs/dbraw/zinc/64/03/94/576640394.db2.gz YLQKRDWQSWDUKJ-UTCJRWHESA-N 0 0 287.279 1.684 20 5 CDBDRN Cc1nonc1COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000744149658 576666508 /nfs/dbraw/zinc/66/65/08/576666508.db2.gz JFMJISKBXVGXOA-UHFFFAOYSA-N 0 0 277.236 1.952 20 5 CDBDRN CN(CC(=O)Nc1cccnn1)c1ccccc1[N+](=O)[O-] ZINC000744369305 576677742 /nfs/dbraw/zinc/67/77/42/576677742.db2.gz RZNBRVFUIFUKIC-UHFFFAOYSA-N 0 0 287.279 1.460 20 5 CDBDRN CCCCOC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000744605120 576687852 /nfs/dbraw/zinc/68/78/52/576687852.db2.gz NHEWATPSQACQIQ-VIFPVBQESA-N 0 0 298.295 1.822 20 5 CDBDRN CN(CC(=O)OCCCCO)c1ccccc1[N+](=O)[O-] ZINC000745615654 576735688 /nfs/dbraw/zinc/73/56/88/576735688.db2.gz NHEFMKXLZVPGLT-UHFFFAOYSA-N 0 0 282.296 1.347 20 5 CDBDRN Cc1ccc(C(=O)OCC(=O)N2CCC2)cc1[N+](=O)[O-] ZINC000746902682 576850796 /nfs/dbraw/zinc/85/07/96/576850796.db2.gz ZUKSZDOHCGDZJJ-UHFFFAOYSA-N 0 0 278.264 1.292 20 5 CDBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)C1=NNC(=O)CC1 ZINC000746902125 576850798 /nfs/dbraw/zinc/85/07/98/576850798.db2.gz XLGZZUPQZUJAHQ-UHFFFAOYSA-N 0 0 295.226 1.043 20 5 CDBDRN COc1ccc(OC(=O)[C@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC000754018996 576873718 /nfs/dbraw/zinc/87/37/18/576873718.db2.gz NZAMSOGBCKFJIK-CYBMUJFWSA-N 0 0 281.264 1.935 20 5 CDBDRN O=[N+]([O-])c1cnn(-c2nc3ccccn3c2[N+](=O)[O-])c1 ZINC000747819813 576885429 /nfs/dbraw/zinc/88/54/29/576885429.db2.gz NUUWOAJLDQDRQH-UHFFFAOYSA-N 0 0 274.196 1.336 20 5 CDBDRN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000747999054 576891891 /nfs/dbraw/zinc/89/18/91/576891891.db2.gz IAUSVQURRIYTDI-UHFFFAOYSA-N 0 0 261.241 1.177 20 5 CDBDRN Cc1ccc(CC(=O)OCCn2ccc([N+](=O)[O-])n2)o1 ZINC000754336068 576892041 /nfs/dbraw/zinc/89/20/41/576892041.db2.gz VNOGSUYYHYPKIT-UHFFFAOYSA-N 0 0 279.252 1.479 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000748351191 576907802 /nfs/dbraw/zinc/90/78/02/576907802.db2.gz RRAAJCOHWPHEJY-VIFPVBQESA-N 0 0 281.287 1.510 20 5 CDBDRN Cc1noc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000754691938 576911308 /nfs/dbraw/zinc/91/13/08/576911308.db2.gz HUWZIWQOCXSACV-PRHODGIISA-N 0 0 292.295 1.670 20 5 CDBDRN CCc1nnc(COC(=O)c2ccc([N+](=O)[O-])cc2N)[nH]1 ZINC000754730156 576912796 /nfs/dbraw/zinc/91/27/96/576912796.db2.gz DVTFPEJSOWUERS-UHFFFAOYSA-N 0 0 291.267 1.215 20 5 CDBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC1CCCCC1 ZINC000748497330 576915313 /nfs/dbraw/zinc/91/53/13/576915313.db2.gz MJCWDJZQCZRMML-UHFFFAOYSA-N 0 0 294.307 1.880 20 5 CDBDRN COCCOCCOC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000755672050 576954727 /nfs/dbraw/zinc/95/47/27/576954727.db2.gz GCMCZGZVGUBZPR-UHFFFAOYSA-N 0 0 299.279 1.423 20 5 CDBDRN C[C@H](CCn1cccn1)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000755830268 576963788 /nfs/dbraw/zinc/96/37/88/576963788.db2.gz PMFSKLOLVWZQDT-SNVBAGLBSA-N 0 0 292.295 1.765 20 5 CDBDRN CCc1n[nH]c(C(=O)NCCC2CCC2)c1[N+](=O)[O-] ZINC000755863563 576964988 /nfs/dbraw/zinc/96/49/88/576964988.db2.gz FPTAGPQIVTYHOA-UHFFFAOYSA-N 0 0 266.301 1.800 20 5 CDBDRN Cc1cnc(COC(=O)c2cc([N+](=O)[O-])cn2C)cn1 ZINC000750114153 576976503 /nfs/dbraw/zinc/97/65/03/576976503.db2.gz AVPSJEYBDVMQIM-UHFFFAOYSA-N 0 0 276.252 1.389 20 5 CDBDRN CO[C@@H](C)CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000750155692 576979059 /nfs/dbraw/zinc/97/90/59/576979059.db2.gz OLBLLSHPVIRMHT-VIFPVBQESA-N 0 0 296.279 1.502 20 5 CDBDRN CCCNC(=O)COc1ccc(N)c([N+](=O)[O-])c1 ZINC000750606569 576997125 /nfs/dbraw/zinc/99/71/25/576997125.db2.gz VPVQMEMXYGGHAE-UHFFFAOYSA-N 0 0 253.258 1.082 20 5 CDBDRN Cn1cc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cn1 ZINC000758076915 577071168 /nfs/dbraw/zinc/07/11/68/577071168.db2.gz PPSVFIMQAXVKFW-UHFFFAOYSA-N 0 0 294.242 1.407 20 5 CDBDRN CO[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000751947208 577077285 /nfs/dbraw/zinc/07/72/85/577077285.db2.gz MYMWDQCKXTZGRS-JTQLQIEISA-N 0 0 254.290 1.086 20 5 CDBDRN Cc1nn(CN2CCOCC3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000758972599 577144888 /nfs/dbraw/zinc/14/48/88/577144888.db2.gz DOMSHSXJPYFJSN-UHFFFAOYSA-N 0 0 294.355 1.868 20 5 CDBDRN COC(=O)[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000753101952 577146059 /nfs/dbraw/zinc/14/60/59/577146059.db2.gz MXSGKARECCZMPW-ZETCQYMHSA-N 0 0 284.243 1.334 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)[O-] ZINC000178913070 596904572 /nfs/dbraw/zinc/90/45/72/596904572.db2.gz YFXKYHAFBUMDKC-UHFFFAOYSA-N 0 0 295.295 1.248 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)[O-] ZINC000820853330 598215960 /nfs/dbraw/zinc/21/59/60/598215960.db2.gz IWZPVKYXZVPWGS-MRVPVSSYSA-N 0 0 268.269 1.556 20 5 CDBDRN CC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820933251 606879552 /nfs/dbraw/zinc/87/95/52/606879552.db2.gz TYQRYRGRKHSKMG-VIFPVBQESA-N 0 0 292.299 1.348 20 5 CDBDRN O=[N+]([O-])CCOc1cccc(I)c1 ZINC000899232281 622106383 /nfs/dbraw/zinc/10/63/83/622106383.db2.gz YBFVZWJXEHJDRO-UHFFFAOYSA-N 0 0 293.060 1.947 20 5 CDBDRN C[C@@]1(C2CC2)COCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000890583227 617219292 /nfs/dbraw/zinc/21/92/92/617219292.db2.gz FUNBRQGDGLATBE-ZDUSSCGKSA-N 0 0 279.296 1.564 20 5 CDBDRN C[S@@](=O)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000134711420 617258893 /nfs/dbraw/zinc/25/88/93/617258893.db2.gz QPJFXQHNWIEJTM-KRWDZBQOSA-N 0 0 260.290 1.914 20 5 CDBDRN Cc1c(CC(=O)N2CC[C@H](O)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000890696440 617283756 /nfs/dbraw/zinc/28/37/56/617283756.db2.gz ZETJEXZJKJTYBT-YPMHNXCESA-N 0 0 296.298 1.377 20 5 CDBDRN C[C@H]1COC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000932487377 617314378 /nfs/dbraw/zinc/31/43/78/617314378.db2.gz AFMKQSPUQXLOOO-JVXZTZIISA-N 0 0 272.251 1.998 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1Cc2ccc(F)cc21 ZINC000860920780 617328927 /nfs/dbraw/zinc/32/89/27/617328927.db2.gz HMBCCWMCTUZBPG-LLVKDONJSA-N 0 0 253.229 1.675 20 5 CDBDRN O=C(N[C@@H]1COC[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000891026389 617353424 /nfs/dbraw/zinc/35/34/24/617353424.db2.gz CBUBMEWGKWFWQK-GXSJLCMTSA-N 0 0 294.282 1.889 20 5 CDBDRN O=C(N=S1(=O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000891357460 617363852 /nfs/dbraw/zinc/36/38/52/617363852.db2.gz HAPRSOCTUWBZRE-UHFFFAOYSA-N 0 0 284.293 1.233 20 5 CDBDRN CN(CC(=O)NC/C=C/Cl)c1ccccc1[N+](=O)[O-] ZINC000891205756 617380761 /nfs/dbraw/zinc/38/07/61/617380761.db2.gz KEAQWEWTQUOYSK-QPJJXVBHSA-N 0 0 283.715 1.900 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)OCCc1cncs1 ZINC000811124306 617408025 /nfs/dbraw/zinc/40/80/25/617408025.db2.gz FCXKRMXWVPYKTA-UHFFFAOYSA-N 0 0 282.281 1.034 20 5 CDBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(OC)C2)cc1C ZINC000892500347 617434209 /nfs/dbraw/zinc/43/42/09/617434209.db2.gz QSHNNQDPJPJOAN-UHFFFAOYSA-N 0 0 294.307 1.915 20 5 CDBDRN CC[C@H](C)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1OC ZINC000892500849 617436299 /nfs/dbraw/zinc/43/62/99/617436299.db2.gz CCZLHERPFNOBCV-WPRPVWTQSA-N 0 0 269.301 1.817 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1NCCOCC(F)(F)F ZINC000891684253 617538173 /nfs/dbraw/zinc/53/81/73/617538173.db2.gz CZZLVPFTNBPBNP-UHFFFAOYSA-N 0 0 295.217 1.989 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N(C)Cc1cc(C)on1 ZINC000891751909 617569704 /nfs/dbraw/zinc/56/97/04/617569704.db2.gz AJGWGUYYBKZBHP-UHFFFAOYSA-N 0 0 278.268 1.931 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(=O)C[C@@H]1C1CC1 ZINC000891767319 617576603 /nfs/dbraw/zinc/57/66/03/617576603.db2.gz HJSBXPLJJVDTMO-SNVBAGLBSA-N 0 0 278.264 1.772 20 5 CDBDRN CCc1n[nH]c(C(=O)NOCC2CCC2)c1[N+](=O)[O-] ZINC000856346933 617633893 /nfs/dbraw/zinc/63/38/93/617633893.db2.gz AABFVNFIIVTXED-UHFFFAOYSA-N 0 0 268.273 1.342 20 5 CDBDRN C[C@H]1C[C@H](C(=O)OCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000776412416 617638041 /nfs/dbraw/zinc/63/80/41/617638041.db2.gz GMQQWPUGBJUOIN-VHSXEESVSA-N 0 0 283.284 1.150 20 5 CDBDRN Cc1ccc(NC(=O)C(=O)N(C)CCCF)cc1[N+](=O)[O-] ZINC000892309883 617746975 /nfs/dbraw/zinc/74/69/75/617746975.db2.gz CLWGLPKPYZCXJB-UHFFFAOYSA-N 0 0 297.286 1.660 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000891920554 617772745 /nfs/dbraw/zinc/77/27/45/617772745.db2.gz GPGIURVCEQWWAM-SECBINFHSA-N 0 0 276.300 1.435 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCc1ccc([S@](C)=O)cc1 ZINC000892852178 617829373 /nfs/dbraw/zinc/82/93/73/617829373.db2.gz WLJANDHKYOGTOE-FQEVSTJZSA-N 0 0 294.336 1.678 20 5 CDBDRN C[C@H](C[C@@H]1CCOC1)Nc1c([N+](=O)[O-])cnn1C ZINC000892907755 617887074 /nfs/dbraw/zinc/88/70/74/617887074.db2.gz AOOGFYGFADUKGH-BDAKNGLRSA-N 0 0 254.290 1.555 20 5 CDBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)CC[S@]1=O ZINC000893486326 617982650 /nfs/dbraw/zinc/98/26/50/617982650.db2.gz DMGWIGCJDAIIBB-WPCRTTGESA-N 0 0 287.316 1.476 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[S@@](=O)C1 ZINC000361002263 617998688 /nfs/dbraw/zinc/99/86/88/617998688.db2.gz LVEXMYYJRIGFRR-DCXZOGHSSA-N 0 0 272.330 1.053 20 5 CDBDRN C[C@@H]1CC(Nc2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000893070684 618121871 /nfs/dbraw/zinc/12/18/71/618121871.db2.gz IGHCVUOQMGUROX-HTQZYQBOSA-N 0 0 254.290 1.696 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000893075529 618136569 /nfs/dbraw/zinc/13/65/69/618136569.db2.gz BSDGITHTGFRPPS-PWSUYJOCSA-N 0 0 278.308 1.819 20 5 CDBDRN Cn1c(CNc2ncc([N+](=O)[O-])cc2F)nnc1C1CC1 ZINC000893100173 618169365 /nfs/dbraw/zinc/16/93/65/618169365.db2.gz AWTPPPVSPNRNDN-UHFFFAOYSA-N 0 0 292.274 1.747 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC3(C2)CCOCC3)s1 ZINC000893936594 618197359 /nfs/dbraw/zinc/19/73/59/618197359.db2.gz BDPXOGISQVBSMW-UHFFFAOYSA-N 0 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Cc1nc(N[C@H]2CC(=O)N(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268541510 132024584 /nfs/dbraw/zinc/02/45/84/132024584.db2.gz ZHLFKLBMKHEVET-JTQLQIEISA-N 0 0 278.312 1.719 20 5 CDBDRN CC(C)[C@H](O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000268666280 132045331 /nfs/dbraw/zinc/04/53/31/132045331.db2.gz RFXJAKNCTVZUGS-CYBMUJFWSA-N 0 0 295.339 1.530 20 5 CDBDRN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc(C)n1 ZINC000421578356 392939418 /nfs/dbraw/zinc/93/94/18/392939418.db2.gz QTESYQJZGXYNLI-UHFFFAOYSA-N 0 0 289.295 1.270 20 5 CDBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1CCC1 ZINC000269142148 132120497 /nfs/dbraw/zinc/12/04/97/132120497.db2.gz ITAMXVDVALTEEI-UHFFFAOYSA-N 0 0 285.325 1.454 20 5 CDBDRN Cc1sc(C(=O)N2CC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000422094187 392953545 /nfs/dbraw/zinc/95/35/45/392953545.db2.gz SKUFXWGLKXPHAJ-LBPRGKRZSA-N 0 0 282.321 1.970 20 5 CDBDRN CO[C@H]1C[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N2C1 ZINC000036756258 392956526 /nfs/dbraw/zinc/95/65/26/392956526.db2.gz NFQCRGVUQDJXOL-WDEREUQCSA-N 0 0 291.263 1.151 20 5 CDBDRN C[C@H](Cn1cccn1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024807528 139597711 /nfs/dbraw/zinc/59/77/11/139597711.db2.gz RFUUQXIYKJUORT-SNVBAGLBSA-N 0 0 274.280 1.610 20 5 CDBDRN COc1ccc(CNC(=O)[C@]2(C)C[C@H]2F)cc1[N+](=O)[O-] ZINC000424602002 392975228 /nfs/dbraw/zinc/97/52/28/392975228.db2.gz VUEPRJPKAGCIDD-DGCLKSJQSA-N 0 0 282.271 1.968 20 5 CDBDRN COC(=O)[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430241673 393095513 /nfs/dbraw/zinc/09/55/13/393095513.db2.gz ODUBUVWVFCBFIE-SECBINFHSA-N 0 0 282.296 1.597 20 5 CDBDRN Cc1ccnc(N2CC(OCC(F)F)C2)c1[N+](=O)[O-] ZINC000531194785 393059555 /nfs/dbraw/zinc/05/95/55/393059555.db2.gz HITAHVCDXXZESD-UHFFFAOYSA-N 0 0 273.239 1.769 20 5 CDBDRN CNC(=O)c1ccc(N(C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000531563499 393063238 /nfs/dbraw/zinc/06/32/38/393063238.db2.gz YCLQTIIAZNDRSF-UHFFFAOYSA-N 0 0 295.339 1.816 20 5 CDBDRN COCCCCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000282063583 393171581 /nfs/dbraw/zinc/17/15/81/393171581.db2.gz UTUNWVRKBPIMBI-UHFFFAOYSA-N 0 0 296.323 1.825 20 5 CDBDRN [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000449643600 393137872 /nfs/dbraw/zinc/13/78/72/393137872.db2.gz ILEXJDOOCUOCNY-MWLCHTKSSA-N 0 0 293.323 1.548 20 5 CDBDRN CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332605559 393153079 /nfs/dbraw/zinc/15/30/79/393153079.db2.gz BWJOEUQVYJZOIB-KCJUWKMLSA-N 0 0 267.285 1.156 20 5 CDBDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H](CO)C1CC1 ZINC000493814940 393222233 /nfs/dbraw/zinc/22/22/33/393222233.db2.gz DXGJRCDASTVQIE-SBDDDAINSA-N 0 0 290.319 1.743 20 5 CDBDRN COC(=O)N(C)CC(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000494159874 393227352 /nfs/dbraw/zinc/22/73/52/393227352.db2.gz ONNMLZLCXYYVSI-UHFFFAOYSA-N 0 0 282.252 1.507 20 5 CDBDRN O=C1OCC[C@H]2CN(c3ncccc3[N+](=O)[O-])CCN12 ZINC000494132229 393227548 /nfs/dbraw/zinc/22/75/48/393227548.db2.gz HUZKYDWVMQCHFT-VIFPVBQESA-N 0 0 278.268 1.021 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CSc1nc2c([nH]1)CCC2 ZINC000487877933 393284996 /nfs/dbraw/zinc/28/49/96/393284996.db2.gz OWUIHQXLNUZPQG-UHFFFAOYSA-N 0 0 279.325 1.832 20 5 CDBDRN CCNC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193549100 393372551 /nfs/dbraw/zinc/37/25/51/393372551.db2.gz HKVYTVQMBGDXEJ-UHFFFAOYSA-N 0 0 280.284 1.161 20 5 CDBDRN Cc1cc(N2CCC(F)(F)[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC000292247691 134478371 /nfs/dbraw/zinc/47/83/71/134478371.db2.gz GWGAPRBYNPBESN-VIFPVBQESA-N 0 0 287.266 1.752 20 5 CDBDRN COc1ccc(OCC(=O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000078055847 139650572 /nfs/dbraw/zinc/65/05/72/139650572.db2.gz QMWZKMDXLCAIFP-UHFFFAOYSA-N 0 0 291.263 1.599 20 5 CDBDRN C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000171321182 292892828 /nfs/dbraw/zinc/89/28/28/292892828.db2.gz HUGOGERTNKPPQO-NSHDSACASA-N 0 0 293.323 1.915 20 5 CDBDRN CCCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000124107761 139795167 /nfs/dbraw/zinc/79/51/67/139795167.db2.gz TUOGBBQPONFIKQ-ZDUSSCGKSA-N 0 0 277.280 1.772 20 5 CDBDRN CCNC(=O)CNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000130871121 139831202 /nfs/dbraw/zinc/83/12/02/139831202.db2.gz BQVZZLWIYRJFFU-UHFFFAOYSA-N 0 0 288.307 1.999 20 5 CDBDRN O=c1oc2cccnc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000178216321 140001389 /nfs/dbraw/zinc/00/13/89/140001389.db2.gz LHAUCWZUGPLMEZ-UHFFFAOYSA-N 0 0 271.232 1.946 20 5 CDBDRN CCC[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000180252054 140015232 /nfs/dbraw/zinc/01/52/32/140015232.db2.gz RWOWLRZNTFDFFC-LLVKDONJSA-N 0 0 256.258 1.469 20 5 CDBDRN C[C@@H](C(=O)N1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185560329 140042351 /nfs/dbraw/zinc/04/23/51/140042351.db2.gz NFKAKADGQQQAKJ-MWLCHTKSSA-N 0 0 296.298 1.821 20 5 CDBDRN O=C(NCCN1CCCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000189432578 140116406 /nfs/dbraw/zinc/11/64/06/140116406.db2.gz OSGHFRSPMGWRJK-UHFFFAOYSA-N 0 0 299.352 1.108 20 5 CDBDRN CSc1ccc(C(=O)NCCCC(N)=O)cc1[N+](=O)[O-] ZINC000193154282 140144635 /nfs/dbraw/zinc/14/46/35/140144635.db2.gz QJTYAWXQLZNJSD-UHFFFAOYSA-N 0 0 297.336 1.312 20 5 CDBDRN CCN1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000195308894 140152700 /nfs/dbraw/zinc/15/27/00/140152700.db2.gz ZZKZNCGQDZHUIW-UHFFFAOYSA-N 0 0 293.323 1.381 20 5 CDBDRN CNC(=O)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000213976960 140161308 /nfs/dbraw/zinc/16/13/08/140161308.db2.gz WREYJHYRGCOURY-UHFFFAOYSA-N 0 0 274.280 1.691 20 5 CDBDRN Cc1nccc(CNc2ncc([N+](=O)[O-])s2)n1 ZINC000226770417 140181205 /nfs/dbraw/zinc/18/12/05/140181205.db2.gz BDVJOPQLTBPSTB-UHFFFAOYSA-N 0 0 251.271 1.762 20 5 CDBDRN Cc1c(C(=O)N[C@@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228170796 140191916 /nfs/dbraw/zinc/19/19/16/140191916.db2.gz NZXFZWGBUGYUEB-IUCAKERBSA-N 0 0 266.297 1.792 20 5 CDBDRN COc1ccc(C(=O)N[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228194674 140191932 /nfs/dbraw/zinc/19/19/32/140191932.db2.gz ZHGOJYGQBAILNU-RKDXNWHRSA-N 0 0 282.296 1.493 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCSCC1 ZINC000230697063 140213656 /nfs/dbraw/zinc/21/36/56/140213656.db2.gz SQLUEWBVSAYQHB-UHFFFAOYSA-N 0 0 296.352 1.445 20 5 CDBDRN CNc1c(C(=O)N2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000231525150 140216119 /nfs/dbraw/zinc/21/61/19/140216119.db2.gz CURREIAPODDQCW-BXKDBHETSA-N 0 0 293.323 1.479 20 5 CDBDRN O=C1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CN1 ZINC000232180718 140220688 /nfs/dbraw/zinc/22/06/88/140220688.db2.gz SUKLGRHYSJKCPY-SSDOTTSWSA-N 0 0 289.213 1.914 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCC[NH2+]1 ZINC000236582984 140241498 /nfs/dbraw/zinc/24/14/98/140241498.db2.gz ZYAXBCRRJBLAMW-SECBINFHSA-N 0 0 265.269 1.381 20 5 CDBDRN CO[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000441463381 285706220 /nfs/dbraw/zinc/70/62/20/285706220.db2.gz LBFFQVFEVDZWFQ-WCBMZHEXSA-N 0 0 296.327 1.276 20 5 CDBDRN CC[C@@H](O)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000126012830 147503697 /nfs/dbraw/zinc/50/36/97/147503697.db2.gz HVPWWTAUVWUJHZ-LLVKDONJSA-N 0 0 252.270 1.404 20 5 CDBDRN CC[C@@H](COC)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000151160933 397609386 /nfs/dbraw/zinc/60/93/86/397609386.db2.gz SARDLXMXOQSDAC-NSHDSACASA-N 0 0 266.297 1.679 20 5 CDBDRN O=C(NCCF)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000437711220 397609463 /nfs/dbraw/zinc/60/94/63/397609463.db2.gz XXRRMYPVDADMOW-UHFFFAOYSA-N 0 0 251.217 1.775 20 5 CDBDRN Cn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000048909787 146849131 /nfs/dbraw/zinc/84/91/31/146849131.db2.gz OBNLIHYMPYZJFR-UHFFFAOYSA-N 0 0 275.268 1.650 20 5 CDBDRN CC[C@@H](C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000047339683 397844629 /nfs/dbraw/zinc/84/46/29/397844629.db2.gz ANEFHMDHMCPPMG-MRVPVSSYSA-N 0 0 293.279 1.417 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(S[C@@H](C)[C@@H](C)O)n1 ZINC000234553580 397983356 /nfs/dbraw/zinc/98/33/56/397983356.db2.gz JWZXMLWBWGQCPK-RQJHMYQMSA-N 0 0 286.309 1.638 20 5 CDBDRN CN(CC(F)F)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000103396065 147175394 /nfs/dbraw/zinc/17/53/94/147175394.db2.gz LYPHWCNURGIZRL-UHFFFAOYSA-N 0 0 276.243 1.250 20 5 CDBDRN C[C@H](CO)N(C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000123052635 147424189 /nfs/dbraw/zinc/42/41/89/147424189.db2.gz PQWQUGKFFVJJML-SECBINFHSA-N 0 0 261.281 1.960 20 5 CDBDRN Cc1nn(C[C@@H](O)COc2ccccc2C)cc1[N+](=O)[O-] ZINC000179854580 148133867 /nfs/dbraw/zinc/13/38/67/148133867.db2.gz COVLKNYQNMOQCE-GFCCVEGCSA-N 0 0 291.307 1.848 20 5 CDBDRN COC[C@@H](C)OC[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000352437080 155187340 /nfs/dbraw/zinc/18/73/40/155187340.db2.gz LTKSOWBVILERDM-MWLCHTKSSA-N 0 0 299.327 1.081 20 5 CDBDRN CC1(C)C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352476002 155212759 /nfs/dbraw/zinc/21/27/59/155212759.db2.gz GDSHUOVZPXESCE-SECBINFHSA-N 0 0 284.337 1.919 20 5 CDBDRN CCOC[C@@H](O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000310951123 149205667 /nfs/dbraw/zinc/20/56/67/149205667.db2.gz NSAYGPXPMMPYCV-JTQLQIEISA-N 0 0 254.286 1.713 20 5 CDBDRN O=c1[nH]c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000313472432 149244915 /nfs/dbraw/zinc/24/49/15/149244915.db2.gz GAUWUNMWPXNQOJ-UHFFFAOYSA-N 0 0 299.645 1.698 20 5 CDBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1ncc([N+](=O)[O-])s1 ZINC000286393445 286122221 /nfs/dbraw/zinc/12/22/21/286122221.db2.gz PCDSNCMBCCYHMR-BOYPTNNESA-N 0 0 281.337 1.911 20 5 CDBDRN CO[C@](C)(CNc1c([N+](=O)[O-])c(C)nn1C)C1CC1 ZINC000292277851 286146801 /nfs/dbraw/zinc/14/68/01/286146801.db2.gz JIDPZOQOEPTRMN-GFCCVEGCSA-N 0 0 268.317 1.864 20 5 CDBDRN CC(C)(C)OCCCCn1ncc([N+](=O)[O-])c1N ZINC000352554150 155267300 /nfs/dbraw/zinc/26/73/00/155267300.db2.gz PRAOEZWCCBUNAM-UHFFFAOYSA-N 0 0 256.306 1.969 20 5 CDBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC(F)C1 ZINC000335816587 151044260 /nfs/dbraw/zinc/04/42/60/151044260.db2.gz DJMFBRZFIAMROB-UHFFFAOYSA-N 0 0 263.228 1.870 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(F)C1 ZINC000335940394 151134561 /nfs/dbraw/zinc/13/45/61/151134561.db2.gz CPDVFZITORMZNM-NSHDSACASA-N 0 0 255.249 1.507 20 5 CDBDRN Cc1cccc(C(=O)N[C@@H]2CC[S@@](=O)C2)c1[N+](=O)[O-] ZINC000342737514 151903102 /nfs/dbraw/zinc/90/31/02/151903102.db2.gz IKJCHVHHMAQTTD-AYLIAGHASA-N 0 0 282.321 1.154 20 5 CDBDRN CCCN(CCO)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000343013961 151995127 /nfs/dbraw/zinc/99/51/27/151995127.db2.gz NWODKBLWJGYMLR-UHFFFAOYSA-N 0 0 291.307 1.921 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(NCCC3(O)CCC3)c21 ZINC000343155526 152052463 /nfs/dbraw/zinc/05/24/63/152052463.db2.gz GOQTYKSFFDZWMA-UHFFFAOYSA-N 0 0 288.307 1.677 20 5 CDBDRN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000343202233 152067134 /nfs/dbraw/zinc/06/71/34/152067134.db2.gz DJGJUJDEAXCGKW-ZCFIWIBFSA-N 0 0 295.324 1.488 20 5 CDBDRN O=C(Nc1ccc(F)cn1)c1cc([N+](=O)[O-])c[nH]1 ZINC000343252911 152085269 /nfs/dbraw/zinc/08/52/69/152085269.db2.gz CLRVJLTXZMNPRZ-UHFFFAOYSA-N 0 0 250.189 1.709 20 5 CDBDRN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@@H]1O ZINC000343294527 152107171 /nfs/dbraw/zinc/10/71/71/152107171.db2.gz WZVZJOWBZBODRJ-UWVGGRQHSA-N 0 0 271.704 1.993 20 5 CDBDRN CS[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)C(C)(C)C ZINC000343454020 152186517 /nfs/dbraw/zinc/18/65/17/152186517.db2.gz QQVSSWGGTNKCKH-MRVPVSSYSA-N 0 0 285.373 1.987 20 5 CDBDRN CC[C@H](O)CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000343566207 152226506 /nfs/dbraw/zinc/22/65/06/152226506.db2.gz ZMDJNWRCXAQOJP-NSHDSACASA-N 0 0 296.323 1.884 20 5 CDBDRN CCOC(=O)[C@H](C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000343613377 152244130 /nfs/dbraw/zinc/24/41/30/152244130.db2.gz QLGKITDGZJJDRK-NSHDSACASA-N 0 0 296.323 1.857 20 5 CDBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CCCCS1(=O)=O ZINC000343630538 152250321 /nfs/dbraw/zinc/25/03/21/152250321.db2.gz UMQCHIKNKSKRAB-SNVBAGLBSA-N 0 0 284.337 1.974 20 5 CDBDRN CC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)(C)C ZINC000343682184 152265575 /nfs/dbraw/zinc/26/55/75/152265575.db2.gz VKXJIMVOBIOYKY-MRVPVSSYSA-N 0 0 254.290 1.872 20 5 CDBDRN O=C(NC[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343838218 152320969 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C[C@H]1C(=O)NCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000271577495 290313071 /nfs/dbraw/zinc/31/30/71/290313071.db2.gz CUPVOWYNTHOSEJ-ZETCQYMHSA-N 0 0 269.688 1.573 20 5 CDBDRN CCc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])cn2C)o1 ZINC000558192465 290383545 /nfs/dbraw/zinc/38/35/45/290383545.db2.gz LDZLZMUIZSGFTF-UHFFFAOYSA-N 0 0 292.295 1.722 20 5 CDBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000558765189 290424314 /nfs/dbraw/zinc/42/43/14/290424314.db2.gz XBIHACGTZJFTPK-UHFFFAOYSA-N 0 0 250.258 1.334 20 5 CDBDRN C[C@H](O)C(C)(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000163004291 292835245 /nfs/dbraw/zinc/83/52/45/292835245.db2.gz DLDUHSFWLRRBOM-JARNTUPDSA-N 0 0 278.308 1.884 20 5 CDBDRN Cc1cnc(N2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000266215049 292915802 /nfs/dbraw/zinc/91/58/02/292915802.db2.gz OTVCSADVYZQYIK-UHFFFAOYSA-N 0 0 259.269 1.584 20 5 CDBDRN Cc1nc(N2CC3(CCC3(F)F)C2)ncc1[N+](=O)[O-] ZINC000450534045 293292559 /nfs/dbraw/zinc/29/25/59/293292559.db2.gz ZWOSBDKARVJSGP-UHFFFAOYSA-N 0 0 270.239 1.929 20 5 CDBDRN Cc1nc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000365283043 293304980 /nfs/dbraw/zinc/30/49/80/293304980.db2.gz VIRRCVTUTLDGMN-KWBADKCTSA-N 0 0 290.323 1.388 20 5 CDBDRN C[C@H](O)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000571980155 294532983 /nfs/dbraw/zinc/53/29/83/294532983.db2.gz BSBKTPWKCRIXHL-IUCAKERBSA-N 0 0 269.276 1.869 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1COCCO1)CCN2 ZINC000572344551 294603005 /nfs/dbraw/zinc/60/30/05/294603005.db2.gz XRGGWHBZINUBIF-SECBINFHSA-N 0 0 279.296 1.390 20 5 CDBDRN NC(=O)C[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283771121 295054555 /nfs/dbraw/zinc/05/45/55/295054555.db2.gz OUSXUOHDKQECGB-VIFPVBQESA-N 0 0 278.312 1.269 20 5 CDBDRN COc1cccc(C(=O)N2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192909538 295286231 /nfs/dbraw/zinc/28/62/31/295286231.db2.gz VKCZJFPBKAMQIZ-MWLCHTKSSA-N 0 0 294.307 1.446 20 5 CDBDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1c1ncccc1[N+](=O)[O-] ZINC000265618206 297710252 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282.300 1.255 20 5 CDBDRN C[C@@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000577216092 317286853 /nfs/dbraw/zinc/28/68/53/317286853.db2.gz FXUYXIIYBKPEKQ-WCQYABFASA-N 0 0 282.271 1.838 20 5 CDBDRN CC(C)n1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000577322304 317306653 /nfs/dbraw/zinc/30/66/53/317306653.db2.gz PACAGNZVIVIGCB-UHFFFAOYSA-N 0 0 292.299 1.036 20 5 CDBDRN CN(CCN1CCCC1=O)c1ncc([N+](=O)[O-])cc1F ZINC000577469205 317335041 /nfs/dbraw/zinc/33/50/41/317335041.db2.gz LVZXXOVFRNWSNQ-UHFFFAOYSA-N 0 0 282.275 1.188 20 5 CDBDRN Cc1noc([C@H](C)N(C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000577742717 317394955 /nfs/dbraw/zinc/39/49/55/317394955.db2.gz DJLVIGOQLKMQEH-QMMMGPOBSA-N 0 0 280.288 1.176 20 5 CDBDRN COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182421176 323280145 /nfs/dbraw/zinc/28/01/45/323280145.db2.gz BUSBXYVFNZHKCQ-UHFFFAOYSA-N 0 0 266.253 1.795 20 5 CDBDRN C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184448547 323362873 /nfs/dbraw/zinc/36/28/73/323362873.db2.gz 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324332487 /nfs/dbraw/zinc/33/24/87/324332487.db2.gz IDJHZELDWDIYFQ-UHFFFAOYSA-N 0 0 292.339 1.858 20 5 CDBDRN Nc1nccc(C(=O)N[C@@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC000579977371 324336501 /nfs/dbraw/zinc/33/65/01/324336501.db2.gz BZAKABYQEVYDJF-RKDXNWHRSA-N 0 0 282.275 1.413 20 5 CDBDRN Cc1nn(C)c(C(=O)NCc2ccc(C)cn2)c1[N+](=O)[O-] ZINC000580555765 324496011 /nfs/dbraw/zinc/49/60/11/324496011.db2.gz XWAKVBVWQSPYAX-UHFFFAOYSA-N 0 0 289.295 1.270 20 5 CDBDRN CCO[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000581349447 324718855 /nfs/dbraw/zinc/71/88/55/324718855.db2.gz VTDFEGGNLQPBIL-KOLCDFICSA-N 0 0 280.280 1.511 20 5 CDBDRN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000583355095 325157055 /nfs/dbraw/zinc/15/70/55/325157055.db2.gz YSPFUMDCEZDIBL-DTORHVGOSA-N 0 0 285.325 1.002 20 5 CDBDRN COc1ccc(C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000583698966 325225516 /nfs/dbraw/zinc/22/55/16/325225516.db2.gz XAVOQCNZIRDQKC-BDAKNGLRSA-N 0 0 282.296 1.802 20 5 CDBDRN 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C[C@@H](OCc1ccccc1)C(=O)OCCC[N+](=O)[O-] ZINC000860913497 759009662 /nfs/dbraw/zinc/00/96/62/759009662.db2.gz CPBPKCXGZIQHHM-LLVKDONJSA-N 0 0 267.281 1.802 20 5 CDBDRN CO[C@@H](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000195357270 759027056 /nfs/dbraw/zinc/02/70/56/759027056.db2.gz WNGVBZYUSPYFOE-VIFPVBQESA-N 0 0 264.281 1.909 20 5 CDBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](CO)C1 ZINC000037669314 759030466 /nfs/dbraw/zinc/03/04/66/759030466.db2.gz FPIWHVGKJDELJU-VIFPVBQESA-N 0 0 282.271 1.578 20 5 CDBDRN CCCONC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000844084330 771034707 /nfs/dbraw/zinc/03/47/07/771034707.db2.gz LLPOKSWOWOWOIU-UHFFFAOYSA-N 0 0 268.269 1.604 20 5 CDBDRN Cc1csc([C@@H](NCC[N+](=O)[O-])C(F)(F)F)n1 ZINC000930598307 773050130 /nfs/dbraw/zinc/05/01/30/773050130.db2.gz NQHMLESBYDIDFA-ZCFIWIBFSA-N 0 0 269.248 1.921 20 5 CDBDRN CCOCCO[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125450 771392518 /nfs/dbraw/zinc/39/25/18/771392518.db2.gz COTGBUJTNJPSGN-SECBINFHSA-N 0 0 263.290 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366707287 /nfs/dbraw/zinc/70/72/87/366707287.db2.gz LYPPHLIFNFCKJX-VXNVDRBHSA-N 0 0 254.290 1.079 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@@H]1O ZINC000186770330 238559943 /nfs/dbraw/zinc/55/99/43/238559943.db2.gz FCUKXMQJNTUZNA-CPCISQLKSA-N 0 0 297.286 1.159 20 5 CDBDRN Cc1cc(N(CCO)CC2CC2)ncc1[N+](=O)[O-] ZINC000301487580 201026599 /nfs/dbraw/zinc/02/65/99/201026599.db2.gz YXLOIECVYVXHMH-UHFFFAOYSA-N 0 0 251.286 1.507 20 5 CDBDRN CN(C[C@@H]1CCOC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000301563728 201070799 /nfs/dbraw/zinc/07/07/99/201070799.db2.gz JCUXQOZTHPCJAG-QMMMGPOBSA-N 0 0 282.325 1.777 20 5 CDBDRN COc1cc(N[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000301640636 201109606 /nfs/dbraw/zinc/10/96/06/201109606.db2.gz GLHWGNKYTYTRKF-SECBINFHSA-N 0 0 297.286 1.775 20 5 CDBDRN O=C(NC1CC1)c1ccc(N[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000301768149 201184627 /nfs/dbraw/zinc/18/46/27/201184627.db2.gz ITZGIAQWOKBUPD-NSHDSACASA-N 0 0 291.307 1.688 20 5 CDBDRN O=[N+]([O-])c1cnn(CCNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000301737402 201167373 /nfs/dbraw/zinc/16/73/73/201167373.db2.gz VUBUNBKNKQNGCS-UHFFFAOYSA-N 0 0 295.230 1.951 20 5 CDBDRN O=[N+]([O-])c1ccc(NCC2CCS(=O)(=O)CC2)nc1 ZINC000301807975 201210186 /nfs/dbraw/zinc/21/01/86/201210186.db2.gz ATEDXWDJKXBMNW-UHFFFAOYSA-N 0 0 285.325 1.227 20 5 CDBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCCO1 ZINC000301817510 201214843 /nfs/dbraw/zinc/21/48/43/201214843.db2.gz FHEQKYATIGXIII-VXNVDRBHSA-N 0 0 267.289 1.337 20 5 CDBDRN COCCN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301873914 201243548 /nfs/dbraw/zinc/24/35/48/201243548.db2.gz IAKWHYVBVHYKEM-UHFFFAOYSA-N 0 0 288.325 1.081 20 5 CDBDRN CC(=O)N1CC[C@H](CN(C)c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000301877313 201246102 /nfs/dbraw/zinc/24/61/02/201246102.db2.gz YQYRXVFLAAGYNY-GFCCVEGCSA-N 0 0 292.339 1.603 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000572725572 361679273 /nfs/dbraw/zinc/67/92/73/361679273.db2.gz TXSZXYDEBLSGPT-SECBINFHSA-N 0 0 278.312 1.527 20 5 CDBDRN O=C1C[C@@H](Nc2sccc2[N+](=O)[O-])CN1C1CC1 ZINC000302045537 201316375 /nfs/dbraw/zinc/31/63/75/201316375.db2.gz XZDAXYVIPUYQND-SSDOTTSWSA-N 0 0 267.310 1.832 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(CO)CCC1 ZINC000302139938 201361335 /nfs/dbraw/zinc/36/13/35/201361335.db2.gz JCGYFLPSZRDJSQ-UHFFFAOYSA-N 0 0 293.323 1.529 20 5 CDBDRN Cc1ccc(NC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000366613178 363868960 /nfs/dbraw/zinc/86/89/60/363868960.db2.gz WQLTUUFOIDUFAG-GDNZZTSVSA-N 0 0 291.307 1.605 20 5 CDBDRN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000456141892 363845804 /nfs/dbraw/zinc/84/58/04/363845804.db2.gz IDCPFMOXKQBLIU-GXFFZTMASA-N 0 0 293.323 1.450 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCCSCCCO)c1 ZINC000161711928 363902057 /nfs/dbraw/zinc/90/20/57/363902057.db2.gz AGVXKFOYTHZZKH-UHFFFAOYSA-N 0 0 298.364 1.749 20 5 CDBDRN CNc1nccc(C(=O)N(C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000580657302 363931265 /nfs/dbraw/zinc/93/12/65/363931265.db2.gz MAWGMXFJQZNVBB-MRVPVSSYSA-N 0 0 278.312 1.324 20 5 CDBDRN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC(F)(F)CO ZINC000312279288 239427847 /nfs/dbraw/zinc/42/78/47/239427847.db2.gz WVVBHIKTRPIYEQ-PLNGDYQASA-N 0 0 286.234 1.352 20 5 CDBDRN COc1cnccc1CNc1ncc([N+](=O)[O-])s1 ZINC000585701992 363966550 /nfs/dbraw/zinc/96/65/50/363966550.db2.gz SDDLRDVEIGRSCZ-UHFFFAOYSA-N 0 0 266.282 1.489 20 5 CDBDRN O=[N+]([O-])c1cccc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000367572193 363967665 /nfs/dbraw/zinc/96/76/65/363967665.db2.gz DDVJSHJMWBLIRK-CABCVRRESA-N 0 0 292.335 1.975 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2C[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000345825485 364023438 /nfs/dbraw/zinc/02/34/38/364023438.db2.gz SARBZICKIZNZRX-XINAWCOVSA-N 0 0 274.227 1.264 20 5 CDBDRN O=C(N[C@H]1CC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000456217859 364028508 /nfs/dbraw/zinc/02/85/08/364028508.db2.gz NXPVMHYEROWFDU-LBPRGKRZSA-N 0 0 276.292 1.894 20 5 CDBDRN CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H](C)O ZINC000456217856 364032868 /nfs/dbraw/zinc/03/28/68/364032868.db2.gz FAIWIOHJMXUZNJ-JQWIXIFHSA-N 0 0 280.324 1.721 20 5 CDBDRN NC(=O)c1ccnc(NC2(CF)CCC2)c1[N+](=O)[O-] ZINC000582119362 364068141 /nfs/dbraw/zinc/06/81/41/364068141.db2.gz REAAENOBBSMTEE-UHFFFAOYSA-N 0 0 268.248 1.393 20 5 CDBDRN Cc1ccc([C@@H](O)CNC(=O)CCC(C)(C)[N+](=O)[O-])o1 ZINC000295855530 370701599 /nfs/dbraw/zinc/70/15/99/370701599.db2.gz NZFFYQGEMDZMJQ-JTQLQIEISA-N 0 0 284.312 1.573 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnns1 ZINC000170603834 364232169 /nfs/dbraw/zinc/23/21/69/364232169.db2.gz ZCCWFOGEQDQZTC-UHFFFAOYSA-N 0 0 264.266 1.628 20 5 CDBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](CO)CC(C)(C)C ZINC000456429624 364360656 /nfs/dbraw/zinc/36/06/56/364360656.db2.gz WQDTWHPUWDQIKN-JTQLQIEISA-N 0 0 297.355 1.802 20 5 CDBDRN O=C(NCCC1CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000174568912 364495547 /nfs/dbraw/zinc/49/55/47/364495547.db2.gz ZJIYLVGKTBDGBT-UHFFFAOYSA-N 0 0 251.242 1.225 20 5 CDBDRN CS(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268251552 364550854 /nfs/dbraw/zinc/55/08/54/364550854.db2.gz OUNRCNNEOKHZJF-UHFFFAOYSA-N 0 0 264.690 1.297 20 5 CDBDRN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000042265940 364551240 /nfs/dbraw/zinc/55/12/40/364551240.db2.gz AKGKPLZKFJMCLS-LLVKDONJSA-N 0 0 298.270 1.661 20 5 CDBDRN CCC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103202354 364604489 /nfs/dbraw/zinc/60/44/89/364604489.db2.gz AZTUWTUCSSOICO-UHFFFAOYSA-N 0 0 261.241 1.728 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCn2nccc21 ZINC000367019207 364570499 /nfs/dbraw/zinc/57/04/99/364570499.db2.gz APZLNNMIKMPSAB-UHFFFAOYSA-N 0 0 272.264 1.381 20 5 CDBDRN CO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C12CCC2 ZINC000456613712 364658828 /nfs/dbraw/zinc/65/88/28/364658828.db2.gz GHRZFHXRABTUKX-NXEZZACHSA-N 0 0 294.311 1.348 20 5 CDBDRN Cc1cc(NC[C@@H]2CC[C@H](C(N)=O)O2)ccc1[N+](=O)[O-] ZINC000268310979 364666156 /nfs/dbraw/zinc/66/61/56/364666156.db2.gz JXVFGUYAIFQFAO-CMPLNLGQSA-N 0 0 279.296 1.348 20 5 CDBDRN O=C(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])NC1CC1 ZINC000149107883 364696405 /nfs/dbraw/zinc/69/64/05/364696405.db2.gz HYNOALZVNHOKTR-UHFFFAOYSA-N 0 0 297.698 1.257 20 5 CDBDRN NC(=O)[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000268312035 364725108 /nfs/dbraw/zinc/72/51/08/364725108.db2.gz KHCPYBKOTVOVQO-KCJUWKMLSA-N 0 0 299.714 1.693 20 5 CDBDRN CC[C@H](O)[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456670895 364748737 /nfs/dbraw/zinc/74/87/37/364748737.db2.gz ORRGKPOFKOMTPN-KWQFWETISA-N 0 0 296.327 1.311 20 5 CDBDRN COc1cccc(C(=O)NC[C@@H](O)C2CCC2)c1[N+](=O)[O-] ZINC000456887543 364795155 /nfs/dbraw/zinc/79/51/55/364795155.db2.gz ULVHBYPIHMMCQY-LLVKDONJSA-N 0 0 294.307 1.494 20 5 CDBDRN CCOc1cc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000104253639 364804279 /nfs/dbraw/zinc/80/42/79/364804279.db2.gz GRSXEQPJIXTTKR-JTQLQIEISA-N 0 0 266.297 1.812 20 5 CDBDRN NC(=O)[C@@H]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000268358246 364751808 /nfs/dbraw/zinc/75/18/08/364751808.db2.gz WBZIEUODAIJVPV-KWQFWETISA-N 0 0 299.714 1.693 20 5 CDBDRN CCn1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000412474428 240231547 /nfs/dbraw/zinc/23/15/47/240231547.db2.gz ANHHAFDAZINBFJ-UHFFFAOYSA-N 0 0 288.307 1.670 20 5 CDBDRN CCO[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000456966581 364985666 /nfs/dbraw/zinc/98/56/66/364985666.db2.gz XVHIFBGJMXXTCH-GHMZBOCLSA-N 0 0 296.327 1.255 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000180575083 365017328 /nfs/dbraw/zinc/01/73/28/365017328.db2.gz FPFOZAFAOIMHNQ-SKDRFNHKSA-N 0 0 290.323 1.977 20 5 CDBDRN COC(=O)CN1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301552224 283832374 /nfs/dbraw/zinc/83/23/74/283832374.db2.gz VRYXCZWKIYPSEQ-UHFFFAOYSA-N 0 0 293.323 1.198 20 5 CDBDRN O=C(NCCCOCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000181406246 365028462 /nfs/dbraw/zinc/02/84/62/365028462.db2.gz GTTPEORRXDJSPG-UHFFFAOYSA-N 0 0 283.284 1.115 20 5 CDBDRN O=C(NCCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000182282155 365078694 /nfs/dbraw/zinc/07/86/94/365078694.db2.gz ZZKPMTLAILNJJM-UHFFFAOYSA-N 0 0 266.297 1.877 20 5 CDBDRN O=C(NCCNc1c2c(ccc1[N+](=O)[O-])NCC2)C1CC1 ZINC000275334655 193001876 /nfs/dbraw/zinc/00/18/76/193001876.db2.gz GLXMOUHVZSVVCJ-UHFFFAOYSA-N 0 0 290.323 1.501 20 5 CDBDRN C[C@@]1(CO)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000546105168 365212274 /nfs/dbraw/zinc/21/22/74/365212274.db2.gz WHZBAGGDMLWWCU-AWEZNQCLSA-N 0 0 293.323 1.380 20 5 CDBDRN CC(C)N(CCOCCO)c1ncc([N+](=O)[O-])cc1F ZINC000413293753 240613852 /nfs/dbraw/zinc/61/38/52/240613852.db2.gz OHFSONASTGJSMY-UHFFFAOYSA-N 0 0 287.291 1.353 20 5 CDBDRN Cc1c(C(=O)N[C@@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000275530855 193069258 /nfs/dbraw/zinc/06/92/58/193069258.db2.gz KEMNGNSAROXSTJ-VIFPVBQESA-N 0 0 289.295 1.523 20 5 CDBDRN COc1cc(NC[C@@]2(C)CCC(=O)N2)ccc1[N+](=O)[O-] ZINC000413346565 240640372 /nfs/dbraw/zinc/64/03/72/240640372.db2.gz WMIHBBRMYMIWPG-CYBMUJFWSA-N 0 0 279.296 1.684 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](O)C1CC1 ZINC000275621424 193088685 /nfs/dbraw/zinc/08/86/85/193088685.db2.gz KDPMOYDSIGARGG-LBPRGKRZSA-N 0 0 279.296 1.796 20 5 CDBDRN CS(=O)(=O)CC1(CNc2ncccc2[N+](=O)[O-])CCC1 ZINC000413592007 240783276 /nfs/dbraw/zinc/78/32/76/240783276.db2.gz SXCIPFSCTKPZIS-UHFFFAOYSA-N 0 0 299.352 1.617 20 5 CDBDRN Cc1c(C(=O)N2CC(C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000275719152 193112465 /nfs/dbraw/zinc/11/24/65/193112465.db2.gz WZGRWPUMTHOQQW-UHFFFAOYSA-N 0 0 278.308 1.746 20 5 CDBDRN CNc1nc(C(=O)NCC2(C)CCC2)ccc1[N+](=O)[O-] ZINC000455860360 252405917 /nfs/dbraw/zinc/40/59/17/252405917.db2.gz AVXSXKXERDLCQK-UHFFFAOYSA-N 0 0 278.312 1.952 20 5 CDBDRN COC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)OC ZINC000275757896 193121607 /nfs/dbraw/zinc/12/16/07/193121607.db2.gz LYOJXEHFUWSPFE-LLVKDONJSA-N 0 0 297.311 1.686 20 5 CDBDRN CCCC1(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 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/nfs/dbraw/zinc/52/96/21/390529621.db2.gz JZXGGSQPICHADB-UWVGGRQHSA-N 0 0 295.343 1.607 20 5 CDBDRN CC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H](O)CC ZINC000450852859 390563837 /nfs/dbraw/zinc/56/38/37/390563837.db2.gz ALOWHMGJCARPKS-BDAKNGLRSA-N 0 0 279.300 1.021 20 5 CDBDRN CC(C)(O)C(C)(C)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450900075 390575413 /nfs/dbraw/zinc/57/54/13/390575413.db2.gz XOUMWMZLKCMBND-UHFFFAOYSA-N 0 0 295.339 1.903 20 5 CDBDRN COC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000396009216 390669802 /nfs/dbraw/zinc/66/98/02/390669802.db2.gz HZOWQYQFKGAHDG-VIFPVBQESA-N 0 0 294.311 1.213 20 5 CDBDRN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1ccco1 ZINC000188701601 390673300 /nfs/dbraw/zinc/67/33/00/390673300.db2.gz VTZMMCDBFUIJGJ-UHFFFAOYSA-N 0 0 294.288 1.939 20 5 CDBDRN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000220151019 390807157 /nfs/dbraw/zinc/80/71/57/390807157.db2.gz BNTVDZDGOILGAT-RKDXNWHRSA-N 0 0 279.296 1.474 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](O)C2)n1 ZINC000221198067 390811137 /nfs/dbraw/zinc/81/11/37/390811137.db2.gz DXWRVBXVAZXBLI-KWQFWETISA-N 0 0 251.286 1.505 20 5 CDBDRN CSc1cccc(C(=O)N[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000188242547 390952392 /nfs/dbraw/zinc/95/23/92/390952392.db2.gz REHUOFSKPRATDE-UWVGGRQHSA-N 0 0 296.348 1.960 20 5 CDBDRN CN(C(=O)CCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000410618011 390964319 /nfs/dbraw/zinc/96/43/19/390964319.db2.gz ZCEIJFXBLDAKIK-UHFFFAOYSA-N 0 0 288.307 1.924 20 5 CDBDRN CCOC(=O)C(CC)(CC)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000516746626 390966523 /nfs/dbraw/zinc/96/65/23/390966523.db2.gz NFTFBSQSAZXXTC-UHFFFAOYSA-N 0 0 298.299 1.170 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccco1)CC2 ZINC000188580775 390968313 /nfs/dbraw/zinc/96/83/13/390968313.db2.gz CJQLQKNPKAXGKI-UHFFFAOYSA-N 0 0 294.288 1.939 20 5 CDBDRN CN(C(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc([N+](=O)[O-])nc1 ZINC000574076223 390988728 /nfs/dbraw/zinc/98/87/28/390988728.db2.gz XRBALDXNGWFFEZ-GHMZBOCLSA-N 0 0 261.281 1.999 20 5 CDBDRN Nc1c(C(=O)N2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000128599002 390993327 /nfs/dbraw/zinc/99/33/27/390993327.db2.gz YPXGUKQZQLFDAG-UHFFFAOYSA-N 0 0 291.307 1.572 20 5 CDBDRN Cc1cccc(N2CC[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000396825174 390995351 /nfs/dbraw/zinc/99/53/51/390995351.db2.gz BCMQYUDSVFVVAP-JQWIXIFHSA-N 0 0 266.297 1.083 20 5 CDBDRN C[C@H]1CSC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000342404431 391033754 /nfs/dbraw/zinc/03/37/54/391033754.db2.gz FVKFBRFZFDWIOA-IONNQARKSA-N 0 0 281.337 1.658 20 5 CDBDRN CC(C)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332707874 391051603 /nfs/dbraw/zinc/05/16/03/391051603.db2.gz KOPCJJSEGBXFPK-UHFFFAOYSA-N 0 0 278.308 1.905 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC ZINC000048637642 391052877 /nfs/dbraw/zinc/05/28/77/391052877.db2.gz CSQDTSSFZNZZEF-SSDOTTSWSA-N 0 0 254.242 1.577 20 5 CDBDRN CC[C@H]1CO[C@@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000267113704 391108012 /nfs/dbraw/zinc/10/80/12/391108012.db2.gz YGZIFSPWSXPISH-QWRGUYRKSA-N 0 0 268.317 1.291 20 5 CDBDRN CC[C@H](C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296897739 391075760 /nfs/dbraw/zinc/07/57/60/391075760.db2.gz IYNQJKOXAJBZFB-NSHDSACASA-N 0 0 292.339 1.685 20 5 CDBDRN Cn1cccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1=O ZINC000074020566 391159158 /nfs/dbraw/zinc/15/91/58/391159158.db2.gz NNRYYXOMNXDQHJ-CMDGGOBGSA-N 0 0 299.286 1.945 20 5 CDBDRN COc1cccc(C(=O)NC[C@@H](C)OC)c1[N+](=O)[O-] ZINC000192933319 533408391 /nfs/dbraw/zinc/40/83/91/533408391.db2.gz JRYRZPAUXWQCMV-MRVPVSSYSA-N 0 0 268.269 1.368 20 5 CDBDRN COc1cccc(C(=O)N[C@H](C)CCO)c1[N+](=O)[O-] ZINC000192772420 533416923 /nfs/dbraw/zinc/41/69/23/533416923.db2.gz WRUVYLDRZBMYIG-MRVPVSSYSA-N 0 0 268.269 1.104 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000267127217 391167942 /nfs/dbraw/zinc/16/79/42/391167942.db2.gz VFBFTJIXJMJMSJ-DTWKUNHWSA-N 0 0 279.252 1.852 20 5 CDBDRN CCOC(=O)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1F ZINC000413176104 391173432 /nfs/dbraw/zinc/17/34/32/391173432.db2.gz KLDNSQZMQFACCR-ZETCQYMHSA-N 0 0 271.248 1.740 20 5 CDBDRN CC(C)N1C(=O)C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1=O ZINC000413177384 391173661 /nfs/dbraw/zinc/17/36/61/391173661.db2.gz UIXUIZDECKYRIZ-SECBINFHSA-N 0 0 296.258 1.077 20 5 CDBDRN CCOCCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413194451 391176300 /nfs/dbraw/zinc/17/63/00/391176300.db2.gz BLVKKBZGHOGZGL-NSHDSACASA-N 0 0 299.302 1.761 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000438892550 391177380 /nfs/dbraw/zinc/17/73/80/391177380.db2.gz YEETVAWQUNGGHR-YIZRAAEISA-N 0 0 252.274 1.308 20 5 CDBDRN CCC[C@@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000413496295 391221986 /nfs/dbraw/zinc/22/19/86/391221986.db2.gz RCYRUQWGZZSMCU-GXTWGEPZSA-N 0 0 296.323 1.731 20 5 CDBDRN COC(C)(C)c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000517648282 391230795 /nfs/dbraw/zinc/23/07/95/391230795.db2.gz BCDCKHKMAKCOHE-UHFFFAOYSA-N 0 0 266.257 1.865 20 5 CDBDRN CNC(=O)[C@@H](C)CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267136627 391232662 /nfs/dbraw/zinc/23/26/62/391232662.db2.gz WVPBEXIGAXWDBN-VIFPVBQESA-N 0 0 293.323 1.616 20 5 CDBDRN CCN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC000413310356 391196710 /nfs/dbraw/zinc/19/67/10/391196710.db2.gz CNXHRKMNJBVDCW-ZETCQYMHSA-N 0 0 268.248 1.162 20 5 CDBDRN C[C@H](CCO)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413324482 391199568 /nfs/dbraw/zinc/19/95/68/391199568.db2.gz JNTHBJGGCHXJCJ-QMMMGPOBSA-N 0 0 257.265 1.949 20 5 CDBDRN C[C@@]1(CNc2nc3sccn3c2[N+](=O)[O-])CCC(=O)N1 ZINC000413340167 391201387 /nfs/dbraw/zinc/20/13/87/391201387.db2.gz LLVSIXRBHYMBNJ-NSHDSACASA-N 0 0 295.324 1.385 20 5 CDBDRN CC(C)C[C@@H]1C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000413409285 391211679 /nfs/dbraw/zinc/21/16/79/391211679.db2.gz IWPOUMHRGAGXBW-PSASIEDQSA-N 0 0 278.312 1.935 20 5 CDBDRN CCOc1cc(NCC(=O)N(C)CC)ccc1[N+](=O)[O-] ZINC000186371801 391263187 /nfs/dbraw/zinc/26/31/87/391263187.db2.gz AXOVRYNXJOFKHM-UHFFFAOYSA-N 0 0 281.312 1.884 20 5 CDBDRN CCn1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000413880159 391273515 /nfs/dbraw/zinc/27/35/15/391273515.db2.gz LGCSVJYIVXGWKB-UHFFFAOYSA-N 0 0 263.257 1.069 20 5 CDBDRN CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000440566333 391405556 /nfs/dbraw/zinc/40/55/56/391405556.db2.gz DLPHGGZFPZVIBU-UFBFGSQYSA-N 0 0 269.301 1.450 20 5 CDBDRN C[C@@H]1C[C@H](O)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000412772336 391340275 /nfs/dbraw/zinc/34/02/75/391340275.db2.gz OHEIYIBALNMUFV-RISCZKNCSA-N 0 0 292.335 1.757 20 5 CDBDRN C[C@@H]1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CO1 ZINC000438976784 391360901 /nfs/dbraw/zinc/36/09/01/391360901.db2.gz UDTURDZSYMDJDT-MNOVXSKESA-N 0 0 293.323 1.548 20 5 CDBDRN Cc1noc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000438990826 391370277 /nfs/dbraw/zinc/37/02/77/391370277.db2.gz KTGDPJYMRDCXKK-UHFFFAOYSA-N 0 0 290.279 1.454 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2c[nH]nc2C)n1 ZINC000439166977 391474443 /nfs/dbraw/zinc/47/44/43/391474443.db2.gz KSOJYKKVCBAAGY-UHFFFAOYSA-N 0 0 277.240 1.552 20 5 CDBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000416120551 391535917 /nfs/dbraw/zinc/53/59/17/391535917.db2.gz ULYPDTDNEOQHDX-HRDYMLBCSA-N 0 0 266.301 1.445 20 5 CDBDRN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000248389587 391492999 /nfs/dbraw/zinc/49/29/99/391492999.db2.gz SMQJMTRJJBQPRM-KXUCPTDWSA-N 0 0 278.312 1.969 20 5 CDBDRN CCO[C@@H]1C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266035784 391666038 /nfs/dbraw/zinc/66/60/38/391666038.db2.gz JQUGIFCLZKGZPO-DGCLKSJQSA-N 0 0 278.308 1.679 20 5 CDBDRN CCc1n[nH]c(C(=O)NC[C@@](C)(O)[C@H](C)CC)c1[N+](=O)[O-] ZINC000439514621 391667517 /nfs/dbraw/zinc/66/75/17/391667517.db2.gz OSRVUTIKFPGBOC-AMIZOPFISA-N 0 0 298.343 1.407 20 5 CDBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnccn1 ZINC000192553284 391672060 /nfs/dbraw/zinc/67/20/60/391672060.db2.gz BAWNAJZLAJENFT-UHFFFAOYSA-N 0 0 287.279 1.826 20 5 CDBDRN CCO[C@@H]1C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000574025051 391694086 /nfs/dbraw/zinc/69/40/86/391694086.db2.gz QPGYFEIGMFWSRF-RNFRBKRXSA-N 0 0 268.298 1.893 20 5 CDBDRN Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000189523517 129986302 /nfs/dbraw/zinc/98/63/02/129986302.db2.gz MZFOXLUOTCAQKP-MFKMUULPSA-N 0 0 278.308 1.746 20 5 CDBDRN CCOC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000189691587 130009254 /nfs/dbraw/zinc/00/92/54/130009254.db2.gz PUHBSNSSVCFPPZ-UHFFFAOYSA-N 0 0 256.258 1.733 20 5 CDBDRN COC(=O)[C@H](C)N(CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000190086318 130058630 /nfs/dbraw/zinc/05/86/30/130058630.db2.gz YRKHENILNWSXFJ-JTQLQIEISA-N 0 0 296.327 1.207 20 5 CDBDRN O=[N+]([O-])c1cnn(CCSCCOCC(F)F)c1 ZINC000190096640 130059686 /nfs/dbraw/zinc/05/96/86/130059686.db2.gz BZLBFZOMOQTGCF-UHFFFAOYSA-N 0 0 281.284 1.806 20 5 CDBDRN Cc1nc2ccc(NCCc3ccc([N+](=O)[O-])cc3)nn2n1 ZINC000341828603 130061962 /nfs/dbraw/zinc/06/19/62/130061962.db2.gz YJVXSFIJZWCISU-UHFFFAOYSA-N 0 0 298.306 1.417 20 5 CDBDRN Cc1nn(CC(C)(C)CS(C)(=O)=O)c(C)c1[N+](=O)[O-] ZINC000442394221 391753894 /nfs/dbraw/zinc/75/38/94/391753894.db2.gz ODNJCWPIECHTHJ-UHFFFAOYSA-N 0 0 289.357 1.479 20 5 CDBDRN Cc1c(CC(=O)N[C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000190457687 130105974 /nfs/dbraw/zinc/10/59/74/130105974.db2.gz WXTWYRGLGGCHOL-STQMWFEESA-N 0 0 292.335 1.721 20 5 CDBDRN O=C(NC[C@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000191195618 130199797 /nfs/dbraw/zinc/19/97/97/130199797.db2.gz GHRMELIOJOPQRY-WPRPVWTQSA-N 0 0 282.271 1.625 20 5 CDBDRN CO[C@@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191214171 130203090 /nfs/dbraw/zinc/20/30/90/130203090.db2.gz MQMRCVRNUGYSNN-VIFPVBQESA-N 0 0 288.325 1.216 20 5 CDBDRN CO[C@H](C)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000191216361 130203429 /nfs/dbraw/zinc/20/34/29/130203429.db2.gz JIAWVNYTZXYFPM-SECBINFHSA-N 0 0 288.325 1.216 20 5 CDBDRN Cc1nn(CCCC(=O)N(C)C)c(C)c1[N+](=O)[O-] ZINC000191416142 130234576 /nfs/dbraw/zinc/23/45/76/130234576.db2.gz SQFOSARBUXMGCV-UHFFFAOYSA-N 0 0 254.290 1.277 20 5 CDBDRN CCOC[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C(C)C ZINC000191431088 130234944 /nfs/dbraw/zinc/23/49/44/130234944.db2.gz MHIUVVZQGCMEPS-NSHDSACASA-N 0 0 295.339 1.968 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CCn2ncnc2C1 ZINC000342029406 130246700 /nfs/dbraw/zinc/24/67/00/130246700.db2.gz WSCPILUAALBNOW-UHFFFAOYSA-N 0 0 259.269 1.515 20 5 CDBDRN CC(C)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000342165862 130355945 /nfs/dbraw/zinc/35/59/45/130355945.db2.gz MYVTWESNJBWHSY-LLVKDONJSA-N 0 0 296.327 1.065 20 5 CDBDRN CCCN(CCC)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000134072830 391938291 /nfs/dbraw/zinc/93/82/91/391938291.db2.gz ZLNDIONUYHCITL-UHFFFAOYSA-N 0 0 254.290 1.440 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCOC1 ZINC000495154462 391905648 /nfs/dbraw/zinc/90/56/48/391905648.db2.gz CEWHZIDPAURLNU-QMMMGPOBSA-N 0 0 266.253 1.122 20 5 CDBDRN O=C(Nc1ccccc1N1CCOC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496619606 391925655 /nfs/dbraw/zinc/92/56/55/391925655.db2.gz ACCAAWRVSGCLEK-LDYMZIIASA-N 0 0 291.263 1.247 20 5 CDBDRN COC(=O)N1CC(Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000496908713 391930223 /nfs/dbraw/zinc/93/02/23/391930223.db2.gz GCCYQIJTULLXKR-UHFFFAOYSA-N 0 0 283.259 1.905 20 5 CDBDRN CO[C@@H](C)CS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000192869417 130555994 /nfs/dbraw/zinc/55/59/94/130555994.db2.gz WMPXLHIIDIUVRT-QMMMGPOBSA-N 0 0 275.282 1.338 20 5 CDBDRN C[C@@H](O)[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000286108950 392234173 /nfs/dbraw/zinc/23/41/73/392234173.db2.gz DLISFTJXGWSQES-BDAKNGLRSA-N 0 0 254.261 1.941 20 5 CDBDRN C[C@@H](O)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000227996834 130859334 /nfs/dbraw/zinc/85/93/34/130859334.db2.gz OWIPKSXBNWGRLX-SSDOTTSWSA-N 0 0 270.314 1.877 20 5 CDBDRN Cc1nc(NC[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000230182578 130894667 /nfs/dbraw/zinc/89/46/67/130894667.db2.gz 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1.177 20 5 CDBDRN CCOc1cc(N2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000360243373 356918817 /nfs/dbraw/zinc/91/88/17/356918817.db2.gz VTDJRXFARLJSSK-AWEZNQCLSA-N 0 0 293.323 1.695 20 5 CDBDRN Cc1nc(N(CCO)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360259712 356926722 /nfs/dbraw/zinc/92/67/22/356926722.db2.gz YTSOAEXNXKIZCG-PWSUYJOCSA-N 0 0 281.312 1.274 20 5 CDBDRN Cc1c(CN2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000048610006 356980035 /nfs/dbraw/zinc/98/00/35/356980035.db2.gz GTWWQAYFSIGHJQ-UHFFFAOYSA-N 0 0 270.310 1.439 20 5 CDBDRN Cc1nn(CCC(=O)N[C@@H]2CC[C@@H](F)C2)c(C)c1[N+](=O)[O-] ZINC000360355923 357079849 /nfs/dbraw/zinc/07/98/49/357079849.db2.gz SJXZSZLMKUCVOR-GHMZBOCLSA-N 0 0 298.318 1.805 20 5 CDBDRN Cc1noc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000341370648 357239846 /nfs/dbraw/zinc/23/98/46/357239846.db2.gz KCYYQUCNMNGGCM-LURJTMIESA-N 0 0 294.242 1.916 20 5 CDBDRN NC(=O)Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000048836654 357197900 /nfs/dbraw/zinc/19/79/00/357197900.db2.gz IHVRSHXWCYHOIA-UHFFFAOYSA-N 0 0 279.231 1.159 20 5 CDBDRN CC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000290546045 357220334 /nfs/dbraw/zinc/22/03/34/357220334.db2.gz FOWKEGPLRVBAJO-JTQLQIEISA-N 0 0 279.296 1.318 20 5 CDBDRN COC(=O)c1ncn(CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000083442232 357222258 /nfs/dbraw/zinc/22/22/58/357222258.db2.gz KNAQNRJBRHWZMT-UHFFFAOYSA-N 0 0 276.252 1.216 20 5 CDBDRN CN(Cc1ncc[nH]1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000070980541 357178215 /nfs/dbraw/zinc/17/82/15/357178215.db2.gz VURCCHQIMNJWMB-QPJJXVBHSA-N 0 0 286.291 1.990 20 5 CDBDRN CCC[N@H+](CC)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119115123 357283980 /nfs/dbraw/zinc/28/39/80/357283980.db2.gz SFWVPPJWCVIBGD-UHFFFAOYSA-N 0 0 295.339 1.762 20 5 CDBDRN Cc1nn(C)c(C(=O)N(C)[C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000175647334 188960592 /nfs/dbraw/zinc/96/05/92/188960592.db2.gz AKRYYCPWSBGXRW-SECBINFHSA-N 0 0 280.328 1.897 20 5 CDBDRN O=c1c2cc[nH]c2ncn1CCc1ccc([N+](=O)[O-])cc1 ZINC000341400667 357255303 /nfs/dbraw/zinc/25/53/03/357255303.db2.gz QUSMAHHUBCBQHR-UHFFFAOYSA-N 0 0 284.275 1.876 20 5 CDBDRN CC(C)NC(=O)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341423123 357266537 /nfs/dbraw/zinc/26/65/37/357266537.db2.gz ZYKYTUKKWBLILB-UHFFFAOYSA-N 0 0 294.311 1.020 20 5 CDBDRN COc1cccc(N2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000135062897 357314717 /nfs/dbraw/zinc/31/47/17/357314717.db2.gz DGNFOUYRSGDWNV-VIFPVBQESA-N 0 0 252.270 1.422 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(O)CCO[C@@H]1C ZINC000234209519 357323962 /nfs/dbraw/zinc/32/39/62/357323962.db2.gz WGBRZSRPIYMRKR-SKDRFNHKSA-N 0 0 284.316 1.071 20 5 CDBDRN COC(=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083795550 357336554 /nfs/dbraw/zinc/33/65/54/357336554.db2.gz LPYQJTMTLZLJFG-UHFFFAOYSA-N 0 0 286.671 1.541 20 5 CDBDRN Cc1c(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cccc1[N+](=O)[O-] ZINC000360512408 357340249 /nfs/dbraw/zinc/34/02/49/357340249.db2.gz BXPCCMMBDSCNJZ-MRVWCRGKSA-N 0 0 290.319 1.944 20 5 CDBDRN CSC[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000120214489 357347336 /nfs/dbraw/zinc/34/73/36/357347336.db2.gz DFWIQMQEJWWRAS-SSDOTTSWSA-N 0 0 269.326 1.658 20 5 CDBDRN Cc1cccc(C(=O)N[C@@H](C)C[S@@](C)=O)c1[N+](=O)[O-] ZINC000181614878 357367954 /nfs/dbraw/zinc/36/79/54/357367954.db2.gz SARCGRHZVRQKAY-ZRNGKTOUSA-N 0 0 284.337 1.400 20 5 CDBDRN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181820439 357382752 /nfs/dbraw/zinc/38/27/52/357382752.db2.gz UYUUDIXPNWLYPF-LLVKDONJSA-N 0 0 293.323 1.515 20 5 CDBDRN O=Cc1ccc(OCC(=O)NC2CCC2)c([N+](=O)[O-])c1 ZINC000264547862 357380128 /nfs/dbraw/zinc/38/01/28/357380128.db2.gz SPWTXWUZBHWPEL-UHFFFAOYSA-N 0 0 278.264 1.455 20 5 CDBDRN CCOC(=O)c1cc(N(C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000282867237 357477627 /nfs/dbraw/zinc/47/76/27/357477627.db2.gz PSTDLOVBUKLIMQ-VIFPVBQESA-N 0 0 282.296 1.589 20 5 CDBDRN CN(CCCCCO)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282888332 357482823 /nfs/dbraw/zinc/48/28/23/357482823.db2.gz VXOZCHCWCFYXCE-UHFFFAOYSA-N 0 0 299.302 1.551 20 5 CDBDRN CC/C=C/CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000185776850 357575584 /nfs/dbraw/zinc/57/55/84/357575584.db2.gz KTNMLUBEIKBXIA-ONEGZZNKSA-N 0 0 265.269 1.212 20 5 CDBDRN CNC(=O)[C@@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185399734 357539069 /nfs/dbraw/zinc/53/90/69/357539069.db2.gz BLRHMLKORZZEJG-SNVBAGLBSA-N 0 0 293.323 1.566 20 5 CDBDRN COCC1=CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000185399185 357539074 /nfs/dbraw/zinc/53/90/74/357539074.db2.gz CCEUUCVDVFLIOF-UHFFFAOYSA-N 0 0 291.307 1.596 20 5 CDBDRN CC(C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000341477841 357550826 /nfs/dbraw/zinc/55/08/26/357550826.db2.gz KVMRBEQJIGIMKX-UHFFFAOYSA-N 0 0 280.324 1.760 20 5 CDBDRN CCOC1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000294085560 198901920 /nfs/dbraw/zinc/90/19/20/198901920.db2.gz NXYKXQRHWBXOKX-UHFFFAOYSA-N 0 0 294.307 1.915 20 5 CDBDRN CCOCC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000186232745 357627432 /nfs/dbraw/zinc/62/74/32/357627432.db2.gz DHSYKVLVWVMRMF-UHFFFAOYSA-N 0 0 253.254 1.888 20 5 CDBDRN COCCC(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000185849940 357583331 /nfs/dbraw/zinc/58/33/31/357583331.db2.gz YPYWHCNNGAOHBN-UHFFFAOYSA-N 0 0 298.343 1.360 20 5 CDBDRN CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC000286616829 357590727 /nfs/dbraw/zinc/59/07/27/357590727.db2.gz YKHYJMJVYRNPIQ-VIFPVBQESA-N 0 0 270.289 1.109 20 5 CDBDRN CC(C)[C@H]1N(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1(C)C ZINC000294137022 198922317 /nfs/dbraw/zinc/92/23/17/198922317.db2.gz ZYBBPQNAMHKSDO-SNVBAGLBSA-N 0 0 266.301 1.825 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000187396357 357760666 /nfs/dbraw/zinc/76/06/66/357760666.db2.gz JEGRHHKPUBXSSZ-ONGXEEELSA-N 0 0 279.296 1.210 20 5 CDBDRN NC(=O)CC1CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000360052114 283284486 /nfs/dbraw/zinc/28/44/86/283284486.db2.gz GPTSGAGWUABOMQ-UHFFFAOYSA-N 0 0 253.233 1.046 20 5 CDBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)CN1C ZINC000408073556 357811862 /nfs/dbraw/zinc/81/18/62/357811862.db2.gz UKCXNKOFOKBAQL-UWVGGRQHSA-N 0 0 292.339 1.342 20 5 CDBDRN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000187618159 357786017 /nfs/dbraw/zinc/78/60/17/357786017.db2.gz KAUCMUDWILSWOV-CQSZACIVSA-N 0 0 292.291 1.763 20 5 CDBDRN CC[C@H](C)CN(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188463166 357900367 /nfs/dbraw/zinc/90/03/67/357900367.db2.gz CBJJGDDNZLFIKH-QMMMGPOBSA-N 0 0 267.285 1.814 20 5 CDBDRN CCN(C)C(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188837857 357943110 /nfs/dbraw/zinc/94/31/10/357943110.db2.gz MYOUHIUDGXMGJQ-UHFFFAOYSA-N 0 0 294.311 1.503 20 5 CDBDRN COC(CN1CCc2c1cccc2[N+](=O)[O-])OC ZINC000189133697 357975213 /nfs/dbraw/zinc/97/52/13/357975213.db2.gz MBUHVRFQFQFTKG-UHFFFAOYSA-N 0 0 252.270 1.576 20 5 CDBDRN CC(C)(C(=O)N[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000337483753 358046654 /nfs/dbraw/zinc/04/66/54/358046654.db2.gz XWZLZRMQMZURBL-NSHDSACASA-N 0 0 278.308 1.778 20 5 CDBDRN COC(=O)c1cnc(N2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000190171927 358057868 /nfs/dbraw/zinc/05/78/68/358057868.db2.gz XIHFWDUAAJIOCH-VIFPVBQESA-N 0 0 295.295 1.392 20 5 CDBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2CCC2)cc1 ZINC000337727037 358128018 /nfs/dbraw/zinc/12/80/18/358128018.db2.gz BZUUNWQVCMHQMH-UHFFFAOYSA-N 0 0 298.364 1.857 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(O)CCCC2)n1 ZINC000234577339 358148593 /nfs/dbraw/zinc/14/85/93/358148593.db2.gz KBIXKHJFLLVAML-UHFFFAOYSA-N 0 0 295.295 1.493 20 5 CDBDRN CC(C)NS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408143606 358174745 /nfs/dbraw/zinc/17/47/45/358174745.db2.gz WVYKQKODQYFHGX-UHFFFAOYSA-N 0 0 299.352 1.196 20 5 CDBDRN C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1O ZINC000408144122 358181805 /nfs/dbraw/zinc/18/18/05/358181805.db2.gz ZHSXBEQBHIXKAR-QPUJVOFHSA-N 0 0 297.286 1.969 20 5 CDBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1CF ZINC000294724267 199152525 /nfs/dbraw/zinc/15/25/25/199152525.db2.gz VTEGNUMTJSYXRD-SECBINFHSA-N 0 0 288.300 1.717 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000192478931 358207179 /nfs/dbraw/zinc/20/71/79/358207179.db2.gz XKZDHZJMUXSMED-JTQLQIEISA-N 0 0 298.368 1.210 20 5 CDBDRN C[C@@H](CO[C@@H]1CCOC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192483059 358207388 /nfs/dbraw/zinc/20/73/88/358207388.db2.gz JDJZOZILKINDJG-JGVFFNPUSA-N 0 0 273.314 1.657 20 5 CDBDRN CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033316474 358224988 /nfs/dbraw/zinc/22/49/88/358224988.db2.gz CTYNEKWYUBCOJB-SREVYHEPSA-N 0 0 275.308 1.382 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCn1ccnc1 ZINC000192697819 358228202 /nfs/dbraw/zinc/22/82/02/358228202.db2.gz LAXIXSCJURQVFX-UHFFFAOYSA-N 0 0 292.343 1.843 20 5 CDBDRN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000193587008 358306450 /nfs/dbraw/zinc/30/64/50/358306450.db2.gz DFKGTMABCGSTCK-QPUJVOFHSA-N 0 0 297.742 1.862 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(OCCO)CC1 ZINC000135401595 358427875 /nfs/dbraw/zinc/42/78/75/358427875.db2.gz HPUCRGBZCNLVLL-UHFFFAOYSA-N 0 0 294.307 1.208 20 5 CDBDRN CCN(Cc1cnn(C)c1)c1ncc([N+](=O)[O-])s1 ZINC000195511372 358433712 /nfs/dbraw/zinc/43/37/12/358433712.db2.gz PUPGRHHYAHTMNM-UHFFFAOYSA-N 0 0 267.314 1.811 20 5 CDBDRN C[C@@H](CO)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271798486 295975246 /nfs/dbraw/zinc/97/52/46/295975246.db2.gz LYPXBTQYCAOKKC-ZJUUUORDSA-N 0 0 281.312 1.583 20 5 CDBDRN CCN(CCO)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000137576982 358631046 /nfs/dbraw/zinc/63/10/46/358631046.db2.gz PFZXYCUOCDBRHB-UHFFFAOYSA-N 0 0 268.269 1.058 20 5 CDBDRN CC(C)[C@@]1(C(=O)[O-])CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000566921514 358585703 /nfs/dbraw/zinc/58/57/03/358585703.db2.gz ZPFNIIUWQLVSDW-CYBMUJFWSA-N 0 0 296.327 1.224 20 5 CDBDRN COC(=O)CN(CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000098142910 358664540 /nfs/dbraw/zinc/66/45/40/358664540.db2.gz KGOLEEOXZZADIH-UHFFFAOYSA-N 0 0 296.323 1.857 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000341576513 358666330 /nfs/dbraw/zinc/66/63/30/358666330.db2.gz BCCPVIYLXBOYPD-SFYZADRCSA-N 0 0 284.316 1.160 20 5 CDBDRN NC(=O)c1ccnc(N[C@@H]2CCCSC2)c1[N+](=O)[O-] ZINC000290837330 358667610 /nfs/dbraw/zinc/66/76/10/358667610.db2.gz VKSQRSJHUGBSLV-SSDOTTSWSA-N 0 0 282.325 1.396 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCSCC1 ZINC000264927175 358771758 /nfs/dbraw/zinc/77/17/58/358771758.db2.gz ODZWCCWUIHOBOH-UHFFFAOYSA-N 0 0 284.341 1.051 20 5 CDBDRN CC(C)OCCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000341648980 358767532 /nfs/dbraw/zinc/76/75/32/358767532.db2.gz VFHYNOMKXQPHQK-UHFFFAOYSA-N 0 0 284.316 1.263 20 5 CDBDRN C[C@@H]1c2cccn2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176197629 358736927 /nfs/dbraw/zinc/73/69/27/358736927.db2.gz HFPFQJLUUCOASU-LLVKDONJSA-N 0 0 275.312 1.670 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000361878235 358810750 /nfs/dbraw/zinc/81/07/50/358810750.db2.gz ZASSLBAUXBCHSB-ZCFIWIBFSA-N 0 0 274.227 1.702 20 5 CDBDRN COC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000264934211 358781470 /nfs/dbraw/zinc/78/14/70/358781470.db2.gz QSAURFLLDKNWNT-SECBINFHSA-N 0 0 292.295 1.994 20 5 CDBDRN COC(=O)N(C)Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291107328 358872355 /nfs/dbraw/zinc/87/23/55/358872355.db2.gz SFXYOAFPLNMQTO-UHFFFAOYSA-N 0 0 286.288 1.256 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C3OCCO3)C2)n1 ZINC000178207088 366474008 /nfs/dbraw/zinc/47/40/08/366474008.db2.gz YAMCQVNTAZDCDM-LLVKDONJSA-N 0 0 293.323 1.888 20 5 CDBDRN CCC(CC)CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000104551632 358959345 /nfs/dbraw/zinc/95/93/45/358959345.db2.gz BUAHLCWEOJHWPS-UHFFFAOYSA-N 0 0 268.317 1.803 20 5 CDBDRN O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135502291 359023593 /nfs/dbraw/zinc/02/35/93/359023593.db2.gz INTZHEJSYJDPBL-ZYHUDNBSSA-N 0 0 282.271 1.767 20 5 CDBDRN CCCN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000352949288 359028109 /nfs/dbraw/zinc/02/81/09/359028109.db2.gz VYLLHDFUXBICRX-SNVBAGLBSA-N 0 0 291.307 1.792 20 5 CDBDRN CC(=O)[C@@](C)(O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451049791 359029316 /nfs/dbraw/zinc/02/93/16/359029316.db2.gz OEDAAVKHVRMQNP-AWEZNQCLSA-N 0 0 294.307 1.129 20 5 CDBDRN C[C@@H](CCO)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342404466 359040782 /nfs/dbraw/zinc/04/07/82/359040782.db2.gz HLLQOVXMNPEZIB-QMMMGPOBSA-N 0 0 267.285 1.124 20 5 CDBDRN Cc1nc(NC[C@H]2CCOC3(CCC3)C2)ncc1[N+](=O)[O-] ZINC000450718223 358990940 /nfs/dbraw/zinc/99/09/40/358990940.db2.gz NFKHQGRSRGMOLZ-NSHDSACASA-N 0 0 292.339 1.876 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](OC)[C@@H](C)C1 ZINC000450765425 358999997 /nfs/dbraw/zinc/99/99/97/358999997.db2.gz RVWFLQFARKSXET-GXSJLCMTSA-N 0 0 282.344 1.981 20 5 CDBDRN CCn1ccnc1[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000450832954 359013098 /nfs/dbraw/zinc/01/30/98/359013098.db2.gz SDHFHDSQZGZQKW-SSDOTTSWSA-N 0 0 277.288 1.187 20 5 CDBDRN Cc1nn(C)c(N2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000381127141 359015168 /nfs/dbraw/zinc/01/51/68/359015168.db2.gz NAUKYJOCUAJWOQ-JTQLQIEISA-N 0 0 268.317 1.236 20 5 CDBDRN C[C@H]1CSC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000342353260 359015422 /nfs/dbraw/zinc/01/54/22/359015422.db2.gz RGCNXUOYTSJNED-IMTBSYHQSA-N 0 0 299.327 1.797 20 5 CDBDRN CC(C)[C@@H](O)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342348945 359015646 /nfs/dbraw/zinc/01/56/46/359015646.db2.gz MEXIUEDTNICJBL-NSHDSACASA-N 0 0 281.312 1.513 20 5 CDBDRN Cn1nccc1-c1nc2cc([N+](=O)[O-])ccc2n1C ZINC000338239051 359101970 /nfs/dbraw/zinc/10/19/70/359101970.db2.gz UVMBPZAXDPKSBB-UHFFFAOYSA-N 0 0 257.253 1.882 20 5 CDBDRN Cc1ccc(NC[C@@H](O)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000338293999 359113941 /nfs/dbraw/zinc/11/39/41/359113941.db2.gz JOXLAQDVRGMKBT-GXFFZTMASA-N 0 0 266.297 1.713 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000342451105 359054818 /nfs/dbraw/zinc/05/48/18/359054818.db2.gz 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CNc1c(C(=O)Nc2ncnn2C)cccc1[N+](=O)[O-] ZINC000161513054 283687253 /nfs/dbraw/zinc/68/72/53/283687253.db2.gz VIYHUASSPRZLMW-UHFFFAOYSA-N 0 0 276.256 1.017 20 5 CDBDRN C[C@]1(CO)CCC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301862319 201237656 /nfs/dbraw/zinc/23/76/56/201237656.db2.gz FPHZQMNQQWDGEH-NOZJJQNGSA-N 0 0 291.311 1.601 20 5 CDBDRN CC(C)C[C@@H](CO)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301960296 201277138 /nfs/dbraw/zinc/27/71/38/201277138.db2.gz HLINZVLCGYXHCI-VIFPVBQESA-N 0 0 279.300 1.456 20 5 CDBDRN COC(=O)N1CC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301985446 201288980 /nfs/dbraw/zinc/28/89/80/201288980.db2.gz SXEXPWQTCYQPSZ-UHFFFAOYSA-N 0 0 299.258 1.605 20 5 CDBDRN Cc1ccnc(NCc2ccnc3ccnn32)c1[N+](=O)[O-] ZINC000302018254 201300182 /nfs/dbraw/zinc/30/01/82/201300182.db2.gz CSJVBPIBQKOUMA-UHFFFAOYSA-N 0 0 284.279 1.953 20 5 CDBDRN O=C1CCC(=O)N1CCCNc1sccc1[N+](=O)[O-] ZINC000302025643 201304680 /nfs/dbraw/zinc/30/46/80/201304680.db2.gz PYVLGHONARMOCN-UHFFFAOYSA-N 0 0 283.309 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931507650 /nfs/dbraw/zinc/50/76/50/931507650.db2.gz RTFPQPBOKOVFQU-UHFFFAOYSA-N 0 0 280.190 1.915 20 5 CDBDRN Cc1nc2ccc(N3Cc4ccc([N+](=O)[O-])cc4C3)nn2n1 ZINC001117296096 937507293 /nfs/dbraw/zinc/50/72/93/937507293.db2.gz NJCIILZFRXGWPN-UHFFFAOYSA-N 0 0 296.290 1.861 20 5 CDBDRN C[C@@H](COCC1CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844936624 931731492 /nfs/dbraw/zinc/73/14/92/931731492.db2.gz KWULERPZTAEUSX-JTQLQIEISA-N 0 0 272.345 1.753 20 5 CDBDRN Nc1ccc(NCC[C@@]2(O)CCCOC2)c([N+](=O)[O-])c1 ZINC000845751171 931895357 /nfs/dbraw/zinc/89/53/57/931895357.db2.gz PWPRFPXHBZZQCB-ZDUSSCGKSA-N 0 0 281.312 1.521 20 5 CDBDRN Cc1ccnc(N2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000845754517 931896333 /nfs/dbraw/zinc/89/63/33/931896333.db2.gz VFWNIGIIQSXZQG-OCAPTIKFSA-N 0 0 255.224 2.000 20 5 CDBDRN CCCNC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000005958507 931965745 /nfs/dbraw/zinc/96/57/45/931965745.db2.gz ABLXINPRICPTHL-UHFFFAOYSA-N 0 0 280.280 1.207 20 5 CDBDRN 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/nfs/dbraw/zinc/19/96/05/391199605.db2.gz XPWPUXDLFVVVNZ-CHWSQXEVSA-N 0 0 289.291 1.339 20 5 CDBDRN CSC[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000187897500 391209542 /nfs/dbraw/zinc/20/95/42/391209542.db2.gz VGZUYMQEWIKIJK-NSHDSACASA-N 0 0 294.336 1.577 20 5 CDBDRN NC(=O)[C@@H]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])O1 ZINC000268282436 391311153 /nfs/dbraw/zinc/31/11/53/391311153.db2.gz BMCYCTFMCMBVSO-KCJUWKMLSA-N 0 0 283.259 1.179 20 5 CDBDRN C[C@@H](CCO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121371496 391312403 /nfs/dbraw/zinc/31/24/03/391312403.db2.gz OOGUYOPCLCSIPJ-QMMMGPOBSA-N 0 0 286.715 1.678 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](O)CC1 ZINC000294063951 391323979 /nfs/dbraw/zinc/32/39/79/391323979.db2.gz MXWZXAZYKUSQPO-LLVKDONJSA-N 0 0 251.286 1.649 20 5 CDBDRN CO[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000342827371 391330563 /nfs/dbraw/zinc/33/05/63/391330563.db2.gz YUIBEEYYGVROQU-SECBINFHSA-N 0 0 290.279 1.469 20 5 CDBDRN CC(C)[C@H](O)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268562657 391341269 /nfs/dbraw/zinc/34/12/69/391341269.db2.gz BKINORVDJWOEGB-CYBMUJFWSA-N 0 0 295.339 1.164 20 5 CDBDRN CC[C@](C)(CO)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000211664480 391347249 /nfs/dbraw/zinc/34/72/49/391347249.db2.gz UIPHDFKYEVIMGR-DEBLGDTFSA-N 0 0 278.308 1.885 20 5 CDBDRN CNc1nccc(C(=O)NC[C@H]2CCCS2)c1[N+](=O)[O-] ZINC000567177988 391468759 /nfs/dbraw/zinc/46/87/59/391468759.db2.gz SPDMEEPARZNENO-MRVPVSSYSA-N 0 0 296.352 1.079 20 5 CDBDRN CC[C@@](C)(O)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439169208 391472991 /nfs/dbraw/zinc/47/29/91/391472991.db2.gz MVBIJASOLYDJAI-GFCCVEGCSA-N 0 0 267.285 1.267 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(NC[C@H](O)[C@H]2CCOC2)c(F)c1 ZINC000440597424 391418287 /nfs/dbraw/zinc/41/82/87/391418287.db2.gz PNKIFEFXOGCCJM-CPCISQLKSA-N 0 0 288.250 1.682 20 5 CDBDRN Cc1cn(Cc2ncn(-c3ccccc3)n2)nc1[N+](=O)[O-] ZINC000439183746 391518161 /nfs/dbraw/zinc/51/81/61/391518161.db2.gz CFJGEQAEKBKLKK-UHFFFAOYSA-N 0 0 284.279 1.729 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(CO)CCC2)c1 ZINC000182305550 391631232 /nfs/dbraw/zinc/63/12/32/391631232.db2.gz CZUZZTJJBFCIOR-UHFFFAOYSA-N 0 0 294.307 1.496 20 5 CDBDRN CNC(=O)CN(C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000291009716 391596567 /nfs/dbraw/zinc/59/65/67/391596567.db2.gz UUWARXVTXHVTBT-UHFFFAOYSA-N 0 0 255.249 1.225 20 5 CDBDRN C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000496523099 391695989 /nfs/dbraw/zinc/69/59/89/391695989.db2.gz HAYWDZONOWCGMI-IMTBSYHQSA-N 0 0 265.225 1.030 20 5 CDBDRN Cc1nc(N[C@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000296554335 391696817 /nfs/dbraw/zinc/69/68/17/391696817.db2.gz PAEQWWRGFVVHLF-SNVBAGLBSA-N 0 0 279.344 1.980 20 5 CDBDRN Cc1cnn(CCC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000129689524 391699684 /nfs/dbraw/zinc/69/96/84/391699684.db2.gz YBTLIBLLOTVMIM-UHFFFAOYSA-N 0 0 288.307 1.806 20 5 CDBDRN CCc1nn(C)c(N2CC[C@H](OCCOC)C2)c1[N+](=O)[O-] ZINC000186754136 391706940 /nfs/dbraw/zinc/70/69/40/391706940.db2.gz JWJQJIOOIYRSLF-JTQLQIEISA-N 0 0 298.343 1.132 20 5 CDBDRN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000189703330 130011765 /nfs/dbraw/zinc/01/17/65/130011765.db2.gz AEALIIBDEBGNMJ-SKDRFNHKSA-N 0 0 279.296 1.829 20 5 CDBDRN CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189984030 130046510 /nfs/dbraw/zinc/04/65/10/130046510.db2.gz JGTFEWWBDMHAKI-GHMZBOCLSA-N 0 0 279.296 1.066 20 5 CDBDRN CC(C)c1ccc(C(=O)N2CC(O)C2)cc1[N+](=O)[O-] ZINC000190093132 130058006 /nfs/dbraw/zinc/05/80/06/130058006.db2.gz LMZMYFIRYNKEBI-UHFFFAOYSA-N 0 0 264.281 1.535 20 5 CDBDRN O=[N+]([O-])c1cccc(F)c1NC[C@@H](O)COCC1CC1 ZINC000341839936 130084651 /nfs/dbraw/zinc/08/46/51/130084651.db2.gz AENZYZATPWOOKI-SNVBAGLBSA-N 0 0 284.287 1.933 20 5 CDBDRN CO[C@H](C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000190354854 130093740 /nfs/dbraw/zinc/09/37/40/130093740.db2.gz FOHCCKJORSBQCR-NXEZZACHSA-N 0 0 281.312 1.990 20 5 CDBDRN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000190669534 130131132 /nfs/dbraw/zinc/13/11/32/130131132.db2.gz GOILZAFYQJDXES-GHMZBOCLSA-N 0 0 293.323 1.375 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000341958083 130173862 /nfs/dbraw/zinc/17/38/62/130173862.db2.gz KKPVHAVIIGJDCE-GWCFXTLKSA-N 0 0 280.328 1.945 20 5 CDBDRN Cc1nc([C@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)no1 ZINC000191208874 130201191 /nfs/dbraw/zinc/20/11/91/130201191.db2.gz BLHXRJBZCHZIGE-ZETCQYMHSA-N 0 0 295.255 1.177 20 5 CDBDRN Cc1cnc(N2CCC3(COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC000495140623 391780636 /nfs/dbraw/zinc/78/06/36/391780636.db2.gz PYCCHFJXDWWMPS-UHFFFAOYSA-N 0 0 292.295 1.377 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCCOCC(F)F ZINC000191491114 130244560 /nfs/dbraw/zinc/24/45/60/130244560.db2.gz AJKZBNXOOHZMFS-UHFFFAOYSA-N 0 0 288.250 1.535 20 5 CDBDRN CC(C)[C@]1(C)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000458112784 391785675 /nfs/dbraw/zinc/78/56/75/391785675.db2.gz QITUOHIIFDHECY-SKDRFNHKSA-N 0 0 266.301 1.342 20 5 CDBDRN CC(C)=CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000191684195 130277112 /nfs/dbraw/zinc/27/71/12/130277112.db2.gz YCTKHWXDAZWGGV-UHFFFAOYSA-N 0 0 251.242 1.391 20 5 CDBDRN Cc1cc(N2CC[S@](=O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000356823559 391935274 /nfs/dbraw/zinc/93/52/74/391935274.db2.gz QGVVHCWMPNVCHT-YPMLDQLKSA-N 0 0 268.338 1.860 20 5 CDBDRN C[C@@H]1CC[C@@](CO)(N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243042 391907685 /nfs/dbraw/zinc/90/76/85/391907685.db2.gz VOBKDLHOQTWZMU-ZWNOBZJWSA-N 0 0 282.344 1.311 20 5 CDBDRN O=c1ccn(Cc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000163279098 391909245 /nfs/dbraw/zinc/90/92/45/391909245.db2.gz CQWGVIZQOFTGSH-UHFFFAOYSA-N 0 0 260.249 1.297 20 5 CDBDRN C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000305192260 391910847 /nfs/dbraw/zinc/91/08/47/391910847.db2.gz DDNLVKKSBBEHJI-ZJUUUORDSA-N 0 0 296.298 1.967 20 5 CDBDRN COC(=O)N1CC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000495694825 391912619 /nfs/dbraw/zinc/91/26/19/391912619.db2.gz HHPZFZAIZGDOFL-UHFFFAOYSA-N 0 0 296.239 1.366 20 5 CDBDRN Cc1cnc(OC[C@@H]2CN(C)C(=O)O2)c([N+](=O)[O-])c1 ZINC000495788920 391915228 /nfs/dbraw/zinc/91/52/28/391915228.db2.gz TZPOPZWWXCKAGS-QMMMGPOBSA-N 0 0 267.241 1.128 20 5 CDBDRN COC(=O)Nc1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000496430652 391921892 /nfs/dbraw/zinc/92/18/92/391921892.db2.gz CLXYPMHDEZMMDR-GHMZBOCLSA-N 0 0 293.279 1.146 20 5 CDBDRN C[C@H](COC(=O)CCN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496553018 391923675 /nfs/dbraw/zinc/92/36/75/391923675.db2.gz RPLQGDSDXWEGHV-SECBINFHSA-N 0 0 290.316 1.452 20 5 CDBDRN Nc1ccc([N+](=O)[O-])c(NCCCO[C@H]2CCOC2)c1 ZINC000192799448 130547837 /nfs/dbraw/zinc/54/78/37/130547837.db2.gz KEHYNVHZNQGWHZ-NSHDSACASA-N 0 0 281.312 1.785 20 5 CDBDRN Cc1ccc(C(=O)NCCCCO)cc1[N+](=O)[O-] ZINC000193289257 130607796 /nfs/dbraw/zinc/60/77/96/130607796.db2.gz UMVBETSRKSUDFH-UHFFFAOYSA-N 0 0 252.270 1.406 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCOC(C)(C)C1 ZINC000192493148 392088478 /nfs/dbraw/zinc/08/84/78/392088478.db2.gz PFDUTHOEWVKBKR-UHFFFAOYSA-N 0 0 268.317 1.735 20 5 CDBDRN O=[N+]([O-])c1ccc(NCCCOCCO)c(F)c1 ZINC000227313872 130840265 /nfs/dbraw/zinc/84/02/65/130840265.db2.gz LDFWVYGSNNMCOX-UHFFFAOYSA-N 0 0 258.249 1.545 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](OC)[C@H](OC)C1 ZINC000488038859 392202570 /nfs/dbraw/zinc/20/25/70/392202570.db2.gz BYAYHZHZBHIAMS-ZIAGYGMSSA-N 0 0 296.323 1.449 20 5 CDBDRN CCC[C@](C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000231684735 130918123 /nfs/dbraw/zinc/91/81/23/130918123.db2.gz GRBQCWKGKCJWCS-AWEZNQCLSA-N 0 0 280.324 1.805 20 5 CDBDRN CCN(C)C(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000231865685 130921098 /nfs/dbraw/zinc/92/10/98/130921098.db2.gz GWOJHZNHVROOKI-QMMMGPOBSA-N 0 0 252.274 1.269 20 5 CDBDRN COC(=O)C[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247978153 131108565 /nfs/dbraw/zinc/10/85/65/131108565.db2.gz FGAGFFMULFLGBR-VIFPVBQESA-N 0 0 280.280 1.585 20 5 CDBDRN Cc1nn(CCC(=O)N2CCO[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000263678130 131307303 /nfs/dbraw/zinc/30/73/03/131307303.db2.gz NYDYIJBUPNOTHE-VIFPVBQESA-N 0 0 296.327 1.046 20 5 CDBDRN O=C(NN1CCCCC1=O)c1csc([N+](=O)[O-])c1 ZINC000263776376 131327954 /nfs/dbraw/zinc/32/79/54/131327954.db2.gz MYRPOVZHJSJLBA-UHFFFAOYSA-N 0 0 269.282 1.314 20 5 CDBDRN COCCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000263925880 131362401 /nfs/dbraw/zinc/36/24/01/131362401.db2.gz RJGPFXAMYBRMAO-UHFFFAOYSA-N 0 0 267.285 1.159 20 5 CDBDRN Cc1c(C(=O)N[C@@H](C(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000264350659 131436635 /nfs/dbraw/zinc/43/66/35/131436635.db2.gz CVWTVQBBJGLMGH-LLVKDONJSA-N 0 0 279.296 1.143 20 5 CDBDRN COc1cc(C(=O)NC2CCC2)c([N+](=O)[O-])cc1OC ZINC000264359200 131438259 /nfs/dbraw/zinc/43/82/59/131438259.db2.gz AMMDZRCIEIQIDR-UHFFFAOYSA-N 0 0 280.280 1.894 20 5 CDBDRN CCC(CC)[C@H](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])OC ZINC000548960191 392519132 /nfs/dbraw/zinc/51/91/32/392519132.db2.gz DCTOEDKWGJIGOM-NSHDSACASA-N 0 0 298.343 1.889 20 5 CDBDRN CCOC[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000459694540 392499733 /nfs/dbraw/zinc/49/97/33/392499733.db2.gz AAGPZCZSMIXAHU-NSHDSACASA-N 0 0 282.344 1.719 20 5 CDBDRN CC(=O)N[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000548750380 392506794 /nfs/dbraw/zinc/50/67/94/392506794.db2.gz LLIQZXDRNFCJLE-LBPRGKRZSA-N 0 0 297.286 1.833 20 5 CDBDRN Cc1ccc(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000265252485 131568233 /nfs/dbraw/zinc/56/82/33/131568233.db2.gz GWXXZGBFVPGMMR-UHFFFAOYSA-N 0 0 288.307 1.459 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@H](CO)c1ccc(F)cc1 ZINC000265289957 131573067 /nfs/dbraw/zinc/57/30/67/131573067.db2.gz AZQSTKZEKURZAN-SNVBAGLBSA-N 0 0 280.259 1.613 20 5 CDBDRN COC[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000265884158 131652735 /nfs/dbraw/zinc/65/27/35/131652735.db2.gz QEZZEOHKYBNMFL-JTQLQIEISA-N 0 0 293.323 1.594 20 5 CDBDRN CSC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOCC1 ZINC000266245349 131706881 /nfs/dbraw/zinc/70/68/81/131706881.db2.gz QUMXBFSESODGBA-UHFFFAOYSA-N 0 0 299.352 1.565 20 5 CDBDRN Nc1nc(N2C[C@@H]3CCCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000301577140 392727595 /nfs/dbraw/zinc/72/75/95/392727595.db2.gz SWPPALQEHZTSSC-DTORHVGOSA-N 0 0 263.301 1.593 20 5 CDBDRN Cc1ccn(CC(=O)N2CCCC[C@H]2C)c(=O)c1[N+](=O)[O-] ZINC000129617252 392836837 /nfs/dbraw/zinc/83/68/37/392836837.db2.gz HMSAZZNGCQISQW-LLVKDONJSA-N 0 0 293.323 1.466 20 5 CDBDRN CC(C)Oc1nc(N2CC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000516938472 392794464 /nfs/dbraw/zinc/79/44/64/392794464.db2.gz YMPLMLGXFWXBLW-UHFFFAOYSA-N 0 0 280.284 1.013 20 5 CDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(n2ccnc2)C1 ZINC000523689961 392890904 /nfs/dbraw/zinc/89/09/04/392890904.db2.gz IMZLXRLMIXJQMQ-UHFFFAOYSA-N 0 0 290.254 1.628 20 5 CDBDRN COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)cn1 ZINC000521801883 392870272 /nfs/dbraw/zinc/87/02/72/392870272.db2.gz WBMNOPOTMKHLAH-UHFFFAOYSA-N 0 0 290.279 1.614 20 5 CDBDRN Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)cn(C)c1=O ZINC000489162979 392921214 /nfs/dbraw/zinc/92/12/14/392921214.db2.gz SVDUVXKSSSJUNZ-UHFFFAOYSA-N 0 0 293.304 1.916 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)C1=O ZINC000421475781 392936808 /nfs/dbraw/zinc/93/68/08/392936808.db2.gz MXTBGNOCTLDPPK-LLVKDONJSA-N 0 0 291.307 1.172 20 5 CDBDRN Cc1nc(N[C@H]2CC(=O)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000268448309 132011063 /nfs/dbraw/zinc/01/10/63/132011063.db2.gz FFGXBPJBKJMQJB-VIFPVBQESA-N 0 0 276.296 1.473 20 5 CDBDRN Cc1n[nH]c(C(=O)N[C@H](C)C2CCOCC2)c1[N+](=O)[O-] ZINC000268642662 132041352 /nfs/dbraw/zinc/04/13/52/132041352.db2.gz CFEPVJOTCKDIQR-SSDOTTSWSA-N 0 0 282.300 1.171 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC(=O)N(C)C ZINC000421432318 392934950 /nfs/dbraw/zinc/93/49/50/392934950.db2.gz LDSQBQJSDCQLGA-UHFFFAOYSA-N 0 0 293.323 1.420 20 5 CDBDRN CCN(C(C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525174717 392920857 /nfs/dbraw/zinc/92/08/57/392920857.db2.gz JDCYFFAICAJFOF-UHFFFAOYSA-N 0 0 273.314 1.409 20 5 CDBDRN CSC[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000269000631 132098115 /nfs/dbraw/zinc/09/81/15/132098115.db2.gz ULVKGMLNLBJSOI-VIFPVBQESA-N 0 0 284.341 1.145 20 5 CDBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCO ZINC000269290571 132150401 /nfs/dbraw/zinc/15/04/01/132150401.db2.gz PRJSEYWFQYMGCW-UHFFFAOYSA-N 0 0 272.232 1.315 20 5 CDBDRN CC[C@@H](COC)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269338310 132157099 /nfs/dbraw/zinc/15/70/99/132157099.db2.gz BSCKBBHRCZGDAG-QMMMGPOBSA-N 0 0 284.316 1.596 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1NCCc1nnc[nH]1 ZINC000269352702 132158378 /nfs/dbraw/zinc/15/83/78/132158378.db2.gz SJUFTDZMVOBTSU-UHFFFAOYSA-N 0 0 277.284 1.514 20 5 CDBDRN COC(=O)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269380153 132162776 /nfs/dbraw/zinc/16/27/76/132162776.db2.gz DGHBRCQFRLMGOC-QMMMGPOBSA-N 0 0 281.268 1.091 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCOC1 ZINC000041373016 139603415 /nfs/dbraw/zinc/60/34/15/139603415.db2.gz FZZNKXUXJYBGGT-SECBINFHSA-N 0 0 280.280 1.370 20 5 CDBDRN COc1ccc(CSc2n[nH]c(=O)n2C)cc1[N+](=O)[O-] ZINC000042152819 139606434 /nfs/dbraw/zinc/60/64/34/139606434.db2.gz TXHFLJMDJVKHLW-UHFFFAOYSA-N 0 0 296.308 1.318 20 5 CDBDRN CCCN(CC(N)=O)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430153786 393090841 /nfs/dbraw/zinc/09/08/41/393090841.db2.gz WDDHHVFAVYWESF-UHFFFAOYSA-N 0 0 265.313 1.601 20 5 CDBDRN CCNC(=O)CN(CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194475 393091632 /nfs/dbraw/zinc/09/16/32/393091632.db2.gz JKEANDDSTDXBQM-UHFFFAOYSA-N 0 0 295.339 1.561 20 5 CDBDRN COC(=O)CN(Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430203858 393092622 /nfs/dbraw/zinc/09/26/22/393092622.db2.gz JOLBSPFTBFMOQF-UHFFFAOYSA-N 0 0 294.307 1.741 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1CCO ZINC000012021665 393049772 /nfs/dbraw/zinc/04/97/72/393049772.db2.gz MWXMLUZEFZFPPF-LBPRGKRZSA-N 0 0 278.308 1.972 20 5 CDBDRN CC1(C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000530849191 393055649 /nfs/dbraw/zinc/05/56/49/393055649.db2.gz FGDIAUXIZPYCCR-UHFFFAOYSA-N 0 0 292.291 1.991 20 5 CDBDRN NC(=O)C1(CNc2sccc2[N+](=O)[O-])CCOCC1 ZINC000301930432 393055852 /nfs/dbraw/zinc/05/58/52/393055852.db2.gz KLQNGUBKHLTSFH-UHFFFAOYSA-N 0 0 285.325 1.350 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N(C)C2CCOCC2)c1[N+](=O)[O-] ZINC000532462428 393075021 /nfs/dbraw/zinc/07/50/21/393075021.db2.gz MHMSCIVZHLKZDF-UHFFFAOYSA-N 0 0 296.327 1.692 20 5 CDBDRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC(O)(C(F)F)C1 ZINC000493762583 393220198 /nfs/dbraw/zinc/22/01/98/393220198.db2.gz XNDSWCLFIJQWSC-SNAWJCMRSA-N 0 0 298.245 1.446 20 5 CDBDRN COc1cccc(C(=O)Nc2cc(C)[nH]n2)c1[N+](=O)[O-] ZINC000193178336 393252845 /nfs/dbraw/zinc/25/28/45/393252845.db2.gz WPZRUNWORPUBDA-UHFFFAOYSA-N 0 0 276.252 1.887 20 5 CDBDRN Cc1nnc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)o1 ZINC000487913759 393327245 /nfs/dbraw/zinc/32/72/45/393327245.db2.gz NOKWJTORHHUVJS-UHFFFAOYSA-N 0 0 286.247 1.649 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C ZINC000175059331 393442496 /nfs/dbraw/zinc/44/24/96/393442496.db2.gz YDNMIHSAYFTUSB-UHFFFAOYSA-N 0 0 258.299 1.462 20 5 CDBDRN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000135062028 139884244 /nfs/dbraw/zinc/88/42/44/139884244.db2.gz UUOOLANTNRAXDY-UHFFFAOYSA-N 0 0 298.262 1.960 20 5 CDBDRN NCC(F)(F)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000162580178 139915517 /nfs/dbraw/zinc/91/55/17/139915517.db2.gz PNEAIJNAYPSTNH-UHFFFAOYSA-N 0 0 277.202 1.058 20 5 CDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(CO)CC1 ZINC000165704540 139926245 /nfs/dbraw/zinc/92/62/45/139926245.db2.gz FNJPQKSABKQFPD-UHFFFAOYSA-N 0 0 282.271 1.578 20 5 CDBDRN O=C(N[C@H]1CCCC[C@@H]1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165720137 139926503 /nfs/dbraw/zinc/92/65/03/139926503.db2.gz HXWRVBAIUKXURZ-RYUDHWBXSA-N 0 0 282.271 1.767 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000167632528 139934131 /nfs/dbraw/zinc/93/41/31/139934131.db2.gz GOFVGIRGUUUQBN-GHMZBOCLSA-N 0 0 294.307 1.125 20 5 CDBDRN CCC[C@](C)(CO)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000180245659 140015413 /nfs/dbraw/zinc/01/54/13/140015413.db2.gz JQAHRCRKHUYNMF-CQSZACIVSA-N 0 0 295.339 1.674 20 5 CDBDRN COCc1nc(CNc2cccc([N+](=O)[O-])c2)no1 ZINC000182440764 140020199 /nfs/dbraw/zinc/02/01/99/140020199.db2.gz WBSWDAPPJQEQEX-UHFFFAOYSA-N 0 0 264.241 1.736 20 5 CDBDRN O=C(Nc1ccc(O)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185853230 140047853 /nfs/dbraw/zinc/04/78/53/140047853.db2.gz SSSDTNDCINIHEM-UHFFFAOYSA-N 0 0 275.220 1.653 20 5 CDBDRN C[C@H]1C(=O)NCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000188101988 140087515 /nfs/dbraw/zinc/08/75/15/140087515.db2.gz MAHISFYADTUKDR-QMMMGPOBSA-N 0 0 295.270 1.085 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1O ZINC000191595545 140136509 /nfs/dbraw/zinc/13/65/09/140136509.db2.gz DVUVBQVGTCXBGM-UHFFFAOYSA-N 0 0 289.247 1.956 20 5 CDBDRN CO[C@@H](C)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000224354337 140173784 /nfs/dbraw/zinc/17/37/84/140173784.db2.gz XXHGXIBNOYQRFN-ZETCQYMHSA-N 0 0 278.268 1.278 20 5 CDBDRN O=C(NC[C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000227523375 140186015 /nfs/dbraw/zinc/18/60/15/140186015.db2.gz VLTCAFTWDVELRU-GXFFZTMASA-N 0 0 278.308 1.876 20 5 CDBDRN C[C@H](C[C@H](C)O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000228206135 140193568 /nfs/dbraw/zinc/19/35/68/140193568.db2.gz BNIHIUDJFNIEPA-BDAKNGLRSA-N 0 0 288.325 1.033 20 5 CDBDRN Cc1cc(C(=O)NC[C@H](O)C(F)F)cc([N+](=O)[O-])c1 ZINC000230231465 140208727 /nfs/dbraw/zinc/20/87/27/140208727.db2.gz SCRQDBRJQBSERE-VIFPVBQESA-N 0 0 274.223 1.259 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000230259998 140209896 /nfs/dbraw/zinc/20/98/96/140209896.db2.gz IEJRTBNJBCCJGQ-SKDRFNHKSA-N 0 0 294.307 1.446 20 5 CDBDRN COc1cc(NCC(=O)N2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000230355177 140212397 /nfs/dbraw/zinc/21/23/97/140212397.db2.gz XRMNHEJAGDYBFH-UHFFFAOYSA-N 0 0 297.286 1.777 20 5 CDBDRN CNc1c(C(=O)N2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000231524196 140216497 /nfs/dbraw/zinc/21/64/97/140216497.db2.gz CKBZXVZZPQQRDP-ZDUSSCGKSA-N 0 0 279.296 1.233 20 5 CDBDRN Cc1c(CNC(=O)c2ccc(=O)[nH]c2)cccc1[N+](=O)[O-] ZINC000231876506 140219458 /nfs/dbraw/zinc/21/94/58/140219458.db2.gz RXNKJLKFBHUDCS-UHFFFAOYSA-N 0 0 287.275 1.522 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251670860 140311269 /nfs/dbraw/zinc/31/12/69/140311269.db2.gz INDAGAHILKEWOQ-UHTWSYAYSA-N 0 0 291.307 1.596 20 5 CDBDRN CC[C@H](C)[C@H](O)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000305061580 140536881 /nfs/dbraw/zinc/53/68/81/140536881.db2.gz LEMSFAWRIKZJPV-GXSJLCMTSA-N 0 0 298.343 1.050 20 5 CDBDRN C[C@@H](O)CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000227999629 397606768 /nfs/dbraw/zinc/60/67/68/397606768.db2.gz PCIHZPKPVZGLHJ-MRVPVSSYSA-N 0 0 267.285 1.267 20 5 CDBDRN CC[C@H](CCO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000133719460 397607441 /nfs/dbraw/zinc/60/74/41/397607441.db2.gz KOXJYHKDZIOZBD-NNNHXZLVSA-N 0 0 278.308 1.885 20 5 CDBDRN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCC1(O)CCC1 ZINC000396761341 397706553 /nfs/dbraw/zinc/70/65/53/397706553.db2.gz KNUINGSUNNZPKX-UHFFFAOYSA-N 0 0 289.291 1.610 20 5 CDBDRN CC(C)(C)NC(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606848 146941084 /nfs/dbraw/zinc/94/10/84/146941084.db2.gz SXMKHJYVXCWZQF-UHFFFAOYSA-N 0 0 291.351 1.868 20 5 CDBDRN COCC[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000101520375 147135101 /nfs/dbraw/zinc/13/51/01/147135101.db2.gz NJPQPTAYTQGKMK-SNVBAGLBSA-N 0 0 281.312 1.548 20 5 CDBDRN Cc1nn(CCC(=O)OC(C)C)c(C)c1[N+](=O)[O-] ZINC000102505663 147153222 /nfs/dbraw/zinc/15/32/22/147153222.db2.gz FOPKMMJHDKYLPF-UHFFFAOYSA-N 0 0 255.274 1.750 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCCO ZINC000105717722 147225654 /nfs/dbraw/zinc/22/56/54/147225654.db2.gz SEEHWCPPGJVIKP-UHFFFAOYSA-N 0 0 283.284 1.034 20 5 CDBDRN Cc1ccnc(NC[C@@H](O)c2ccncc2)c1[N+](=O)[O-] ZINC000128508323 147601375 /nfs/dbraw/zinc/60/13/75/147601375.db2.gz XCIHTGOFFGISDK-LLVKDONJSA-N 0 0 274.280 1.839 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCNC(=O)C1 ZINC000177863451 148043549 /nfs/dbraw/zinc/04/35/49/148043549.db2.gz VIRFRSGTLAGFOQ-SNVBAGLBSA-N 0 0 291.307 1.079 20 5 CDBDRN O=[N+]([O-])c1ccn(CCSc2ncccn2)n1 ZINC000178455916 148058189 /nfs/dbraw/zinc/05/81/89/148058189.db2.gz KMUGCVHVXLIKCS-UHFFFAOYSA-N 0 0 251.271 1.374 20 5 CDBDRN Cn1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cn1 ZINC000180357961 148147297 /nfs/dbraw/zinc/14/72/97/148147297.db2.gz XXIUMQONFJHUGU-UHFFFAOYSA-N 0 0 290.235 1.309 20 5 CDBDRN C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180524766 148154098 /nfs/dbraw/zinc/15/40/98/148154098.db2.gz UACDYSSNMIFBRU-RKDXNWHRSA-N 0 0 278.312 1.881 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC(=O)N(C)C1 ZINC000193236483 148615112 /nfs/dbraw/zinc/61/51/12/148615112.db2.gz AETWENYDPKVOOS-NSHDSACASA-N 0 0 291.307 1.032 20 5 CDBDRN CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262024186 149003286 /nfs/dbraw/zinc/00/32/86/149003286.db2.gz ATLBNNKXMZUDLV-NSHDSACASA-N 0 0 293.323 1.515 20 5 CDBDRN CNc1c(C(=O)N2CC(OC)C2)cccc1[N+](=O)[O-] ZINC000311342168 149211918 /nfs/dbraw/zinc/21/19/18/149211918.db2.gz LAIZMNVOEKZTHO-UHFFFAOYSA-N 0 0 265.269 1.107 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H](CO)C2)nc1 ZINC000312010518 149225822 /nfs/dbraw/zinc/22/58/22/149225822.db2.gz UAPUFUCDEZVXRE-NXEZZACHSA-N 0 0 266.301 1.595 20 5 CDBDRN Cn1c(C(=O)NC[C@@H]2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000314675018 149256375 /nfs/dbraw/zinc/25/63/75/149256375.db2.gz QHQKQXMHFXXYLY-GHMZBOCLSA-N 0 0 295.339 1.462 20 5 CDBDRN Cc1cc(C(=O)N[C@H]2CC[S@](=O)C2)cc([N+](=O)[O-])c1 ZINC000334065419 149312787 /nfs/dbraw/zinc/31/27/87/149312787.db2.gz ZBFDSBHCCYFSSW-OVWNDWIMSA-N 0 0 282.321 1.154 20 5 CDBDRN Cn1c(C(=O)N2CCSC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000334750523 149876610 /nfs/dbraw/zinc/87/66/10/149876610.db2.gz DTYOWHLJXZVGLC-NSHDSACASA-N 0 0 295.364 1.901 20 5 CDBDRN Cc1cc(NCc2cc[nH]c(=O)c2)ncc1[N+](=O)[O-] ZINC000340833635 151792077 /nfs/dbraw/zinc/79/20/77/151792077.db2.gz NGZCPIHXFFEFTF-UHFFFAOYSA-N 0 0 260.253 1.433 20 5 CDBDRN CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000340818631 151792097 /nfs/dbraw/zinc/79/20/97/151792097.db2.gz LBCAGUYUPPCENM-ZWNOBZJWSA-N 0 0 294.307 1.203 20 5 CDBDRN Cc1ccc(CO)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000342957548 151974030 /nfs/dbraw/zinc/97/40/30/151974030.db2.gz UMPYUFSDHZHNSE-UHFFFAOYSA-N 0 0 290.279 1.231 20 5 CDBDRN COc1cccc([C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000343170000 152059247 /nfs/dbraw/zinc/05/92/47/152059247.db2.gz BDVJGAPUZXBWLC-MRVPVSSYSA-N 0 0 290.279 1.818 20 5 CDBDRN Cn1ccnc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343744319 152287521 /nfs/dbraw/zinc/28/75/21/152287521.db2.gz QQBJYWJZAABIAO-UHFFFAOYSA-N 0 0 275.268 1.650 20 5 CDBDRN CCCNC(=O)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344191201 152450917 /nfs/dbraw/zinc/45/09/17/152450917.db2.gz UEAIDOJTLDIWAX-UHFFFAOYSA-N 0 0 297.286 1.380 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000344229758 152464780 /nfs/dbraw/zinc/46/47/80/152464780.db2.gz IJNBTPMPZYDOFA-DTORHVGOSA-N 0 0 282.271 1.983 20 5 CDBDRN COC(=O)[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344262684 152475958 /nfs/dbraw/zinc/47/59/58/152475958.db2.gz PMXZOEBWZFPXEN-SSDOTTSWSA-N 0 0 284.243 1.273 20 5 CDBDRN Cn1c(C(=O)NC[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000344645756 152598531 /nfs/dbraw/zinc/59/85/31/152598531.db2.gz PGJFFGLEDLRMDD-QMMMGPOBSA-N 0 0 269.326 1.416 20 5 CDBDRN CSC1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCC1 ZINC000345290043 152789940 /nfs/dbraw/zinc/78/99/40/152789940.db2.gz KDBHIJARVGVTCI-UHFFFAOYSA-N 0 0 284.341 1.344 20 5 CDBDRN Cc1ccn(CC(=O)[C@@H]2CCCOC2)c(=O)c1[N+](=O)[O-] ZINC000345680012 152911518 /nfs/dbraw/zinc/91/15/18/152911518.db2.gz FGPYKFLLNDEXNU-SNVBAGLBSA-N 0 0 280.280 1.061 20 5 CDBDRN 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O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnon3)C2)nc1 ZINC000851844481 927642011 /nfs/dbraw/zinc/64/20/11/927642011.db2.gz WKJPMHYDXWDPIJ-VIFPVBQESA-N 0 0 290.283 1.059 20 5 CDBDRN CC[C@H](C)[C@H](Nc1cnc(F)c([N+](=O)[O-])c1)C(N)=O ZINC001169157004 927788073 /nfs/dbraw/zinc/78/80/73/927788073.db2.gz JWZKOQMWZQQTEE-RCOVLWMOSA-N 0 0 270.264 1.441 20 5 CDBDRN Cc1cc(NCC(=O)N2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000853264495 927994461 /nfs/dbraw/zinc/99/44/61/927994461.db2.gz FSRUWQLKQONXIA-UHFFFAOYSA-N 0 0 298.368 1.151 20 5 CDBDRN COc1cc(NCC(=O)N2CCCC2)ncc1[N+](=O)[O-] ZINC001156347295 928271835 /nfs/dbraw/zinc/27/18/35/928271835.db2.gz GLPGRWLPDGOCIJ-UHFFFAOYSA-N 0 0 280.284 1.033 20 5 CDBDRN CN1CCOC[C@@H]1CNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001169651670 928283537 /nfs/dbraw/zinc/28/35/37/928283537.db2.gz RZOFADLFHZIJHX-VIFPVBQESA-N 0 0 291.311 1.214 20 5 CDBDRN Cc1ccc(N2C[C@](C)(CO)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000858774825 928918649 /nfs/dbraw/zinc/91/86/49/928918649.db2.gz 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NC(=O)c1cc(S[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596204277 343264913 /nfs/dbraw/zinc/26/49/13/343264913.db2.gz BTNVWIDNBHONED-MRVPVSSYSA-N 0 0 268.294 1.575 20 5 CDBDRN Nc1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1[N+](=O)[O-] ZINC000596219005 343269727 /nfs/dbraw/zinc/26/97/27/343269727.db2.gz OHUMFTMIPJWYIP-KOLCDFICSA-N 0 0 278.312 1.363 20 5 CDBDRN Cc1cc(N(C)CCOCCO)c([N+](=O)[O-])s1 ZINC000596222254 343270767 /nfs/dbraw/zinc/27/07/67/343270767.db2.gz RTHSFGQQEFRUBO-UHFFFAOYSA-N 0 0 260.315 1.410 20 5 CDBDRN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](O)C3)nc2c1 ZINC000083173278 342377626 /nfs/dbraw/zinc/37/76/26/342377626.db2.gz PRHLNYVZHRWOEN-SECBINFHSA-N 0 0 263.253 1.303 20 5 CDBDRN CO[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000596262587 343278628 /nfs/dbraw/zinc/27/86/28/343278628.db2.gz HLYGVMYLHOYNPR-SNVBAGLBSA-N 0 0 281.312 1.947 20 5 CDBDRN CC[C@@]1(C)CC(=O)N(Cc2onc(C)c2[N+](=O)[O-])C1=O ZINC000596265636 343279828 /nfs/dbraw/zinc/27/98/28/343279828.db2.gz VDSXUJKPUDCMGG-LBPRGKRZSA-N 0 0 281.268 1.566 20 5 CDBDRN Cc1cc(Cn2c(C)ccc([N+](=O)[O-])c2=O)nc(C)n1 ZINC000596268527 343281050 /nfs/dbraw/zinc/28/10/50/343281050.db2.gz LNDQZKMFQYVNCD-UHFFFAOYSA-N 0 0 274.280 1.520 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(OCCc2cncn2C)n1 ZINC000596269277 343281234 /nfs/dbraw/zinc/28/12/34/343281234.db2.gz QFWYAZUBALDLOK-UHFFFAOYSA-N 0 0 276.296 1.962 20 5 CDBDRN C[C@@H](O)C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000596485224 343328456 /nfs/dbraw/zinc/32/84/56/343328456.db2.gz WTNIACDCNLRGBP-SSDOTTSWSA-N 0 0 283.259 1.769 20 5 CDBDRN Cc1cc(SCCN2CCOCC2)ncc1[N+](=O)[O-] ZINC000090069710 342393658 /nfs/dbraw/zinc/39/36/58/342393658.db2.gz QKVHSRZVMYJOCG-UHFFFAOYSA-N 0 0 283.353 1.723 20 5 CDBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CS1 ZINC000596273879 343294792 /nfs/dbraw/zinc/29/47/92/343294792.db2.gz VKMOMBQYKYCIPM-VXNVDRBHSA-N 0 0 281.337 2.000 20 5 CDBDRN CC(C)C[C@H](C)N(C)C(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000128193087 342394854 /nfs/dbraw/zinc/39/48/54/342394854.db2.gz AVOYTMKIPQXATR-JTQLQIEISA-N 0 0 268.317 1.684 20 5 CDBDRN Cc1nc(NCCN2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596428012 343312407 /nfs/dbraw/zinc/31/24/07/343312407.db2.gz GMPPKHUYMSHSQQ-GHMZBOCLSA-N 0 0 294.355 1.241 20 5 CDBDRN CCO[C@H](CC)c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000596616347 343356877 /nfs/dbraw/zinc/35/68/77/343356877.db2.gz VRAVMLGYVFHALC-MRVPVSSYSA-N 0 0 281.272 1.710 20 5 CDBDRN Cc1c(NC(=O)NC/C=C/CO)cccc1[N+](=O)[O-] ZINC000596636366 343363174 /nfs/dbraw/zinc/36/31/74/343363174.db2.gz UIZUEDUYEAGETF-NSCUHMNNSA-N 0 0 265.269 1.573 20 5 CDBDRN C[C@@H](c1ccccc1)[C@@H](O)CNc1c([N+](=O)[O-])ncn1C ZINC000596547751 343348324 /nfs/dbraw/zinc/34/83/24/343348324.db2.gz JZCXBYIFFAFZLQ-JQWIXIFHSA-N 0 0 290.323 1.905 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCc2n[nH]cc2C1 ZINC000092654382 342415949 /nfs/dbraw/zinc/41/59/49/342415949.db2.gz LWMILJAQYUEQPZ-JTQLQIEISA-N 0 0 273.296 1.991 20 5 CDBDRN CCCCN(CC(N)=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000092686457 342416750 /nfs/dbraw/zinc/41/67/50/342416750.db2.gz FBBQERPCWQEZOY-UHFFFAOYSA-N 0 0 265.313 1.995 20 5 CDBDRN CCC(=O)N1CC[C@@H](Nc2c([N+](=O)[O-])c(CC)nn2C)C1 ZINC000092830765 342419601 /nfs/dbraw/zinc/41/96/01/342419601.db2.gz MRAOBVDUJOAQBF-SECBINFHSA-N 0 0 295.343 1.314 20 5 CDBDRN CN(CCO)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000214731093 342439196 /nfs/dbraw/zinc/43/91/96/342439196.db2.gz OQEUQHXLXUWFNY-DAXSKMNVSA-N 0 0 250.254 1.059 20 5 CDBDRN CCc1nn(C)c(N2CC[C@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000091744463 342407162 /nfs/dbraw/zinc/40/71/62/342407162.db2.gz KPNGZJFGGHNSSG-ZYHUDNBSSA-N 0 0 294.355 1.896 20 5 CDBDRN CCOC(CCNc1ncc([N+](=O)[O-])c(C)n1)OCC ZINC000295029205 199308275 /nfs/dbraw/zinc/30/82/75/199308275.db2.gz MWEVBEBECJPNAV-UHFFFAOYSA-N 0 0 284.316 1.894 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](O)CC1 ZINC000295040636 199315738 /nfs/dbraw/zinc/31/57/38/199315738.db2.gz XHKPVRWGOQJYEY-NSHDSACASA-N 0 0 294.307 1.590 20 5 CDBDRN CC[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000290529207 197740152 /nfs/dbraw/zinc/74/01/52/197740152.db2.gz UXQUZDSMTGMQGJ-JTQLQIEISA-N 0 0 282.296 1.758 20 5 CDBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ncc[nH]1 ZINC000140856138 346958584 /nfs/dbraw/zinc/95/85/84/346958584.db2.gz URJKPONNBZFMPA-SSDOTTSWSA-N 0 0 263.257 1.147 20 5 CDBDRN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1CCO ZINC000598067114 343715776 /nfs/dbraw/zinc/71/57/76/343715776.db2.gz IAEJBKJSGGTKRS-ZYHUDNBSSA-N 0 0 295.339 1.556 20 5 CDBDRN CCCc1[nH]nc(C(=O)N=c2ccn(CC)[nH]2)c1[N+](=O)[O-] ZINC000598101940 343719999 /nfs/dbraw/zinc/71/99/99/343719999.db2.gz PPECFZOHCGHTRG-UHFFFAOYSA-N 0 0 292.299 1.161 20 5 CDBDRN CC(C)(C)OCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598188861 343731464 /nfs/dbraw/zinc/73/14/64/343731464.db2.gz WLLMPRLMBYZWRN-UHFFFAOYSA-N 0 0 297.311 1.630 20 5 CDBDRN CCSC1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000598328425 343767746 /nfs/dbraw/zinc/76/77/46/343767746.db2.gz FBJYJZAOVUYKFL-UHFFFAOYSA-N 0 0 297.336 1.711 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1([C@@H](C)O)CC1 ZINC000598384017 343781778 /nfs/dbraw/zinc/78/17/78/343781778.db2.gz MOFLOZWLGGEDTJ-SECBINFHSA-N 0 0 264.281 1.546 20 5 CDBDRN Cc1cc(C(=O)NC2([C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000598385250 343782320 /nfs/dbraw/zinc/78/23/20/343782320.db2.gz VGMRMLNQHXFYDD-VIFPVBQESA-N 0 0 264.281 1.546 20 5 CDBDRN O=C(NCCOCCF)c1ccc([N+](=O)[O-])s1 ZINC000598563080 343826271 /nfs/dbraw/zinc/82/62/71/343826271.db2.gz YFAHDUJBRIVWSX-UHFFFAOYSA-N 0 0 262.262 1.372 20 5 CDBDRN COC(=O)c1ccnc(NC[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000598590339 343837514 /nfs/dbraw/zinc/83/75/14/343837514.db2.gz QABQDCMUMRJSMC-VIFPVBQESA-N 0 0 295.295 1.615 20 5 CDBDRN CCc1ccc(C)nc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598762028 343890673 /nfs/dbraw/zinc/89/06/73/343890673.db2.gz NOKVQJPRRBKUBH-UHFFFAOYSA-N 0 0 289.295 1.846 20 5 CDBDRN CN(CC1=CCCOC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598771630 343901545 /nfs/dbraw/zinc/90/15/45/343901545.db2.gz YWKGKCGCGJXYBQ-UHFFFAOYSA-N 0 0 293.279 1.114 20 5 CDBDRN CN(CC1=CCSC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598781126 343905099 /nfs/dbraw/zinc/90/50/99/343905099.db2.gz ZGLAPQRFGOHLME-UHFFFAOYSA-N 0 0 295.320 1.441 20 5 CDBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1CO ZINC000598783453 343905873 /nfs/dbraw/zinc/90/58/73/343905873.db2.gz FOAGYYXKDSELCU-UWVGGRQHSA-N 0 0 281.312 1.024 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612099903 347017917 /nfs/dbraw/zinc/01/79/17/347017917.db2.gz VYUVQZBJPAAQOO-PLMOITTCSA-N 0 0 266.272 1.941 20 5 CDBDRN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](O)C1 ZINC000599041044 343943673 /nfs/dbraw/zinc/94/36/73/343943673.db2.gz RIGCQJKELAWYBP-SNVBAGLBSA-N 0 0 259.265 1.714 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1COCCN1C ZINC000599160770 343970892 /nfs/dbraw/zinc/97/08/92/343970892.db2.gz NAGPCLQZWYNTKG-NSHDSACASA-N 0 0 265.313 1.646 20 5 CDBDRN COC(=O)C[C@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000599164106 343972572 /nfs/dbraw/zinc/97/25/72/343972572.db2.gz HFHAQWMVOUOTKM-ZETCQYMHSA-N 0 0 272.232 1.070 20 5 CDBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000599110304 343954573 /nfs/dbraw/zinc/95/45/73/343954573.db2.gz POXDRNVTVKOHGF-OCAPTIKFSA-N 0 0 254.265 1.316 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CC(F)F)nc1 ZINC000599134347 343965530 /nfs/dbraw/zinc/96/55/30/343965530.db2.gz ULARUQNIWKSBRF-VIFPVBQESA-N 0 0 286.282 1.553 20 5 CDBDRN CC(C)Oc1nc(N2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000599152604 343968396 /nfs/dbraw/zinc/96/83/96/343968396.db2.gz KNDUBMMMPGDRNA-VIFPVBQESA-N 0 0 294.311 1.231 20 5 CDBDRN CC(=O)N[C@@H](C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000302378195 136452586 /nfs/dbraw/zinc/45/25/86/136452586.db2.gz HNYXVATVKOCBGN-JTQLQIEISA-N 0 0 292.339 1.731 20 5 CDBDRN Cc1ccc(NC(=O)NCCn2ccnc2)cc1[N+](=O)[O-] ZINC000043148382 344235304 /nfs/dbraw/zinc/23/53/04/344235304.db2.gz ZQIMMIDNIYFTOI-UHFFFAOYSA-N 0 0 289.295 1.921 20 5 CDBDRN CCCCOCCn1cc([N+](=O)[O-])c(C(=O)OC)n1 ZINC000601917173 344280556 /nfs/dbraw/zinc/28/05/56/344280556.db2.gz GFHAYKKHXWNEGT-UHFFFAOYSA-N 0 0 271.273 1.395 20 5 CDBDRN CC[C@]1(C)CC(=O)NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000601934640 344285681 /nfs/dbraw/zinc/28/56/81/344285681.db2.gz NIXDZXLOAAYALT-CYBMUJFWSA-N 0 0 277.280 1.779 20 5 CDBDRN COC(=O)c1nn(C[C@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000601918455 344291048 /nfs/dbraw/zinc/29/10/48/344291048.db2.gz WOJZLICQPBHOQU-VIFPVBQESA-N 0 0 285.300 1.639 20 5 CDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601971351 344300305 /nfs/dbraw/zinc/30/03/05/344300305.db2.gz BLHSLGGOGZIZMZ-AOOOYVTPSA-N 0 0 280.255 1.452 20 5 CDBDRN CC(C)(NC(=O)[C@H]1C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000602160933 344363980 /nfs/dbraw/zinc/36/39/80/344363980.db2.gz PPDRCSRDLWRZAX-AOOOYVTPSA-N 0 0 278.308 1.717 20 5 CDBDRN CCOc1cc(N2CCN(C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000601980202 344306974 /nfs/dbraw/zinc/30/69/74/344306974.db2.gz RGZXAJMQKIPCIX-LBPRGKRZSA-N 0 0 295.339 1.106 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCN(C)CC(=O)OC(C)(C)C ZINC000602770580 344575661 /nfs/dbraw/zinc/57/56/61/344575661.db2.gz UQMOQTADGVKRBE-UHFFFAOYSA-N 0 0 298.343 1.373 20 5 CDBDRN CO[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602756069 344581675 /nfs/dbraw/zinc/58/16/75/344581675.db2.gz KHNIYBJAKXJTKH-LBPRGKRZSA-N 0 0 295.295 1.740 20 5 CDBDRN CC(=O)c1ccc(N[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000265565760 362449163 /nfs/dbraw/zinc/44/91/63/362449163.db2.gz KPMGAFJQJGIRDE-LLVKDONJSA-N 0 0 277.280 1.440 20 5 CDBDRN C[C@]1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOC1=O ZINC000292519236 362477609 /nfs/dbraw/zinc/47/76/09/362477609.db2.gz QKONLECQEXWUTN-LBPRGKRZSA-N 0 0 298.682 1.684 20 5 CDBDRN CCSCCCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602953287 344671680 /nfs/dbraw/zinc/67/16/80/344671680.db2.gz RUEFQQXCXHNOQI-UHFFFAOYSA-N 0 0 298.368 1.985 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000602954827 344672256 /nfs/dbraw/zinc/67/22/56/344672256.db2.gz FWBVRDLDEKNILD-SCZZXKLOSA-N 0 0 278.312 1.982 20 5 CDBDRN CC[C@@H](C)N(C)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602955996 344672405 /nfs/dbraw/zinc/67/24/05/344672405.db2.gz GXHVGOZGFWQYTP-SECBINFHSA-N 0 0 266.301 1.982 20 5 CDBDRN CCNc1ccc(C(=O)N[C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402115831 344646123 /nfs/dbraw/zinc/64/61/23/344646123.db2.gz CQRPGSPQQBHFKR-GXSJLCMTSA-N 0 0 293.323 1.934 20 5 CDBDRN CC[C@@H](O)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000127255938 187292439 /nfs/dbraw/zinc/29/24/39/187292439.db2.gz JHRAKNKSUCOAHR-SSDOTTSWSA-N 0 0 266.257 1.704 20 5 CDBDRN CN(CCOc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000051589437 344781865 /nfs/dbraw/zinc/78/18/65/344781865.db2.gz KVHGHKJRVPRWLM-UHFFFAOYSA-N 0 0 293.323 1.184 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(C[C@@H]2CCCOC2)c1=O ZINC000603357500 344782700 /nfs/dbraw/zinc/78/27/00/344782700.db2.gz DOMSBKRNVMGGCW-VIFPVBQESA-N 0 0 268.269 1.192 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(CCOCC2CCCC2)c1=O ZINC000603359687 344783237 /nfs/dbraw/zinc/78/32/37/344783237.db2.gz RZBZQVIFULRIFQ-UHFFFAOYSA-N 0 0 296.323 1.972 20 5 CDBDRN C[C@@H](O)C1CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000603410015 344805426 /nfs/dbraw/zinc/80/54/26/344805426.db2.gz NZCHSJHOBJZRGW-SECBINFHSA-N 0 0 273.292 1.960 20 5 CDBDRN CN(CC(=O)N1CCCC1)c1cccnc1[N+](=O)[O-] ZINC000603842082 344838053 /nfs/dbraw/zinc/83/80/53/344838053.db2.gz GDMVKEHXYYIIGP-UHFFFAOYSA-N 0 0 264.285 1.048 20 5 CDBDRN CCC(C)(CC)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000159332466 344831603 /nfs/dbraw/zinc/83/16/03/344831603.db2.gz WQSYLLGVZFBLFF-UHFFFAOYSA-N 0 0 268.317 1.734 20 5 CDBDRN O=[N+]([O-])c1c(N2CCC(CO)CC2)nc2ccccn21 ZINC000052243605 362495540 /nfs/dbraw/zinc/49/55/40/362495540.db2.gz YETNNGCBPOMQPT-UHFFFAOYSA-N 0 0 276.296 1.451 20 5 CDBDRN C[C@H]1CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000604397737 344887123 /nfs/dbraw/zinc/88/71/23/344887123.db2.gz FYVHPLDRSAQDTO-JTQLQIEISA-N 0 0 291.307 1.336 20 5 CDBDRN O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000005292807 344942853 /nfs/dbraw/zinc/94/28/53/344942853.db2.gz CCJVQIYRDAZRJK-UHFFFAOYSA-N 0 0 289.291 1.959 20 5 CDBDRN CN(CC1(O)CCOCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000162030382 362512954 /nfs/dbraw/zinc/51/29/54/362512954.db2.gz NKOFHODKHALHGY-UHFFFAOYSA-N 0 0 294.307 1.208 20 5 CDBDRN COc1ccc(OC)c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000344164571 362547096 /nfs/dbraw/zinc/54/70/96/362547096.db2.gz CUFFXYIXUVKIMC-UHFFFAOYSA-N 0 0 290.275 1.822 20 5 CDBDRN CN(C(=O)Cc1ccco1)c1ccc([N+](=O)[O-])nc1 ZINC000344195549 362549457 /nfs/dbraw/zinc/54/94/57/362549457.db2.gz CJNXPDWIAMLWLJ-UHFFFAOYSA-N 0 0 261.237 1.788 20 5 CDBDRN O=[N+]([O-])c1ccccc1NCCN1CCCS1(=O)=O ZINC000060874801 345056069 /nfs/dbraw/zinc/05/60/69/345056069.db2.gz HMYKEEAHHADWGW-UHFFFAOYSA-N 0 0 285.325 1.042 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC(C)=O)c1 ZINC000129210204 362536630 /nfs/dbraw/zinc/53/66/30/362536630.db2.gz XJFNRZYQFGUFCG-QMMMGPOBSA-N 0 0 280.280 1.701 20 5 CDBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cnns1 ZINC000344078401 362543447 /nfs/dbraw/zinc/54/34/47/362543447.db2.gz QKHHCTISXYSFIW-UHFFFAOYSA-N 0 0 293.308 1.811 20 5 CDBDRN COc1cc(NC[C@H]2CN(C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000159863935 362544882 /nfs/dbraw/zinc/54/48/82/362544882.db2.gz MVSLUVKNQIDHGD-VIFPVBQESA-N 0 0 299.302 1.485 20 5 CDBDRN Cc1ncc(CNCc2ccc([N+](=O)[O-])cc2F)c(=O)[nH]1 ZINC000344320368 362568678 /nfs/dbraw/zinc/56/86/78/362568678.db2.gz CYNFOIARYRVYTI-UHFFFAOYSA-N 0 0 292.270 1.828 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CCSC[C@@H]2C)c1[N+](=O)[O-] ZINC000265666416 362571669 /nfs/dbraw/zinc/57/16/69/362571669.db2.gz ADROMKLJRBRXAR-LURJTMIESA-N 0 0 270.314 1.204 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cnc2n[nH]nc2c1 ZINC000542659241 362573575 /nfs/dbraw/zinc/57/35/75/362573575.db2.gz IIJLUZLKTDYFIY-UHFFFAOYSA-N 0 0 298.262 1.191 20 5 CDBDRN 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292.299 1.204 20 5 CDBDRN C[C@@H]1C[C@@H](Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CO1 ZINC001603861287 1175658101 /nfs/dbraw/zinc/65/81/01/1175658101.db2.gz LNLIVRFLSHMDQJ-HTQZYQBOSA-N 0 0 290.283 1.364 20 5 CDBDRN Cc1cnc(NC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000133613743 1175806448 /nfs/dbraw/zinc/80/64/48/1175806448.db2.gz NSEQRRNIZQXBQL-VIFPVBQESA-N 0 0 253.258 1.126 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1CO ZINC000135431946 1175823582 /nfs/dbraw/zinc/82/35/82/1175823582.db2.gz HEIGGMGSAAYIKR-ZDUSSCGKSA-N 0 0 278.308 1.511 20 5 CDBDRN Cc1cnc(NCC(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000230398463 1178150298 /nfs/dbraw/zinc/15/02/98/1178150298.db2.gz ARILTIZIOPEXHO-UHFFFAOYSA-N 0 0 252.274 1.222 20 5 CDBDRN Cc1cccc(N[C@H]2C=CS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000235926133 1178245288 /nfs/dbraw/zinc/24/52/88/1178245288.db2.gz XWZNRXFSPLTCHJ-VIFPVBQESA-N 0 0 268.294 1.626 20 5 CDBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)N(C)C[C@H]1C ZINC001164641713 719216291 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COc1cccc2c1CN(Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000840134000 790327069 /nfs/dbraw/zinc/32/70/69/790327069.db2.gz PIAPHQKFYDHFFS-UHFFFAOYSA-N 0 0 288.307 1.816 20 5 CDBDRN CC1=NO[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000831320086 790329926 /nfs/dbraw/zinc/32/99/26/790329926.db2.gz BILYFLYQNKNNBB-GFCCVEGCSA-N 0 0 277.280 1.418 20 5 CDBDRN C[C@@H]1CN=C(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])S1 ZINC000868972231 790381408 /nfs/dbraw/zinc/38/14/08/790381408.db2.gz VTKIATHIGCTMEW-SSDOTTSWSA-N 0 0 297.311 1.884 20 5 CDBDRN O=C(CCc1nnc[nH]1)OCc1cccc([N+](=O)[O-])c1 ZINC000125846099 790407900 /nfs/dbraw/zinc/40/79/00/790407900.db2.gz XYHKBXKAFYJIQM-UHFFFAOYSA-N 0 0 276.252 1.389 20 5 CDBDRN O=[N+]([O-])c1ccc(NNC(=S)NCC2CC2)cc1 ZINC000849250776 790491361 /nfs/dbraw/zinc/49/13/61/790491361.db2.gz DHFXYJFHIUEVBH-UHFFFAOYSA-N 0 0 266.326 1.796 20 5 CDBDRN C[C@H]1CCCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000173524020 790493229 /nfs/dbraw/zinc/49/32/29/790493229.db2.gz ZUGJWMPMNCSDOJ-VIFPVBQESA-N 0 0 289.291 1.633 20 5 CDBDRN Nc1c(C(=O)N2CCC[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000804290478 790616685 /nfs/dbraw/zinc/61/66/85/790616685.db2.gz HROBOXFYIOSJOW-GZMMTYOYSA-N 0 0 261.281 1.802 20 5 CDBDRN COCCCN(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825437929 790707825 /nfs/dbraw/zinc/70/78/25/790707825.db2.gz NIYBHYXXLSWRAX-GFCCVEGCSA-N 0 0 282.296 1.123 20 5 CDBDRN O=[N+]([O-])c1cnn(Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000176937749 790736283 /nfs/dbraw/zinc/73/62/83/790736283.db2.gz LZRDYVHSHYIUEY-UHFFFAOYSA-N 0 0 289.207 1.889 20 5 CDBDRN COc1cc(N[C@H](C)CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000136165809 790768963 /nfs/dbraw/zinc/76/89/63/790768963.db2.gz KTFZHAYUBXRAEA-SSDOTTSWSA-N 0 0 283.284 1.288 20 5 CDBDRN CC(C)n1ncc2cc(C(=O)O[C@H](C)C[N+](=O)[O-])cnc21 ZINC000814040893 790792508 /nfs/dbraw/zinc/79/25/08/790792508.db2.gz LHDGERNEIISWGJ-SECBINFHSA-N 0 0 292.295 1.834 20 5 CDBDRN CC(C)C(=O)COC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780074829 790811744 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ZINC000806074363 792848243 /nfs/dbraw/zinc/84/82/43/792848243.db2.gz KNOXAZNEENWMBX-LDYMZIIASA-N 0 0 278.264 1.371 20 5 CDBDRN CCc1nc(COC(=O)Cn2ccc([N+](=O)[O-])n2)cs1 ZINC000051703647 792855554 /nfs/dbraw/zinc/85/55/54/792855554.db2.gz WUJWDAGSUNFKIX-UHFFFAOYSA-N 0 0 296.308 1.554 20 5 CDBDRN CC(C)CCn1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839705242 792862150 /nfs/dbraw/zinc/86/21/50/792862150.db2.gz IBBQWWXKFFJILI-NXEZZACHSA-N 0 0 266.301 1.533 20 5 CDBDRN Cc1cc(F)cc(C(=O)N[C@@H](C)C2(CO)CC2)c1[N+](=O)[O-] ZINC000855477926 792864305 /nfs/dbraw/zinc/86/43/05/792864305.db2.gz AZDVTEPPJCLQFW-VIFPVBQESA-N 0 0 296.298 1.933 20 5 CDBDRN COC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801916709 792876949 /nfs/dbraw/zinc/87/69/49/792876949.db2.gz CNPAFZGITANMBL-MRVPVSSYSA-N 0 0 297.286 1.567 20 5 CDBDRN CN(Cc1cccc(=O)[nH]1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000887163600 792882765 /nfs/dbraw/zinc/88/27/65/792882765.db2.gz COADODQLRUUXRD-UHFFFAOYSA-N 0 0 281.312 1.581 20 5 CDBDRN CC[C@H]1CC[C@@H](C(=O)OCc2onc(C)c2[N+](=O)[O-])O1 ZINC000853903868 792888180 /nfs/dbraw/zinc/88/81/80/792888180.db2.gz HVJBPCCKAWLNPU-IUCAKERBSA-N 0 0 284.268 1.892 20 5 CDBDRN COC/C=C/C(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000870151089 792889020 /nfs/dbraw/zinc/88/90/20/792889020.db2.gz UFJPLWLUBIMKSC-ONEGZZNKSA-N 0 0 267.237 1.711 20 5 CDBDRN Cc1cc(Cl)c(C(=O)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000827237806 792900011 /nfs/dbraw/zinc/90/00/11/792900011.db2.gz AQBYNBJSQOIEJM-UHFFFAOYSA-N 0 0 297.742 1.992 20 5 CDBDRN CN1CC[C@@H](COc2cc([N+](=O)[O-])c(F)cc2F)C1=O ZINC000882174751 792919958 /nfs/dbraw/zinc/91/99/58/792919958.db2.gz IBJPMPUIABFSAD-ZETCQYMHSA-N 0 0 286.234 1.730 20 5 CDBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](O)C1 ZINC000829481413 792960407 /nfs/dbraw/zinc/96/04/07/792960407.db2.gz KLCFXRRUDFWYEL-JGZJWPJOSA-N 0 0 291.307 1.422 20 5 CDBDRN CC1(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000823974739 792982985 /nfs/dbraw/zinc/98/29/85/792982985.db2.gz WJYDMSUQHCDJCD-UHFFFAOYSA-N 0 0 294.311 1.868 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000814041874 792988693 /nfs/dbraw/zinc/98/86/93/792988693.db2.gz FLACFUIKHHSXPX-VIFPVBQESA-N 0 0 292.291 1.783 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000887485875 792990322 /nfs/dbraw/zinc/99/03/22/792990322.db2.gz YIUWKNKQXHJTMN-KOLCDFICSA-N 0 0 294.311 1.016 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]1CO ZINC000129608354 792997992 /nfs/dbraw/zinc/99/79/92/792997992.db2.gz MNAWPZZAKBSDTL-QMMMGPOBSA-N 0 0 284.699 1.845 20 5 CDBDRN COC(=O)N(C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855939208 793010927 /nfs/dbraw/zinc/01/09/27/793010927.db2.gz BUGMRCODYLXVGG-UHFFFAOYSA-N 0 0 299.258 1.162 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1Cc1ccc(-n2ccnc2)nc1 ZINC000776840501 793034969 /nfs/dbraw/zinc/03/49/69/793034969.db2.gz JILAZHQKIWARMB-UHFFFAOYSA-N 0 0 284.279 1.729 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000860916667 793036261 /nfs/dbraw/zinc/03/62/61/793036261.db2.gz VTCQTSNJSOUQPZ-UHFFFAOYSA-N 0 0 293.235 1.900 20 5 CDBDRN CC(C)COC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000163704197 793052682 /nfs/dbraw/zinc/05/26/82/793052682.db2.gz DFJMASLCYLQANV-JTQLQIEISA-N 0 0 294.307 1.912 20 5 CDBDRN CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(F)(F)F ZINC000840369545 793064164 /nfs/dbraw/zinc/06/41/64/793064164.db2.gz ROFUVUSLYWODOX-JKMUOGBPSA-N 0 0 268.235 1.745 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCC(=O)C1 ZINC000842692827 793077648 /nfs/dbraw/zinc/07/76/48/793077648.db2.gz CJBHYRSCQMYLKE-VIFPVBQESA-N 0 0 281.268 1.012 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])ccc1F)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000854599038 793091470 /nfs/dbraw/zinc/09/14/70/793091470.db2.gz TXIVDTIRIGDGIQ-URLYPYJESA-N 0 0 280.255 1.044 20 5 CDBDRN COC(=O)[C@H](NCc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886075116 793118884 /nfs/dbraw/zinc/11/88/84/793118884.db2.gz CHZCTHFAGDKCAR-JTQLQIEISA-N 0 0 281.312 1.667 20 5 CDBDRN Cc1cc(CNc2cc(F)c([N+](=O)[O-])cc2CO)n(C)n1 ZINC000865767272 793129153 /nfs/dbraw/zinc/12/91/53/793129153.db2.gz CUODTBZOVAIKGG-UHFFFAOYSA-N 0 0 294.286 1.880 20 5 CDBDRN Cc1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2F)o1 ZINC000830089838 793170906 /nfs/dbraw/zinc/17/09/06/793170906.db2.gz ISUIPHJTJNFIRW-LURJTMIESA-N 0 0 294.242 1.916 20 5 CDBDRN CC(C)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000124652611 793176143 /nfs/dbraw/zinc/17/61/43/793176143.db2.gz ZYVVUHSPZCGXEP-NSHDSACASA-N 0 0 270.260 1.481 20 5 CDBDRN O=C(NCCCCO)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935694520 793244538 /nfs/dbraw/zinc/24/45/38/793244538.db2.gz CPHTWCQMBMMWSR-QWHCGFSZSA-N 0 0 278.308 1.587 20 5 CDBDRN Cc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000884620843 793271738 /nfs/dbraw/zinc/27/17/38/793271738.db2.gz NSHHUOTUGMKVNT-QESKQRKVSA-N 0 0 286.715 1.853 20 5 CDBDRN Nc1cc(COC(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000791747044 793272283 /nfs/dbraw/zinc/27/22/83/793272283.db2.gz BSHQCFLRPYDVHY-UHFFFAOYSA-N 0 0 279.277 1.991 20 5 CDBDRN COc1c(C(=O)OC[C@@H](C)OC)cccc1[N+](=O)[O-] ZINC000796313301 793284068 /nfs/dbraw/zinc/28/40/68/793284068.db2.gz WHZSBIJPNILVBZ-MRVPVSSYSA-N 0 0 269.253 1.795 20 5 CDBDRN CNC(=O)CCCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000781231655 793297657 /nfs/dbraw/zinc/29/76/57/793297657.db2.gz KLZYXUVUSBAHRY-UHFFFAOYSA-N 0 0 280.280 1.554 20 5 CDBDRN O=C(NCCn1cccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000226697408 793315238 /nfs/dbraw/zinc/31/52/38/793315238.db2.gz GNDVDIRNRBZWKH-UHFFFAOYSA-N 0 0 277.255 1.965 20 5 CDBDRN CC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H](C)O ZINC000836860134 793317447 /nfs/dbraw/zinc/31/74/47/793317447.db2.gz VIGCQNAZQGLOAO-OIBJUYFYSA-N 0 0 267.285 1.066 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2ncncc2C1 ZINC000883029238 793328746 /nfs/dbraw/zinc/32/87/46/793328746.db2.gz LCYIZYSDUYDRBU-UHFFFAOYSA-N 0 0 298.302 1.512 20 5 CDBDRN C[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)N(C)C ZINC000743204949 793350574 /nfs/dbraw/zinc/35/05/74/793350574.db2.gz GPZYQRFAPJJSGQ-SSDOTTSWSA-N 0 0 284.243 1.367 20 5 CDBDRN Cc1c(Cn2cc3c(n2)CC[C@H](O)C3)cccc1[N+](=O)[O-] ZINC000883005141 793383914 /nfs/dbraw/zinc/38/39/14/793383914.db2.gz FVXUWSNCGAOSQB-ZDUSSCGKSA-N 0 0 287.319 1.998 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CNOC2)cc1Cl ZINC000848057042 793389536 /nfs/dbraw/zinc/38/95/36/793389536.db2.gz HQWRDILCUGBQCW-ZETCQYMHSA-N 0 0 286.671 1.617 20 5 CDBDRN O=C1CC2(CN1)CCN(c1ccnc(F)c1[N+](=O)[O-])CC2 ZINC000882041433 793415097 /nfs/dbraw/zinc/41/50/97/793415097.db2.gz SMGSXQSKUBHZKI-UHFFFAOYSA-N 0 0 294.286 1.235 20 5 CDBDRN CCN(CC)C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000857839522 793502964 /nfs/dbraw/zinc/50/29/64/793502964.db2.gz MHXYSEDMHWIWJE-SECBINFHSA-N 0 0 297.311 1.347 20 5 CDBDRN CC1CC(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000851461605 793543240 /nfs/dbraw/zinc/54/32/40/793543240.db2.gz JTSUNEJEOUWOQF-UHFFFAOYSA-N 0 0 253.258 1.381 20 5 CDBDRN CC(C)c1nnnn1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000788422318 793679433 /nfs/dbraw/zinc/67/94/33/793679433.db2.gz PNOWUFBDWZPISZ-NSHDSACASA-N 0 0 277.284 1.438 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(F)(F)C1 ZINC000801947181 793806727 /nfs/dbraw/zinc/80/67/27/793806727.db2.gz XVSKTDFWBDCZMO-UHFFFAOYSA-N 0 0 289.213 1.797 20 5 CDBDRN Cc1nn(C)c(C(=O)OCc2ccnc(C)c2)c1[N+](=O)[O-] ZINC000856928083 793812282 /nfs/dbraw/zinc/81/22/82/793812282.db2.gz FYPWXZCXANIKTE-UHFFFAOYSA-N 0 0 290.279 1.697 20 5 CDBDRN CON(C)C(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000858834343 793823764 /nfs/dbraw/zinc/82/37/64/793823764.db2.gz ULYKUMCKJCRBPP-QMMMGPOBSA-N 0 0 268.273 1.118 20 5 CDBDRN COCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000848172611 793832141 /nfs/dbraw/zinc/83/21/41/793832141.db2.gz LBZSYSOVPHIANB-UHFFFAOYSA-N 0 0 282.296 1.644 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@H](CCO)C(F)(F)F)c(F)c1 ZINC000884834524 793843870 /nfs/dbraw/zinc/84/38/70/793843870.db2.gz XZFOEOVDIAZTIY-SSDOTTSWSA-N 0 0 283.181 1.854 20 5 CDBDRN CC1=NO[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000828270171 793852516 /nfs/dbraw/zinc/85/25/16/793852516.db2.gz YKLUDJXODPUJHS-GFCCVEGCSA-N 0 0 275.264 1.649 20 5 CDBDRN C[C@H](NC(=O)N[C@@H]1COC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922646705 793862762 /nfs/dbraw/zinc/86/27/62/793862762.db2.gz XYICNCXQAUNPMU-GBIKHYSHSA-N 0 0 293.323 1.990 20 5 CDBDRN CC(C)[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])[NH+](C)C ZINC000837680495 793867900 /nfs/dbraw/zinc/86/79/00/793867900.db2.gz IOWKFGLXFQEGJE-CYBMUJFWSA-N 0 0 296.323 1.930 20 5 CDBDRN COC[C@H](OC)C(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000850910185 793875315 /nfs/dbraw/zinc/87/53/15/793875315.db2.gz CIIDXWCQGHDPFQ-NSHDSACASA-N 0 0 269.253 1.470 20 5 CDBDRN CC(=O)c1c(N[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000882640040 793892385 /nfs/dbraw/zinc/89/23/85/793892385.db2.gz VEODMFGGTGTJGY-KYZUINATSA-N 0 0 250.254 1.733 20 5 CDBDRN C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000228131746 793894914 /nfs/dbraw/zinc/89/49/14/793894914.db2.gz WIKBZCDOCVAEDG-RQJHMYQMSA-N 0 0 266.257 1.702 20 5 CDBDRN COc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1F ZINC000839731495 793900686 /nfs/dbraw/zinc/90/06/86/793900686.db2.gz RPMJHMYXAYOANI-VXNVDRBHSA-N 0 0 254.217 1.438 20 5 CDBDRN Cc1ccc(-c2noc([C@]3(O)CCOC3)n2)cc1[N+](=O)[O-] ZINC000842489061 794002743 /nfs/dbraw/zinc/00/27/43/794002743.db2.gz YMUWFRBBLVOMNY-ZDUSSCGKSA-N 0 0 291.263 1.561 20 5 CDBDRN CC(=O)OC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000157531026 794011353 /nfs/dbraw/zinc/01/13/53/794011353.db2.gz CAZQZLKPKPDBMU-UHFFFAOYSA-N 0 0 279.296 1.830 20 5 CDBDRN Cn1ccsc1=NC(=O)c1ccccc1[N+](=O)[O-] ZINC000255539227 794013748 /nfs/dbraw/zinc/01/37/48/794013748.db2.gz WHEUHVCRTIBHSM-UHFFFAOYSA-N 0 0 263.278 1.736 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(Cl)nc1 ZINC000194132230 794027431 /nfs/dbraw/zinc/02/74/31/794027431.db2.gz SHTCXZRSHAGSGB-UHFFFAOYSA-N 0 0 295.686 1.156 20 5 CDBDRN Nc1c(C(=O)O[C@@H]2CCOC2)cc(F)cc1[N+](=O)[O-] ZINC000837452488 794039032 /nfs/dbraw/zinc/03/90/32/794039032.db2.gz YAUXKHRSLOOUQF-SSDOTTSWSA-N 0 0 270.216 1.262 20 5 CDBDRN C[C@@H](O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000787592021 794045754 /nfs/dbraw/zinc/04/57/54/794045754.db2.gz OGVFGWOGZYVXHN-ZCFIWIBFSA-N 0 0 259.645 1.786 20 5 CDBDRN CC(C)(CO)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881987585 794046778 /nfs/dbraw/zinc/04/67/78/794046778.db2.gz WGRHUIGNAQLAMU-UHFFFAOYSA-N 0 0 298.318 1.022 20 5 CDBDRN C[C@@H]1C[C@@H](C(=O)OCc2cccnc2[N+](=O)[O-])[C@@H](C)O1 ZINC000884601983 794078300 /nfs/dbraw/zinc/07/83/00/794078300.db2.gz AOYQRSAXAGDDPX-FXPVBKGRSA-N 0 0 280.280 1.847 20 5 CDBDRN CN(Cc1ccon1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000706915575 794136267 /nfs/dbraw/zinc/13/62/67/794136267.db2.gz NWAUNZUVTWTWEW-UHFFFAOYSA-N 0 0 276.252 1.437 20 5 CDBDRN COc1ccc(OC(=O)C(C)(C)NC(C)=O)cc1[N+](=O)[O-] ZINC000792117200 794233702 /nfs/dbraw/zinc/23/37/02/794233702.db2.gz WXCPEUAHIJGOSW-UHFFFAOYSA-N 0 0 296.279 1.424 20 5 CDBDRN CON(C)C(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000863623027 794254832 /nfs/dbraw/zinc/25/48/32/794254832.db2.gz GILMZGNZQFVDIC-VIFPVBQESA-N 0 0 295.295 1.041 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)OCC1CCCCC1 ZINC000193143114 794273472 /nfs/dbraw/zinc/27/34/72/794273472.db2.gz ZYJHWTZRTJZKIP-UHFFFAOYSA-N 0 0 267.285 1.915 20 5 CDBDRN CCC(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865889071 794340628 /nfs/dbraw/zinc/34/06/28/794340628.db2.gz DEOFKRMVUFDXTG-UHFFFAOYSA-N 0 0 297.286 1.242 20 5 CDBDRN CC(=O)NCCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807915747 794342578 /nfs/dbraw/zinc/34/25/78/794342578.db2.gz BOSWXFKHHABOJL-UHFFFAOYSA-N 0 0 265.269 1.345 20 5 CDBDRN O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCCCN1 ZINC000935947685 794348188 /nfs/dbraw/zinc/34/81/88/794348188.db2.gz SFRXNLGGXKQDGY-STQMWFEESA-N 0 0 275.308 1.825 20 5 CDBDRN O=[N+]([O-])c1ncccc1CN1CCC(CCO)CC1 ZINC000886001551 794384611 /nfs/dbraw/zinc/38/46/11/794384611.db2.gz CLGUMZGYLHNRJS-UHFFFAOYSA-N 0 0 265.313 1.584 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NOC[C@@H]1CCOC1 ZINC000788118397 794385821 /nfs/dbraw/zinc/38/58/21/794385821.db2.gz ODQXINUHMLVCOF-SECBINFHSA-N 0 0 296.279 1.301 20 5 CDBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](C)O ZINC000836862869 794393783 /nfs/dbraw/zinc/39/37/83/794393783.db2.gz NNPSRMSGFAZVDL-CPCISQLKSA-N 0 0 267.285 1.066 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OCC1CCC1 ZINC000174523416 794442867 /nfs/dbraw/zinc/44/28/67/794442867.db2.gz GJFHKRCQKPUWKE-UHFFFAOYSA-N 0 0 253.258 1.525 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1CN1C(=O)COC1=O ZINC000882276221 794447855 /nfs/dbraw/zinc/44/78/55/794447855.db2.gz JJCAGDNPXOVZSG-UHFFFAOYSA-N 0 0 266.209 1.082 20 5 CDBDRN COC(=O)[C@@]1(O)CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000883000788 794450438 /nfs/dbraw/zinc/45/04/38/794450438.db2.gz LKPPAJJAZDOTGL-LLVKDONJSA-N 0 0 286.309 1.079 20 5 CDBDRN CCn1nccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000849189524 794453212 /nfs/dbraw/zinc/45/32/12/794453212.db2.gz 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/nfs/dbraw/zinc/78/66/08/202786608.db2.gz GATOAYRSALLFON-SECBINFHSA-N 0 0 254.290 1.260 20 5 CDBDRN CNC(=O)c1ccc(N2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000171608106 367058016 /nfs/dbraw/zinc/05/80/16/367058016.db2.gz FELQZYRWQVYYOJ-SECBINFHSA-N 0 0 295.364 1.896 20 5 CDBDRN CNc1nc(C(=O)N(C)[C@@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000456078987 252411330 /nfs/dbraw/zinc/41/13/30/252411330.db2.gz CBZZVTQDGBPZDW-QMMMGPOBSA-N 0 0 296.327 1.263 20 5 CDBDRN Cc1ccc(C(=O)N2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000351903867 370849725 /nfs/dbraw/zinc/84/97/25/370849725.db2.gz IUSQVJDCTKNNKZ-JOYOIKCWSA-N 0 0 264.281 1.356 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000416081241 241849293 /nfs/dbraw/zinc/84/92/93/241849293.db2.gz WBQSUAXWBYYVNH-AXFHLTTASA-N 0 0 294.355 1.993 20 5 CDBDRN COc1cccc(C(=O)N[C@@H](C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000456101065 252413006 /nfs/dbraw/zinc/41/30/06/252413006.db2.gz UIFAJGDLEMQAJW-VIFPVBQESA-N 0 0 296.323 1.883 20 5 CDBDRN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC12CC2 ZINC000416261066 241907947 /nfs/dbraw/zinc/90/79/47/241907947.db2.gz TZNCNPUNOLPJNN-JTQLQIEISA-N 0 0 275.308 1.923 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC12CC2 ZINC000416641171 242084359 /nfs/dbraw/zinc/08/43/59/242084359.db2.gz DBWJNGMBCHDZIL-SNVBAGLBSA-N 0 0 296.348 1.982 20 5 CDBDRN CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000387216262 367747729 /nfs/dbraw/zinc/74/77/29/367747729.db2.gz YZVSFTLADQHHSM-XVKPBYJWSA-N 0 0 270.260 1.623 20 5 CDBDRN CC[C@H](COC)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272513498 367747928 /nfs/dbraw/zinc/74/79/28/367747928.db2.gz YNYZAQOPJCIPNA-SECBINFHSA-N 0 0 296.279 1.478 20 5 CDBDRN CC[C@@](C)(CCO)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000272538189 367751131 /nfs/dbraw/zinc/75/11/31/367751131.db2.gz UTDONFYVQZRKQJ-ZDUSSCGKSA-N 0 0 298.343 1.157 20 5 CDBDRN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272555164 367763682 /nfs/dbraw/zinc/76/36/82/367763682.db2.gz HTOMUWDJNQPZEA-LLVKDONJSA-N 0 0 293.323 1.515 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H]1CC[C@H](C)C1 ZINC000272371573 367709930 /nfs/dbraw/zinc/70/99/30/367709930.db2.gz UTFJOUDQQZDLKY-WPRPVWTQSA-N 0 0 267.285 1.832 20 5 CDBDRN CC(=O)c1cc(N2CC(O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000367815520 370882611 /nfs/dbraw/zinc/88/26/11/370882611.db2.gz QKTLFIULRJWQLM-UHFFFAOYSA-N 0 0 276.292 1.759 20 5 CDBDRN COc1ccc(NC(=O)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000272764077 368078494 /nfs/dbraw/zinc/07/84/94/368078494.db2.gz AZHLJAIALXTDIZ-SSDOTTSWSA-N 0 0 269.257 1.106 20 5 CDBDRN COc1ccc(NC(=O)N2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000272775546 368155384 /nfs/dbraw/zinc/15/53/84/368155384.db2.gz CVWDXXNYPBOBJE-JTQLQIEISA-N 0 0 295.295 1.592 20 5 CDBDRN O=C([C@H]1CCCOC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000170789834 296113573 /nfs/dbraw/zinc/11/35/73/296113573.db2.gz CVRBFWRTGGDKLY-NSHDSACASA-N 0 0 276.292 1.911 20 5 CDBDRN CN(C[C@@H]1CCCO1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000170679454 368436935 /nfs/dbraw/zinc/43/69/35/368436935.db2.gz XLJLDGYKUOXXTD-JTQLQIEISA-N 0 0 264.281 1.846 20 5 CDBDRN Cn1c(C(=O)N2CCC(CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000330470743 202866064 /nfs/dbraw/zinc/86/60/64/202866064.db2.gz WUZUQVOECJSOCA-UHFFFAOYSA-N 0 0 294.311 1.711 20 5 CDBDRN NS(=O)(=O)c1ccc(NC[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000418982079 243490584 /nfs/dbraw/zinc/49/05/84/243490584.db2.gz ASGIYMLNHUAKSE-MRVPVSSYSA-N 0 0 297.336 1.454 20 5 CDBDRN CC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(C)C ZINC000330585173 203005000 /nfs/dbraw/zinc/00/50/00/203005000.db2.gz WROJKSZHPBIIAL-QMMMGPOBSA-N 0 0 254.290 1.493 20 5 CDBDRN COc1ccc(CNC(=O)NC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000276011694 193187953 /nfs/dbraw/zinc/18/79/53/193187953.db2.gz IXCUVOSTDHXHEP-VIFPVBQESA-N 0 0 297.311 1.438 20 5 CDBDRN CC(C)(C)[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330620893 203048533 /nfs/dbraw/zinc/04/85/33/203048533.db2.gz LEBNQHARIVXRON-SECBINFHSA-N 0 0 281.316 1.223 20 5 CDBDRN C[C@H](C[NH3+])CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420218926 243938579 /nfs/dbraw/zinc/93/85/79/243938579.db2.gz PYVASSMPHHWQQN-MRVPVSSYSA-N 0 0 277.284 1.073 20 5 CDBDRN CC(C)CN(C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420581945 244265169 /nfs/dbraw/zinc/26/51/69/244265169.db2.gz HSOLXKFAOCLTEO-UHFFFAOYSA-N 0 0 251.286 1.786 20 5 CDBDRN O=C(N[C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000194454219 284134536 /nfs/dbraw/zinc/13/45/36/284134536.db2.gz ZTBQCYHMXWFWDC-JTQLQIEISA-N 0 0 288.259 1.921 20 5 CDBDRN CC(C)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 ZINC000330773871 203217862 /nfs/dbraw/zinc/21/78/62/203217862.db2.gz XNZGGLKCMKTQKA-LBPRGKRZSA-N 0 0 293.323 1.674 20 5 CDBDRN NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC12CCOCC2 ZINC000420624749 244290733 /nfs/dbraw/zinc/29/07/33/244290733.db2.gz HSUOIKPVJOZZNX-LLVKDONJSA-N 0 0 291.307 1.675 20 5 CDBDRN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](CC)O1 ZINC000420639884 244304499 /nfs/dbraw/zinc/30/44/99/244304499.db2.gz 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1.733 20 5 CDBDRN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000183574518 140027772 /nfs/dbraw/zinc/02/77/72/140027772.db2.gz QMELKKLZTDYGQQ-MRVPVSSYSA-N 0 0 282.325 1.959 20 5 CDBDRN CCN(C)C(=O)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000187253748 140077677 /nfs/dbraw/zinc/07/76/77/140077677.db2.gz XJMRONHGXJPRPW-UHFFFAOYSA-N 0 0 279.296 1.111 20 5 CDBDRN CSc1cccc(C(=O)N(C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000188287055 140091061 /nfs/dbraw/zinc/09/10/61/140091061.db2.gz HJGYLDTUSUQMPK-QMMMGPOBSA-N 0 0 284.337 1.770 20 5 CDBDRN COc1cc(N2C[C@@H](C)O[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000230004989 140205713 /nfs/dbraw/zinc/20/57/13/140205713.db2.gz LLJYEUKZADRVBD-MWLCHTKSSA-N 0 0 282.296 1.189 20 5 CDBDRN O=C(NC[C@@H](O)C(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000230237591 140209322 /nfs/dbraw/zinc/20/93/22/140209322.db2.gz ULPGEFNOWJDBTG-MRVPVSSYSA-N 0 0 278.186 1.090 20 5 CDBDRN CNc1c(C(=O)N[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000231523798 140216143 /nfs/dbraw/zinc/21/61/43/140216143.db2.gz YRELDWVZMPOYAQ-QMMMGPOBSA-N 0 0 281.337 1.872 20 5 CDBDRN CCC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000231687419 140217538 /nfs/dbraw/zinc/21/75/38/140217538.db2.gz ABULQOYYFXKPPD-LBPRGKRZSA-N 0 0 269.301 1.214 20 5 CDBDRN CC[C@](C)(CCO)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000234084103 140227989 /nfs/dbraw/zinc/22/79/89/140227989.db2.gz QCRIIICNJKNJPR-CQSZACIVSA-N 0 0 296.323 1.884 20 5 CDBDRN CC[C@@H](C)[C@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000305076228 140537707 /nfs/dbraw/zinc/53/77/07/140537707.db2.gz QOPMNYLBXGCODX-ZWNOBZJWSA-N 0 0 280.324 1.661 20 5 CDBDRN O=C(NCCc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000342506896 140636988 /nfs/dbraw/zinc/63/69/88/140636988.db2.gz RQNHXHZBUJOIIL-UHFFFAOYSA-N 0 0 299.290 1.772 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]2[C@@H]2CCCO2)nc1 ZINC000286312166 296519751 /nfs/dbraw/zinc/51/97/51/296519751.db2.gz FGSGOGPMUMYFIA-MNOVXSKESA-N 0 0 264.285 1.533 20 5 CDBDRN CO[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000287971871 285775322 /nfs/dbraw/zinc/77/53/22/285775322.db2.gz ZSTYFUXMMAXNPV-TXEJJXNPSA-N 0 0 267.285 1.027 20 5 CDBDRN CC(C)OC(=O)CCNc1c([N+](=O)[O-])ncn1C ZINC000048560446 146841447 /nfs/dbraw/zinc/84/14/47/146841447.db2.gz CZAJKQDWIUHMRI-UHFFFAOYSA-N 0 0 256.262 1.082 20 5 CDBDRN C[C@@H](CO[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000133716209 397607477 /nfs/dbraw/zinc/60/74/77/397607477.db2.gz CJKMWWGDASPUGU-ONGXEEELSA-N 0 0 267.285 1.596 20 5 CDBDRN COCCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000092664206 147020899 /nfs/dbraw/zinc/02/08/99/147020899.db2.gz JWNKNQXZCGHLLL-UHFFFAOYSA-N 0 0 295.339 1.444 20 5 CDBDRN COc1cc(N2CC[C@H](C)[C@@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000092977968 147030307 /nfs/dbraw/zinc/03/03/07/147030307.db2.gz PDYQRDZIFISGCU-UFBFGSQYSA-N 0 0 284.287 1.950 20 5 CDBDRN Cc1ccnc(NCC(C)(C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000093524146 147057027 /nfs/dbraw/zinc/05/70/27/147057027.db2.gz CXKZHHDGSQLDKU-UHFFFAOYSA-N 0 0 287.341 1.533 20 5 CDBDRN Cc1ccnc(NCCc2ncn(C)n2)c1[N+](=O)[O-] ZINC000095015852 147106583 /nfs/dbraw/zinc/10/65/83/147106583.db2.gz IHBVILYMDWKNNJ-UHFFFAOYSA-N 0 0 262.273 1.081 20 5 CDBDRN C[S@](=O)CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000116942546 147281693 /nfs/dbraw/zinc/28/16/93/147281693.db2.gz IMJIYBCLAIBYHN-HXUWFJFHSA-N 0 0 299.352 1.163 20 5 CDBDRN O=C(COC[C@H]1CCOC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000117622308 147284946 /nfs/dbraw/zinc/28/49/46/147284946.db2.gz LIXLGOMBEMTIGS-LBPRGKRZSA-N 0 0 294.307 1.264 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN2CCO[C@H](c3ccco3)C2)c1 ZINC000121136958 147361253 /nfs/dbraw/zinc/36/12/53/147361253.db2.gz LMNDDHYNSYHPRD-ZDUSSCGKSA-N 0 0 292.295 1.458 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1ccccn1 ZINC000121840746 147386135 /nfs/dbraw/zinc/38/61/35/147386135.db2.gz DWEZNHYLOFOUAD-UHFFFAOYSA-N 0 0 289.266 1.988 20 5 CDBDRN CCc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n(C)n1 ZINC000184642534 148360354 /nfs/dbraw/zinc/36/03/54/148360354.db2.gz LMXNICOAVYOZOP-UHFFFAOYSA-N 0 0 290.283 1.120 20 5 CDBDRN O=c1ccc([N+](=O)[O-])cn1C[C@@H](O)CCc1ccccc1 ZINC000184720246 148367217 /nfs/dbraw/zinc/36/72/17/148367217.db2.gz VDFOSJSKCIUBDJ-AWEZNQCLSA-N 0 0 288.303 1.750 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CC[C@H](C)O2)c1=O ZINC000190628792 148452360 /nfs/dbraw/zinc/45/23/60/148452360.db2.gz GIAXOWKLAQZHOK-WPRPVWTQSA-N 0 0 296.279 1.111 20 5 CDBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC(=O)[O-] ZINC000262664517 149092777 /nfs/dbraw/zinc/09/27/77/149092777.db2.gz OUOAKRTXZJBGIY-VIFPVBQESA-N 0 0 295.295 1.328 20 5 CDBDRN Cc1cc(N2CCC[C@H]2CCO)ncc1[N+](=O)[O-] ZINC000310759642 149200814 /nfs/dbraw/zinc/20/08/14/149200814.db2.gz YEGUCRZTILJXRX-JTQLQIEISA-N 0 0 251.286 1.649 20 5 CDBDRN CC(C)Cc1ncc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000352522060 155248417 /nfs/dbraw/zinc/24/84/17/155248417.db2.gz DDNQSFWIZYWXLH-UHFFFAOYSA-N 0 0 290.283 1.559 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1C1CC1 ZINC000334750354 149876368 /nfs/dbraw/zinc/87/63/68/149876368.db2.gz ALGZQHDKYHSJNM-GFCCVEGCSA-N 0 0 295.364 1.901 20 5 CDBDRN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CS1 ZINC000335208874 150409556 /nfs/dbraw/zinc/40/95/56/150409556.db2.gz ASRSYRQWWRTLIE-HTQZYQBOSA-N 0 0 269.326 1.557 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2OC)n1 ZINC000352623194 155310811 /nfs/dbraw/zinc/31/08/11/155310811.db2.gz KWXGDRWDRZNOBB-MWLCHTKSSA-N 0 0 296.327 1.499 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CCO ZINC000336840109 151731078 /nfs/dbraw/zinc/73/10/78/151731078.db2.gz PMXQRPIRXCGZPO-LLVKDONJSA-N 0 0 279.296 1.974 20 5 CDBDRN O=C(Nc1cccc(-n2cccn2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000343136205 152046978 /nfs/dbraw/zinc/04/69/78/152046978.db2.gz KMYAHIIQPSPZJK-UHFFFAOYSA-N 0 0 298.262 1.756 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1C(F)F ZINC000343372305 152143684 /nfs/dbraw/zinc/14/36/84/152143684.db2.gz GBNKJGHSACUFNY-VIFPVBQESA-N 0 0 288.254 1.438 20 5 CDBDRN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343578119 152231297 /nfs/dbraw/zinc/23/12/97/152231297.db2.gz JJQLERPDHNJEHK-ZETCQYMHSA-N 0 0 298.299 1.168 20 5 CDBDRN C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000343689771 152266937 /nfs/dbraw/zinc/26/69/37/152266937.db2.gz BSMSEOMRJUUBOR-WRWORJQWSA-N 0 0 270.310 1.954 20 5 CDBDRN CCC[C@@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(N)=O ZINC000343913091 152349836 /nfs/dbraw/zinc/34/98/36/152349836.db2.gz NIFKHUJRLBLKRY-SNVBAGLBSA-N 0 0 294.311 1.020 20 5 CDBDRN NC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344304792 152487519 /nfs/dbraw/zinc/48/75/19/152487519.db2.gz GJLIABFLVAAODR-MRVPVSSYSA-N 0 0 295.270 1.071 20 5 CDBDRN CC1(C)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000344365154 152508092 /nfs/dbraw/zinc/50/80/92/152508092.db2.gz GOAZLAXEUCCYRI-NSHDSACASA-N 0 0 263.297 1.921 20 5 CDBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCOC1 ZINC000344963957 152698154 /nfs/dbraw/zinc/69/81/54/152698154.db2.gz HSFFDOPHNXSCMJ-MRVPVSSYSA-N 0 0 286.309 1.199 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)[C@@H]2CCOC2)cc1 ZINC000346416073 153177136 /nfs/dbraw/zinc/17/71/36/153177136.db2.gz BKQRUMQLUBCEHT-BXKDBHETSA-N 0 0 252.270 1.404 20 5 CDBDRN COc1ccc(CNC(=O)c2ccn(C)c2)cc1[N+](=O)[O-] ZINC000346609905 153243621 /nfs/dbraw/zinc/24/36/21/153243621.db2.gz QQGBCJUJXPUDOQ-UHFFFAOYSA-N 0 0 289.291 1.872 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(CCc2ccco2)no1 ZINC000346788190 153302106 /nfs/dbraw/zinc/30/21/06/153302106.db2.gz WDOQGOGGOKNKLO-UHFFFAOYSA-N 0 0 289.251 1.757 20 5 CDBDRN Cc1cc(C(=O)NC[C@H](O)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000347089843 153408207 /nfs/dbraw/zinc/40/82/07/153408207.db2.gz GIVLTKOEFCPGKE-GWCFXTLKSA-N 0 0 294.307 1.030 20 5 CDBDRN C[C@@]1(F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000347216067 153451609 /nfs/dbraw/zinc/45/16/09/153451609.db2.gz UUNVOARNTJQEJU-LLVKDONJSA-N 0 0 288.300 1.717 20 5 CDBDRN CC(C)[C@H](O)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347291869 153475439 /nfs/dbraw/zinc/47/54/39/153475439.db2.gz UMGJRUAHZVCLBD-LLVKDONJSA-N 0 0 285.275 1.872 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](O)[C@H](C)C2)n1 ZINC000167102703 292288843 /nfs/dbraw/zinc/28/88/43/292288843.db2.gz PNRIKGSIEXBSLG-KCJUWKMLSA-N 0 0 251.286 1.505 20 5 CDBDRN CO[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347996419 153742385 /nfs/dbraw/zinc/74/23/85/153742385.db2.gz XUORXJVOAVTZEE-CYBMUJFWSA-N 0 0 281.312 1.574 20 5 CDBDRN O=[N+]([O-])c1ccnn1Cc1csc(-c2ncccn2)n1 ZINC000348177042 153803588 /nfs/dbraw/zinc/80/35/88/153803588.db2.gz BRIHLTRFEHHDMY-UHFFFAOYSA-N 0 0 288.292 1.753 20 5 CDBDRN Cn1cc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000349038294 154036205 /nfs/dbraw/zinc/03/62/05/154036205.db2.gz BPGGTMDUJRVNPC-UHFFFAOYSA-N 0 0 281.293 1.302 20 5 CDBDRN C[C@@H](C(=O)NCc1c[nH]cn1)c1ccc([N+](=O)[O-])cc1F ZINC000349103889 154051675 /nfs/dbraw/zinc/05/16/75/154051675.db2.gz CIHQXHSACVHTNU-MRVPVSSYSA-N 0 0 292.270 1.877 20 5 CDBDRN C[C@@H]1C[C@@H](O)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000349460112 154119782 /nfs/dbraw/zinc/11/97/82/154119782.db2.gz GOODNLOJQKVWRJ-LDYMZIIASA-N 0 0 265.269 1.582 20 5 CDBDRN Cn1ccc(NCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000349767071 154210025 /nfs/dbraw/zinc/21/00/25/154210025.db2.gz HIZHZECTIUWBCI-UHFFFAOYSA-N 0 0 268.223 1.641 20 5 CDBDRN Cn1ncnc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349916446 154270946 /nfs/dbraw/zinc/27/09/46/154270946.db2.gz RYFAUPOEGRQNOS-UHFFFAOYSA-N 0 0 269.648 1.351 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC2CCC1CC2 ZINC000351683185 154648826 /nfs/dbraw/zinc/64/88/26/154648826.db2.gz OBYFXMXFGBVNKR-RTBKNWGFSA-N 0 0 278.312 1.637 20 5 CDBDRN NC(=O)c1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000352185126 155005918 /nfs/dbraw/zinc/00/59/18/155005918.db2.gz ZYHMAIVUANXAKK-UHFFFAOYSA-N 0 0 293.210 1.678 20 5 CDBDRN Cn1cnc(=O)n1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352213396 155027695 /nfs/dbraw/zinc/02/76/95/155027695.db2.gz HIDDRJPKSWKUDI-UHFFFAOYSA-N 0 0 268.660 1.192 20 5 CDBDRN COCCOC1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000353123611 155665416 /nfs/dbraw/zinc/66/54/16/155665416.db2.gz ADHUPMUWGBNPCY-UHFFFAOYSA-N 0 0 294.307 1.391 20 5 CDBDRN C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000353580965 155951880 /nfs/dbraw/zinc/95/18/80/155951880.db2.gz VRQLSJPZMMSSOA-CYBMUJFWSA-N 0 0 264.281 1.751 20 5 CDBDRN Cc1noc(C)c1CC(=O)Nc1c([N+](=O)[O-])cnn1C ZINC000354397788 156429579 /nfs/dbraw/zinc/42/95/79/156429579.db2.gz YBHBWCLHAARZOC-UHFFFAOYSA-N 0 0 279.256 1.114 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCCc1nccs1 ZINC000354485410 156477961 /nfs/dbraw/zinc/47/79/61/156477961.db2.gz CTUOHXRXIUXHBP-UHFFFAOYSA-N 0 0 292.320 1.606 20 5 CDBDRN COC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000355051071 156810514 /nfs/dbraw/zinc/81/05/14/156810514.db2.gz IORUAZQTYADRJJ-SMYYYNMVSA-N 0 0 294.307 1.386 20 5 CDBDRN COC1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000355482713 157075453 /nfs/dbraw/zinc/07/54/53/157075453.db2.gz WLPMIZKGTXYYGZ-UHFFFAOYSA-N 0 0 296.327 1.643 20 5 CDBDRN C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356283594 157426462 /nfs/dbraw/zinc/42/64/62/157426462.db2.gz IBZFMIGRMWUPPQ-NXEZZACHSA-N 0 0 281.312 1.336 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1cncc(F)c1 ZINC000356728541 157552113 /nfs/dbraw/zinc/55/21/13/157552113.db2.gz FJYVJVNRRCEUOR-SSDOTTSWSA-N 0 0 293.258 1.353 20 5 CDBDRN O=[N+]([O-])c1cc(F)cc(Oc2nccn3cnnc23)c1 ZINC000356782827 157569668 /nfs/dbraw/zinc/56/96/68/157569668.db2.gz STGBJTZAEIZJNB-UHFFFAOYSA-N 0 0 275.199 1.964 20 5 CDBDRN O=C(NCc1ccc2cc[nH]c2n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357388151 157740195 /nfs/dbraw/zinc/74/01/95/157740195.db2.gz BYXDOJVBBYJODP-UHFFFAOYSA-N 0 0 285.263 1.729 20 5 CDBDRN CO[C@H]1CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357468665 157754656 /nfs/dbraw/zinc/75/46/56/157754656.db2.gz IJQYCRFZRANSTL-WPRPVWTQSA-N 0 0 294.311 1.316 20 5 CDBDRN CS(=O)(=O)c1cccc(N2CC(F)C2)c1[N+](=O)[O-] ZINC000343483962 286641240 /nfs/dbraw/zinc/64/12/40/286641240.db2.gz 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CC1CC(CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000598778469 343904669 /nfs/dbraw/zinc/90/46/69/343904669.db2.gz REOJYVBUEKVPJZ-UHFFFAOYSA-N 0 0 251.286 1.709 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000598783030 343905861 /nfs/dbraw/zinc/90/58/61/343905861.db2.gz CMDPCCULZCIRIC-ZJUUUORDSA-N 0 0 296.298 1.824 20 5 CDBDRN Cc1c(NC(=O)[C@@H](C)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000598957784 343929374 /nfs/dbraw/zinc/92/93/74/343929374.db2.gz CLCXEDFXMDXKQG-GXSJLCMTSA-N 0 0 291.307 1.756 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCOC[C@H]2O)c(F)c1 ZINC000599176875 343971199 /nfs/dbraw/zinc/97/11/99/343971199.db2.gz NQTRUCYTAIBSOH-NXEZZACHSA-N 0 0 274.223 1.435 20 5 CDBDRN O=c1[nH]ccc(NCc2cc3n(n2)CCCO3)c1[N+](=O)[O-] ZINC000599106073 343955024 /nfs/dbraw/zinc/95/50/24/343955024.db2.gz IMDUMAPAGPYBOG-UHFFFAOYSA-N 0 0 291.267 1.287 20 5 CDBDRN CN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)C1=O ZINC000599136369 343958941 /nfs/dbraw/zinc/95/89/41/343958941.db2.gz NKOGUDIBIZKRCS-QMMMGPOBSA-N 0 0 282.275 1.349 20 5 CDBDRN COC1CC(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599117989 343962243 /nfs/dbraw/zinc/96/22/43/343962243.db2.gz FMLQSTBXCYCAHB-UHFFFAOYSA-N 0 0 264.281 1.636 20 5 CDBDRN Cc1nocc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000599154484 343968999 /nfs/dbraw/zinc/96/89/99/343968999.db2.gz ZUZIZJFXHKZBSM-UHFFFAOYSA-N 0 0 290.239 1.650 20 5 CDBDRN CC[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 ZINC000515500757 362321992 /nfs/dbraw/zinc/32/19/92/362321992.db2.gz UYTOQJRDVGGTJC-VIFPVBQESA-N 0 0 294.311 1.043 20 5 CDBDRN O=[N+]([O-])c1cccc(OCC2CCS(=O)(=O)CC2)c1 ZINC000270376346 190664135 /nfs/dbraw/zinc/66/41/35/190664135.db2.gz AQQQSGARCOZXNZ-UHFFFAOYSA-N 0 0 285.321 1.798 20 5 CDBDRN CC/C=C/CCn1cc([N+](=O)[O-])c(C(=O)OC)n1 ZINC000601918171 344279757 /nfs/dbraw/zinc/27/97/57/344279757.db2.gz QTPRMIFOEUDVOO-SNAWJCMRSA-N 0 0 253.258 1.934 20 5 CDBDRN Cc1nc(CSCCn2c(C)ncc2[N+](=O)[O-])no1 ZINC000601916383 344280001 /nfs/dbraw/zinc/28/00/01/344280001.db2.gz HWYMIXMTPMENIA-UHFFFAOYSA-N 0 0 283.313 1.725 20 5 CDBDRN Cc1c([N+](=O)[O-])cccc1N1NC(=O)CSCC1=O ZINC000601939564 344287413 /nfs/dbraw/zinc/28/74/13/344287413.db2.gz MHXNURCRVFSTNK-UHFFFAOYSA-N 0 0 281.293 1.014 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCCn1cccn1 ZINC000194486395 362395635 /nfs/dbraw/zinc/39/56/35/362395635.db2.gz QCENJSLKTNZCDZ-UHFFFAOYSA-N 0 0 274.280 1.530 20 5 CDBDRN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CO1 ZINC000402109509 344515127 /nfs/dbraw/zinc/51/51/27/344515127.db2.gz ZOKAGLFDNGOUOG-HTRCEHHLSA-N 0 0 283.259 1.223 20 5 CDBDRN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CO1 ZINC000402109511 344515717 /nfs/dbraw/zinc/51/57/17/344515717.db2.gz ZOKAGLFDNGOUOG-POYBYMJQSA-N 0 0 283.259 1.223 20 5 CDBDRN CC(=O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602795677 344586350 /nfs/dbraw/zinc/58/63/50/344586350.db2.gz UTJKQQVGDZOFHY-SNVBAGLBSA-N 0 0 264.285 1.065 20 5 CDBDRN C[C@@H]1[C@H](C)[S@](=O)CCN1c1ncccc1[N+](=O)[O-] ZINC000265618209 362463982 /nfs/dbraw/zinc/46/39/82/362463982.db2.gz MPAVBRKLKUDDRP-SNFQMMDSSA-N 0 0 269.326 1.336 20 5 CDBDRN CO[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000602901204 344654509 /nfs/dbraw/zinc/65/45/09/344654509.db2.gz ZUQJECKUQDMUCS-GFCCVEGCSA-N 0 0 268.269 1.105 20 5 CDBDRN CCC1(C)CN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602961582 344667880 /nfs/dbraw/zinc/66/78/80/344667880.db2.gz VZHHUJWAPKQJGB-UHFFFAOYSA-N 0 0 278.312 1.984 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H](C)C[C@H]1C ZINC000602958905 344673652 /nfs/dbraw/zinc/67/36/52/344673652.db2.gz QVRSJIWXYRHCJS-WCBMZHEXSA-N 0 0 278.312 1.982 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC1CC1 ZINC000602959668 344673660 /nfs/dbraw/zinc/67/36/60/344673660.db2.gz ZUUPSNQAXNGZBF-UHFFFAOYSA-N 0 0 264.285 1.594 20 5 CDBDRN COCC1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000603149128 344713778 /nfs/dbraw/zinc/71/37/78/344713778.db2.gz TZDNDXWPCKUUAF-UHFFFAOYSA-N 0 0 284.699 1.967 20 5 CDBDRN Cc1nn(CCn2ccnc2)c2ncc([N+](=O)[O-])cc12 ZINC000603324317 344775718 /nfs/dbraw/zinc/77/57/18/344775718.db2.gz FHURITFDTCJUKL-UHFFFAOYSA-N 0 0 272.268 1.545 20 5 CDBDRN Cc1nn(CCCC(=O)N(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000603329969 344776773 /nfs/dbraw/zinc/77/67/73/344776773.db2.gz ZSXLDIYMYREGOO-UHFFFAOYSA-N 0 0 291.311 1.516 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(CCc2csc(C)n2)c1=O ZINC000603359679 344783081 /nfs/dbraw/zinc/78/30/81/344783081.db2.gz RUKZRXHQSUPYCA-UHFFFAOYSA-N 0 0 295.320 1.773 20 5 CDBDRN O=[N+]([O-])c1ccsc1N1CCN(c2nc[nH]n2)CC1 ZINC000603403713 344790847 /nfs/dbraw/zinc/79/08/47/344790847.db2.gz UIHLTSWSIKAVSX-UHFFFAOYSA-N 0 0 280.313 1.101 20 5 CDBDRN Cc1ccc(CCNC(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000604383587 344886515 /nfs/dbraw/zinc/88/65/15/344886515.db2.gz YTWSKXBHZMEITJ-UHFFFAOYSA-N 0 0 292.295 1.511 20 5 CDBDRN COc1cc(NCC2(O)CCOCC2)c([N+](=O)[O-])cc1C ZINC000314508442 344912095 /nfs/dbraw/zinc/91/20/95/344912095.db2.gz 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/nfs/dbraw/zinc/97/43/92/344974392.db2.gz ZEZNBLWEVACYAF-UHFFFAOYSA-N 0 0 267.285 1.332 20 5 CDBDRN CCNC(=O)c1cc(C(=O)NCC)cc([N+](=O)[O-])c1 ZINC000005709023 344945942 /nfs/dbraw/zinc/94/59/42/344945942.db2.gz SURUBICVYBXGJT-UHFFFAOYSA-N 0 0 265.269 1.094 20 5 CDBDRN Cc1cccc(C(=O)N(C)Cc2nccn2C)c1[N+](=O)[O-] ZINC000041834959 344947229 /nfs/dbraw/zinc/94/72/29/344947229.db2.gz SEGBXKLPDZAKQV-UHFFFAOYSA-N 0 0 288.307 1.909 20 5 CDBDRN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000295090591 199340110 /nfs/dbraw/zinc/34/01/10/199340110.db2.gz FHUFYASEUQNNJS-UHFFFAOYSA-N 0 0 261.285 1.318 20 5 CDBDRN CC(C)NC(=O)[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000412855312 362500394 /nfs/dbraw/zinc/50/03/94/362500394.db2.gz LNYNWOADBKVNNJ-ZETCQYMHSA-N 0 0 285.325 1.299 20 5 CDBDRN CCC[C@@H](C)C(=O)NCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000292763376 362503209 /nfs/dbraw/zinc/50/32/09/362503209.db2.gz OKTJADXYYZAJHR-SECBINFHSA-N 0 0 297.359 1.601 20 5 CDBDRN Cc1nccnc1CCNc1ncc([N+](=O)[O-])cn1 ZINC000292756763 362503261 /nfs/dbraw/zinc/50/32/61/362503261.db2.gz KBLQJRFDXIBTQP-UHFFFAOYSA-N 0 0 260.257 1.138 20 5 CDBDRN CS[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000295091892 199341504 /nfs/dbraw/zinc/34/15/04/199341504.db2.gz ZHMVMPRGARVDAL-QMMMGPOBSA-N 0 0 256.331 1.578 20 5 CDBDRN Cc1cccc(C(=O)N(C)C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000150880179 345073010 /nfs/dbraw/zinc/07/30/10/345073010.db2.gz HRXOTQHTSSVAIK-GFCCVEGCSA-N 0 0 278.308 1.746 20 5 CDBDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000265661232 362553514 /nfs/dbraw/zinc/55/35/14/362553514.db2.gz XISONOUARIXODF-FDMGOTLNSA-N 0 0 282.365 1.936 20 5 CDBDRN CCOC(=O)C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(C)=O ZINC000344142977 362544713 /nfs/dbraw/zinc/54/47/13/362544713.db2.gz RYOFCDNNBXYOEQ-SNVBAGLBSA-N 0 0 298.320 1.993 20 5 CDBDRN CC(C)(C(=O)Nc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000273937438 192370060 /nfs/dbraw/zinc/37/00/60/192370060.db2.gz JJXPOVLRWNNDOS-UHFFFAOYSA-N 0 0 294.246 1.163 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(C)on1 ZINC000617282354 345122344 /nfs/dbraw/zinc/12/23/44/345122344.db2.gz MYQXJHUHCUBZRC-UHFFFAOYSA-N 0 0 291.263 1.830 20 5 CDBDRN CO[C@H](C)CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000344230473 362559218 /nfs/dbraw/zinc/55/92/18/362559218.db2.gz JFOANSXTUXJYNS-SECBINFHSA-N 0 0 284.316 1.020 20 5 CDBDRN C[C@@H](O)CCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072713182 345355924 /nfs/dbraw/zinc/35/59/24/345355924.db2.gz YAPAFGFPYPXLMN-LLVKDONJSA-N 0 0 295.339 1.260 20 5 CDBDRN C[C@@H](Nc1ccn(C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000073370237 345445142 /nfs/dbraw/zinc/44/51/42/345445142.db2.gz KSLLDPRXVXRUBT-SECBINFHSA-N 0 0 289.295 1.767 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC(C)(C)O1 ZINC000140314080 345577831 /nfs/dbraw/zinc/57/78/31/345577831.db2.gz DSPPRKLPHVKZHD-QMMMGPOBSA-N 0 0 267.285 1.562 20 5 CDBDRN CC(=O)N1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000048999728 345592518 /nfs/dbraw/zinc/59/25/18/345592518.db2.gz VPIGAQCGYHXMED-UHFFFAOYSA-N 0 0 298.368 1.232 20 5 CDBDRN COC(=O)CCCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000201651040 345592527 /nfs/dbraw/zinc/59/25/27/345592527.db2.gz OYATUSGEFNFEIY-UHFFFAOYSA-N 0 0 254.242 1.100 20 5 CDBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)CC[S@@]1=O ZINC000617483749 345587503 /nfs/dbraw/zinc/58/75/03/345587503.db2.gz XCVJHJVWDSELPJ-LZVRBXCZSA-N 0 0 269.326 1.337 20 5 CDBDRN CCOC(=O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265804705 362613900 /nfs/dbraw/zinc/61/39/00/362613900.db2.gz OCIFUHAPKZKWGJ-UHFFFAOYSA-N 0 0 294.307 1.552 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCOC2(CCCC2)C1 ZINC000151093801 362622702 /nfs/dbraw/zinc/62/27/02/362622702.db2.gz LUZJCKIUUNLCCM-UHFFFAOYSA-N 0 0 280.280 1.973 20 5 CDBDRN C[S@](=O)c1nncn1-c1ccc([N+](=O)[O-])cc1F ZINC000074259282 345668829 /nfs/dbraw/zinc/66/88/29/345668829.db2.gz HZTUZUFZXIFEDJ-GOSISDBHSA-N 0 0 270.245 1.052 20 5 CDBDRN CCNC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000047242600 345739205 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C[NH+](C)CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000356289274 375831412 /nfs/dbraw/zinc/83/14/12/375831412.db2.gz ALOGXEPUVOGVGJ-UHFFFAOYSA-N 0 0 293.323 1.467 20 5 CDBDRN COCCOC[C@H](O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000296350751 375841939 /nfs/dbraw/zinc/84/19/39/375841939.db2.gz UUJJQHMSBRDYMR-NSHDSACASA-N 0 0 285.296 1.306 20 5 CDBDRN CC(=O)N[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000048564728 375882210 /nfs/dbraw/zinc/88/22/10/375882210.db2.gz ZSKGYAHWTCVQRI-NSHDSACASA-N 0 0 281.287 1.839 20 5 CDBDRN CC(=O)N[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048577134 375882217 /nfs/dbraw/zinc/88/22/17/375882217.db2.gz FCFFOIIBPQCNHJ-CYBMUJFWSA-N 0 0 277.324 1.695 20 5 CDBDRN CC/C=C(/C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164405293 375884007 /nfs/dbraw/zinc/88/40/07/375884007.db2.gz QTGXKAGYGPNOJA-WTKPLQERSA-N 0 0 252.274 1.264 20 5 CDBDRN C[C@@H](O)CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000134028659 375889706 /nfs/dbraw/zinc/88/97/06/375889706.db2.gz YPIWQRCXXKYFQQ-RXMQYKEDSA-N 0 0 264.079 1.325 20 5 CDBDRN Cc1nccn1CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357284451 375894122 /nfs/dbraw/zinc/89/41/22/375894122.db2.gz ROACRWQQIGPYEF-UHFFFAOYSA-N 0 0 291.311 1.638 20 5 CDBDRN O=C(NCC(F)(F)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000356921869 375867999 /nfs/dbraw/zinc/86/79/99/375867999.db2.gz BDTWGOPSWRLBEV-UHFFFAOYSA-N 0 0 296.233 1.840 20 5 CDBDRN O=C(NCc1ncc[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358114360 375952536 /nfs/dbraw/zinc/95/25/36/375952536.db2.gz BNLYTBBWYKYFLK-UHFFFAOYSA-N 0 0 286.247 1.994 20 5 CDBDRN COCCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000134301694 375952548 /nfs/dbraw/zinc/95/25/48/375952548.db2.gz BNUCWJOZQHODMX-UHFFFAOYSA-N 0 0 283.284 1.067 20 5 CDBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)C1 ZINC000269871611 376014667 /nfs/dbraw/zinc/01/46/67/376014667.db2.gz MXTYKASLAKHKQL-DTWKUNHWSA-N 0 0 265.317 1.839 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CCCO)C1 ZINC000457143475 252474458 /nfs/dbraw/zinc/47/44/58/252474458.db2.gz ILVWTZWCKVETOF-CYBMUJFWSA-N 0 0 292.335 1.758 20 5 CDBDRN CC(C)[C@H](O)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347425616 376129031 /nfs/dbraw/zinc/12/90/31/376129031.db2.gz FAWYUIPSPSQQHH-LLVKDONJSA-N 0 0 276.296 1.389 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccnc1 ZINC000065722388 376305442 /nfs/dbraw/zinc/30/54/42/376305442.db2.gz YHRAQEDBQBBOND-UHFFFAOYSA-N 0 0 261.241 1.133 20 5 CDBDRN Cn1c(C(=O)Nc2ccc3nncn3c2)ccc1[N+](=O)[O-] ZINC000347540161 376366594 /nfs/dbraw/zinc/36/65/94/376366594.db2.gz MQEOXONBVSAAGR-UHFFFAOYSA-N 0 0 286.251 1.228 20 5 CDBDRN C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000171262253 376506362 /nfs/dbraw/zinc/50/63/62/376506362.db2.gz JLUWNLZVQULAMT-NSHDSACASA-N 0 0 294.307 1.611 20 5 CDBDRN CN(CCCS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000171376905 376557921 /nfs/dbraw/zinc/55/79/21/376557921.db2.gz NKSFUPFIEZWQJR-UHFFFAOYSA-N 0 0 286.353 1.461 20 5 CDBDRN O=C1CNC(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000432013568 247855587 /nfs/dbraw/zinc/85/55/87/247855587.db2.gz RMNFBBLNCMPZIT-UHFFFAOYSA-N 0 0 269.644 1.300 20 5 CDBDRN Cc1nc(Sc2nnnn2C2CC2)ncc1[N+](=O)[O-] ZINC000296595201 376565419 /nfs/dbraw/zinc/56/54/19/376565419.db2.gz SIVZGYUFCUCESI-UHFFFAOYSA-N 0 0 279.285 1.166 20 5 CDBDRN CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000431901944 247845509 /nfs/dbraw/zinc/84/55/09/247845509.db2.gz NCDOIMAUTJRJFJ-PWSUYJOCSA-N 0 0 280.324 1.960 20 5 CDBDRN COC(=O)c1cnc(S[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000487050804 376584024 /nfs/dbraw/zinc/58/40/24/376584024.db2.gz VVNJXSZPBKVUGO-MRVPVSSYSA-N 0 0 284.293 1.657 20 5 CDBDRN Cc1cc(N2CC[C@@H]([C@H](C)O)C2)ncc1[N+](=O)[O-] ZINC000228159235 376611024 /nfs/dbraw/zinc/61/10/24/376611024.db2.gz BVLXHSFGQLAQEJ-VHSXEESVSA-N 0 0 251.286 1.505 20 5 CDBDRN COCCC1(NC(=O)c2cc([N+](=O)[O-])nn2C)CCC1 ZINC000357759669 376671539 /nfs/dbraw/zinc/67/15/39/376671539.db2.gz SNWHRHXJPXVOAC-UHFFFAOYSA-N 0 0 282.300 1.017 20 5 CDBDRN C[C@H](CC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000457191994 252477617 /nfs/dbraw/zinc/47/76/17/252477617.db2.gz KLZASXUHGXHFNF-SSDOTTSWSA-N 0 0 254.290 1.872 20 5 CDBDRN CCOC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000433346193 248025225 /nfs/dbraw/zinc/02/52/25/248025225.db2.gz CJTXUUBWOOOAFH-QMMMGPOBSA-N 0 0 288.325 1.092 20 5 CDBDRN Cn1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000171665507 376914946 /nfs/dbraw/zinc/91/49/46/376914946.db2.gz VPPQYRKMRFGJFX-UHFFFAOYSA-N 0 0 275.268 1.650 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(NCc3cccnc3)c21 ZINC000357324009 376970725 /nfs/dbraw/zinc/97/07/25/376970725.db2.gz NYRWQHGWHMAFMI-UHFFFAOYSA-N 0 0 281.275 1.967 20 5 CDBDRN Cc1nc(CCNC(=O)c2ccc([N+](=O)[O-])n2C)cs1 ZINC000345153495 377259702 /nfs/dbraw/zinc/25/97/02/377259702.db2.gz XFISZXCSLGJRAC-UHFFFAOYSA-N 0 0 294.336 1.671 20 5 CDBDRN CCC[C@H](OC)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294302903 377404358 /nfs/dbraw/zinc/40/43/58/377404358.db2.gz GMUMKGSGPPLGAG-ZDUSSCGKSA-N 0 0 295.339 1.938 20 5 CDBDRN COC(=O)N1CC(Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000269895172 377492228 /nfs/dbraw/zinc/49/22/28/377492228.db2.gz DIWCIAFLMXDMRB-UHFFFAOYSA-N 0 0 265.269 1.766 20 5 CDBDRN C[C@H]1CC(NC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000172474128 377559738 /nfs/dbraw/zinc/55/97/38/377559738.db2.gz UIJWBTHLBCEZIO-ZACCUICWSA-N 0 0 280.328 1.732 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CO ZINC000172473964 377560064 /nfs/dbraw/zinc/56/00/64/377560064.db2.gz KXXVUCKEZCKGAG-GFCCVEGCSA-N 0 0 279.296 1.261 20 5 CDBDRN Cc1cc(Nc2cnn(CC(N)=O)c2)ccc1[N+](=O)[O-] ZINC000345222429 377607131 /nfs/dbraw/zinc/60/71/31/377607131.db2.gz RQVPYMYLHLBPKA-UHFFFAOYSA-N 0 0 275.268 1.329 20 5 CDBDRN C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cn1ccnc1 ZINC000172621950 377655851 /nfs/dbraw/zinc/65/58/51/377655851.db2.gz JWOGHGTWBRGTBO-VIFPVBQESA-N 0 0 294.336 1.919 20 5 CDBDRN CC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000437087891 249498714 /nfs/dbraw/zinc/49/87/14/249498714.db2.gz KTQBEZGDPGUJNN-RDDDGLTNSA-N 0 0 295.270 1.587 20 5 CDBDRN COC[C@@H](C)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172828171 377775904 /nfs/dbraw/zinc/77/59/04/377775904.db2.gz JKOAZGHKRSZCGC-SNVBAGLBSA-N 0 0 266.297 1.631 20 5 CDBDRN C[C@@H](O)C[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000269967055 377827037 /nfs/dbraw/zinc/82/70/37/377827037.db2.gz ZANXEVHLSMBYDW-DGCLKSJQSA-N 0 0 292.335 1.899 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)[C@@H]1CCOC1 ZINC000270062482 377842014 /nfs/dbraw/zinc/84/20/14/377842014.db2.gz HVVASYIDGSNCSK-SNVBAGLBSA-N 0 0 287.293 1.401 20 5 CDBDRN CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000129569027 377928150 /nfs/dbraw/zinc/92/81/50/377928150.db2.gz PUZURROEFIWPGO-YUMQZZPRSA-N 0 0 270.310 1.546 20 5 CDBDRN O=[N+]([O-])c1ccc(Cn2ncc3c2C[C@H](O)CC3)cc1 ZINC000438909374 249636634 /nfs/dbraw/zinc/63/66/34/249636634.db2.gz CSFBAKHACMOUJN-CYBMUJFWSA-N 0 0 273.292 1.689 20 5 CDBDRN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000191439062 378064128 /nfs/dbraw/zinc/06/41/28/378064128.db2.gz HLJDFAWVNFUZPN-GXSJLCMTSA-N 0 0 294.311 1.339 20 5 CDBDRN O=[N+]([O-])c1ccc(CCCCNS(=O)(=O)C2CC2)cc1 ZINC000173196787 378068934 /nfs/dbraw/zinc/06/89/34/378068934.db2.gz KIBBUCDHHZXFMH-UHFFFAOYSA-N 0 0 298.364 1.999 20 5 CDBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC(F)C1 ZINC000345362542 378224977 /nfs/dbraw/zinc/22/49/77/378224977.db2.gz GADNMJXIFHHSND-UHFFFAOYSA-N 0 0 267.260 1.501 20 5 CDBDRN CCc1ccc(C(=O)N[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000173454128 378430047 /nfs/dbraw/zinc/43/00/47/378430047.db2.gz MBFXYNKGTWHPQI-NSHDSACASA-N 0 0 291.307 1.118 20 5 CDBDRN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000151436522 378480394 /nfs/dbraw/zinc/48/03/94/378480394.db2.gz IRMFOKXYVHPNPV-LBPRGKRZSA-N 0 0 282.271 1.889 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@@H](C)O ZINC000173562455 378620080 /nfs/dbraw/zinc/62/00/80/378620080.db2.gz HKYPCTDOHOSZMO-LLVKDONJSA-N 0 0 295.339 1.544 20 5 CDBDRN CC1(CCCCn2ccc(=O)c([N+](=O)[O-])c2)OCCO1 ZINC000278486872 194006585 /nfs/dbraw/zinc/00/65/85/194006585.db2.gz APUDGDOMVNNCPN-UHFFFAOYSA-N 0 0 282.296 1.690 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN(CCO)c1ccccc1 ZINC000444268432 250113263 /nfs/dbraw/zinc/11/32/63/250113263.db2.gz JRTUGXHVISUARM-UHFFFAOYSA-N 0 0 276.296 1.327 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000444306237 250120578 /nfs/dbraw/zinc/12/05/78/250120578.db2.gz VXKIMDIVQRZSJO-ZANVPECISA-N 0 0 296.327 1.161 20 5 CDBDRN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000444410308 250133856 /nfs/dbraw/zinc/13/38/56/250133856.db2.gz HYSMHACGHYHGGS-UHFFFAOYSA-N 0 0 287.275 1.928 20 5 CDBDRN C[C@H]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000444471436 250138590 /nfs/dbraw/zinc/13/85/90/250138590.db2.gz AUTDIEZWABXDCA-JGVFFNPUSA-N 0 0 252.274 1.247 20 5 CDBDRN CN(Cc1ncnn1CC(F)F)c1ncccc1[N+](=O)[O-] ZINC000278701775 194110752 /nfs/dbraw/zinc/11/07/52/194110752.db2.gz FWJLKGSTZUOKGA-UHFFFAOYSA-N 0 0 298.253 1.483 20 5 CDBDRN Cc1ncc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)s1 ZINC000445140934 250208769 /nfs/dbraw/zinc/20/87/69/250208769.db2.gz FHVANDULBSRJCX-UHFFFAOYSA-N 0 0 280.265 1.713 20 5 CDBDRN CN(CCN1CCOC(C)(C)C1)c1ncccc1[N+](=O)[O-] ZINC000278822923 194170483 /nfs/dbraw/zinc/17/04/83/194170483.db2.gz JIQKAAVNOCPJIP-UHFFFAOYSA-N 0 0 294.355 1.537 20 5 CDBDRN O=C(CC1CC1)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000447284738 250354117 /nfs/dbraw/zinc/35/41/17/250354117.db2.gz KVVBBHNRQNYAGT-UHFFFAOYSA-N 0 0 287.275 1.674 20 5 CDBDRN O=[N+]([O-])c1ccc(CNc2nc3ccccn3n2)c(F)c1 ZINC000446972745 250329206 /nfs/dbraw/zinc/32/92/06/250329206.db2.gz NWRXOGSWFKZYST-UHFFFAOYSA-N 0 0 287.254 1.811 20 5 CDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCn2c3ccccc3nc21 ZINC000134528023 284767405 /nfs/dbraw/zinc/76/74/05/284767405.db2.gz GZEIVHJHUXTABR-UHFFFAOYSA-N 0 0 298.262 1.328 20 5 CDBDRN CCOC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000458065346 252531868 /nfs/dbraw/zinc/53/18/68/252531868.db2.gz HDWMPOXEHXQFBH-LLVKDONJSA-N 0 0 295.339 1.965 20 5 CDBDRN Cc1cc(C(=O)N2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280103493 291732028 /nfs/dbraw/zinc/73/20/28/291732028.db2.gz PNCHTWAURFAWFC-AWEZNQCLSA-N 0 0 291.307 1.241 20 5 CDBDRN CC(C)C[C@H]1COCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174862812 379596717 /nfs/dbraw/zinc/59/67/17/379596717.db2.gz QBCMGBZMDHGUGL-LBPRGKRZSA-N 0 0 282.344 1.538 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1-n1ccc([N+](=O)[O-])n1 ZINC000288112867 197007121 /nfs/dbraw/zinc/00/71/21/197007121.db2.gz KYBUWXPELGYUMR-UHFFFAOYSA-N 0 0 266.217 1.214 20 5 CDBDRN CN(CCn1cc([N+](=O)[O-])cn1)Cc1nccs1 ZINC000175092420 379634324 /nfs/dbraw/zinc/63/43/24/379634324.db2.gz WCNVESFQJUWAFL-UHFFFAOYSA-N 0 0 267.314 1.380 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@@H](C)O)c1 ZINC000279126567 194294453 /nfs/dbraw/zinc/29/44/53/194294453.db2.gz MPZMTWUHCZIXAS-SECBINFHSA-N 0 0 282.296 1.494 20 5 CDBDRN C[C@@H](CO)CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279124714 194294947 /nfs/dbraw/zinc/29/49/47/194294947.db2.gz DFQOXOVBOQIINY-MRVPVSSYSA-N 0 0 299.302 1.158 20 5 CDBDRN COc1cc(C(=O)NCCC[C@H](C)O)cc([N+](=O)[O-])c1C ZINC000279165552 194313990 /nfs/dbraw/zinc/31/39/90/194313990.db2.gz QTFLLGDYQJNICU-VIFPVBQESA-N 0 0 296.323 1.803 20 5 CDBDRN C[C@H](CF)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000288978410 197205181 /nfs/dbraw/zinc/20/51/81/197205181.db2.gz MISBOTHUSIATLT-SECBINFHSA-N 0 0 270.260 1.838 20 5 CDBDRN CSCC[C@@H](O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000450434828 251282591 /nfs/dbraw/zinc/28/25/91/251282591.db2.gz HGXFMUYOAPULQN-GFCCVEGCSA-N 0 0 298.364 1.368 20 5 CDBDRN CCn1nccc1CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000450484664 251307908 /nfs/dbraw/zinc/30/79/08/251307908.db2.gz MAHCNHNSLSNBFR-UHFFFAOYSA-N 0 0 261.285 1.843 20 5 CDBDRN O=C1N[C@@H](c2ccccc2[N+](=O)[O-])N2CCSC[C@@H]12 ZINC000270757742 284915485 /nfs/dbraw/zinc/91/54/85/284915485.db2.gz DVCYWKVEAOCPJF-WDEREUQCSA-N 0 0 279.321 1.141 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(NC[C@@H](O)C3CCC3)c21 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Cc1cc(OCC(=O)N(C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000280638397 357497376 /nfs/dbraw/zinc/49/73/76/357497376.db2.gz CBYABEIQIWEPMN-UHFFFAOYSA-N 0 0 296.323 1.511 20 5 CDBDRN C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286563838 357459435 /nfs/dbraw/zinc/45/94/35/357459435.db2.gz UARSUHOQIHJUMA-JGVFFNPUSA-N 0 0 252.274 1.579 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H]2C)c1 ZINC000282827560 357478084 /nfs/dbraw/zinc/47/80/84/357478084.db2.gz LDWAHNLSSWDJBB-CABZTGNLSA-N 0 0 294.307 1.901 20 5 CDBDRN CCc1[nH]nc(C(=O)Nc2ccncc2C)c1[N+](=O)[O-] ZINC000264626262 357515253 /nfs/dbraw/zinc/51/52/53/357515253.db2.gz STMWRDLLELUCSI-UHFFFAOYSA-N 0 0 275.268 1.836 20 5 CDBDRN O=C(Nc1ccnc2ccnn21)c1ccc([N+](=O)[O-])s1 ZINC000108717740 357549225 /nfs/dbraw/zinc/54/92/25/357549225.db2.gz ALYNXHQKLKTDFC-UHFFFAOYSA-N 0 0 289.276 1.951 20 5 CDBDRN Cn1c(C(=O)N2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000334421235 357580440 /nfs/dbraw/zinc/58/04/40/357580440.db2.gz CTZVXDWDYVRGRH-JTQLQIEISA-N 0 0 263.297 1.805 20 5 CDBDRN CCC(CC)[C@@H](O)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187087201 357726417 /nfs/dbraw/zinc/72/64/17/357726417.db2.gz WTTDOOWCCLJJLW-NSHDSACASA-N 0 0 297.311 1.222 20 5 CDBDRN CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCS1 ZINC000187174957 357737325 /nfs/dbraw/zinc/73/73/25/357737325.db2.gz YGMCUAOTJOHBAB-UHFFFAOYSA-N 0 0 297.336 1.663 20 5 CDBDRN CC[C@@H](CO)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000294242639 198965920 /nfs/dbraw/zinc/96/59/20/198965920.db2.gz WEHANZUIPGXJPU-NSHDSACASA-N 0 0 266.297 1.367 20 5 CDBDRN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165719999 357772735 /nfs/dbraw/zinc/77/27/35/357772735.db2.gz HXWRVBAIUKXURZ-NEPJUHHUSA-N 0 0 282.271 1.767 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC(C)(C)O1 ZINC000408058648 357800407 /nfs/dbraw/zinc/80/04/07/357800407.db2.gz LELRMEQXQJTHQI-SECBINFHSA-N 0 0 281.312 1.573 20 5 CDBDRN O=C(NOC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000187932193 357824982 /nfs/dbraw/zinc/82/49/82/357824982.db2.gz LBTAPGHYHRNRRS-VIFPVBQESA-N 0 0 266.253 1.293 20 5 CDBDRN Cc1cc(C(=O)NOC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000187895190 357819596 /nfs/dbraw/zinc/81/95/96/357819596.db2.gz ACDYATBJZZZSIH-JTQLQIEISA-N 0 0 280.280 1.601 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)NC(=O)NC1CC1 ZINC000060555803 357783470 /nfs/dbraw/zinc/78/34/70/357783470.db2.gz SRPMIWNDOCRMRI-UHFFFAOYSA-N 0 0 292.295 1.303 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CO)C1CCOCC1 ZINC000361056759 357787093 /nfs/dbraw/zinc/78/70/93/357787093.db2.gz IKPMVXPJTFXQIS-LLVKDONJSA-N 0 0 298.343 1.319 20 5 CDBDRN Cc1c(CC(=O)NOC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000187978329 357831498 /nfs/dbraw/zinc/83/14/98/357831498.db2.gz BLUYLOSMMMJPDN-NSHDSACASA-N 0 0 294.307 1.530 20 5 CDBDRN COC[C@@H](C)S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000074360173 357911617 /nfs/dbraw/zinc/91/16/17/357911617.db2.gz XYHRBBDJZYBJRG-SSDOTTSWSA-N 0 0 293.272 1.477 20 5 CDBDRN COC(=O)c1cnc(N(C)CCSC)c([N+](=O)[O-])c1 ZINC000189347539 357998742 /nfs/dbraw/zinc/99/87/42/357998742.db2.gz HJUWLELKTRMGGS-UHFFFAOYSA-N 0 0 285.325 1.576 20 5 CDBDRN C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1CO ZINC000189400317 358005571 /nfs/dbraw/zinc/00/55/71/358005571.db2.gz TWJPDJZYCGSSFR-CBAPKCEASA-N 0 0 270.310 1.499 20 5 CDBDRN C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189408806 358007042 /nfs/dbraw/zinc/00/70/42/358007042.db2.gz JWQIVZAYNXZDNT-GXFFZTMASA-N 0 0 293.323 1.236 20 5 CDBDRN CC(C)[C@@H](O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000287167567 358119711 /nfs/dbraw/zinc/11/97/11/358119711.db2.gz SAMJSOLTAFJBIK-GFCCVEGCSA-N 0 0 292.295 1.104 20 5 CDBDRN CC1(C)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000081351099 358122199 /nfs/dbraw/zinc/12/21/99/358122199.db2.gz RRLHSCJJJBDZBL-UHFFFAOYSA-N 0 0 279.296 1.015 20 5 CDBDRN Cc1cnc(NC[C@H](O)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000361264791 358124966 /nfs/dbraw/zinc/12/49/66/358124966.db2.gz JSTPDXNZPYHKDK-KOLCDFICSA-N 0 0 267.285 1.108 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CCSCC2)c1[N+](=O)[O-] ZINC000264705340 358151415 /nfs/dbraw/zinc/15/14/15/358151415.db2.gz XMLSSHCOAOVJMB-UHFFFAOYSA-N 0 0 284.341 1.459 20 5 CDBDRN COC(=O)[C@H](C)N(CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000192385912 358196834 /nfs/dbraw/zinc/19/68/34/358196834.db2.gz CNLRDZOTZOXBIY-JTQLQIEISA-N 0 0 296.327 1.207 20 5 CDBDRN COCCO[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193521873 358300651 /nfs/dbraw/zinc/30/06/51/358300651.db2.gz VQWRZMCFQYBXSM-LLVKDONJSA-N 0 0 281.312 1.419 20 5 CDBDRN O=C(NCCCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000193294481 358282017 /nfs/dbraw/zinc/28/20/17/358282017.db2.gz HBRLZAJSJNCIRC-UHFFFAOYSA-N 0 0 253.258 1.489 20 5 CDBDRN CCC[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])OC ZINC000294845984 199211210 /nfs/dbraw/zinc/21/12/10/199211210.db2.gz BPCBTBAFEVCLMR-QMMMGPOBSA-N 0 0 282.300 1.316 20 5 CDBDRN CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@H]1OC ZINC000294864161 199219839 /nfs/dbraw/zinc/21/98/39/199219839.db2.gz DGWOIZOWBNCGPK-JMJZKYOTSA-N 0 0 282.300 1.298 20 5 CDBDRN CC(C)C1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000611076776 358391633 /nfs/dbraw/zinc/39/16/33/358391633.db2.gz GPXMXXQGWRBTKJ-UHFFFAOYSA-N 0 0 281.316 1.089 20 5 CDBDRN CNC(=O)C(C)(C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194933564 358400265 /nfs/dbraw/zinc/40/02/65/358400265.db2.gz SBXYVQDOVIBTGY-UHFFFAOYSA-N 0 0 293.323 1.405 20 5 CDBDRN CCOC(=O)[C@](C)(O)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000361666302 358411837 /nfs/dbraw/zinc/41/18/37/358411837.db2.gz JZLPBMSVDVQSBX-GFCCVEGCSA-N 0 0 283.284 1.024 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](O)CC1 ZINC000294913562 199244615 /nfs/dbraw/zinc/24/46/15/199244615.db2.gz QNLJSPZWAUETDF-LBPRGKRZSA-N 0 0 264.281 1.582 20 5 CDBDRN CC(C)Oc1nc(NCc2cocn2)ccc1[N+](=O)[O-] ZINC000594550140 358626433 /nfs/dbraw/zinc/62/64/33/358626433.db2.gz IZQCOTDPDPQNBC-UHFFFAOYSA-N 0 0 278.268 1.799 20 5 CDBDRN CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000341601347 358680796 /nfs/dbraw/zinc/68/07/96/358680796.db2.gz MCEAXXUWNDBQAW-RKDXNWHRSA-N 0 0 268.269 1.733 20 5 CDBDRN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062936379 358729825 /nfs/dbraw/zinc/72/98/25/358729825.db2.gz BSPIIKGZDSZBQY-CYBMUJFWSA-N 0 0 264.281 1.891 20 5 CDBDRN CC1(C)CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])[C@H]1C1CC1 ZINC000567749578 358731429 /nfs/dbraw/zinc/73/14/29/358731429.db2.gz OSKYUUXPVDPZSH-NSHDSACASA-N 0 0 290.323 1.663 20 5 CDBDRN NC(=O)c1ccnc(N[C@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000290960407 358794007 /nfs/dbraw/zinc/79/40/07/358794007.db2.gz OGSJDHYANCABJX-SCZZXKLOSA-N 0 0 294.311 1.052 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000178146588 366470114 /nfs/dbraw/zinc/47/01/14/366470114.db2.gz MTIIFUGEPATRNN-AOOOYVTPSA-N 0 0 251.286 1.912 20 5 CDBDRN COC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000276059253 358858734 /nfs/dbraw/zinc/85/87/34/358858734.db2.gz RLZGGTZZKGDJOG-ZWNOBZJWSA-N 0 0 266.297 1.835 20 5 CDBDRN COc1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)nn1 ZINC000291086893 358859684 /nfs/dbraw/zinc/85/96/84/358859684.db2.gz OPJOSTJXSUOCSB-UHFFFAOYSA-N 0 0 293.283 1.523 20 5 CDBDRN CCN(CCOC)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000221944737 358869661 /nfs/dbraw/zinc/86/96/61/358869661.db2.gz LXKZPILEKXAASD-UHFFFAOYSA-N 0 0 285.275 1.425 20 5 CDBDRN CCO[C@@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C12CCC2 ZINC000119493076 358846055 /nfs/dbraw/zinc/84/60/55/358846055.db2.gz VFUPFHYXZVUWPB-NXEZZACHSA-N 0 0 294.311 1.395 20 5 CDBDRN COCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101577841 358852861 /nfs/dbraw/zinc/85/28/61/358852861.db2.gz QUIQNJKNSNILNG-VIFPVBQESA-N 0 0 288.325 1.298 20 5 CDBDRN Cc1c(NC(=O)N2C[C@@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000408285458 358917134 /nfs/dbraw/zinc/91/71/34/358917134.db2.gz FUZZCLIGVPGKFV-SCZZXKLOSA-N 0 0 279.296 1.890 20 5 CDBDRN C[C@H]1CO[C@H](CO)CN1c1ccc([N+](=O)[O-])cc1 ZINC000167768881 366499569 /nfs/dbraw/zinc/49/95/69/366499569.db2.gz QCGZFUFBSIDVGN-CABZTGNLSA-N 0 0 252.270 1.181 20 5 CDBDRN COCC(COC)Nc1c(C)cccc1[N+](=O)[O-] ZINC000388452595 358898879 /nfs/dbraw/zinc/89/88/79/358898879.db2.gz YZBLVQLURKNWMF-UHFFFAOYSA-N 0 0 254.286 1.977 20 5 CDBDRN Cc1nnc(CCNc2ccc([N+](=O)[O-])cn2)s1 ZINC000291251809 358901978 /nfs/dbraw/zinc/90/19/78/358901978.db2.gz YIGQGEDWYANEFH-UHFFFAOYSA-N 0 0 265.298 1.804 20 5 CDBDRN CC(C)(C)C(=O)OCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000179380384 366533306 /nfs/dbraw/zinc/53/33/06/366533306.db2.gz AZOBIFKSMRNJRN-UHFFFAOYSA-N 0 0 254.242 1.303 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@@H](CO)C1 ZINC000296374972 199871324 /nfs/dbraw/zinc/87/13/24/199871324.db2.gz RPNDPGURCIIZLJ-KOLCDFICSA-N 0 0 279.296 1.877 20 5 CDBDRN C[C@@H]1CSC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000342404432 359040936 /nfs/dbraw/zinc/04/09/36/359040936.db2.gz FVKFBRFZFDWIOA-VXNVDRBHSA-N 0 0 281.337 1.658 20 5 CDBDRN Cn1cncc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000085191889 359047238 /nfs/dbraw/zinc/04/72/38/359047238.db2.gz KUBLDTWKTUSCSI-UHFFFAOYSA-N 0 0 286.089 1.336 20 5 CDBDRN O=C(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])OCC1CC1 ZINC000134232885 358996145 /nfs/dbraw/zinc/99/61/45/358996145.db2.gz UEQCOCHQNLWDFF-UHFFFAOYSA-N 0 0 296.254 1.417 20 5 CDBDRN COC1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000357897951 359001756 /nfs/dbraw/zinc/00/17/56/359001756.db2.gz ZISHUNSVSFHFNY-UHFFFAOYSA-N 0 0 259.265 1.978 20 5 CDBDRN C[C@@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119774629 359013748 /nfs/dbraw/zinc/01/37/48/359013748.db2.gz YEZXYIHERBKOCC-SSDOTTSWSA-N 0 0 272.688 1.288 20 5 CDBDRN CC[N@H+](CC(=O)[O-])C1CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000263542084 359019261 /nfs/dbraw/zinc/01/92/61/359019261.db2.gz DKLOADALCKCVJR-UHFFFAOYSA-N 0 0 294.311 1.339 20 5 CDBDRN CCN(C1COC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000451709183 359072030 /nfs/dbraw/zinc/07/20/30/359072030.db2.gz JSDXXMVPAMXKDN-UHFFFAOYSA-N 0 0 286.309 1.004 20 5 CDBDRN O=C([C@@H]1CC1(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451857895 359086459 /nfs/dbraw/zinc/08/64/59/359086459.db2.gz ABQPWBABHXLAAS-JTQLQIEISA-N 0 0 298.245 1.971 20 5 CDBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Cn1ccnc1 ZINC000353013655 359056258 /nfs/dbraw/zinc/05/62/58/359056258.db2.gz QXCZJVDGDLYJFR-JTQLQIEISA-N 0 0 291.311 1.196 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1)N(CCO)C1CCC1 ZINC000222124315 359059437 /nfs/dbraw/zinc/05/94/37/359059437.db2.gz HSGBGECDMBHEMA-UHFFFAOYSA-N 0 0 264.281 1.582 20 5 CDBDRN Cc1nn(C)c(C(=O)N[C@@H]2CCCCC[C@H]2O)c1[N+](=O)[O-] ZINC000288005398 359145763 /nfs/dbraw/zinc/14/57/63/359145763.db2.gz IVHZQZNPNROCSK-NXEZZACHSA-N 0 0 296.327 1.060 20 5 CDBDRN COc1ccc(NC(=O)C(=O)N[C@H](C)CF)cc1[N+](=O)[O-] ZINC000288060281 359151309 /nfs/dbraw/zinc/15/13/09/359151309.db2.gz FRLIMBRTASOISA-SSDOTTSWSA-N 0 0 299.258 1.016 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C(C)C)C1=O ZINC000288055955 359151402 /nfs/dbraw/zinc/15/14/02/359151402.db2.gz ATVWHLMARCLLFX-JTQLQIEISA-N 0 0 295.343 1.541 20 5 CDBDRN C[C@@H](CF)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288069409 359152259 /nfs/dbraw/zinc/15/22/59/359152259.db2.gz GFRLHZLXGRUXRY-ZETCQYMHSA-N 0 0 269.232 1.008 20 5 CDBDRN Cc1cc(N2CCC(O)(CO)CC2)ccc1[N+](=O)[O-] ZINC000313675370 359152683 /nfs/dbraw/zinc/15/26/83/359152683.db2.gz RVOOWLBCVJNFHE-UHFFFAOYSA-N 0 0 266.297 1.227 20 5 CDBDRN O=[N+]([O-])c1cccc2c(NC[C@H]3COCCO3)ccnc21 ZINC000214729772 359157577 /nfs/dbraw/zinc/15/75/77/359157577.db2.gz VOJNYNAQBRHLSC-JTQLQIEISA-N 0 0 289.291 1.970 20 5 CDBDRN O=C(COc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000338960366 359252676 /nfs/dbraw/zinc/25/26/76/359252676.db2.gz CUZFBZAMNQKFPM-UHFFFAOYSA-N 0 0 299.286 1.958 20 5 CDBDRN O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](OCCO)C1 ZINC000338997738 359268776 /nfs/dbraw/zinc/26/87/76/359268776.db2.gz ABVASGHYOWJZLP-CYBMUJFWSA-N 0 0 296.323 1.274 20 5 CDBDRN CC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000050053720 359281291 /nfs/dbraw/zinc/28/12/91/359281291.db2.gz WHCYOLDIQGBANJ-UHFFFAOYSA-N 0 0 266.297 1.980 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCS1 ZINC000342647741 359340369 /nfs/dbraw/zinc/34/03/69/359340369.db2.gz DWGRKMRJJAVZFA-JTQLQIEISA-N 0 0 284.341 1.193 20 5 CDBDRN Cc1cc(C(=O)NCc2cncnc2N)cc([N+](=O)[O-])c1 ZINC000339720293 359428076 /nfs/dbraw/zinc/42/80/76/359428076.db2.gz RZTYBPMIRGYPBO-UHFFFAOYSA-N 0 0 287.279 1.036 20 5 CDBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](O)CC3)nc2c1 ZINC000339781080 359437541 /nfs/dbraw/zinc/43/75/41/359437541.db2.gz UAZJYDFECVFKGO-NSHDSACASA-N 0 0 290.323 1.818 20 5 CDBDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000127894607 359429888 /nfs/dbraw/zinc/42/98/88/359429888.db2.gz WAEYNRFLGQDDLD-IUCAKERBSA-N 0 0 268.269 1.421 20 5 CDBDRN C[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000436719438 359501291 /nfs/dbraw/zinc/50/12/91/359501291.db2.gz AUPZQIXHCHXPPZ-CABZTGNLSA-N 0 0 293.323 1.500 20 5 CDBDRN C[C@H](O)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000114825392 359502222 /nfs/dbraw/zinc/50/22/22/359502222.db2.gz LKJMEPSFKMADHL-JTQLQIEISA-N 0 0 281.312 1.207 20 5 CDBDRN COCCC1(C)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000289185400 359490371 /nfs/dbraw/zinc/49/03/71/359490371.db2.gz WGNRYCGBOIKTQA-UHFFFAOYSA-N 0 0 251.286 1.853 20 5 CDBDRN Cc1cc(NC(=O)N[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000296882189 200024667 /nfs/dbraw/zinc/02/46/67/200024667.db2.gz LVOCNIKFKKIPMB-AOOOYVTPSA-N 0 0 265.269 1.548 20 5 CDBDRN CCOCCCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000340302126 359634623 /nfs/dbraw/zinc/63/46/23/359634623.db2.gz UCRGXNOFELDUAK-UHFFFAOYSA-N 0 0 269.301 1.480 20 5 CDBDRN Cc1nc(NCC[S@@](=O)C(C)(C)C)ncc1[N+](=O)[O-] ZINC000297043258 200070398 /nfs/dbraw/zinc/07/03/98/200070398.db2.gz HZFGSAVGAXYZSV-LJQANCHMSA-N 0 0 286.357 1.652 20 5 CDBDRN Cc1cc(NC(=O)N2CC(=O)N[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297062552 200075503 /nfs/dbraw/zinc/07/55/03/200075503.db2.gz YEAOXAGSAQQXND-SECBINFHSA-N 0 0 292.295 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MENMHJLMHMXFGK-AWEZNQCLSA-N 0 0 279.340 1.266 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091558555 374033626 /nfs/dbraw/zinc/03/36/26/374033626.db2.gz WDNZEJLHQOVMCK-JTQLQIEISA-N 0 0 279.344 1.768 20 5 CDBDRN CCOC(=O)CCN(C)c1c([N+](=O)[O-])c(CC)nn1C ZINC000091560078 374040827 /nfs/dbraw/zinc/04/08/27/374040827.db2.gz KPJRMSRWJISUKO-UHFFFAOYSA-N 0 0 284.316 1.280 20 5 CDBDRN COC(C)(C)CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000543712754 374203613 /nfs/dbraw/zinc/20/36/13/374203613.db2.gz WWGOAJLYIJHKBN-UHFFFAOYSA-N 0 0 281.312 1.674 20 5 CDBDRN CCOC1CC(O)(CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000277766616 193751790 /nfs/dbraw/zinc/75/17/90/193751790.db2.gz DHUKVMJWWUVWJS-UHFFFAOYSA-N 0 0 267.285 1.332 20 5 CDBDRN CC[C@](C)(CCO)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000226533687 374186554 /nfs/dbraw/zinc/18/65/54/374186554.db2.gz JJCYJBWEFSEIES-CQSZACIVSA-N 0 0 280.324 1.805 20 5 CDBDRN CCS(=O)(=O)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000113349654 374252842 /nfs/dbraw/zinc/25/28/42/374252842.db2.gz SEKJZFPQNBHVRM-SNVBAGLBSA-N 0 0 286.353 1.508 20 5 CDBDRN Cc1nn(C)c(NCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000065200684 374254540 /nfs/dbraw/zinc/25/45/40/374254540.db2.gz FYAVUMIEDPDALX-UHFFFAOYSA-N 0 0 299.331 1.573 20 5 CDBDRN C[C@H](C[C@H](C)O)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000312172659 374278182 /nfs/dbraw/zinc/27/81/82/374278182.db2.gz RNNCKNCIOQPQPJ-UQRGBAIESA-N 0 0 278.308 1.884 20 5 CDBDRN CC[C@H](O)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000312175434 374278403 /nfs/dbraw/zinc/27/84/03/374278403.db2.gz HHDLWYYGPOQMIW-FWWRYZNZSA-N 0 0 278.308 1.885 20 5 CDBDRN CC(C)CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000161596459 374290925 /nfs/dbraw/zinc/29/09/25/374290925.db2.gz VPEJZHPZVXDJKA-UHFFFAOYSA-N 0 0 295.343 1.621 20 5 CDBDRN C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])[C@H]1C ZINC000420598715 374298487 /nfs/dbraw/zinc/29/84/87/374298487.db2.gz KDACWRXNTGKCSK-BDAKNGLRSA-N 0 0 263.297 1.928 20 5 CDBDRN Cc1nn(C)c(C(=O)Nc2cc(Cl)ccn2)c1[N+](=O)[O-] ZINC000114324929 374304405 /nfs/dbraw/zinc/30/44/05/374304405.db2.gz WJEGVWQJJFYWGS-UHFFFAOYSA-N 0 0 295.686 1.937 20 5 CDBDRN CC[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000419979699 374284079 /nfs/dbraw/zinc/28/40/79/374284079.db2.gz PWZHEINWVDHLPT-MFKMUULPSA-N 0 0 280.324 1.661 20 5 CDBDRN CC1(C)C[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000299036386 374323938 /nfs/dbraw/zinc/32/39/38/374323938.db2.gz IVNQHNZPLMOFJI-SNVBAGLBSA-N 0 0 285.325 1.453 20 5 CDBDRN Cc1n[nH]c(C(=O)N[C@H](C)CC(C)C)c1[N+](=O)[O-] ZINC000269796774 374354587 /nfs/dbraw/zinc/35/45/87/374354587.db2.gz IXRGUUMZUUHVEZ-SSDOTTSWSA-N 0 0 254.290 1.791 20 5 CDBDRN CC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000115310422 374399135 /nfs/dbraw/zinc/39/91/35/374399135.db2.gz XLEWQLIGGJLXDH-VIFPVBQESA-N 0 0 282.271 1.985 20 5 CDBDRN CC(C)(C)OC(=O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000115463289 374407354 /nfs/dbraw/zinc/40/73/54/374407354.db2.gz SRYMYYAZSOYSQB-UHFFFAOYSA-N 0 0 298.270 1.805 20 5 CDBDRN C[C@@H](NC(=O)N1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000080045278 374439097 /nfs/dbraw/zinc/43/90/97/374439097.db2.gz MYTRHAFZRVEAJW-MFKMUULPSA-N 0 0 293.323 1.822 20 5 CDBDRN CC[C@@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000080109178 374446259 /nfs/dbraw/zinc/44/62/59/374446259.db2.gz YXIJTRSFYQAZAQ-QMMMGPOBSA-N 0 0 262.269 1.721 20 5 CDBDRN Cc1nn(C)c(C(=O)NC[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000299177427 374482459 /nfs/dbraw/zinc/48/24/59/374482459.db2.gz YFCXKCRDFQASCX-XPUUQOCRSA-N 0 0 252.274 1.023 20 5 CDBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC([C@@H]2CCOC2)C1 ZINC000377433013 296217004 /nfs/dbraw/zinc/21/70/04/296217004.db2.gz REQVNSLWRMDYGQ-SECBINFHSA-N 0 0 294.282 1.842 20 5 CDBDRN C[C@H]1C[C@@H](O)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000456984675 252461858 /nfs/dbraw/zinc/46/18/58/252461858.db2.gz BVXWDYMECIRLBJ-JOYOIKCWSA-N 0 0 296.298 1.506 20 5 CDBDRN CC[C@H](C)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081809082 374554179 /nfs/dbraw/zinc/55/41/79/374554179.db2.gz XYPJGYBJPPMTSI-JTQLQIEISA-N 0 0 293.323 1.582 20 5 CDBDRN CCN(CCO)c1ncc([N+](=O)[O-])cc1Br ZINC000081941803 374564739 /nfs/dbraw/zinc/56/47/39/374564739.db2.gz QYSCCYBNQALXPG-UHFFFAOYSA-N 0 0 290.117 1.571 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)[C@H]1C ZINC000416120554 374561552 /nfs/dbraw/zinc/56/15/52/374561552.db2.gz ULYPDTDNEOQHDX-VGMNWLOBSA-N 0 0 266.301 1.445 20 5 CDBDRN O=[N+]([O-])c1cn(Cc2ccc3c(c2)OCCO3)cn1 ZINC000299247280 374594246 /nfs/dbraw/zinc/59/42/46/374594246.db2.gz PWEAVIVHVAEKJG-UHFFFAOYSA-N 0 0 261.237 1.611 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](CO)C1)CCN2 ZINC000275358365 374696176 /nfs/dbraw/zinc/69/61/76/374696176.db2.gz KYBPXPXXVIXEBQ-SNVBAGLBSA-N 0 0 277.324 1.772 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1CO ZINC000118535101 374661070 /nfs/dbraw/zinc/66/10/70/374661070.db2.gz QKLSFBIAXXPMSN-LLVKDONJSA-N 0 0 279.296 1.892 20 5 CDBDRN CCOC(=O)N1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000274426314 374673926 /nfs/dbraw/zinc/67/39/26/374673926.db2.gz CZSHOTPHBQMAFI-QMMMGPOBSA-N 0 0 281.272 1.028 20 5 CDBDRN CNS(=O)(=O)c1ccc(NCC=C(C)C)c([N+](=O)[O-])c1 ZINC000276814581 374751535 /nfs/dbraw/zinc/75/15/35/374751535.db2.gz SNSQXCYSKUELHP-UHFFFAOYSA-N 0 0 299.352 1.881 20 5 CDBDRN COC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000276059242 374707981 /nfs/dbraw/zinc/70/79/81/374707981.db2.gz RLZGGTZZKGDJOG-GXFFZTMASA-N 0 0 266.297 1.835 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(NCCCCCO)c21 ZINC000447818423 374714852 /nfs/dbraw/zinc/71/48/52/374714852.db2.gz WXKJZODZIFHMRJ-UHFFFAOYSA-N 0 0 276.296 1.534 20 5 CDBDRN Cc1nnc(COc2ccc([N+](=O)[O-])cc2F)n1C ZINC000124043356 374731249 /nfs/dbraw/zinc/73/12/49/374731249.db2.gz DGEUXOZBRUIUCF-UHFFFAOYSA-N 0 0 266.232 1.750 20 5 CDBDRN CCOCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093314172 374741657 /nfs/dbraw/zinc/74/16/57/374741657.db2.gz PMJZJANAXRYZOG-LLVKDONJSA-N 0 0 295.339 1.890 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2n[nH]cc2C1 ZINC000124487133 374802247 /nfs/dbraw/zinc/80/22/47/374802247.db2.gz CIJLESKCFPGIHX-UHFFFAOYSA-N 0 0 286.291 1.445 20 5 CDBDRN O=C(Cc1noc(-c2cccc([N+](=O)[O-])c2)n1)NC1CC1 ZINC000277798552 374815210 /nfs/dbraw/zinc/81/52/10/374815210.db2.gz HMAMEADCDSJTMA-UHFFFAOYSA-N 0 0 288.263 1.466 20 5 CDBDRN CCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000277838770 374818840 /nfs/dbraw/zinc/81/88/40/374818840.db2.gz FOQSNTVXLYIHJD-UHFFFAOYSA-N 0 0 279.256 1.042 20 5 CDBDRN CO[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C(C)C ZINC000266703317 374820108 /nfs/dbraw/zinc/82/01/08/374820108.db2.gz QFOVYAVBDFTJLR-ZDUSSCGKSA-N 0 0 295.339 1.794 20 5 CDBDRN C[C@H]1C[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000278059505 374829983 /nfs/dbraw/zinc/82/99/83/374829983.db2.gz MWWXTIWDXTUOGF-IUCAKERBSA-N 0 0 295.295 1.240 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OC)CC1 ZINC000277157183 374774656 /nfs/dbraw/zinc/77/46/56/374774656.db2.gz CZEVFNQWSIHUOG-UHFFFAOYSA-N 0 0 294.307 1.854 20 5 CDBDRN CO[C@@]1(C(=O)N(C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000277242316 374777875 /nfs/dbraw/zinc/77/78/75/374777875.db2.gz RARWWPLHOJSFIE-ZDUSSCGKSA-N 0 0 280.280 1.363 20 5 CDBDRN CCC[C@](C)(O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000124449357 374793708 /nfs/dbraw/zinc/79/37/08/374793708.db2.gz PAERULYJXFHODM-ZDUSSCGKSA-N 0 0 266.297 1.762 20 5 CDBDRN O=C(NC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000330572309 374867204 /nfs/dbraw/zinc/86/72/04/374867204.db2.gz NDSYAWZSVRMSEB-VIFPVBQESA-N 0 0 253.258 1.222 20 5 CDBDRN Cc1nnc(N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000331161016 374898123 /nfs/dbraw/zinc/89/81/23/374898123.db2.gz CSEYKQYOMMSINA-UHFFFAOYSA-N 0 0 282.285 1.063 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@H]1C ZINC000278459295 374845261 /nfs/dbraw/zinc/84/52/61/374845261.db2.gz HEHMXWQZWKJXBE-VHSXEESVSA-N 0 0 264.281 1.810 20 5 CDBDRN CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000330427219 374852633 /nfs/dbraw/zinc/85/26/33/374852633.db2.gz JARHPCWGBWTGPR-MRVPVSSYSA-N 0 0 267.285 1.610 20 5 CDBDRN C[C@H](O)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000331274069 374920383 /nfs/dbraw/zinc/92/03/83/374920383.db2.gz BJVGIPJJRDQFIE-VIFPVBQESA-N 0 0 283.328 1.460 20 5 CDBDRN CC[C@@H](O)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279525109 374920531 /nfs/dbraw/zinc/92/05/31/374920531.db2.gz TWRUHVVUQXOWKC-SSDOTTSWSA-N 0 0 285.275 1.207 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC(C)(C)CC1 ZINC000125119592 374948437 /nfs/dbraw/zinc/94/84/37/374948437.db2.gz DMYUQWLNWBGPQV-UHFFFAOYSA-N 0 0 280.328 1.981 20 5 CDBDRN CN1C[C@H](c2noc(-c3ccccc3[N+](=O)[O-])n2)CC1=O ZINC000331497263 374964360 /nfs/dbraw/zinc/96/43/60/374964360.db2.gz BDYLWMGTDQVQTB-MRVPVSSYSA-N 0 0 288.263 1.591 20 5 CDBDRN Cc1n[nH]c(C(=O)N(C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000331511110 374965724 /nfs/dbraw/zinc/96/57/24/374965724.db2.gz PQFPIMJZJZJFSX-UHFFFAOYSA-N 0 0 252.274 1.639 20 5 CDBDRN CSCCONC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000279849779 374967812 /nfs/dbraw/zinc/96/78/12/374967812.db2.gz CFQROQQSOINNOL-UHFFFAOYSA-N 0 0 270.310 1.548 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2C[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000279450133 374904622 /nfs/dbraw/zinc/90/46/22/374904622.db2.gz VPECNVSVKYQVJK-SECBINFHSA-N 0 0 296.327 1.113 20 5 CDBDRN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1=O ZINC000331176867 374904731 /nfs/dbraw/zinc/90/47/31/374904731.db2.gz QBAJRNWLNBKOCI-VXGBXAGGSA-N 0 0 296.392 1.979 20 5 CDBDRN COc1cccc(C(=O)N2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000331244826 374914414 /nfs/dbraw/zinc/91/44/14/374914414.db2.gz ZZKKRJDDRQGSCV-UHFFFAOYSA-N 0 0 294.307 1.854 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)O[C@]3(CCOC3)C2)n1 ZINC000280330514 374992930 /nfs/dbraw/zinc/99/29/30/374992930.db2.gz UTQXEIQMTUWFMG-SMDDNHRTSA-N 0 0 293.323 1.682 20 5 CDBDRN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332237026 375018240 /nfs/dbraw/zinc/01/82/40/375018240.db2.gz NZCLAGCHAQNZMG-SRVKXCTJSA-N 0 0 290.319 1.828 20 5 CDBDRN COC1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000332428378 375030651 /nfs/dbraw/zinc/03/06/51/375030651.db2.gz GEZASEIRWMNCKH-MRVPVSSYSA-N 0 0 282.271 1.695 20 5 CDBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC(O)C2)c1 ZINC000332418912 375030862 /nfs/dbraw/zinc/03/08/62/375030862.db2.gz DOWBXBORCIASAD-UHFFFAOYSA-N 0 0 296.348 1.912 20 5 CDBDRN O=C(NCc1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000125551587 375036436 /nfs/dbraw/zinc/03/64/36/375036436.db2.gz VYRFUGYDPMUKIJ-UHFFFAOYSA-N 0 0 291.238 1.765 20 5 CDBDRN Cc1cn(CCO[C@H]2CCCCO2)nc1[N+](=O)[O-] ZINC000282325847 375078597 /nfs/dbraw/zinc/07/85/97/375078597.db2.gz UPKUJUPJQAIUDE-JTQLQIEISA-N 0 0 255.274 1.643 20 5 CDBDRN Cc1ccc(NC(=O)N(C)CCOCCO)cc1[N+](=O)[O-] ZINC000282459673 375086357 /nfs/dbraw/zinc/08/63/57/375086357.db2.gz KVDIVFFLSATUOW-UHFFFAOYSA-N 0 0 297.311 1.376 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccco1 ZINC000046033582 375095837 /nfs/dbraw/zinc/09/58/37/375095837.db2.gz MCMFXAFPXYLORR-UHFFFAOYSA-N 0 0 296.304 1.975 20 5 CDBDRN Cc1ccc(NC(=O)[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000282964004 375107547 /nfs/dbraw/zinc/10/75/47/375107547.db2.gz RNRGKKMMHUGKDL-MRVPVSSYSA-N 0 0 265.269 1.353 20 5 CDBDRN Cc1nn(C)c(C(=O)N2CC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000332711060 375045203 /nfs/dbraw/zinc/04/52/03/375045203.db2.gz OUUHBIWTZKRPGF-SNVBAGLBSA-N 0 0 280.328 1.755 20 5 CDBDRN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccco1 ZINC000471748347 375053509 /nfs/dbraw/zinc/05/35/09/375053509.db2.gz QXAQHNYIXNAVRY-SNVBAGLBSA-N 0 0 279.252 1.633 20 5 CDBDRN CO[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000471800191 375056451 /nfs/dbraw/zinc/05/64/51/375056451.db2.gz QKYHQQHSZZQYSV-ZDUSSCGKSA-N 0 0 295.339 1.794 20 5 CDBDRN CCN(CCOCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000283422211 375114424 /nfs/dbraw/zinc/11/44/24/375114424.db2.gz GSPYOLBISCNIMN-UHFFFAOYSA-N 0 0 272.276 1.569 20 5 CDBDRN Cc1cc2n[nH]cc2cc1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302733747 375244583 /nfs/dbraw/zinc/24/45/83/375244583.db2.gz VLQPJBUEIWQFRL-UHFFFAOYSA-N 0 0 285.267 1.895 20 5 CDBDRN C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1nc[nH]n1 ZINC000306108155 375197961 /nfs/dbraw/zinc/19/79/61/375197961.db2.gz UHQNYTWHKZHSOS-RXMQYKEDSA-N 0 0 268.664 1.934 20 5 CDBDRN O=[N+]([O-])c1cccnc1N1CCO[C@@H](COCC2CC2)C1 ZINC000302518721 375210078 /nfs/dbraw/zinc/21/00/78/375210078.db2.gz YNTUEMBZHAHBEH-GFCCVEGCSA-N 0 0 293.323 1.622 20 5 CDBDRN CC(C)[C@H]1N(C(=O)c2cc([N+](=O)[O-])nn2C)CC1(C)C ZINC000350713896 375231322 /nfs/dbraw/zinc/23/13/22/375231322.db2.gz MUQOJEPGZODHCP-LLVKDONJSA-N 0 0 280.328 1.835 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N(CC(F)F)C1CC1 ZINC000351738667 375325554 /nfs/dbraw/zinc/32/55/54/375325554.db2.gz RMLRBVYPUDTFEL-UHFFFAOYSA-N 0 0 286.238 1.442 20 5 CDBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(F)cc(F)c1 ZINC000048223608 375286399 /nfs/dbraw/zinc/28/63/99/375286399.db2.gz WSXRRGQRHZANAC-UHFFFAOYSA-N 0 0 283.194 1.103 20 5 CDBDRN Cc1cc(NCc2nnnn2CC2CC2)ncc1[N+](=O)[O-] ZINC000351546029 375306179 /nfs/dbraw/zinc/30/61/79/375306179.db2.gz UAUYLUJBVXITGQ-UHFFFAOYSA-N 0 0 289.299 1.307 20 5 CDBDRN O=C(NC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000162284654 375310960 /nfs/dbraw/zinc/31/09/60/375310960.db2.gz XLFNUFRNNURZRI-UHFFFAOYSA-N 0 0 250.254 1.240 20 5 CDBDRN O=[N+]([O-])c1ccc(OCc2ccon2)cc1CO ZINC000351647097 375316154 /nfs/dbraw/zinc/31/61/54/375316154.db2.gz BPMCMVFUGXTUNG-UHFFFAOYSA-N 0 0 250.210 1.654 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCCNC(=O)c1cccs1 ZINC000048563857 375322657 /nfs/dbraw/zinc/32/26/57/375322657.db2.gz RFWQLQNUPHHAAZ-UHFFFAOYSA-N 0 0 295.324 1.232 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)NCC(C)=O ZINC000344743311 375392369 /nfs/dbraw/zinc/39/23/69/375392369.db2.gz ASZFJSIXRZLENM-SECBINFHSA-N 0 0 296.279 1.076 20 5 CDBDRN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[S@@]1=O ZINC000351924948 375342123 /nfs/dbraw/zinc/34/21/23/375342123.db2.gz JNPMGAGZKBEHMW-UGZDLDLSSA-N 0 0 286.328 1.687 20 5 CDBDRN 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FMIVTQQKCMXMKL-UHFFFAOYSA-N 0 0 297.278 1.402 20 5 CDBDRN Cn1ncc(C(N)=O)c1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210951500 940723472 /nfs/dbraw/zinc/72/34/72/940723472.db2.gz ICERBKFDPXIYSG-UHFFFAOYSA-N 0 0 279.231 1.310 20 5 CDBDRN COC(=O)c1cc(N)n(-c2ccc(C)cc2[N+](=O)[O-])n1 ZINC001214165322 940804422 /nfs/dbraw/zinc/80/44/22/940804422.db2.gz QJAXQWDIURRZNO-UHFFFAOYSA-N 0 0 276.252 1.458 20 5 CDBDRN COC(=O)CCN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000401266539 940866176 /nfs/dbraw/zinc/86/61/76/940866176.db2.gz NNYSVKNMDDPDAW-UHFFFAOYSA-N 0 0 257.221 1.128 20 5 CDBDRN C[C@@H]1C[C@H](O)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000401529364 940870886 /nfs/dbraw/zinc/87/08/86/940870886.db2.gz HHYIJDWPCTVXPE-KOLCDFICSA-N 0 0 268.288 1.937 20 5 CDBDRN Cn1ncc(N)c1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215289285 940870999 /nfs/dbraw/zinc/87/09/99/940870999.db2.gz HVXPXHYYJFNVKL-UHFFFAOYSA-N 0 0 269.211 1.932 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ncccc1N ZINC001218304173 941053426 /nfs/dbraw/zinc/05/34/26/941053426.db2.gz GQAXNYGLXPDAJW-MRVPVSSYSA-N 0 0 277.284 1.544 20 5 CDBDRN O=C1OC[C@H](COCc2ccc([N+](=O)[O-])cc2)O1 ZINC001222790904 941634844 /nfs/dbraw/zinc/63/48/44/941634844.db2.gz DPMCVCBKNUSWTC-JTQLQIEISA-N 0 0 253.210 1.647 20 5 CDBDRN O=[N+]([O-])c1cc(COC2COC2)cc([N+](=O)[O-])c1 ZINC001223486418 941681367 /nfs/dbraw/zinc/68/13/67/941681367.db2.gz UZOISOOAGKOGGG-UHFFFAOYSA-N 0 0 254.198 1.418 20 5 CDBDRN O=C1OCCC[C@H]1OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223488651 941681480 /nfs/dbraw/zinc/68/14/80/941681480.db2.gz RDXFWLYXULNVPF-LLVKDONJSA-N 0 0 296.235 1.725 20 5 CDBDRN CC[C@@H](O)C(=O)OCc1c(C)cccc1[N+](=O)[O-] ZINC001223535255 941684865 /nfs/dbraw/zinc/68/48/65/941684865.db2.gz IREVLQCDNFRZAB-LLVKDONJSA-N 0 0 253.254 1.717 20 5 CDBDRN Cc1cccc(CO[C@@H]2COC(=O)C2)c1[N+](=O)[O-] ZINC001223661263 941690561 /nfs/dbraw/zinc/69/05/61/941690561.db2.gz NUCFWHUKKQJAGM-JTQLQIEISA-N 0 0 251.238 1.735 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1COC1CCN(N)CC1 ZINC001223945172 941708553 /nfs/dbraw/zinc/70/85/53/941708553.db2.gz CCTYRAPJLGFYCA-UHFFFAOYSA-N 0 0 281.312 1.458 20 5 CDBDRN CO[C@H](C)CO[C@H](C)COCc1ccc([N+](=O)[O-])nc1 ZINC001224115398 941721203 /nfs/dbraw/zinc/72/12/03/941721203.db2.gz TYFSBHLDQMKOKO-GHMZBOCLSA-N 0 0 284.312 1.946 20 5 CDBDRN CC(=O)N1CC(OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224331848 941743476 /nfs/dbraw/zinc/74/34/76/941743476.db2.gz SXEUKBGOVQCBJT-UHFFFAOYSA-N 0 0 264.281 1.385 20 5 CDBDRN O=[N+]([O-])C[C@@H](OC[C@H]1CCOC1)c1cccnc1 ZINC001224482856 941760550 /nfs/dbraw/zinc/76/05/50/941760550.db2.gz WICPUNDJOZUKGQ-CMPLNLGQSA-N 0 0 252.270 1.453 20 5 CDBDRN COCCOCCO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224518651 941763192 /nfs/dbraw/zinc/76/31/92/941763192.db2.gz PGBQLHDHEMCJTQ-GFCCVEGCSA-N 0 0 270.285 1.079 20 5 CDBDRN O=C1OC[C@H](COc2ccc(F)c([N+](=O)[O-])c2)O1 ZINC001225381041 941851122 /nfs/dbraw/zinc/85/11/22/941851122.db2.gz AOKLKBJZPGGZNZ-ZETCQYMHSA-N 0 0 257.173 1.648 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1O[C@H]1CCCOC1=O ZINC001225613334 941888609 /nfs/dbraw/zinc/88/86/09/941888609.db2.gz OYNYOAUFCVTUBR-JTQLQIEISA-N 0 0 267.237 1.688 20 5 CDBDRN Cc1cccc(O[C@@H]2CCCOC2=O)c1[N+](=O)[O-] ZINC001225633571 941892294 /nfs/dbraw/zinc/89/22/94/941892294.db2.gz TZKXGLHJIBNVCF-SNVBAGLBSA-N 0 0 251.238 1.988 20 5 CDBDRN O=c1cc[nH]c(O[C@H]2COc3cnccc32)c1[N+](=O)[O-] ZINC001225664681 941896176 /nfs/dbraw/zinc/89/61/76/941896176.db2.gz RGPIZZDPCHQHQS-JTQLQIEISA-N 0 0 275.220 1.603 20 5 CDBDRN O=[N+]([O-])c1c(F)cccc1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001225665729 941897582 /nfs/dbraw/zinc/89/75/82/941897582.db2.gz DQSKQYOOYAEGAT-VIRWGQHYSA-N 0 0 269.228 1.874 20 5 CDBDRN O=[N+]([O-])c1cccc(OC[C@@H]2COCO2)c1Cl ZINC001225786856 941912184 /nfs/dbraw/zinc/91/21/84/941912184.db2.gz YUWYBTNMVLBENA-ZETCQYMHSA-N 0 0 259.645 2.000 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC001225804521 941915390 /nfs/dbraw/zinc/91/53/90/941915390.db2.gz VLVADBWOQZCDES-SNVBAGLBSA-N 0 0 299.304 1.363 20 5 CDBDRN O=C1OCCC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226191930 941965004 /nfs/dbraw/zinc/96/50/04/941965004.db2.gz VEGAVGBJGCDJMN-VIFPVBQESA-N 0 0 273.191 1.957 20 5 CDBDRN COC(=O)Cc1ccc(OC2CC2)c([N+](=O)[O-])c1 ZINC001226217160 941968365 /nfs/dbraw/zinc/96/83/65/941968365.db2.gz PZMZZLJJNDCQBS-UHFFFAOYSA-N 0 0 251.238 1.852 20 5 CDBDRN COC(=O)Cc1ccc(OC2COC2)c([N+](=O)[O-])c1 ZINC001226214938 941968557 /nfs/dbraw/zinc/96/85/57/941968557.db2.gz SCAKQYZREUYZDH-UHFFFAOYSA-N 0 0 267.237 1.088 20 5 CDBDRN O=[N+]([O-])c1cnc(OC[C@@H]2COCO2)c(Cl)c1 ZINC001226256270 941976977 /nfs/dbraw/zinc/97/69/77/941976977.db2.gz RMSCTYDLPCCZEC-ZETCQYMHSA-N 0 0 260.633 1.395 20 5 CDBDRN CC[NH+](CC)C[C@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226330697 941987985 /nfs/dbraw/zinc/98/79/85/941987985.db2.gz APYOAUMJIIGZON-QMMMGPOBSA-N 0 0 270.289 1.200 20 5 CDBDRN COC[C@H](C)Oc1c(OC)cc(C(=O)OC)cc1[N+](=O)[O-] ZINC001226360937 941993435 /nfs/dbraw/zinc/99/34/35/941993435.db2.gz GQRPYXLFAUTVRV-QMMMGPOBSA-N 0 0 299.279 1.804 20 5 CDBDRN COc1cc(O[C@@H]2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001226578620 942029792 /nfs/dbraw/zinc/02/97/92/942029792.db2.gz KJBZYOGNCATPMS-DTWKUNHWSA-N 0 0 268.269 1.945 20 5 CDBDRN CCOC(=O)[C@H](Oc1cc(OC)c([N+](=O)[O-])cn1)C1CC1 ZINC001226578932 942029875 /nfs/dbraw/zinc/02/98/75/942029875.db2.gz MGPBZNNUMOSHDH-GFCCVEGCSA-N 0 0 296.279 1.719 20 5 CDBDRN CC1=C(Oc2ccc([N+](=O)[O-])nc2)C(=O)O[C@@H]1C ZINC001226708741 942053670 /nfs/dbraw/zinc/05/36/70/942053670.db2.gz CGVNPWMABPEFGP-SSDOTTSWSA-N 0 0 250.210 1.588 20 5 CDBDRN CC[C@@H](O)C(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226809727 942075220 /nfs/dbraw/zinc/07/52/20/942075220.db2.gz HEPOUWFQGVLUIH-MRVPVSSYSA-N 0 0 259.645 1.925 20 5 CDBDRN COC(=O)c1ncccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001226948304 942100183 /nfs/dbraw/zinc/10/01/83/942100183.db2.gz LSPGPWBVVVVGSE-SNVBAGLBSA-N 0 0 266.253 1.302 20 5 CDBDRN COC(=O)[C@@H](Oc1nc(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC001227066475 942127138 /nfs/dbraw/zinc/12/71/38/942127138.db2.gz MPSRYZOQVXJKGK-SSDOTTSWSA-N 0 0 294.185 1.781 20 5 CDBDRN CO[C@@H](C)CCOc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227106119 942133632 /nfs/dbraw/zinc/13/36/32/942133632.db2.gz FNWAQULKBBRDLM-ZETCQYMHSA-N 0 0 271.229 1.702 20 5 CDBDRN O=[N+]([O-])c1ccc2ccccc2c1OC1CS(=O)(=O)C1 ZINC001227215167 942151317 /nfs/dbraw/zinc/15/13/17/942151317.db2.gz YAPUHSVISGILNY-UHFFFAOYSA-N 0 0 293.300 1.924 20 5 CDBDRN COC(=O)[C@@H](Oc1ncc(C)cc1[N+](=O)[O-])C(F)(F)F ZINC001227235076 942154379 /nfs/dbraw/zinc/15/43/79/942154379.db2.gz OJYVCVUIRIHMRW-SSDOTTSWSA-N 0 0 294.185 1.781 20 5 CDBDRN C[C@@H](CON)Oc1ncnc2cc(Cl)c([N+](=O)[O-])cc21 ZINC001227364735 942169978 /nfs/dbraw/zinc/16/99/78/942169978.db2.gz URGPLGMHIALPGP-LURJTMIESA-N 0 0 298.686 1.849 20 5 CDBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001227464083 942178907 /nfs/dbraw/zinc/17/89/07/942178907.db2.gz WJYPLCLTGDMAHB-MRVPVSSYSA-N 0 0 254.198 1.671 20 5 CDBDRN CC(=O)N1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987936 942252535 /nfs/dbraw/zinc/25/25/35/942252535.db2.gz MWEQZXCRQFCSBT-NSHDSACASA-N 0 0 265.269 1.380 20 5 CDBDRN Cc1cc(O[C@H](C[N+](=O)[O-])c2cccnc2)nc(C)n1 ZINC001228140125 942273784 /nfs/dbraw/zinc/27/37/84/942273784.db2.gz FDFBMPCHKAGYBU-GFCCVEGCSA-N 0 0 274.280 1.885 20 5 CDBDRN CCCOC[C@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228144373 942276121 /nfs/dbraw/zinc/27/61/21/942276121.db2.gz SUIYBPARTRPUGQ-ZETCQYMHSA-N 0 0 257.246 1.284 20 5 CDBDRN Cc1c(C)c(O[C@@H](C[N+](=O)[O-])C2CC2)n[nH]c1=O ZINC001228154724 942277300 /nfs/dbraw/zinc/27/73/00/942277300.db2.gz OAAZJQIRWKJXFJ-VIFPVBQESA-N 0 0 253.258 1.233 20 5 CDBDRN CC[C@H](O)C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001228230724 942282708 /nfs/dbraw/zinc/28/27/08/942282708.db2.gz UOSGFAINWJROLU-JTQLQIEISA-N 0 0 253.254 1.888 20 5 CDBDRN C[C@H](Oc1nccnc1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC001228280441 942289261 /nfs/dbraw/zinc/28/92/61/942289261.db2.gz YETJZLPZMMTEMV-QMMMGPOBSA-N 0 0 288.263 1.624 20 5 CDBDRN O=[N+]([O-])C[C@H](Oc1[nH]c(=S)nc2[nH]ccc21)C1CC1 ZINC001228528061 942331112 /nfs/dbraw/zinc/33/11/12/942331112.db2.gz CPNVDYFNAHAMND-QMMMGPOBSA-N 0 0 280.309 1.681 20 5 CDBDRN CCOC(=O)[C@H]1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228655832 942349137 /nfs/dbraw/zinc/34/91/37/942349137.db2.gz WJZMSUPKJNWTBJ-VHSXEESVSA-N 0 0 295.295 1.886 20 5 CDBDRN CO[C@H](C)CO[C@@H](C)COc1ncncc1[N+](=O)[O-] ZINC001228659328 942349963 /nfs/dbraw/zinc/34/99/63/942349963.db2.gz JEPRLSRHCDIPHA-BDAKNGLRSA-N 0 0 271.273 1.204 20 5 CDBDRN O=[N+]([O-])C[C@@H](Oc1cnccc1[N+](=O)[O-])c1cccnc1 ZINC001228880441 942387428 /nfs/dbraw/zinc/38/74/28/942387428.db2.gz VCDUPDSBSUQWEJ-GFCCVEGCSA-N 0 0 290.235 1.782 20 5 CDBDRN CC1(C)COC(=O)[C@@H]1Oc1cnccc1[N+](=O)[O-] ZINC001228879234 942387840 /nfs/dbraw/zinc/38/78/40/942387840.db2.gz DHSPOWASGCDEFY-VIFPVBQESA-N 0 0 252.226 1.320 20 5 CDBDRN COC(=O)[C@@H](Oc1cnccc1[N+](=O)[O-])C(F)(F)F ZINC001228880196 942387856 /nfs/dbraw/zinc/38/78/56/942387856.db2.gz QXPOHEDOUSDUJQ-SSDOTTSWSA-N 0 0 280.158 1.473 20 5 CDBDRN COC(=O)c1c(OC[C@@H]2COCO2)cccc1[N+](=O)[O-] ZINC001229045360 942411735 /nfs/dbraw/zinc/41/17/35/942411735.db2.gz MNWGDRNCLOWLSQ-QMMMGPOBSA-N 0 0 283.236 1.133 20 5 CDBDRN CC1(C)COC(=O)[C@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC000725330851 942422696 /nfs/dbraw/zinc/42/26/96/942422696.db2.gz KMFYDOFCGFJADR-SECBINFHSA-N 0 0 252.226 1.320 20 5 CDBDRN Cc1nc(OC2CC(F)(F)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229381665 942461664 /nfs/dbraw/zinc/46/16/64/942461664.db2.gz OJBWEWXRZKMVNK-UHFFFAOYSA-N 0 0 261.184 1.575 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1)ncnc2OC[C@@H]1COCO1 ZINC001229399155 942465252 /nfs/dbraw/zinc/46/52/52/942465252.db2.gz GEQYXXHNWRCAJN-VIFPVBQESA-N 0 0 277.236 1.290 20 5 CDBDRN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H](C)CON ZINC001229899250 942551081 /nfs/dbraw/zinc/55/10/81/942551081.db2.gz JYXWVHHYSRQZPN-QMMMGPOBSA-N 0 0 284.268 1.347 20 5 CDBDRN 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CS(=O)(=O)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000349863403 154246105 /nfs/dbraw/zinc/24/61/05/154246105.db2.gz JBCTZUZYMKMQRM-UHFFFAOYSA-N 0 0 283.265 1.189 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CSCC(=O)OC(C)(C)C ZINC000350017530 154307772 /nfs/dbraw/zinc/30/77/72/154307772.db2.gz JNTDNEKZUFKLSN-UHFFFAOYSA-N 0 0 287.341 1.903 20 5 CDBDRN COCCOCCSCc1c([N+](=O)[O-])ncn1C ZINC000350712859 154432821 /nfs/dbraw/zinc/43/28/21/154432821.db2.gz OYECZTSTXQCYRB-UHFFFAOYSA-N 0 0 275.330 1.225 20 5 CDBDRN COc1cccc(N2CCN3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000364898405 286457167 /nfs/dbraw/zinc/45/71/67/286457167.db2.gz SCGMKIDMECCSJP-SECBINFHSA-N 0 0 293.279 1.244 20 5 CDBDRN COc1cc(CN2CCNC(=O)C2(C)C)ccc1[N+](=O)[O-] ZINC000351923252 154823439 /nfs/dbraw/zinc/82/34/39/154823439.db2.gz RZISLMPPCCSTOO-UHFFFAOYSA-N 0 0 293.323 1.314 20 5 CDBDRN CO[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000352332026 155100476 /nfs/dbraw/zinc/10/04/76/155100476.db2.gz WYPGHGGCHAZEMP-ZDUSSCGKSA-N 0 0 295.339 1.794 20 5 CDBDRN CN(CCC(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000353256120 155742259 /nfs/dbraw/zinc/74/22/59/155742259.db2.gz HCEXEDPCWLVEAY-UHFFFAOYSA-N 0 0 284.247 1.073 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000375386359 160375223 /nfs/dbraw/zinc/37/52/23/160375223.db2.gz HDRBQZIJVHYSGJ-CMPLNLGQSA-N 0 0 280.328 1.472 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000375386362 160375441 /nfs/dbraw/zinc/37/54/41/160375441.db2.gz HDRBQZIJVHYSGJ-ZYHUDNBSSA-N 0 0 280.328 1.472 20 5 CDBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[C@H](C)O ZINC000353675762 156004880 /nfs/dbraw/zinc/00/48/80/156004880.db2.gz HVOZLEREGGHUIQ-SFYZADRCSA-N 0 0 255.274 1.060 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H](CO)c2ccccc21 ZINC000353799340 156092749 /nfs/dbraw/zinc/09/27/49/156092749.db2.gz VZNWDEWSALCTPB-VIFPVBQESA-N 0 0 288.259 1.924 20 5 CDBDRN Cn1c(CNc2ccc([N+](=O)[O-])cn2)nnc1C1CC1 ZINC000354064787 156249734 /nfs/dbraw/zinc/24/97/34/156249734.db2.gz JUSZYEKJMZSECQ-UHFFFAOYSA-N 0 0 274.284 1.608 20 5 CDBDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354102320 156270336 /nfs/dbraw/zinc/27/03/36/156270336.db2.gz ZPLQWPSACHUITC-QMMMGPOBSA-N 0 0 290.279 1.857 20 5 CDBDRN CCC(CC)[C@@H](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)OC ZINC000354223856 156334731 /nfs/dbraw/zinc/33/47/31/156334731.db2.gz ULHFDSRPQMRCPJ-LLVKDONJSA-N 0 0 298.343 1.889 20 5 CDBDRN C[C@@H]1C[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000354266918 156358578 /nfs/dbraw/zinc/35/85/78/156358578.db2.gz QDDIMEWWTJXSKM-ZJUUUORDSA-N 0 0 296.298 1.967 20 5 CDBDRN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000354268992 156360111 /nfs/dbraw/zinc/36/01/11/156360111.db2.gz OMHLESCBVXERND-UHFFFAOYSA-N 0 0 268.244 1.329 20 5 CDBDRN COc1c(C(=O)Nc2ccncc2C)cccc1[N+](=O)[O-] ZINC000355790324 157236136 /nfs/dbraw/zinc/23/61/36/157236136.db2.gz HLTZLHKMFWLQNC-UHFFFAOYSA-N 0 0 287.275 1.981 20 5 CDBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnccn1 ZINC000355917817 157284390 /nfs/dbraw/zinc/28/43/90/157284390.db2.gz SUZJTIZXGCJQNG-UHFFFAOYSA-N 0 0 286.291 1.700 20 5 CDBDRN CCOC(=O)[C@@H](CC)SCc1c([N+](=O)[O-])ncn1C ZINC000356598677 157520235 /nfs/dbraw/zinc/52/02/35/157520235.db2.gz PRBILFJEPGXJRQ-SECBINFHSA-N 0 0 287.341 1.903 20 5 CDBDRN COc1c(C(=O)N2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000356604557 157521769 /nfs/dbraw/zinc/52/17/69/157521769.db2.gz GWXVKODDNXBVRM-KCJUWKMLSA-N 0 0 280.280 1.056 20 5 CDBDRN COCCC(C)(C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357440598 157749721 /nfs/dbraw/zinc/74/97/21/157749721.db2.gz KWMFZTHJZPXNLG-UHFFFAOYSA-N 0 0 282.300 1.316 20 5 CDBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000357734916 157802418 /nfs/dbraw/zinc/80/24/18/157802418.db2.gz RYMXMFBCULKZSL-QMMMGPOBSA-N 0 0 268.294 1.688 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCO)cc1 ZINC000357976350 157850622 /nfs/dbraw/zinc/85/06/22/157850622.db2.gz JSKFAEPOUKSWFD-UHFFFAOYSA-N 0 0 290.279 1.115 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCC[S@](C)=O)n1 ZINC000359101820 158127337 /nfs/dbraw/zinc/12/73/37/158127337.db2.gz RXEFFBRCABJNHZ-SFHVURJKSA-N 0 0 271.342 1.787 20 5 CDBDRN CCCNC(=O)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359274141 158192458 /nfs/dbraw/zinc/19/24/58/158192458.db2.gz ATWYNISKUAGIIR-UHFFFAOYSA-N 0 0 293.323 1.549 20 5 CDBDRN CO[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359463044 158254866 /nfs/dbraw/zinc/25/48/66/158254866.db2.gz AEHXVAVRUUHLDG-AWEZNQCLSA-N 0 0 294.307 1.439 20 5 CDBDRN CN(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000359494532 158264690 /nfs/dbraw/zinc/26/46/90/158264690.db2.gz ACBKDNDIJQCROJ-UHFFFAOYSA-N 0 0 290.283 1.042 20 5 CDBDRN COc1cc(C(=O)NCC2(O)CCC2)cc([N+](=O)[O-])c1C ZINC000359516345 158272185 /nfs/dbraw/zinc/27/21/85/158272185.db2.gz UVYJEVGTGPDEHY-UHFFFAOYSA-N 0 0 294.307 1.557 20 5 CDBDRN CO[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000359533522 158278918 /nfs/dbraw/zinc/27/89/18/158278918.db2.gz XJTSUGGTUSIDDV-DTWKUNHWSA-N 0 0 282.300 1.314 20 5 CDBDRN CCn1nc(C)c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1C ZINC000359574889 158292661 /nfs/dbraw/zinc/29/26/61/158292661.db2.gz ATTKRGDGJGPEEZ-UHFFFAOYSA-N 0 0 292.299 1.263 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(CC1CC1)CC1CC1 ZINC000359665357 158328988 /nfs/dbraw/zinc/32/89/88/158328988.db2.gz KOTHFTRHVPQWIS-UHFFFAOYSA-N 0 0 292.339 1.830 20 5 CDBDRN COC1CCC(C)(CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000359829832 158392408 /nfs/dbraw/zinc/39/24/08/158392408.db2.gz IXKNTPSWSGOMRR-UHFFFAOYSA-N 0 0 295.343 1.805 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](OCCO)C1 ZINC000360897574 158666217 /nfs/dbraw/zinc/66/62/17/158666217.db2.gz SODVCSINFJSUKV-LLVKDONJSA-N 0 0 298.343 1.097 20 5 CDBDRN CO[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000360968287 158687622 /nfs/dbraw/zinc/68/76/22/158687622.db2.gz FXNHPNQTZWCFLK-LLVKDONJSA-N 0 0 294.307 1.611 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[C@@H](C)O ZINC000360997448 158696748 /nfs/dbraw/zinc/69/67/48/158696748.db2.gz VURCHMMBTKTDNE-DTWKUNHWSA-N 0 0 270.333 1.939 20 5 CDBDRN COC(=O)C[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000362275387 159111576 /nfs/dbraw/zinc/11/15/76/159111576.db2.gz FCDMHQDIPMHTKK-AWEZNQCLSA-N 0 0 294.307 1.407 20 5 CDBDRN O=C1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CN1 ZINC000362650330 159203833 /nfs/dbraw/zinc/20/38/33/159203833.db2.gz RHRZCPYCWGGCFL-ZCFIWIBFSA-N 0 0 287.222 1.497 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c1[N+](=O)[O-] ZINC000363912567 159353087 /nfs/dbraw/zinc/35/30/87/159353087.db2.gz UIWTXPWBSRWMCJ-SZEHBUNVSA-N 0 0 294.311 1.178 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCOCC1 ZINC000367908494 159555959 /nfs/dbraw/zinc/55/59/59/159555959.db2.gz VMCBXSRTSZTQRK-UHFFFAOYSA-N 0 0 265.269 1.040 20 5 CDBDRN CN1CCOc2ccc(Nc3ncc([N+](=O)[O-])cn3)cc21 ZINC000373394517 160196971 /nfs/dbraw/zinc/19/69/71/160196971.db2.gz UMDKMGJKXAFUIU-UHFFFAOYSA-N 0 0 287.279 1.957 20 5 CDBDRN O=C(N[C@H]1CCO[C@@H]1C1CC1)c1csc([N+](=O)[O-])c1 ZINC000374391869 160282146 /nfs/dbraw/zinc/28/21/46/160282146.db2.gz YZMBLCVAPUICQV-GXSJLCMTSA-N 0 0 282.321 1.954 20 5 CDBDRN COCC[C@@H]1CCCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375113823 160346466 /nfs/dbraw/zinc/34/64/66/160346466.db2.gz KAWHJGKETSJJOU-LBPRGKRZSA-N 0 0 296.371 1.967 20 5 CDBDRN Cc1c(NC(=O)c2cc(C(N)=O)c[nH]2)cccc1[N+](=O)[O-] ZINC000175715472 163753968 /nfs/dbraw/zinc/75/39/68/163753968.db2.gz YXBWBJOTULPJCR-UHFFFAOYSA-N 0 0 288.263 1.583 20 5 CDBDRN C[C@@H]1C(=O)N(C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000302437499 287173850 /nfs/dbraw/zinc/17/38/50/287173850.db2.gz PTQALZDFCPBGSC-MRVPVSSYSA-N 0 0 283.715 1.915 20 5 CDBDRN COC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005674635 170126978 /nfs/dbraw/zinc/12/69/78/170126978.db2.gz AFQMTLSTFSQLED-SSDOTTSWSA-N 0 0 283.240 1.268 20 5 CDBDRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000006120440 170177744 /nfs/dbraw/zinc/17/77/44/170177744.db2.gz QGDDHXZKYLZVCP-QWRGUYRKSA-N 0 0 293.323 1.546 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C(C)C)c1 ZINC000284319483 196028988 /nfs/dbraw/zinc/02/89/88/196028988.db2.gz HVPMZTMFAGXOPO-GFCCVEGCSA-N 0 0 296.323 1.740 20 5 CDBDRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CC1 ZINC000006536481 170211401 /nfs/dbraw/zinc/21/14/01/170211401.db2.gz FDOIYBTZPBHWRT-UHFFFAOYSA-N 0 0 270.672 1.906 20 5 CDBDRN NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020294686 171135401 /nfs/dbraw/zinc/13/54/01/171135401.db2.gz QPMWVUZIOJJJNN-SECBINFHSA-N 0 0 297.698 1.338 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NOCC(C)(C)O ZINC000284624070 196098670 /nfs/dbraw/zinc/09/86/70/196098670.db2.gz DHLVETIDDSXAEC-UHFFFAOYSA-N 0 0 299.283 1.427 20 5 CDBDRN Cc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000284737346 196121188 /nfs/dbraw/zinc/12/11/88/196121188.db2.gz DDWQACHFXFPIFL-MWLCHTKSSA-N 0 0 291.307 1.097 20 5 CDBDRN CC[C@@H]1CO[C@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000268000598 287257261 /nfs/dbraw/zinc/25/72/61/287257261.db2.gz BOHJBZYVJGVXLV-RKDXNWHRSA-N 0 0 254.290 1.332 20 5 CDBDRN Cn1cccc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285031092 196182075 /nfs/dbraw/zinc/18/20/75/196182075.db2.gz OXZVHUSACFNSTJ-LLVKDONJSA-N 0 0 289.295 1.634 20 5 CDBDRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCO ZINC000035188542 172043161 /nfs/dbraw/zinc/04/31/61/172043161.db2.gz CAEHKSYHSCEPKN-AATRIKPKSA-N 0 0 250.254 1.107 20 5 CDBDRN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1Cc2ccccc2C1 ZINC000285232751 196227632 /nfs/dbraw/zinc/22/76/32/196227632.db2.gz XWNFMNUPKIPICN-UHFFFAOYSA-N 0 0 286.291 1.557 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1)N(CCO)C1CC1 ZINC000036130231 172452052 /nfs/dbraw/zinc/45/20/52/172452052.db2.gz GZBGPBHWPHSSHC-UHFFFAOYSA-N 0 0 250.254 1.192 20 5 CDBDRN CCCc1[nH]nc(C(=O)Nc2nncn2CC)c1[N+](=O)[O-] ZINC000285771701 196394512 /nfs/dbraw/zinc/39/45/12/196394512.db2.gz LEMJHMARVZFEDT-UHFFFAOYSA-N 0 0 293.287 1.134 20 5 CDBDRN CC[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037981362 173941028 /nfs/dbraw/zinc/94/10/28/173941028.db2.gz PXEJMOYTVJRJQM-QMMMGPOBSA-N 0 0 272.688 1.749 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@@H]2COCCO2)c2ncccc12 ZINC000038062126 174073131 /nfs/dbraw/zinc/07/31/31/174073131.db2.gz AOMOSMKZKSODPB-SNVBAGLBSA-N 0 0 289.291 1.970 20 5 CDBDRN C[C@@H](O)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713388 174381572 /nfs/dbraw/zinc/38/15/72/174381572.db2.gz QAUYVNXQKDNGRA-RXMQYKEDSA-N 0 0 276.090 1.545 20 5 CDBDRN CN(CCO)c1ncc(Br)cc1[N+](=O)[O-] ZINC000040713486 174381655 /nfs/dbraw/zinc/38/16/55/174381655.db2.gz UXIPWLCWVRMIDW-UHFFFAOYSA-N 0 0 276.090 1.181 20 5 CDBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1nc[nH]n1 ZINC000042371384 174701726 /nfs/dbraw/zinc/70/17/26/174701726.db2.gz GKLROKDTXFIAAZ-UHFFFAOYSA-N 0 0 299.088 1.483 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000286301912 196560262 /nfs/dbraw/zinc/56/02/62/196560262.db2.gz DRESYBBUCKIZQB-ZJUUUORDSA-N 0 0 266.301 1.476 20 5 CDBDRN C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000044415538 175172825 /nfs/dbraw/zinc/17/28/25/175172825.db2.gz CLZXNSLCPHGXJF-VIFPVBQESA-N 0 0 252.270 1.747 20 5 CDBDRN Cc1cc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])no1 ZINC000044725789 175238103 /nfs/dbraw/zinc/23/81/03/175238103.db2.gz FWLRTDBHTSKQPW-UHFFFAOYSA-N 0 0 279.227 1.960 20 5 CDBDRN CO[C@@H](C)CN(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000286334432 196571127 /nfs/dbraw/zinc/57/11/27/196571127.db2.gz JHLMBHXRYSMCBG-VIFPVBQESA-N 0 0 298.343 1.292 20 5 CDBDRN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286346577 196574876 /nfs/dbraw/zinc/57/48/76/196574876.db2.gz ZPXUHMGAXJGDSD-PSASIEDQSA-N 0 0 279.296 1.028 20 5 CDBDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ncc[nH]1 ZINC000070990043 176019130 /nfs/dbraw/zinc/01/91/30/176019130.db2.gz JWXAWGFPSXGWGL-AATRIKPKSA-N 0 0 272.264 1.648 20 5 CDBDRN CCC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000286409892 196594588 /nfs/dbraw/zinc/59/45/88/196594588.db2.gz NUWXGTYMKUQIFN-ZETCQYMHSA-N 0 0 272.692 1.709 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C1CC1 ZINC000071299417 176113178 /nfs/dbraw/zinc/11/31/78/176113178.db2.gz JYDLCWAUGHHPOE-GFCCVEGCSA-N 0 0 264.281 1.024 20 5 CDBDRN COc1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000076358411 177000403 /nfs/dbraw/zinc/00/04/03/177000403.db2.gz DQZNGJPULNWXAA-UWVGGRQHSA-N 0 0 294.307 1.853 20 5 CDBDRN C[S@](=O)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000076772795 177087432 /nfs/dbraw/zinc/08/74/32/177087432.db2.gz RGNBUDSANTXZMK-LJQANCHMSA-N 0 0 285.325 1.485 20 5 CDBDRN Cc1nnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C)[nH]1 ZINC000286570310 196643897 /nfs/dbraw/zinc/64/38/97/196643897.db2.gz QGRBZFASECDABS-ZETCQYMHSA-N 0 0 262.273 1.898 20 5 CDBDRN CC(C)C[C@@H](C)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000077250541 177239540 /nfs/dbraw/zinc/23/95/40/177239540.db2.gz TZFBOXVINPWKDU-SECBINFHSA-N 0 0 269.305 1.079 20 5 CDBDRN C[C@@H](CCO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000077987776 177314993 /nfs/dbraw/zinc/31/49/93/177314993.db2.gz IWBFXAHDAVDTIQ-QMMMGPOBSA-N 0 0 288.325 1.181 20 5 CDBDRN O=[N+]([O-])c1cnn(Cc2nnc(-c3ccco3)o2)c1 ZINC000078387100 177336555 /nfs/dbraw/zinc/33/65/55/177336555.db2.gz RXOJOMSZAWGYKS-UHFFFAOYSA-N 0 0 261.197 1.483 20 5 CDBDRN CCOc1ccc(C(=O)N2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000078763022 177383703 /nfs/dbraw/zinc/38/37/03/177383703.db2.gz CINCQKCZHVDTRQ-NSHDSACASA-N 0 0 294.307 1.590 20 5 CDBDRN Cc1n[nH]c(C)c1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000078806380 177391146 /nfs/dbraw/zinc/39/11/46/177391146.db2.gz PYCHWONPHJIGBR-UHFFFAOYSA-N 0 0 264.289 1.589 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000408365753 304503028 /nfs/dbraw/zinc/50/30/28/304503028.db2.gz SUHCHYWVBHNPOY-WDEREUQCSA-N 0 0 297.336 1.269 20 5 CDBDRN C[C@H](C[S@@](C)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000185052499 270255069 /nfs/dbraw/zinc/25/50/69/270255069.db2.gz ZTWGQXOMNMJWIV-IPFLLRFRSA-N 0 0 296.348 1.491 20 5 CDBDRN C[C@H](NC(=O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000055464492 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O=c1[nH]cnc2c1CCN(c1ncccc1[N+](=O)[O-])C2 ZINC000561775008 293102831 /nfs/dbraw/zinc/10/28/31/293102831.db2.gz JZCHMCCRWBWBRF-UHFFFAOYSA-N 0 0 273.252 1.048 20 5 CDBDRN Cn1cnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000562186586 293116966 /nfs/dbraw/zinc/11/69/66/293116966.db2.gz ODPZAEZMUOZWDX-UHFFFAOYSA-N 0 0 281.659 1.629 20 5 CDBDRN Cc1nc(N2C[C@H](C)O[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000450472185 293305623 /nfs/dbraw/zinc/30/56/23/293305623.db2.gz LHDJILRCYBYDFS-SFGNSQDASA-N 0 0 266.301 1.695 20 5 CDBDRN CC(C)n1cc(NC(=O)Nc2ccncc2[N+](=O)[O-])cn1 ZINC000565168678 293540101 /nfs/dbraw/zinc/54/01/01/293540101.db2.gz GHADUZORJSWSIV-UHFFFAOYSA-N 0 0 290.283 1.833 20 5 CDBDRN CCO[C@H]1C[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567318893 293757847 /nfs/dbraw/zinc/75/78/47/293757847.db2.gz YUTWGLSQGIFKIL-STQMWFEESA-N 0 0 289.291 1.983 20 5 CDBDRN CC[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000568374089 294023273 /nfs/dbraw/zinc/02/32/73/294023273.db2.gz 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/nfs/dbraw/zinc/21/02/84/372210284.db2.gz RGPDFRDJXKAFOB-UHFFFAOYSA-N 0 0 292.247 1.832 20 5 CDBDRN CC1CC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332507515 204766112 /nfs/dbraw/zinc/76/61/12/204766112.db2.gz YZHMSARFYXVSAK-UHFFFAOYSA-N 0 0 284.337 1.813 20 5 CDBDRN O=C(NC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000356459207 372860153 /nfs/dbraw/zinc/86/01/53/372860153.db2.gz RHSZJAXESOKJAH-UHFFFAOYSA-N 0 0 284.699 1.893 20 5 CDBDRN C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356461432 372860737 /nfs/dbraw/zinc/86/07/37/372860737.db2.gz PJMRHTGHJRCOKR-NXEZZACHSA-N 0 0 280.328 1.884 20 5 CDBDRN COC(=O)[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])[C@H]1C ZINC000344986193 284371887 /nfs/dbraw/zinc/37/18/87/284371887.db2.gz LKXKSAXOVGBCDP-UWVGGRQHSA-N 0 0 294.307 1.991 20 5 CDBDRN CCC[C@](C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356687005 373013056 /nfs/dbraw/zinc/01/30/56/373013056.db2.gz YNLQPJMMUHUFRP-CQSZACIVSA-N 0 0 296.323 1.884 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H](O)C1CCC1 ZINC000456870304 252456325 /nfs/dbraw/zinc/45/63/25/252456325.db2.gz OYNSHCJYECYCLX-CYBMUJFWSA-N 0 0 296.298 1.554 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnns1 ZINC000191283338 373474265 /nfs/dbraw/zinc/47/42/65/373474265.db2.gz VDNVLGBBNOVKCA-UHFFFAOYSA-N 0 0 280.265 1.464 20 5 CDBDRN Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000191764101 373534866 /nfs/dbraw/zinc/53/48/66/373534866.db2.gz SGZAXOMMMFJIBK-JTQLQIEISA-N 0 0 291.307 1.254 20 5 CDBDRN CC[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000130758481 373512082 /nfs/dbraw/zinc/51/20/82/373512082.db2.gz QMHWUXZEVHRTKW-VIFPVBQESA-N 0 0 252.274 1.050 20 5 CDBDRN CNc1c(C(=O)Nc2nncs2)cccc1[N+](=O)[O-] ZINC000130774207 373520260 /nfs/dbraw/zinc/52/02/60/373520260.db2.gz WBMQPRGTVWRTRK-UHFFFAOYSA-N 0 0 279.281 1.740 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000053836447 373483203 /nfs/dbraw/zinc/48/32/03/373483203.db2.gz SFRLHBMSUBDYSX-JTQLQIEISA-N 0 0 289.295 1.372 20 5 CDBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCO)cc1OC ZINC000298434370 373599753 /nfs/dbraw/zinc/59/97/53/373599753.db2.gz KXEXHQOHCCFRKG-UHFFFAOYSA-N 0 0 298.295 1.114 20 5 CDBDRN CNC(=O)[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000273222299 373718108 /nfs/dbraw/zinc/71/81/08/373718108.db2.gz QOOPSWMRSIJKPE-NSHDSACASA-N 0 0 299.714 1.199 20 5 CDBDRN CNc1ccc(C(=O)N[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000219940099 373860446 /nfs/dbraw/zinc/86/04/46/373860446.db2.gz RBJSQCGXZRDXBD-GXSJLCMTSA-N 0 0 293.323 1.934 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCO1 ZINC000151323156 373978628 /nfs/dbraw/zinc/97/86/28/373978628.db2.gz UBIUNRLKXAKKRF-LBPRGKRZSA-N 0 0 264.281 1.433 20 5 CDBDRN C[C@H](O)CC(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000266552530 373978967 /nfs/dbraw/zinc/97/89/67/373978967.db2.gz NMOMMOLCCNGSLL-JTQLQIEISA-N 0 0 298.343 1.095 20 5 CDBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000274023840 374071832 /nfs/dbraw/zinc/07/18/32/374071832.db2.gz LXQLPHMDWVHGBK-UPJWGTAASA-N 0 0 294.307 1.517 20 5 CDBDRN COC(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000298809131 374212750 /nfs/dbraw/zinc/21/27/50/374212750.db2.gz HZOUXVBMTKPZRV-UHFFFAOYSA-N 0 0 285.231 1.371 20 5 CDBDRN C[C@@H](N[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000020085148 374216371 /nfs/dbraw/zinc/21/63/71/374216371.db2.gz WFYOKBUTIHZEFW-LDYMZIIASA-N 0 0 250.254 1.561 20 5 CDBDRN CN(CC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000298817258 374218052 /nfs/dbraw/zinc/21/80/52/374218052.db2.gz WRBKTRCHLXDNRH-UHFFFAOYSA-N 0 0 264.281 1.842 20 5 CDBDRN CC[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269742684 374244255 /nfs/dbraw/zinc/24/42/55/374244255.db2.gz WGCFRGARKVLFLU-MNOVXSKESA-N 0 0 295.339 1.697 20 5 CDBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nncn1C ZINC000298979658 374281971 /nfs/dbraw/zinc/28/19/71/374281971.db2.gz HHGGJNLZEFGAGS-SSDOTTSWSA-N 0 0 293.258 1.353 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC(n3cncn3)C2)c(Cl)c1 ZINC000368628979 374321715 /nfs/dbraw/zinc/32/17/15/374321715.db2.gz VHLXPUSDGKDKBV-UHFFFAOYSA-N 0 0 280.675 1.296 20 5 CDBDRN CCOC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421787873 374332293 /nfs/dbraw/zinc/33/22/93/374332293.db2.gz VVUSIJIFUOKVAV-NSHDSACASA-N 0 0 296.323 1.339 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCNC1=O ZINC000421790799 374332465 /nfs/dbraw/zinc/33/24/65/374332465.db2.gz GEGLNJYQIVEXOA-NSHDSACASA-N 0 0 291.307 1.172 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2C[C@@H](O)C2)c1 ZINC000421842513 374336718 /nfs/dbraw/zinc/33/67/18/374336718.db2.gz KZLAZRWZEZEPNI-WAAGHKOSSA-N 0 0 281.264 1.531 20 5 CDBDRN CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000422034763 374345862 /nfs/dbraw/zinc/34/58/62/374345862.db2.gz JZDGEGIYQPUFKH-LLVKDONJSA-N 0 0 293.323 1.467 20 5 CDBDRN CC[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000115307135 374398623 /nfs/dbraw/zinc/39/86/23/374398623.db2.gz RWSKECPHNLHVLN-LLVKDONJSA-N 0 0 264.281 1.846 20 5 CDBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccncc1 ZINC000067285088 374404103 /nfs/dbraw/zinc/40/41/03/374404103.db2.gz KDBBQNGSGSHWDC-UHFFFAOYSA-N 0 0 286.291 1.718 20 5 CDBDRN O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000371209583 374412265 /nfs/dbraw/zinc/41/22/65/374412265.db2.gz UWHFULUCQJANEF-KCJUWKMLSA-N 0 0 282.321 1.954 20 5 CDBDRN CC1(C)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000299121870 374416864 /nfs/dbraw/zinc/41/68/64/374416864.db2.gz LDNMZHQAVSABLQ-LLVKDONJSA-N 0 0 264.281 1.888 20 5 CDBDRN Cc1cc(N(C)CC(C)(C)CO)ncc1[N+](=O)[O-] ZINC000296184515 374425904 /nfs/dbraw/zinc/42/59/04/374425904.db2.gz DCKZDTWFSUHTTM-UHFFFAOYSA-N 0 0 253.302 1.753 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1C1CCC1 ZINC000425486420 374441855 /nfs/dbraw/zinc/44/18/55/374441855.db2.gz YXUQVKSSRAWWBN-NWDGAFQWSA-N 0 0 293.327 1.279 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ncc[nH]1 ZINC000080587444 374472315 /nfs/dbraw/zinc/47/23/15/374472315.db2.gz YHEJHYBTHMOJBA-UHFFFAOYSA-N 0 0 260.253 1.556 20 5 CDBDRN COc1cc(NCCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000080590221 374473964 /nfs/dbraw/zinc/47/39/64/374473964.db2.gz FPSWIUOJADZGMO-UHFFFAOYSA-N 0 0 263.257 1.376 20 5 CDBDRN CN1CC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299227307 374580295 /nfs/dbraw/zinc/58/02/95/374580295.db2.gz DYAALCWPDXCOIJ-JTQLQIEISA-N 0 0 287.222 1.256 20 5 CDBDRN Cc1c(CS(=O)(=O)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000424207837 246387142 /nfs/dbraw/zinc/38/71/42/246387142.db2.gz PDYFJIGGNRKNSU-LLVKDONJSA-N 0 0 285.321 1.607 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccon1 ZINC000351948580 374696886 /nfs/dbraw/zinc/69/68/86/374696886.db2.gz GIBJMMRRJPYMBN-ZCFIWIBFSA-N 0 0 277.240 1.051 20 5 CDBDRN COC(=O)[C@H](C)CN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000070497000 374664392 /nfs/dbraw/zinc/66/43/92/374664392.db2.gz QBMYTLZCRDJLNT-SECBINFHSA-N 0 0 267.285 1.544 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCOC[C@@H]2C[C@H](C)O)c1 ZINC000274260612 374672218 /nfs/dbraw/zinc/67/22/18/374672218.db2.gz BJBYLAGMHRWIOL-RYUDHWBXSA-N 0 0 280.324 1.879 20 5 CDBDRN O=c1cnccn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336786922 374674169 /nfs/dbraw/zinc/67/41/69/374674169.db2.gz JRTCZOBNMSNKGR-UHFFFAOYSA-N 0 0 265.656 1.853 20 5 CDBDRN Cc1nn(C)cc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000274713990 374681241 /nfs/dbraw/zinc/68/12/41/374681241.db2.gz AQXIKLCNULOCLN-UHFFFAOYSA-N 0 0 280.309 1.628 20 5 CDBDRN CCOCCNC(=O)COc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276918382 374758104 /nfs/dbraw/zinc/75/81/04/374758104.db2.gz XIBSBLZHCADLNV-UHFFFAOYSA-N 0 0 298.295 1.135 20 5 CDBDRN COC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)O1 ZINC000276045610 374707820 /nfs/dbraw/zinc/70/78/20/374707820.db2.gz PZQFLNXWPIHBST-CMPLNLGQSA-N 0 0 296.323 1.844 20 5 CDBDRN Cc1cc(N[C@H](CO)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000447808848 374713225 /nfs/dbraw/zinc/71/32/25/374713225.db2.gz WRTOOAPKWQMUMM-YPMHNXCESA-N 0 0 266.297 1.855 20 5 CDBDRN CCO[C@@H](C)c1nccn1CCn1cc([N+](=O)[O-])cn1 ZINC000124117187 374735012 /nfs/dbraw/zinc/73/50/12/374735012.db2.gz UCXGKYLDKBWCTF-JTQLQIEISA-N 0 0 279.300 1.786 20 5 CDBDRN CC(=O)c1ccc(N2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000276666130 374741442 /nfs/dbraw/zinc/74/14/42/374741442.db2.gz DEAQDUCTMFZLQT-SKDRFNHKSA-N 0 0 278.308 1.862 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CO ZINC000277751016 374809078 /nfs/dbraw/zinc/80/90/78/374809078.db2.gz JLNATFKZRVNSIJ-LURJTMIESA-N 0 0 288.687 1.828 20 5 CDBDRN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277201774 374778000 /nfs/dbraw/zinc/77/80/00/374778000.db2.gz MQPKQJPXHZHLSE-JEOXALJRSA-N 0 0 282.365 1.938 20 5 CDBDRN O=C1[C@H]2CCCN2C(=O)N1c1ccc([N+](=O)[O-])cc1F ZINC000277547766 374793568 /nfs/dbraw/zinc/79/35/68/374793568.db2.gz ZOQQRCASWAZILV-SNVBAGLBSA-N 0 0 279.227 1.665 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN2C[C@@H](O)Cc3ccccc32)c1 ZINC000278922035 374868836 /nfs/dbraw/zinc/86/88/36/374868836.db2.gz RQCGDURNQWRVDG-ZDUSSCGKSA-N 0 0 288.307 1.215 20 5 CDBDRN CO[C@@]1(C)CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000279381300 374892337 /nfs/dbraw/zinc/89/23/37/374892337.db2.gz IFYORCZHQFGDOP-ZDUSSCGKSA-N 0 0 296.327 1.127 20 5 CDBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331140190 374894848 /nfs/dbraw/zinc/89/48/48/374894848.db2.gz QWQBVAHDXUBYLS-QMMMGPOBSA-N 0 0 296.327 1.298 20 5 CDBDRN COC(=O)C[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120874599 374848093 /nfs/dbraw/zinc/84/80/93/374848093.db2.gz UCJUQAUCPVKMTD-QMMMGPOBSA-N 0 0 266.253 1.733 20 5 CDBDRN CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000330529917 374860627 /nfs/dbraw/zinc/86/06/27/374860627.db2.gz MPPSNVGVNBYGTN-UHFFFAOYSA-N 0 0 283.353 1.824 20 5 CDBDRN COC[C@@H](C)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266734737 374928781 /nfs/dbraw/zinc/92/87/81/374928781.db2.gz DLFVJPVYRLCHDG-LLVKDONJSA-N 0 0 295.339 1.814 20 5 CDBDRN CC(C)(O)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280061222 374980519 /nfs/dbraw/zinc/98/05/19/374980519.db2.gz ZEHLSHZVJDBFKJ-UHFFFAOYSA-N 0 0 273.310 1.530 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1 ZINC000280330512 374992251 /nfs/dbraw/zinc/99/22/51/374992251.db2.gz UTQXEIQMTUWFMG-FZMZJTMJSA-N 0 0 293.323 1.682 20 5 CDBDRN O=[N+]([O-])c1cc(F)cc(OCc2nnc3n2CCOC3)c1 ZINC000280701798 375013603 /nfs/dbraw/zinc/01/36/03/375013603.db2.gz GVCBPZASLRDFQD-UHFFFAOYSA-N 0 0 294.242 1.435 20 5 CDBDRN COCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000020889327 375015652 /nfs/dbraw/zinc/01/56/52/375015652.db2.gz DFHGKFPDLAEZNZ-UHFFFAOYSA-N 0 0 281.312 1.550 20 5 CDBDRN Cc1n[nH]c(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000332686656 375043159 /nfs/dbraw/zinc/04/31/59/375043159.db2.gz KUYOUWFTGZXBHT-ACLDMZEESA-N 0 0 266.301 1.743 20 5 CDBDRN CC(C)(C)n1ncnc1Cn1cc([N+](=O)[O-])cn1 ZINC000282157000 375069794 /nfs/dbraw/zinc/06/97/94/375069794.db2.gz GJCVGKXJLRJYJB-UHFFFAOYSA-N 0 0 250.262 1.186 20 5 CDBDRN CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000282210477 375072066 /nfs/dbraw/zinc/07/20/66/375072066.db2.gz DHMXAZHBZDMDAE-ZDUSSCGKSA-N 0 0 293.323 1.184 20 5 CDBDRN C[S@](=O)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000282348665 375080799 /nfs/dbraw/zinc/08/07/99/375080799.db2.gz XZSBTGLQBPEZPZ-IBGZPJMESA-N 0 0 282.321 1.236 20 5 CDBDRN CO[C@]1(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CCOC1 ZINC000282477472 375087715 /nfs/dbraw/zinc/08/77/15/375087715.db2.gz PVLMKKXJIAXIQD-CYBMUJFWSA-N 0 0 298.270 1.786 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@H](O)C1 ZINC000282983228 375106282 /nfs/dbraw/zinc/10/62/82/375106282.db2.gz FTMYHCKJUBVDIQ-YUMQZZPRSA-N 0 0 297.286 1.207 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000332673100 375043217 /nfs/dbraw/zinc/04/32/17/375043217.db2.gz RFKPNVGQAKTVEP-UHFFFAOYSA-N 0 0 260.200 1.108 20 5 CDBDRN COC[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])OC ZINC000282145352 375066553 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ZINC000882842252 710350417 /nfs/dbraw/zinc/35/04/17/710350417.db2.gz QRVVDYLQLRMQSP-SSDOTTSWSA-N 0 0 266.232 1.927 20 5 CDBDRN CC(C)C1(C(=O)NCCc2ccccc2[N+](=O)[O-])COC1 ZINC000933622502 710356572 /nfs/dbraw/zinc/35/65/72/710356572.db2.gz FWZIGATXYNGTFA-UHFFFAOYSA-N 0 0 292.335 1.926 20 5 CDBDRN CCN(CC(C)=O)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000820453423 710358501 /nfs/dbraw/zinc/35/85/01/710358501.db2.gz HBFIDOVJDWGFKY-UHFFFAOYSA-N 0 0 295.251 1.554 20 5 CDBDRN CO[C@@H](C)c1nc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC000840673637 710359334 /nfs/dbraw/zinc/35/93/34/710359334.db2.gz WMUNQJLXJINUGB-NBEYISGCSA-N 0 0 286.309 1.559 20 5 CDBDRN Cc1c(CNC(=O)N2CC=C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000883643857 710362328 /nfs/dbraw/zinc/36/23/28/710362328.db2.gz WGVYBKYBFGPZOJ-LBPRGKRZSA-N 0 0 291.307 1.346 20 5 CDBDRN CC(C)(C)n1nccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841075039 710372173 /nfs/dbraw/zinc/37/21/73/710372173.db2.gz UXLUJLVDTSIFGF-HTQZYQBOSA-N 0 0 252.274 1.242 20 5 CDBDRN 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O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccccc1 ZINC000071515145 710513449 /nfs/dbraw/zinc/51/34/49/710513449.db2.gz YJPXNHXFNJHDCC-UHFFFAOYSA-N 0 0 288.259 1.500 20 5 CDBDRN Cc1cc(C(=O)O[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000107014417 710518669 /nfs/dbraw/zinc/51/86/69/710518669.db2.gz GWSITHALQJTPPQ-JTQLQIEISA-N 0 0 251.238 1.849 20 5 CDBDRN NC(=O)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804318725 710521845 /nfs/dbraw/zinc/52/18/45/710521845.db2.gz RRNMYUZBQVTABP-UHFFFAOYSA-N 0 0 294.267 1.205 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@](F)(CO)C2)c(F)c1 ZINC000801682954 710524150 /nfs/dbraw/zinc/52/41/50/710524150.db2.gz LORNUTIADOXIKG-LLVKDONJSA-N 0 0 258.224 1.645 20 5 CDBDRN Nc1ccc(C(=O)OC2CCOCC2)cc1[N+](=O)[O-] ZINC000040992138 710527518 /nfs/dbraw/zinc/52/75/18/710527518.db2.gz ZXVJLYCVFQCWBE-UHFFFAOYSA-N 0 0 266.253 1.513 20 5 CDBDRN C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000822757944 710527975 /nfs/dbraw/zinc/52/79/75/710527975.db2.gz OULGYRLAKQAXAR-VIFPVBQESA-N 0 0 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CC(=O)Nc1cccc(C(=O)OC[C@H](C)[N+](=O)[O-])c1C ZINC000813109551 710755305 /nfs/dbraw/zinc/75/53/05/710755305.db2.gz LHRUWDHZKASMIY-QMMMGPOBSA-N 0 0 280.280 1.775 20 5 CDBDRN O=C(OCCF)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000739325509 710765113 /nfs/dbraw/zinc/76/51/13/710765113.db2.gz BXHCTKHPSNFEBF-UHFFFAOYSA-N 0 0 271.200 1.492 20 5 CDBDRN Cn1cc(COC(=O)c2ccc([N+](=O)[O-])cc2N)cn1 ZINC000817988457 710775312 /nfs/dbraw/zinc/77/53/12/710775312.db2.gz QVXPBGKVNODTOK-UHFFFAOYSA-N 0 0 276.252 1.268 20 5 CDBDRN COC(=O)[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581607 710816983 /nfs/dbraw/zinc/81/69/83/710816983.db2.gz FJVORYQEQIPYCG-STQMWFEESA-N 0 0 294.307 1.266 20 5 CDBDRN Cc1nn(CC(=O)OCCC[N+](=O)[O-])c(C)c1Cl ZINC000860916704 710857306 /nfs/dbraw/zinc/85/73/06/710857306.db2.gz YRKWVUPSWDZWBE-UHFFFAOYSA-N 0 0 275.692 1.363 20 5 CDBDRN CCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1=O ZINC000722344813 711360485 /nfs/dbraw/zinc/36/04/85/711360485.db2.gz KLHBXWHHBNZFEB-SSDOTTSWSA-N 0 0 270.314 1.474 20 5 CDBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCC[C@H]1O ZINC000708583407 711386237 /nfs/dbraw/zinc/38/62/37/711386237.db2.gz JMUGOCHKKKSZNU-VXGBXAGGSA-N 0 0 282.271 1.719 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(=O)N(C2CC2)C1 ZINC000834742287 711393636 /nfs/dbraw/zinc/39/36/36/711393636.db2.gz FSZVKCNONGQCQC-UHFFFAOYSA-N 0 0 293.254 1.138 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN(CC(F)F)C2CCC2)c1 ZINC000887100906 711416733 /nfs/dbraw/zinc/41/67/33/711416733.db2.gz WPSKSBIAJMEZOM-UHFFFAOYSA-N 0 0 274.271 1.911 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cncnc1-c1ccccc1 ZINC000814036560 711464551 /nfs/dbraw/zinc/46/45/51/711464551.db2.gz ZVDFBEAHIXRTOT-SNVBAGLBSA-N 0 0 287.275 1.966 20 5 CDBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)OCCCCCCO ZINC000776356289 711466999 /nfs/dbraw/zinc/46/69/99/711466999.db2.gz ZDSSOOXTBNRPOE-UHFFFAOYSA-N 0 0 282.296 1.887 20 5 CDBDRN C[C@H](COC(=O)[C@H]1CN(C)C(=O)c2ccccc21)[N+](=O)[O-] ZINC000813115790 711469936 /nfs/dbraw/zinc/46/99/36/711469936.db2.gz ZRBRSFSIXYRNFG-SKDRFNHKSA-N 0 0 292.291 1.064 20 5 CDBDRN C[C@]1(CO)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801948531 711493184 /nfs/dbraw/zinc/49/31/84/711493184.db2.gz AWGAWAFFGIUUNT-CYBMUJFWSA-N 0 0 297.286 1.303 20 5 CDBDRN C[C@@H]1C(=O)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000885036700 711505698 /nfs/dbraw/zinc/50/56/98/711505698.db2.gz RPRIYOJIDXGDDX-SSDOTTSWSA-N 0 0 251.242 1.117 20 5 CDBDRN COC(=O)CCCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000783124626 711510960 /nfs/dbraw/zinc/51/09/60/711510960.db2.gz YSHLKZQFVCJKDX-UHFFFAOYSA-N 0 0 297.263 1.470 20 5 CDBDRN COC(=O)N[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000886863357 711514904 /nfs/dbraw/zinc/51/49/04/711514904.db2.gz ASLOAVVONSUUGL-VIFPVBQESA-N 0 0 285.325 1.587 20 5 CDBDRN CCOCC(=O)COC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817238567 711516556 /nfs/dbraw/zinc/51/65/56/711516556.db2.gz JWLQCHZVLRKTLS-UHFFFAOYSA-N 0 0 295.291 1.974 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886884610 711517367 /nfs/dbraw/zinc/51/73/67/711517367.db2.gz OIAZVBJVBLSBPI-XYPYZODXSA-N 0 0 278.308 1.712 20 5 CDBDRN C[C@H]1OCC[C@H]1COc1ccc(N)c([N+](=O)[O-])c1 ZINC000871730678 711521172 /nfs/dbraw/zinc/52/11/72/711521172.db2.gz IEEFZWKQSVPDJB-BDAKNGLRSA-N 0 0 252.270 1.981 20 5 CDBDRN COc1ccc(Cc2noc([C@@H]3CC3[N+](=O)[O-])n2)c(F)c1 ZINC000842498376 711535218 /nfs/dbraw/zinc/53/52/18/711535218.db2.gz OPMZGHGCYVWIFG-MWLCHTKSSA-N 0 0 293.254 1.941 20 5 CDBDRN CO[C@@H]1CC[C@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000889358144 711535353 /nfs/dbraw/zinc/53/53/53/711535353.db2.gz DMFXRKATXMNTDG-CHWSQXEVSA-N 0 0 294.307 1.609 20 5 CDBDRN CC[C@H](C)[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)OC ZINC000922771246 711560332 /nfs/dbraw/zinc/56/03/32/711560332.db2.gz ZRCOQFWPBGBSMP-GXSJLCMTSA-N 0 0 289.328 1.953 20 5 CDBDRN CC(C)(COC(=O)c1cnn2ccccc12)[N+](=O)[O-] ZINC000851126213 711567304 /nfs/dbraw/zinc/56/73/04/711567304.db2.gz LEYUAQOPWHYJED-UHFFFAOYSA-N 0 0 263.253 1.546 20 5 CDBDRN COC(=O)CCCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000050086288 711567623 /nfs/dbraw/zinc/56/76/23/711567623.db2.gz NBWPKXTZXUJBJI-UHFFFAOYSA-N 0 0 297.267 1.892 20 5 CDBDRN CC(C)C(=O)N(C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000882161465 711582602 /nfs/dbraw/zinc/58/26/02/711582602.db2.gz DEDVUBPYVHRCPQ-UHFFFAOYSA-N 0 0 293.279 1.575 20 5 CDBDRN CC(=O)N[C@H](C)COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000835719295 711584084 /nfs/dbraw/zinc/58/40/84/711584084.db2.gz YJCHRNYHGYHFJR-ZJUUUORDSA-N 0 0 294.307 1.766 20 5 CDBDRN O=C(NC[C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000720953712 711586987 /nfs/dbraw/zinc/58/69/87/711586987.db2.gz QKNVQXFEKUXVMN-XWEPSHTISA-N 0 0 284.699 1.749 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@H]2C[C@@]2(CO)C1 ZINC000861187590 711596480 /nfs/dbraw/zinc/59/64/80/711596480.db2.gz HCUNMMKWLFNXKO-OQPBUACISA-N 0 0 296.710 1.703 20 5 CDBDRN COc1cc(C)ccc1C(=O)OCCC[N+](=O)[O-] ZINC000860921417 711602120 /nfs/dbraw/zinc/60/21/20/711602120.db2.gz QVXDIMISPSVMPB-UHFFFAOYSA-N 0 0 253.254 1.827 20 5 CDBDRN CCO[C@@H](C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819920435 711603726 /nfs/dbraw/zinc/60/37/26/711603726.db2.gz MUNUICXWHWBSJF-ZETCQYMHSA-N 0 0 253.258 1.541 20 5 CDBDRN CC(C)(C(=O)OCc1cccnc1[N+](=O)[O-])N1CCCC1 ZINC000884507973 711608521 /nfs/dbraw/zinc/60/85/21/711608521.db2.gz QSAJGWNRPMGHME-UHFFFAOYSA-N 0 0 293.323 1.907 20 5 CDBDRN O=[N+]([O-])c1cnc(N2C[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC000845756044 711612344 /nfs/dbraw/zinc/61/23/44/711612344.db2.gz IKWHEWVZJSAFFG-KNVOCYPGSA-N 0 0 259.187 1.830 20 5 CDBDRN CNc1c(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000846603687 711616404 /nfs/dbraw/zinc/61/64/04/711616404.db2.gz MRUBNABHIYTYQT-DTORHVGOSA-N 0 0 297.261 1.974 20 5 CDBDRN Cc1ncoc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000816707264 711617157 /nfs/dbraw/zinc/61/71/57/711617157.db2.gz GGVDGKCEIRNXFT-UHFFFAOYSA-N 0 0 291.263 1.586 20 5 CDBDRN O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841207786 711618864 /nfs/dbraw/zinc/61/88/64/711618864.db2.gz JKHNGMMNPGGTPU-FNCVBFRFSA-N 0 0 297.229 1.552 20 5 CDBDRN CCc1[nH]nc(C(=O)OCCOC(C)(C)C)c1[N+](=O)[O-] ZINC000795614097 711632124 /nfs/dbraw/zinc/63/21/24/711632124.db2.gz MQUWLCMWHZPFFY-UHFFFAOYSA-N 0 0 285.300 1.852 20 5 CDBDRN CC(C)[C@@H](O)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928245102 711632925 /nfs/dbraw/zinc/63/29/25/711632925.db2.gz KGSJQTFJOLJMBK-BXKDBHETSA-N 0 0 266.297 1.789 20 5 CDBDRN O=C(NC[C@H](O)Cc1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000834811108 711635120 /nfs/dbraw/zinc/63/51/20/711635120.db2.gz NOHSWVMGFRPGFE-IJLUTSLNSA-N 0 0 298.726 1.025 20 5 CDBDRN COC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000929846456 711638565 /nfs/dbraw/zinc/63/85/65/711638565.db2.gz NZBMABBNIJMTIY-UHFFFAOYSA-N 0 0 298.320 1.562 20 5 CDBDRN COCC1(C)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000831413086 711649542 /nfs/dbraw/zinc/64/95/42/711649542.db2.gz VKPOQDKLCUCTHV-LBPRGKRZSA-N 0 0 294.307 1.123 20 5 CDBDRN CCn1cc(CNc2nc3ccccn3c2[N+](=O)[O-])nn1 ZINC000853821464 711657500 /nfs/dbraw/zinc/65/75/00/711657500.db2.gz HSGCKSJEADLTHU-UHFFFAOYSA-N 0 0 287.283 1.466 20 5 CDBDRN CCCC(=O)Cn1cc([N+](=O)[O-])nc1Br ZINC000849993244 711661008 /nfs/dbraw/zinc/66/10/08/711661008.db2.gz RQLNHGNWSVMAIP-UHFFFAOYSA-N 0 0 276.090 1.923 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1N1CC[C@]2(CCOC2)C1 ZINC000882081282 711661847 /nfs/dbraw/zinc/66/18/47/711661847.db2.gz AIHXJMGQCZYTKM-LBPRGKRZSA-N 0 0 267.260 1.746 20 5 CDBDRN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1C ZINC000335689362 711666507 /nfs/dbraw/zinc/66/65/07/711666507.db2.gz ZCCVYNPOSRBMGG-IUCAKERBSA-N 0 0 251.286 1.804 20 5 CDBDRN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(C1)OCCO2 ZINC000714030902 711676611 /nfs/dbraw/zinc/67/66/11/711676611.db2.gz YUVPPWSFECUROS-UHFFFAOYSA-N 0 0 296.254 1.323 20 5 CDBDRN C[C@@H](CO)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827883759 711692067 /nfs/dbraw/zinc/69/20/67/711692067.db2.gz OWIPCLWPNBYPNM-MFKMUULPSA-N 0 0 296.323 1.153 20 5 CDBDRN CC1(C)OC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])O1 ZINC000779531939 711695523 /nfs/dbraw/zinc/69/55/23/711695523.db2.gz MCETVZZSRUHWPG-MRVPVSSYSA-N 0 0 295.295 1.058 20 5 CDBDRN O=C(NCC(F)(F)Br)c1c[nH]nc1[N+](=O)[O-] ZINC000807775837 711700926 /nfs/dbraw/zinc/70/09/26/711700926.db2.gz SROBJTIPAZNUTI-UHFFFAOYSA-N 0 0 299.031 1.035 20 5 CDBDRN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930838177 711703256 /nfs/dbraw/zinc/70/32/56/711703256.db2.gz ORTHOTUOVXVBJI-AEJSXWLSSA-N 0 0 295.314 1.831 20 5 CDBDRN Cc1ncoc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000820229650 711704722 /nfs/dbraw/zinc/70/47/22/711704722.db2.gz QWNUIMQUEXNOMP-UHFFFAOYSA-N 0 0 251.198 1.414 20 5 CDBDRN Nc1c(C(=O)NC2CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000929189719 711712439 /nfs/dbraw/zinc/71/24/39/711712439.db2.gz TYZBCMYKCZMFHL-UHFFFAOYSA-N 0 0 273.651 1.862 20 5 CDBDRN C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](C2CC2)C1=O ZINC000925198508 711714556 /nfs/dbraw/zinc/71/45/56/711714556.db2.gz SYMFAYPIUYPTTK-PELKAZGASA-N 0 0 289.291 1.986 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1coc2c1C(=O)CCC2 ZINC000835467484 711714792 /nfs/dbraw/zinc/71/47/92/711714792.db2.gz RKLKSEJBXJPLGP-SSDOTTSWSA-N 0 0 267.237 1.621 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1NC[C@H](O)C1CCOCC1 ZINC000881997980 711715459 /nfs/dbraw/zinc/71/54/59/711715459.db2.gz XRDMCIAPTWZTKB-JTQLQIEISA-N 0 0 285.275 1.328 20 5 CDBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NOC1CCC1 ZINC000836798403 711717971 /nfs/dbraw/zinc/71/79/71/711717971.db2.gz PCYTZIWFILGDIW-UHFFFAOYSA-N 0 0 279.296 1.875 20 5 CDBDRN C[C@@H](O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000791650068 711718203 /nfs/dbraw/zinc/71/82/03/711718203.db2.gz APJMDEGMFCQLAZ-MRVPVSSYSA-N 0 0 271.294 1.611 20 5 CDBDRN Cc1cc(F)cc(C(=O)NC2=NCCS2)c1[N+](=O)[O-] ZINC000176729874 711721204 /nfs/dbraw/zinc/72/12/04/711721204.db2.gz JPDXADPPIZOWJY-UHFFFAOYSA-N 0 0 283.284 1.875 20 5 CDBDRN CC(C)[C@@H](F)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000784304538 711725033 /nfs/dbraw/zinc/72/50/33/711725033.db2.gz LRFXTVBPSRMZFD-LLVKDONJSA-N 0 0 298.270 1.731 20 5 CDBDRN COCC[C@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000798420406 711732891 /nfs/dbraw/zinc/73/28/91/711732891.db2.gz SFBCPUIGKNRGIQ-SECBINFHSA-N 0 0 280.284 1.052 20 5 CDBDRN CCc1[nH]nc(C(=O)OC[C@@H](F)C(F)(F)F)c1[N+](=O)[O-] ZINC000800212276 711732983 /nfs/dbraw/zinc/73/29/83/711732983.db2.gz XCEXDSOXZFTNAV-RXMQYKEDSA-N 0 0 299.180 1.938 20 5 CDBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]1O ZINC000823265497 711736984 /nfs/dbraw/zinc/73/69/84/711736984.db2.gz LMQUXVXMABJMRZ-NXEZZACHSA-N 0 0 282.321 1.570 20 5 CDBDRN CCCn1cc(-c2cn(CC(C)(C)[N+](=O)[O-])nn2)cn1 ZINC000864642591 711747105 /nfs/dbraw/zinc/74/71/05/711747105.db2.gz RKMJSYKDOAYFSK-UHFFFAOYSA-N 0 0 278.316 1.607 20 5 CDBDRN CSC[C@H](C)COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000835668267 711751997 /nfs/dbraw/zinc/75/19/97/711751997.db2.gz JMHFMRQKLTUIPW-MRVPVSSYSA-N 0 0 273.314 1.334 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1COCO1 ZINC000861979386 711753475 /nfs/dbraw/zinc/75/34/75/711753475.db2.gz WFDDXBZKKGMHRS-VIFPVBQESA-N 0 0 266.253 1.006 20 5 CDBDRN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839798678 711765184 /nfs/dbraw/zinc/76/51/84/711765184.db2.gz WHXIPBSUWPXPFG-OPRDCNLKSA-N 0 0 286.328 1.088 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1N1CCN(CCCCO)CC1 ZINC000882011697 711766519 /nfs/dbraw/zinc/76/65/19/711766519.db2.gz BEVIXZOVCGZZMQ-UHFFFAOYSA-N 0 0 298.318 1.023 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787255726 711773506 /nfs/dbraw/zinc/77/35/06/711773506.db2.gz BBWIPNIAVLWOPJ-HTQZYQBOSA-N 0 0 267.285 1.066 20 5 CDBDRN CC[C@H](OC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C(=O)OC ZINC000796259488 711774474 /nfs/dbraw/zinc/77/44/74/711774474.db2.gz KYWSXZZRPVLMKY-ZETCQYMHSA-N 0 0 299.283 1.550 20 5 CDBDRN O=C(N[C@H]1C[C@H](CO)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000886892441 711781823 /nfs/dbraw/zinc/78/18/23/711781823.db2.gz CGJJXQORARJBHW-XWEPSHTISA-N 0 0 268.244 1.235 20 5 CDBDRN CC(C)(COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[N+](=O)[O-] ZINC000860867962 711785986 /nfs/dbraw/zinc/78/59/86/711785986.db2.gz OGDCHBANKUPUAF-UONOGXRCSA-N 0 0 299.323 1.707 20 5 CDBDRN CC(C)c1[nH]nc(C(=O)OCc2cnn(C)c2)c1[N+](=O)[O-] ZINC000796252798 711788717 /nfs/dbraw/zinc/78/87/17/711788717.db2.gz HFYPJENHBIIJIZ-UHFFFAOYSA-N 0 0 293.283 1.532 20 5 CDBDRN CC(C)(COC(=O)/C=C\c1cncc(F)c1)[N+](=O)[O-] ZINC000851126385 711789968 /nfs/dbraw/zinc/78/99/68/711789968.db2.gz DPPRJCNEPSXJGJ-ARJAWSKDSA-N 0 0 268.244 1.832 20 5 CDBDRN O=C(NCC[C@@H]1CCC2(CCC2)O1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000886048787 711792637 /nfs/dbraw/zinc/79/26/37/711792637.db2.gz XUYWGKSVESUBMA-HBNTYKKESA-N 0 0 268.313 1.260 20 5 CDBDRN CC[C@@H](COC(=O)c1cc([N+](=O)[O-])c(N)cc1OC)OC ZINC000842091192 711793657 /nfs/dbraw/zinc/79/36/57/711793657.db2.gz CTCJGZYMTLTNTF-QMMMGPOBSA-N 0 0 298.295 1.767 20 5 CDBDRN COc1cc(OC)cc(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 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ZINC001156642900 938399777 /nfs/dbraw/zinc/39/97/77/938399777.db2.gz DCTQGKBVICCLBJ-LLVKDONJSA-N 0 0 286.719 1.955 20 5 CDBDRN CC(C)[C@](C)(Nc1ncc([N+](=O)[O-])cc1F)C(N)=O ZINC001156647369 938400825 /nfs/dbraw/zinc/40/08/25/938400825.db2.gz HMCOKNQDHMTNQZ-NSHDSACASA-N 0 0 270.264 1.441 20 5 CDBDRN Nc1cc(CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])ccn1 ZINC001156757555 938415568 /nfs/dbraw/zinc/41/55/68/938415568.db2.gz VKXDMESPBBYDIS-UHFFFAOYSA-N 0 0 295.686 1.471 20 5 CDBDRN COc1cc(C(=O)N[C@@H]2CC23CC(O)C3)ccc1[N+](=O)[O-] ZINC001156957002 938438681 /nfs/dbraw/zinc/43/86/81/938438681.db2.gz SOFVUFUNHKTPQU-VTGPFMDVSA-N 0 0 292.291 1.247 20 5 CDBDRN Cc1nc(N)ccc1CNc1ncc([N+](=O)[O-])cc1N ZINC001156980248 938443144 /nfs/dbraw/zinc/44/31/44/938443144.db2.gz BMZLXAAWRHJYFG-UHFFFAOYSA-N 0 0 274.284 1.470 20 5 CDBDRN O=C(Nc1cnn(C2CCC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001156993380 938444380 /nfs/dbraw/zinc/44/43/80/938444380.db2.gz CJEGKNJRSDCYCM-UHFFFAOYSA-N 0 0 276.256 1.492 20 5 CDBDRN CCN(c1ncc([N+](=O)[O-])cc1Cl)C1CN(C)C1 ZINC001157453933 938494359 /nfs/dbraw/zinc/49/43/59/938494359.db2.gz OFDXMKKXYPDVIQ-UHFFFAOYSA-N 0 0 270.720 1.784 20 5 CDBDRN C[C@@]1(O)C[C@H](CNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001157559571 938510997 /nfs/dbraw/zinc/51/09/97/938510997.db2.gz VKCSMJVAMVJCQT-DGFRNANFSA-N 0 0 252.274 1.145 20 5 CDBDRN O=[N+]([O-])c1cc(NC2CSC2)nc2[nH]ccc21 ZINC001157576810 938514710 /nfs/dbraw/zinc/51/47/10/938514710.db2.gz QUWWMLNRLADQPI-UHFFFAOYSA-N 0 0 250.283 1.998 20 5 CDBDRN COc1nc(NCc2ccn(C)c(=O)c2)ccc1[N+](=O)[O-] ZINC001157611859 938519504 /nfs/dbraw/zinc/51/95/04/938519504.db2.gz HEJSXMBVRACMMN-UHFFFAOYSA-N 0 0 290.279 1.309 20 5 CDBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](C)O ZINC001157767082 938543152 /nfs/dbraw/zinc/54/31/52/938543152.db2.gz PXMKMIVEYKUYHW-WRWORJQWSA-N 0 0 267.285 1.066 20 5 CDBDRN Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CC(=O)N(C)C2)n1 ZINC001157904259 938559502 /nfs/dbraw/zinc/55/95/02/938559502.db2.gz CPZOVLWQXONRNX-QMMMGPOBSA-N 0 0 298.730 1.842 20 5 CDBDRN COc1nc(NCCC2CCC2)ncc1[N+](=O)[O-] ZINC001158048538 938578770 /nfs/dbraw/zinc/57/87/70/938578770.db2.gz HOWQGMKWXXAFAP-UHFFFAOYSA-N 0 0 252.274 1.996 20 5 CDBDRN CC1(C)OCC(Nc2ncc(F)cc2[N+](=O)[O-])CO1 ZINC001158063055 938579637 /nfs/dbraw/zinc/57/96/37/938579637.db2.gz MWAXBBUHMZRXBZ-UHFFFAOYSA-N 0 0 271.248 1.692 20 5 CDBDRN CN1C(=O)CC[C@H]2CN(c3cccc([N+](=O)[O-])n3)CC[C@H]21 ZINC001158650980 938646189 /nfs/dbraw/zinc/64/61/89/938646189.db2.gz VEJAQMHYYJSMEA-WDEREUQCSA-N 0 0 290.323 1.437 20 5 CDBDRN Cc1csc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC001158718539 938656514 /nfs/dbraw/zinc/65/65/14/938656514.db2.gz GVXWNGDIYUCRRU-UHFFFAOYSA-N 0 0 266.282 1.618 20 5 CDBDRN O=C1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]12 ZINC001158998625 938686343 /nfs/dbraw/zinc/68/63/43/938686343.db2.gz BDTCRIUSIVOYJA-SCZZXKLOSA-N 0 0 279.271 1.934 20 5 CDBDRN COc1nc(N2C[C@H]3CCCC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001159002454 938687493 /nfs/dbraw/zinc/68/74/93/938687493.db2.gz YPAPAHIGOWOCIJ-NXEZZACHSA-N 0 0 291.307 1.804 20 5 CDBDRN CC(C)[C@H](CO)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001160067796 938767216 /nfs/dbraw/zinc/76/72/16/938767216.db2.gz YAIINRMJLXNRLN-IHRRRGAJSA-N 0 0 292.335 1.831 20 5 CDBDRN C[C@@H](CO)CCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001160603465 938803441 /nfs/dbraw/zinc/80/34/41/938803441.db2.gz LBKDRUZPTFZGBP-MRVPVSSYSA-N 0 0 264.285 1.902 20 5 CDBDRN CC(=O)NC[C@H](C)CNc1cc([N+](=O)[O-])ccn1 ZINC001160653524 938808049 /nfs/dbraw/zinc/80/80/49/938808049.db2.gz MNLDCIXPXXHFQH-QMMMGPOBSA-N 0 0 252.274 1.174 20 5 CDBDRN COC(=O)[C@@H]1C[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC001161038754 938861326 /nfs/dbraw/zinc/86/13/26/938861326.db2.gz YCRRMKYYUMRTII-DTWKUNHWSA-N 0 0 265.269 1.519 20 5 CDBDRN Nc1nc(NC2CN(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC001161320716 938888667 /nfs/dbraw/zinc/88/86/67/938888667.db2.gz PKYWAXKGNPTTSJ-UHFFFAOYSA-N 0 0 286.295 1.268 20 5 CDBDRN COc1cnc(N[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC001161735245 938927925 /nfs/dbraw/zinc/92/79/25/938927925.db2.gz GTJZPWLWWYEOHF-QMMMGPOBSA-N 0 0 255.274 1.427 20 5 CDBDRN CC(C)Cn1cnc(CNc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001161792801 938932933 /nfs/dbraw/zinc/93/29/33/938932933.db2.gz CXHQFCDNBZDPPN-UHFFFAOYSA-N 0 0 291.311 1.693 20 5 CDBDRN O=[N+]([O-])c1c(NCCn2ccnn2)ccc2cnccc21 ZINC001161930140 938944055 /nfs/dbraw/zinc/94/40/55/938944055.db2.gz FGZWZMFYGKQNJY-UHFFFAOYSA-N 0 0 284.279 1.847 20 5 CDBDRN O=[N+]([O-])c1cnc(Cl)cc1NCCCn1cncn1 ZINC001161960168 938948840 /nfs/dbraw/zinc/94/88/40/938948840.db2.gz VSUOPLNTUAHXLB-UHFFFAOYSA-N 0 0 282.691 1.737 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCNC(=O)C1 ZINC001162332828 939026621 /nfs/dbraw/zinc/02/66/21/939026621.db2.gz MTQLBUIFJMDQJV-JTQLQIEISA-N 0 0 263.297 1.841 20 5 CDBDRN O=C1C[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])CCN1 ZINC001162337327 939027881 /nfs/dbraw/zinc/02/78/81/939027881.db2.gz MRTUEAHULBTUNM-ZETCQYMHSA-N 0 0 284.703 1.003 20 5 CDBDRN CC(C)C[C@H](CO)Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001162371142 939038122 /nfs/dbraw/zinc/03/81/22/939038122.db2.gz VDLUVKUPHLOGED-SNVBAGLBSA-N 0 0 279.300 1.456 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2C[C@@]23CCCOC3)c1 ZINC001162375494 939039411 /nfs/dbraw/zinc/03/94/11/939039411.db2.gz KMTOMBAZYVUPEX-JOYOIKCWSA-N 0 0 299.714 1.863 20 5 CDBDRN NC(=O)C1(Nc2ncnc3cc(F)c([N+](=O)[O-])cc32)CC1 ZINC001162543028 939080801 /nfs/dbraw/zinc/08/08/01/939080801.db2.gz DSZHLXACBVQMKW-UHFFFAOYSA-N 0 0 291.242 1.107 20 5 CDBDRN NC(=O)c1cc(NCCn2cccc2)ccc1[N+](=O)[O-] ZINC001162637295 939105939 /nfs/dbraw/zinc/10/59/39/939105939.db2.gz HMHRYKYREKUBRJ-UHFFFAOYSA-N 0 0 274.280 1.607 20 5 CDBDRN CN1CCO[C@H](CNc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001162682531 939115453 /nfs/dbraw/zinc/11/54/53/939115453.db2.gz DCPABCGVDJOMRY-MRVPVSSYSA-N 0 0 286.719 1.386 20 5 CDBDRN O=C1OCC=C1Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001162703444 939123537 /nfs/dbraw/zinc/12/35/37/939123537.db2.gz PQTIALOQBUUWTN-UHFFFAOYSA-N 0 0 260.209 1.324 20 5 CDBDRN Cc1cc(Cl)nc(N[C@H]2CNC(=O)C2(C)C)c1[N+](=O)[O-] ZINC001163008537 939173698 /nfs/dbraw/zinc/17/36/98/939173698.db2.gz ITQKRAFRSSTYCC-ZETCQYMHSA-N 0 0 298.730 1.888 20 5 CDBDRN CC(C)(C)OC(=O)CCNc1nccc(N)c1[N+](=O)[O-] ZINC001163410591 939265130 /nfs/dbraw/zinc/26/51/30/939265130.db2.gz URRJWNNCDHYGCB-UHFFFAOYSA-N 0 0 282.300 1.716 20 5 CDBDRN COC(=O)[C@@H](Nc1nccc(N)c1[N+](=O)[O-])C(C)(C)C ZINC001163508155 939277950 /nfs/dbraw/zinc/27/79/50/939277950.db2.gz AJJLDJWOMPQYNM-SECBINFHSA-N 0 0 282.300 1.572 20 5 CDBDRN O=[N+]([O-])c1c(Cl)ccnc1N1CCCC[C@@H]1CO ZINC001163549139 939284381 /nfs/dbraw/zinc/28/43/81/939284381.db2.gz AUPVDPFUNGAMIC-MRVPVSSYSA-N 0 0 271.704 1.994 20 5 CDBDRN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCCC[C@@H]1CO ZINC001163554061 939286431 /nfs/dbraw/zinc/28/64/31/939286431.db2.gz ZGFHCKWHCNAGCB-MRVPVSSYSA-N 0 0 287.703 1.233 20 5 CDBDRN CCCN(CCOC)c1ccc([N+](=O)[O-])c(N)n1 ZINC001163647240 939297463 /nfs/dbraw/zinc/29/74/63/939297463.db2.gz KKVWAFPYPFUTHS-UHFFFAOYSA-N 0 0 254.290 1.435 20 5 CDBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)C1CC(F)(F)C1 ZINC001163768250 939325259 /nfs/dbraw/zinc/32/52/59/939325259.db2.gz IXBYNDFBOSJGRU-UHFFFAOYSA-N 0 0 273.239 1.771 20 5 CDBDRN COC(=O)[C@@H](CO)Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001163789701 939332765 /nfs/dbraw/zinc/33/27/65/939332765.db2.gz QNOLNGVQWDRRDX-SECBINFHSA-N 0 0 297.311 1.233 20 5 CDBDRN COc1nc(C)nc(NCCCSC)c1[N+](=O)[O-] ZINC001163869152 939344449 /nfs/dbraw/zinc/34/44/49/939344449.db2.gz MMMMTODPWHXZGM-UHFFFAOYSA-N 0 0 272.330 1.867 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])cc(NCCCSC)n1 ZINC001163869284 939344458 /nfs/dbraw/zinc/34/44/58/939344458.db2.gz RIJLURSTFJLVTB-UHFFFAOYSA-N 0 0 285.325 1.941 20 5 CDBDRN Nc1ccccc1CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001163890585 939347720 /nfs/dbraw/zinc/34/77/20/939347720.db2.gz UVCYVJPMGMNFFJ-UHFFFAOYSA-N 0 0 284.279 1.832 20 5 CDBDRN CCNC(=O)CN(C)c1ncc([N+](=O)[O-])c(C)c1C ZINC001163914036 939350114 /nfs/dbraw/zinc/35/01/14/939350114.db2.gz RKLPFBSLUNBVIH-UHFFFAOYSA-N 0 0 266.301 1.179 20 5 CDBDRN O=C(NCCNc1cccnc1[N+](=O)[O-])c1ccncc1 ZINC001163966822 939364834 /nfs/dbraw/zinc/36/48/34/939364834.db2.gz QYTKCVCOCYEAAA-UHFFFAOYSA-N 0 0 287.279 1.227 20 5 CDBDRN CCOc1nc(N2CCC[C@@H](F)C(=O)C2)ccc1[N+](=O)[O-] ZINC001164028408 939388916 /nfs/dbraw/zinc/38/89/16/939388916.db2.gz GJCJTMDQQBINRY-SECBINFHSA-N 0 0 297.286 1.896 20 5 CDBDRN O=[N+]([O-])c1cccc(N2C[C@H](F)C[C@H](CO)C2)n1 ZINC001164042796 939394911 /nfs/dbraw/zinc/39/49/11/939394911.db2.gz ZZCJRAJEOGTKLK-DTWKUNHWSA-N 0 0 255.249 1.147 20 5 CDBDRN C[C@H]1C[C@@H](CO)N(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001164152060 939421160 /nfs/dbraw/zinc/42/11/60/939421160.db2.gz GGQSZBMCUJZMPC-IUCAKERBSA-N 0 0 276.296 1.678 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC(O)(C(F)(F)F)C2)c(F)c1 ZINC001164162366 939423077 /nfs/dbraw/zinc/42/30/77/939423077.db2.gz DFMLULNGKYWYIJ-UHFFFAOYSA-N 0 0 281.165 1.242 20 5 CDBDRN COc1cc(C)nc(N2CCC[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001164219472 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CCc1nn(C)c(NC2CCC(C)(O)CC2)c1[N+](=O)[O-] ZINC000703621982 712401742 /nfs/dbraw/zinc/40/17/42/712401742.db2.gz GTJHQNMXEIOVME-UHFFFAOYSA-N 0 0 282.344 1.996 20 5 CDBDRN COc1cccc(NCC[S@](C)=O)c1[N+](=O)[O-] ZINC000158416314 712406295 /nfs/dbraw/zinc/40/62/95/712406295.db2.gz NYROTTNBQWOVNH-QGZVFWFLSA-N 0 0 258.299 1.394 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN1C ZINC000928556330 712408628 /nfs/dbraw/zinc/40/86/28/712408628.db2.gz NYNSGIFEIAQMOQ-SNVBAGLBSA-N 0 0 279.296 1.037 20 5 CDBDRN C[C@H]1CN=C(NC(=O)c2csc([N+](=O)[O-])c2)S1 ZINC000819765826 712414212 /nfs/dbraw/zinc/41/42/12/712414212.db2.gz RLXDPBFITBJTQW-YFKPBYRVSA-N 0 0 271.323 1.877 20 5 CDBDRN CN1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])CCC1=O ZINC000882000017 712416511 /nfs/dbraw/zinc/41/65/11/712416511.db2.gz RSILLXADZBSRCJ-SSDOTTSWSA-N 0 0 268.248 1.162 20 5 CDBDRN C[C@@H]1C[C@@H](CO)CN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000817125390 712419400 /nfs/dbraw/zinc/41/94/00/712419400.db2.gz RTAVOLHBXSXXAO-GHMZBOCLSA-N 0 0 290.323 1.697 20 5 CDBDRN Cc1ccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)s1 ZINC000176683741 712420445 /nfs/dbraw/zinc/42/04/45/712420445.db2.gz YFPDRCQPDQTAOS-UHFFFAOYSA-N 0 0 282.281 1.413 20 5 CDBDRN O=C(OCCCCCO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000803237971 712421817 /nfs/dbraw/zinc/42/18/17/712421817.db2.gz KDRLLKHRZCWQDA-UHFFFAOYSA-N 0 0 297.263 1.643 20 5 CDBDRN Cc1noc(COC(=O)[C@@H](C)OCC2CC2)c1[N+](=O)[O-] ZINC000853894231 712423421 /nfs/dbraw/zinc/42/34/21/712423421.db2.gz WUCKOFPPOJMCQP-MRVPVSSYSA-N 0 0 284.268 1.750 20 5 CDBDRN CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194042324 712424100 /nfs/dbraw/zinc/42/41/00/712424100.db2.gz LYYRDWOHNMNJEQ-UHFFFAOYSA-N 0 0 296.283 1.783 20 5 CDBDRN O=C(OCCSc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840670705 712430130 /nfs/dbraw/zinc/43/01/30/712430130.db2.gz VWHHDLUOIXRAAT-GHMZBOCLSA-N 0 0 267.306 1.987 20 5 CDBDRN COCCONC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000135143354 712432471 /nfs/dbraw/zinc/43/24/71/712432471.db2.gz 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C[C@H](C[N+](=O)[O-])OC(=O)c1csc(-c2cnccn2)n1 ZINC000814040078 712526416 /nfs/dbraw/zinc/52/64/16/712526416.db2.gz BWGDJKHEHBAGOR-SSDOTTSWSA-N 0 0 294.292 1.422 20 5 CDBDRN O=C(COC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC1CC1 ZINC000784217740 712528664 /nfs/dbraw/zinc/52/86/64/712528664.db2.gz URSBWGUJSOGVLZ-UHFFFAOYSA-N 0 0 279.248 1.826 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)C1CC1 ZINC000171493394 712537158 /nfs/dbraw/zinc/53/71/58/712537158.db2.gz NKOAJPVKXANQAC-MRVPVSSYSA-N 0 0 267.285 1.832 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1SCCCS1 ZINC000842366427 712537712 /nfs/dbraw/zinc/53/77/12/712537712.db2.gz AHVVQPMDWTWSLX-LURJTMIESA-N 0 0 251.329 1.391 20 5 CDBDRN O=C(NOCC1CCC1)Nc1ccncc1[N+](=O)[O-] ZINC000822273716 712680164 /nfs/dbraw/zinc/68/01/64/712680164.db2.gz NWLAYNDJXLGAGK-UHFFFAOYSA-N 0 0 266.257 1.265 20 5 CDBDRN CC[C@H](C)CONC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819327556 712696657 /nfs/dbraw/zinc/69/66/57/712696657.db2.gz FRPXJWHGYZZYGY-AAEUAGOBSA-N 0 0 298.339 1.902 20 5 CDBDRN Cc1nc([C@H](C)OC(=O)c2cc(O)cc([N+](=O)[O-])c2)no1 ZINC000811153940 712703106 /nfs/dbraw/zinc/70/31/06/712703106.db2.gz WODMOBJUPWAFSU-LURJTMIESA-N 0 0 293.235 1.910 20 5 CDBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000805337991 712705277 /nfs/dbraw/zinc/70/52/77/712705277.db2.gz XNTVAZVHGWDMOH-MRVPVSSYSA-N 0 0 276.252 1.641 20 5 CDBDRN Cc1ccc(OC(=O)c2cnc3n[nH]nc3c2)c([N+](=O)[O-])c1 ZINC000783069767 712711612 /nfs/dbraw/zinc/71/16/12/712711612.db2.gz NYSIBTDLBONCSK-UHFFFAOYSA-N 0 0 299.246 1.789 20 5 CDBDRN C[C@H]1COCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827142606 712714019 /nfs/dbraw/zinc/71/40/19/712714019.db2.gz MATCUSRLCGFQAC-JTQLQIEISA-N 0 0 258.318 1.459 20 5 CDBDRN CCNC(=O)[C@H](C)OC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000835758457 712724308 /nfs/dbraw/zinc/72/43/08/712724308.db2.gz WOTZJNZOTUFYLN-JTQLQIEISA-N 0 0 294.307 1.514 20 5 CDBDRN CN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2c1cnn2C ZINC000162690390 712724397 /nfs/dbraw/zinc/72/43/97/712724397.db2.gz QMYWUFSUCQDVBY-GFCCVEGCSA-N 0 0 290.327 1.492 20 5 CDBDRN O=C(NC[C@@H]1C=CCC1)Nc1ccncc1[N+](=O)[O-] ZINC000879074104 712726263 /nfs/dbraw/zinc/72/62/63/712726263.db2.gz XXEBCRZZQZDYFL-SECBINFHSA-N 0 0 262.269 1.499 20 5 CDBDRN O=[N+]([O-])c1cnn(Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000115965512 712729437 /nfs/dbraw/zinc/72/94/37/712729437.db2.gz VOFWYSNOOQYGAY-UHFFFAOYSA-N 0 0 266.188 1.887 20 5 CDBDRN CC(C)CCOCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049947208 712735729 /nfs/dbraw/zinc/73/57/29/712735729.db2.gz WJOGBJBRMQKWNQ-UHFFFAOYSA-N 0 0 295.339 1.970 20 5 CDBDRN CN(Cc1ccon1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865550676 712739070 /nfs/dbraw/zinc/73/90/70/712739070.db2.gz FWFVWQSIEKUNSK-UHFFFAOYSA-N 0 0 281.243 1.851 20 5 CDBDRN Nc1c(C(=O)OC[C@@H]2CCCO2)cc(F)cc1[N+](=O)[O-] ZINC000778105886 712746042 /nfs/dbraw/zinc/74/60/42/712746042.db2.gz KIVQZTDHAFXLBR-QMMMGPOBSA-N 0 0 284.243 1.652 20 5 CDBDRN COCCOCCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102134694 712747229 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/nfs/dbraw/zinc/04/03/14/357040314.db2.gz WJBHVYZTSRAVQO-UHFFFAOYSA-N 0 0 261.197 1.483 20 5 CDBDRN COC(=O)CN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000431795964 357114937 /nfs/dbraw/zinc/11/49/37/357114937.db2.gz ROUHPYNVHOMHAN-UHFFFAOYSA-N 0 0 294.307 1.504 20 5 CDBDRN CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000045642968 357126176 /nfs/dbraw/zinc/12/61/76/357126176.db2.gz XZMYKADJTLUEOD-UHFFFAOYSA-N 0 0 253.258 1.753 20 5 CDBDRN CNC(=O)[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888641 357213034 /nfs/dbraw/zinc/21/30/34/357213034.db2.gz PQTYULILFAVHMN-YFKPBYRVSA-N 0 0 259.212 1.419 20 5 CDBDRN CO[C@@H](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000180976429 357297712 /nfs/dbraw/zinc/29/77/12/357297712.db2.gz ZBUIHMZKKPGZSS-JTQLQIEISA-N 0 0 289.291 1.853 20 5 CDBDRN O=[N+]([O-])c1cccc2c(N3C[C@@H](O)C[C@@H]3CO)ccnc21 ZINC000432338632 357246640 /nfs/dbraw/zinc/24/66/40/357246640.db2.gz XQOUTKKMCUXBHO-ZJUUUORDSA-N 0 0 289.291 1.075 20 5 CDBDRN COCCCOCC(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC000181295799 357331650 /nfs/dbraw/zinc/33/16/50/357331650.db2.gz SDZMBRNLWQMZMQ-UHFFFAOYSA-N 0 0 297.307 2.000 20 5 CDBDRN C[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083798176 357336016 /nfs/dbraw/zinc/33/60/16/357336016.db2.gz ZFVPYAZXRUMAAJ-SSDOTTSWSA-N 0 0 297.698 1.209 20 5 CDBDRN CC1(C)C[C@@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264578958 357383628 /nfs/dbraw/zinc/38/36/28/357383628.db2.gz IKMHQFAQHVLSIA-LBPRGKRZSA-N 0 0 292.291 1.701 20 5 CDBDRN CCSCCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000282592905 357440272 /nfs/dbraw/zinc/44/02/72/357440272.db2.gz HWSOWKHPOXCAOC-UHFFFAOYSA-N 0 0 286.357 1.510 20 5 CDBDRN CCN(CC)C(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000185047313 357503756 /nfs/dbraw/zinc/50/37/56/357503756.db2.gz CGVQJJLMVJLKPV-UHFFFAOYSA-N 0 0 270.260 1.981 20 5 CDBDRN CC(C)N(CCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000282779677 357474813 /nfs/dbraw/zinc/47/48/13/357474813.db2.gz FSXSJYJFWMRGLT-UHFFFAOYSA-N 0 0 268.313 1.819 20 5 CDBDRN O=c1ccc([N+](=O)[O-])cn1CCOC1CCCC1 ZINC000360569098 357479380 /nfs/dbraw/zinc/47/93/80/357479380.db2.gz SNXXLWVWRCOEEE-UHFFFAOYSA-N 0 0 252.270 1.716 20 5 CDBDRN COc1cc([C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])ccn1 ZINC000360570701 357479962 /nfs/dbraw/zinc/47/99/62/357479962.db2.gz YLQDABNNLMPLTM-SSDOTTSWSA-N 0 0 291.267 1.213 20 5 CDBDRN C[C@@H](CO)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000283602820 357573711 /nfs/dbraw/zinc/57/37/11/357573711.db2.gz LHAKQLAHIIDYDY-JTQLQIEISA-N 0 0 281.312 1.160 20 5 CDBDRN COCCN1CN(c2ccc([N+](=O)[O-])c(C)c2)CC1=O ZINC000283059517 357523045 /nfs/dbraw/zinc/52/30/45/357523045.db2.gz TUGNNABXOLFPKU-UHFFFAOYSA-N 0 0 279.296 1.156 20 5 CDBDRN C[C@H](CF)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000360593364 357523808 /nfs/dbraw/zinc/52/38/08/357523808.db2.gz FVYOOJXPSYWGSW-SECBINFHSA-N 0 0 292.270 1.868 20 5 CDBDRN CS[C@@H](CO)[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000283760000 357600624 /nfs/dbraw/zinc/60/06/24/357600624.db2.gz MTYFVDVTDNXEFG-CPCISQLKSA-N 0 0 271.342 1.701 20 5 CDBDRN COc1ccc(NC(=O)c2c[nH]cn2)cc1[N+](=O)[O-] ZINC000360740026 357677919 /nfs/dbraw/zinc/67/79/19/357677919.db2.gz RZWIMTNBYZDVJM-UHFFFAOYSA-N 0 0 262.225 1.579 20 5 CDBDRN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(F)(F)F ZINC000360653779 357663900 /nfs/dbraw/zinc/66/39/00/357663900.db2.gz XHJIAZAGNPEWKQ-BYPYZUCNSA-N 0 0 266.179 1.009 20 5 CDBDRN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000360859599 357722332 /nfs/dbraw/zinc/72/23/32/357722332.db2.gz NVEVEHHJROKRPF-DTWKUNHWSA-N 0 0 298.726 1.949 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCn2ncnc2C1 ZINC000361014829 357773800 /nfs/dbraw/zinc/77/38/00/357773800.db2.gz PGFCOCUCAHZMIL-UHFFFAOYSA-N 0 0 287.279 1.409 20 5 CDBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000408067112 357802276 /nfs/dbraw/zinc/80/22/76/357802276.db2.gz AVYDIAQGSGRFCO-QWRGUYRKSA-N 0 0 277.324 1.759 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCCC[S@@](C)=O)c1 ZINC000135242996 357803975 /nfs/dbraw/zinc/80/39/75/357803975.db2.gz ZMMMLSZDLWOLGY-SFHVURJKSA-N 0 0 272.326 1.784 20 5 CDBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408069510 357804429 /nfs/dbraw/zinc/80/44/29/357804429.db2.gz BYSMIPWVSDIHJR-OKQLBERTSA-N 0 0 291.307 1.418 20 5 CDBDRN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc([N+](=O)[O-])n[nH]1 ZINC000408075158 357813519 /nfs/dbraw/zinc/81/35/19/357813519.db2.gz UFOHPYXDIMAZBX-QXFUBDJGSA-N 0 0 280.284 1.005 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(O)(COC)CC1 ZINC000361062789 357790817 /nfs/dbraw/zinc/79/08/17/357790817.db2.gz MZJBEMQRLXTKPR-UHFFFAOYSA-N 0 0 298.343 1.097 20 5 CDBDRN CC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)OC ZINC000175755879 188965489 /nfs/dbraw/zinc/96/54/89/188965489.db2.gz AOVSXNGCGMSDII-NSHDSACASA-N 0 0 280.280 1.585 20 5 CDBDRN COC(=O)c1c[nH]c(SCCn2ccc([N+](=O)[O-])n2)n1 ZINC000188092239 357845327 /nfs/dbraw/zinc/84/53/27/357845327.db2.gz DEUBZWDWTZGQKA-UHFFFAOYSA-N 0 0 297.296 1.093 20 5 CDBDRN Cc1cc(C(=O)N2CC(CF)C2)cc([N+](=O)[O-])c1 ZINC000335211574 357871536 /nfs/dbraw/zinc/87/15/36/357871536.db2.gz WOOOJJFTAIBTLX-UHFFFAOYSA-N 0 0 252.245 1.945 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cnn2c1CCC2 ZINC000294397027 199024969 /nfs/dbraw/zinc/02/49/69/199024969.db2.gz JAFNWWHQDGSHGS-UHFFFAOYSA-N 0 0 286.291 1.668 20 5 CDBDRN C[C@H](O)CCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714466 357890498 /nfs/dbraw/zinc/89/04/98/357890498.db2.gz TZEAUPOIVCSQKM-JTQLQIEISA-N 0 0 281.312 1.236 20 5 CDBDRN CO[C@H](C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188460787 357900835 /nfs/dbraw/zinc/90/08/35/357900835.db2.gz SMTXQMUDMVYPRY-SECBINFHSA-N 0 0 280.280 1.219 20 5 CDBDRN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CO1 ZINC000584471555 357907804 /nfs/dbraw/zinc/90/78/04/357907804.db2.gz LLLHBRWQECPRCK-BQBZGAKWSA-N 0 0 256.283 1.564 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000335478736 357917670 /nfs/dbraw/zinc/91/76/70/357917670.db2.gz MMFJWHZETSIVKN-IUCAKERBSA-N 0 0 269.276 1.944 20 5 CDBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294524461 199071986 /nfs/dbraw/zinc/07/19/86/199071986.db2.gz WPYRFUOGJNXRQC-NSHDSACASA-N 0 0 294.355 1.749 20 5 CDBDRN CO[C@@H](C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000189058148 357967319 /nfs/dbraw/zinc/96/73/19/357967319.db2.gz GDRSUCFIUDRIHB-VIFPVBQESA-N 0 0 291.307 1.770 20 5 CDBDRN O=[N+]([O-])c1cc2c(ncnc2N(CCO)C2CCC2)s1 ZINC000286767310 357992860 /nfs/dbraw/zinc/99/28/60/357992860.db2.gz SWWKDMFAQNFZJK-UHFFFAOYSA-N 0 0 294.336 1.951 20 5 CDBDRN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000220151088 358012669 /nfs/dbraw/zinc/01/26/69/358012669.db2.gz BNTVDZDGOILGAT-DTWKUNHWSA-N 0 0 279.296 1.474 20 5 CDBDRN CCN1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264684407 358054800 /nfs/dbraw/zinc/05/48/00/358054800.db2.gz XUGBRDFSCPHRCV-UHFFFAOYSA-N 0 0 265.313 1.745 20 5 CDBDRN CN(C[C@H]1CCOC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175930013 358059671 /nfs/dbraw/zinc/05/96/71/358059671.db2.gz NQNZNDOAXDAOKS-GFCCVEGCSA-N 0 0 293.323 1.773 20 5 CDBDRN C[C@@H]1CCNC(=O)[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285452045 358063280 /nfs/dbraw/zinc/06/32/80/358063280.db2.gz YCYMTTKTKXANQS-JMCQJSRRSA-N 0 0 299.277 1.487 20 5 CDBDRN CN(c1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC(O)C1 ZINC000436351125 358109087 /nfs/dbraw/zinc/10/90/87/358109087.db2.gz XTTVJPVZLGWKHB-UHFFFAOYSA-N 0 0 291.229 1.968 20 5 CDBDRN O=[N+]([O-])c1cccc(OCCN2CCC[C@@](F)(CO)C2)c1 ZINC000287083719 358094611 /nfs/dbraw/zinc/09/46/11/358094611.db2.gz VPPIKWCQSREDGW-AWEZNQCLSA-N 0 0 298.314 1.770 20 5 CDBDRN CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCS1 ZINC000287161841 358115117 /nfs/dbraw/zinc/11/51/17/358115117.db2.gz RSYYHGTWXWUEQB-UHFFFAOYSA-N 0 0 284.341 1.676 20 5 CDBDRN CSC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000294673154 199128817 /nfs/dbraw/zinc/12/88/17/199128817.db2.gz OWKXSALPLQMIMV-QMMMGPOBSA-N 0 0 284.341 1.533 20 5 CDBDRN CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])s1 ZINC000192456290 358203988 /nfs/dbraw/zinc/20/39/88/358203988.db2.gz LIZLSZOIIUNHKJ-VIFPVBQESA-N 0 0 270.358 1.829 20 5 CDBDRN CN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1(C)C ZINC000559255953 358246331 /nfs/dbraw/zinc/24/63/31/358246331.db2.gz AWZRALVXVPGLFS-UHFFFAOYSA-N 0 0 292.339 1.343 20 5 CDBDRN CC[C@H](C)[C@H](O)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000193428999 358293946 /nfs/dbraw/zinc/29/39/46/358293946.db2.gz FJKZAEZPKSFYSE-QPUJVOFHSA-N 0 0 253.302 1.996 20 5 CDBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000193464175 358296105 /nfs/dbraw/zinc/29/61/05/358296105.db2.gz HZAHEQUIIDEHIO-SECBINFHSA-N 0 0 276.296 1.352 20 5 CDBDRN COCCCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193491553 358298017 /nfs/dbraw/zinc/29/80/17/358298017.db2.gz ZNMZMARCKMLQQQ-UHFFFAOYSA-N 0 0 283.284 1.242 20 5 CDBDRN Cc1nc(N(C)Cc2ncc(Cl)n2C)ncc1[N+](=O)[O-] ZINC000294838518 199206182 /nfs/dbraw/zinc/20/61/82/199206182.db2.gz BDQMGNMKCVKJHE-UHFFFAOYSA-N 0 0 296.718 1.717 20 5 CDBDRN CC[S@@](=O)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294879192 199227494 /nfs/dbraw/zinc/22/74/94/199227494.db2.gz HJZIDULDGLXDIF-WVDJIFEKSA-N 0 0 298.364 1.849 20 5 CDBDRN CCC(CC)(CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290775709 358391257 /nfs/dbraw/zinc/39/12/57/358391257.db2.gz MDFAHERZHBEYLC-UHFFFAOYSA-N 0 0 282.300 1.052 20 5 CDBDRN CC[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)OC ZINC000290780526 358392192 /nfs/dbraw/zinc/39/21/92/358392192.db2.gz WHTYAQKDUGBCIR-SSDOTTSWSA-N 0 0 266.257 1.968 20 5 CDBDRN COC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000194849958 358395686 /nfs/dbraw/zinc/39/56/86/358395686.db2.gz RVFJPDLRRIQGPK-WDEREUQCSA-N 0 0 292.291 1.666 20 5 CDBDRN CCOCCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304210 358402385 /nfs/dbraw/zinc/40/23/85/358402385.db2.gz RBVCJGKBZGQIRY-UHFFFAOYSA-N 0 0 266.297 1.680 20 5 CDBDRN CC[C@H](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)OC ZINC000294898574 199237888 /nfs/dbraw/zinc/23/78/88/199237888.db2.gz 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/nfs/dbraw/zinc/79/91/78/358799178.db2.gz RQMPAIIWRPCVOC-ZJUUUORDSA-N 0 0 292.339 1.961 20 5 CDBDRN CCC(C)(C)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290976574 358799781 /nfs/dbraw/zinc/79/97/81/358799781.db2.gz QTHVQVMFMDZVFF-UHFFFAOYSA-N 0 0 266.301 1.937 20 5 CDBDRN C[C@@H]1OCC[C@]1(O)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000228008910 358862824 /nfs/dbraw/zinc/86/28/24/358862824.db2.gz KISTVLIVTBUFAC-CPCISQLKSA-N 0 0 287.703 1.595 20 5 CDBDRN C[C@@H]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000457454650 366472611 /nfs/dbraw/zinc/47/26/11/366472611.db2.gz ULCXMLCIIISRBQ-ZWNOBZJWSA-N 0 0 294.307 1.657 20 5 CDBDRN Cn1ncc(CN2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000290457001 366518707 /nfs/dbraw/zinc/51/87/07/366518707.db2.gz DWEAQNFUDAVMLY-UHFFFAOYSA-N 0 0 259.269 1.286 20 5 CDBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[S@](=O)C1 ZINC000342265923 358978369 /nfs/dbraw/zinc/97/83/69/358978369.db2.gz LHDKVYAFCWOYTD-GJEGPGMTSA-N 0 0 258.274 1.667 20 5 CDBDRN CNC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 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ZINC000296957848 200046451 /nfs/dbraw/zinc/04/64/51/200046451.db2.gz CJYOMIDTWMZPGV-SECBINFHSA-N 0 0 254.290 1.512 20 5 CDBDRN CS[C@@H](CO)[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000296958070 200046788 /nfs/dbraw/zinc/04/67/88/200046788.db2.gz CLHMJEGQUINSAS-CBAPKCEASA-N 0 0 272.330 1.218 20 5 CDBDRN C[C@@H]1[C@@H](C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000297061926 200074787 /nfs/dbraw/zinc/07/47/87/200074787.db2.gz MMHOJBCVQNDSEO-DTWKUNHWSA-N 0 0 270.310 1.624 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CN(C(C)C)C1 ZINC000297011462 200061660 /nfs/dbraw/zinc/06/16/60/200061660.db2.gz HNCRUSIRMNJFSO-UHFFFAOYSA-N 0 0 293.323 1.426 20 5 CDBDRN NC(=O)[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297029337 200066150 /nfs/dbraw/zinc/06/61/50/200066150.db2.gz HGNRQROJLXXPRG-JTQLQIEISA-N 0 0 286.291 1.455 20 5 CDBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCOC1 ZINC000297076917 200079338 /nfs/dbraw/zinc/07/93/38/200079338.db2.gz LUFGSMNMFKWYIB-UHFFFAOYSA-N 0 0 282.321 1.893 20 5 CDBDRN C[C@H](CC(C)(C)O)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000297127559 200092682 /nfs/dbraw/zinc/09/26/82/200092682.db2.gz HIDNAOFICBROMI-MRVPVSSYSA-N 0 0 281.312 1.456 20 5 CDBDRN O=C(Cn1nccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000341224686 366536168 /nfs/dbraw/zinc/53/61/68/366536168.db2.gz AUZFXVUAPOUDGF-UHFFFAOYSA-N 0 0 275.220 1.403 20 5 CDBDRN Cc1ccc(NCCNC(=O)C2CC2)c([N+](=O)[O-])c1 ZINC000135565670 359707734 /nfs/dbraw/zinc/70/77/34/359707734.db2.gz YFKDFMCSNRVUFG-UHFFFAOYSA-N 0 0 263.297 1.841 20 5 CDBDRN Cc1nc(N(C)[C@@H](C)C(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC000297376202 200168539 /nfs/dbraw/zinc/16/85/39/200168539.db2.gz DBPIIKMCGPIOAF-VIFPVBQESA-N 0 0 296.327 1.860 20 5 CDBDRN C[C@](O)(CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270138913 359905715 /nfs/dbraw/zinc/90/57/15/359905715.db2.gz ZNHMKIVKIOXMGQ-HNNXBMFYSA-N 0 0 292.335 1.805 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1CC1 ZINC000297778479 200279309 /nfs/dbraw/zinc/27/93/09/200279309.db2.gz 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Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(=O)[nH]1 ZINC000348114412 360432063 /nfs/dbraw/zinc/43/20/63/360432063.db2.gz LCBXKDKZUKOMQR-UHFFFAOYSA-N 0 0 276.252 1.595 20 5 CDBDRN C[C@H](C1CC1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000298694267 200506654 /nfs/dbraw/zinc/50/66/54/200506654.db2.gz GRBBHUWJRSCNEC-MRVPVSSYSA-N 0 0 252.274 1.048 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)C2=COCCO2)cc1[N+](=O)[O-] ZINC000177853277 189074307 /nfs/dbraw/zinc/07/43/07/189074307.db2.gz HVLDMMJSFGTSOL-JTQLQIEISA-N 0 0 292.291 1.969 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCCNC(=O)N(C)C)c1 ZINC000161065074 360537582 /nfs/dbraw/zinc/53/75/82/360537582.db2.gz FTQNJKFYHGNTPW-UHFFFAOYSA-N 0 0 282.300 1.287 20 5 CDBDRN COCC[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000178041625 189087633 /nfs/dbraw/zinc/08/76/33/189087633.db2.gz DNXGLQFMDRKBEZ-LBPRGKRZSA-N 0 0 269.301 1.498 20 5 CDBDRN C[C@@H](NC(=O)N(C)[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000130452921 360548065 /nfs/dbraw/zinc/54/80/65/360548065.db2.gz OTCVZWIBZWURHL-VHSXEESVSA-N 0 0 281.312 1.678 20 5 CDBDRN CCN1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000178144540 189092995 /nfs/dbraw/zinc/09/29/95/189092995.db2.gz MAYARXRHHYSQQD-UHFFFAOYSA-N 0 0 292.339 1.263 20 5 CDBDRN CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000178340329 189108510 /nfs/dbraw/zinc/10/85/10/189108510.db2.gz UXEJZRTVNRXHGD-SECBINFHSA-N 0 0 294.311 1.441 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H]1O ZINC000161074792 360622566 /nfs/dbraw/zinc/62/25/66/360622566.db2.gz YRZRFZVXRNKIEN-RYUDHWBXSA-N 0 0 264.281 1.167 20 5 CDBDRN Cc1cccnc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000178394450 189112614 /nfs/dbraw/zinc/11/26/14/189112614.db2.gz RJMBVNMRUDDVPQ-UHFFFAOYSA-N 0 0 290.283 1.316 20 5 CDBDRN COC(=O)NCCNc1c(C)cccc1[N+](=O)[O-] ZINC000308323802 360772159 /nfs/dbraw/zinc/77/21/59/360772159.db2.gz DIAUNHPZYVZTMB-UHFFFAOYSA-N 0 0 253.258 1.671 20 5 CDBDRN C[C@@H](O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000168120273 360769218 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ZINC000496560165 391923567 /nfs/dbraw/zinc/92/35/67/391923567.db2.gz WKFJCKKYTCJFPQ-VAOFZXAKSA-N 0 0 294.263 1.696 20 5 CDBDRN O=C(NCCCCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193293088 130608996 /nfs/dbraw/zinc/60/89/96/130608996.db2.gz FKWFJYAPEXHTHR-UHFFFAOYSA-N 0 0 272.688 1.751 20 5 CDBDRN O=[N+]([O-])c1ccccc1OCCN(CCO)CC(F)F ZINC000193407427 130620258 /nfs/dbraw/zinc/62/02/58/130620258.db2.gz VZXNNLOSZZLKDW-UHFFFAOYSA-N 0 0 290.266 1.533 20 5 CDBDRN COc1cccc(C(=O)N2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000194268848 392159148 /nfs/dbraw/zinc/15/91/48/392159148.db2.gz DUTLSJXOVPQIDW-SNVBAGLBSA-N 0 0 294.307 1.854 20 5 CDBDRN Cc1nn(C)c(N(C)Cc2cccc(C)n2)c1[N+](=O)[O-] ZINC000439602574 392098938 /nfs/dbraw/zinc/09/89/38/392098938.db2.gz RWWYMGNTJNEVAJ-UHFFFAOYSA-N 0 0 275.312 1.977 20 5 CDBDRN C[C@@H](CO)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000194442813 392181350 /nfs/dbraw/zinc/18/13/50/392181350.db2.gz QPUUDAJZCHQYBB-SECBINFHSA-N 0 0 267.285 1.022 20 5 CDBDRN 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ZINC000109891382 358476179 /nfs/dbraw/zinc/47/61/79/358476179.db2.gz YMSAMUVECZVYPW-UHFFFAOYSA-N 0 0 289.247 1.956 20 5 CDBDRN COC(=O)C1(NC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000154522896 188147809 /nfs/dbraw/zinc/14/78/09/188147809.db2.gz JKIJJEACFHHDPN-UHFFFAOYSA-N 0 0 278.264 1.420 20 5 CDBDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000155536655 188212775 /nfs/dbraw/zinc/21/27/75/188212775.db2.gz ONENFXBXOLFGAR-WZRBSPASSA-N 0 0 276.292 1.953 20 5 CDBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000156521619 188267002 /nfs/dbraw/zinc/26/70/02/188267002.db2.gz XHBGINGLRUGCDY-MCIONIFRSA-N 0 0 290.319 1.964 20 5 CDBDRN O=c1c([N+](=O)[O-])cccn1CCC1CCOCC1 ZINC000292556131 198330669 /nfs/dbraw/zinc/33/06/69/198330669.db2.gz CQCLAEWOGYTWAU-UHFFFAOYSA-N 0 0 252.270 1.573 20 5 CDBDRN CCC[C@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC000292598150 198346569 /nfs/dbraw/zinc/34/65/69/198346569.db2.gz BVOKMONJEQYTSM-JTQLQIEISA-N 0 0 280.328 1.954 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCOC1 ZINC000295203571 199402675 /nfs/dbraw/zinc/40/26/75/199402675.db2.gz CJRWMDXFSZHGQY-UHFFFAOYSA-N 0 0 286.309 1.190 20 5 CDBDRN CCOC(=O)[C@@H](F)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000292997888 198489944 /nfs/dbraw/zinc/48/99/44/198489944.db2.gz IXWGWGLFQYGJAB-JTQLQIEISA-N 0 0 283.259 1.327 20 5 CDBDRN CCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000161562980 188534275 /nfs/dbraw/zinc/53/42/75/188534275.db2.gz MMGFTZDWQYONGT-NSHDSACASA-N 0 0 297.359 1.867 20 5 CDBDRN CCn1cc(CNc2ncc([N+](=O)[O-])c(C)n2)cn1 ZINC000295673718 199614876 /nfs/dbraw/zinc/61/48/76/199614876.db2.gz KPVCZJXGAHOTGM-UHFFFAOYSA-N 0 0 262.273 1.522 20 5 CDBDRN Cc1cc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000365282385 363317758 /nfs/dbraw/zinc/31/77/58/363317758.db2.gz UFLORQAETSUECH-KWBADKCTSA-N 0 0 290.323 1.388 20 5 CDBDRN CN(C)C(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000573336889 363339825 /nfs/dbraw/zinc/33/98/25/363339825.db2.gz ZHJWTWGXNFEXED-SNVBAGLBSA-N 0 0 282.275 1.186 20 5 CDBDRN CCC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000457361131 366158646 /nfs/dbraw/zinc/15/86/46/366158646.db2.gz RAOYLZSFJCNBHR-UHFFFAOYSA-N 0 0 270.289 1.253 20 5 CDBDRN C[C@@H]1OCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1C ZINC000166774942 188638986 /nfs/dbraw/zinc/63/89/86/188638986.db2.gz CDOQFTGLCJHQHX-IUCAKERBSA-N 0 0 279.296 1.426 20 5 CDBDRN C[C@H]1OCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1C ZINC000166895705 188640433 /nfs/dbraw/zinc/64/04/33/188640433.db2.gz RPKGHXJOVNZYRL-RKDXNWHRSA-N 0 0 279.296 1.426 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCO ZINC000164863213 188628232 /nfs/dbraw/zinc/62/82/32/188628232.db2.gz FLKLYWUDYVYJEG-QMMMGPOBSA-N 0 0 268.269 1.104 20 5 CDBDRN C[C@@H](CO)Sc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000168747058 188652194 /nfs/dbraw/zinc/65/21/94/188652194.db2.gz BEVSJUGSJUQIPO-ZETCQYMHSA-N 0 0 291.350 1.471 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000170787908 188691226 /nfs/dbraw/zinc/69/12/26/188691226.db2.gz RGEKPNUWJCREPF-VIFPVBQESA-N 0 0 250.254 1.960 20 5 CDBDRN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411992896 363403158 /nfs/dbraw/zinc/40/31/58/363403158.db2.gz XNJBOYRAUFYNAQ-MFKMUULPSA-N 0 0 296.323 1.178 20 5 CDBDRN Cc1nc(N[C@@H](C)c2nncn2C)ccc1[N+](=O)[O-] ZINC000161523550 363394844 /nfs/dbraw/zinc/39/48/44/363394844.db2.gz IFAWQXHPSZYZLG-QMMMGPOBSA-N 0 0 262.273 1.600 20 5 CDBDRN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000171564686 188742721 /nfs/dbraw/zinc/74/27/21/188742721.db2.gz DOMMZVSGCROAEI-SECBINFHSA-N 0 0 284.341 1.145 20 5 CDBDRN CCCc1n[nH]c(C(=O)NC2CCSCC2)c1[N+](=O)[O-] ZINC000171806853 188760265 /nfs/dbraw/zinc/76/02/65/188760265.db2.gz LNTZTTWZZQXZBF-UHFFFAOYSA-N 0 0 298.368 1.896 20 5 CDBDRN COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172626223 188817325 /nfs/dbraw/zinc/81/73/25/188817325.db2.gz BUVJFYYAFRAREJ-GFCCVEGCSA-N 0 0 280.280 1.082 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC=CCC1 ZINC000172480131 188806358 /nfs/dbraw/zinc/80/63/58/188806358.db2.gz YBKZMOMZBAYXEP-JTQLQIEISA-N 0 0 264.285 1.406 20 5 CDBDRN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000271799350 191334563 /nfs/dbraw/zinc/33/45/63/191334563.db2.gz DEJWTAIZNVFSSC-WHGOUJPWSA-N 0 0 281.312 1.712 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174329968 188893027 /nfs/dbraw/zinc/89/30/27/188893027.db2.gz ZSWPVNWSPVZHGI-RYUDHWBXSA-N 0 0 292.339 1.891 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000272444241 191723310 /nfs/dbraw/zinc/72/33/10/191723310.db2.gz MWNMJYSQEYQHCR-GZMMTYOYSA-N 0 0 279.296 1.068 20 5 CDBDRN CCC(CC)[C@@H](O)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272647143 191844002 /nfs/dbraw/zinc/84/40/02/191844002.db2.gz MJCBZNWNQXSUCL-LBPRGKRZSA-N 0 0 295.339 1.704 20 5 CDBDRN CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000071894527 356013601 /nfs/dbraw/zinc/01/36/01/356013601.db2.gz ANIFKQUYHJQJJY-SNVBAGLBSA-N 0 0 263.297 1.557 20 5 CDBDRN CN(CC1(O)CCCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000559026706 356074765 /nfs/dbraw/zinc/07/47/65/356074765.db2.gz WCTPRGAGAOGVIN-UHFFFAOYSA-N 0 0 296.327 1.475 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)S1 ZINC000336432408 356177991 /nfs/dbraw/zinc/17/79/91/356177991.db2.gz GJNVDMBFUAKDQJ-RKDXNWHRSA-N 0 0 283.353 1.899 20 5 CDBDRN C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286007646 356200142 /nfs/dbraw/zinc/20/01/42/356200142.db2.gz JBJBVNRWOJRBLA-KKFJDGPESA-N 0 0 293.323 1.417 20 5 CDBDRN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccn(C)n1 ZINC000358464681 356262447 /nfs/dbraw/zinc/26/24/47/356262447.db2.gz UEOGWQWJBCTYHO-UHFFFAOYSA-N 0 0 293.258 1.326 20 5 CDBDRN COc1cc(C(=O)N2C[C@H](O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000401572893 356265520 /nfs/dbraw/zinc/26/55/20/356265520.db2.gz GHKPVCCJRDSHEU-GXSJLCMTSA-N 0 0 294.307 1.446 20 5 CDBDRN CCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O ZINC000286360433 356266299 /nfs/dbraw/zinc/26/62/99/356266299.db2.gz KVLHYTFDXHBKES-VIFPVBQESA-N 0 0 282.256 1.569 20 5 CDBDRN CCC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000336830078 356290108 /nfs/dbraw/zinc/29/01/08/356290108.db2.gz BJZBYVUWIPTGEI-SNVBAGLBSA-N 0 0 279.296 1.287 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC2(CCC2)O1 ZINC000578238788 356294110 /nfs/dbraw/zinc/29/41/10/356294110.db2.gz KFPLRSIYJYSRMB-SECBINFHSA-N 0 0 280.280 1.971 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[C@@H](C)O ZINC000164864062 356305304 /nfs/dbraw/zinc/30/53/04/356305304.db2.gz GWMNOFOJIPCDDU-RKDXNWHRSA-N 0 0 282.296 1.493 20 5 CDBDRN CCC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000308544008 356308825 /nfs/dbraw/zinc/30/88/25/356308825.db2.gz UHQWPVIKFSIDQA-UHFFFAOYSA-N 0 0 296.327 1.507 20 5 CDBDRN Cc1cc(NCc2ncccc2O)ncc1[N+](=O)[O-] ZINC000359896446 356435984 /nfs/dbraw/zinc/43/59/84/356435984.db2.gz HWFXUOFNHZXPHD-UHFFFAOYSA-N 0 0 260.253 1.433 20 5 CDBDRN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H](C)CO ZINC000293718076 198744196 /nfs/dbraw/zinc/74/41/96/198744196.db2.gz SFGQZYDGKDMBQK-SNVBAGLBSA-N 0 0 266.297 1.746 20 5 CDBDRN O=C(NC1CC1)N[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000273685740 192262246 /nfs/dbraw/zinc/26/22/46/192262246.db2.gz AQHXBVYZCKZQPD-NSHDSACASA-N 0 0 290.323 1.635 20 5 CDBDRN Nc1nc(N[C@H](CCO)c2ccco2)ncc1[N+](=O)[O-] ZINC000274424464 192586275 /nfs/dbraw/zinc/58/62/75/192586275.db2.gz QWNBQGOWILMWOE-SSDOTTSWSA-N 0 0 279.256 1.096 20 5 CDBDRN Cc1cc(N[C@H]2CCCN(C(N)=O)C2)c(F)cc1[N+](=O)[O-] ZINC000360090985 356723889 /nfs/dbraw/zinc/72/38/89/356723889.db2.gz SODRCXRYVWBZCY-VIFPVBQESA-N 0 0 296.302 1.997 20 5 CDBDRN COc1cc(CN2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000590762255 358512294 /nfs/dbraw/zinc/51/22/94/358512294.db2.gz LAGFGOOGBISUIO-PRHODGIISA-N 0 0 284.287 1.698 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)[C@@H]1CCOC1 ZINC000360267924 356941218 /nfs/dbraw/zinc/94/12/18/356941218.db2.gz QZMPBLZTVYNQFP-NEPJUHHUSA-N 0 0 280.324 1.960 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCS(=O)(=O)C1 ZINC000045910288 357131167 /nfs/dbraw/zinc/13/11/67/357131167.db2.gz PPDBAWKUXKBJLZ-MRVPVSSYSA-N 0 0 274.273 1.333 20 5 CDBDRN Cc1c(OC(=O)[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000048556551 357190263 /nfs/dbraw/zinc/19/02/63/357190263.db2.gz ALKBMQNMAZZFDI-LLVKDONJSA-N 0 0 267.237 1.224 20 5 CDBDRN C[C@H](NC(=O)Cn1nccc1[N+](=O)[O-])c1cccs1 ZINC000341227846 357206911 /nfs/dbraw/zinc/20/69/11/357206911.db2.gz PNKZOVLPAIHGSJ-QMMMGPOBSA-N 0 0 280.309 1.730 20 5 CDBDRN C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccs1 ZINC000048223304 357175176 /nfs/dbraw/zinc/17/51/76/357175176.db2.gz WKPCPSZDKQKYAP-ZETCQYMHSA-N 0 0 281.297 1.125 20 5 CDBDRN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106879517 357282782 /nfs/dbraw/zinc/28/27/82/357282782.db2.gz BEZDCAMBCBYMCK-VIFPVBQESA-N 0 0 254.261 1.955 20 5 CDBDRN COC(=O)c1ccc(OC[C@H]2CCOCO2)c([N+](=O)[O-])c1 ZINC000290699373 357288298 /nfs/dbraw/zinc/28/82/98/357288298.db2.gz VRMFEPURQMETCM-SNVBAGLBSA-N 0 0 297.263 1.523 20 5 CDBDRN CO[C@@H](C)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000181026071 357304736 /nfs/dbraw/zinc/30/47/36/357304736.db2.gz QMQSFLCNOVPKJQ-LURJTMIESA-N 0 0 291.101 1.554 20 5 CDBDRN COc1cccc(N2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000135061845 357315936 /nfs/dbraw/zinc/31/59/36/357315936.db2.gz VQZUAQPSJDSLJT-JTQLQIEISA-N 0 0 266.297 1.812 20 5 CDBDRN CCn1ncnc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343235 357331212 /nfs/dbraw/zinc/33/12/12/357331212.db2.gz BZRQILUZOPLKFI-UHFFFAOYSA-N 0 0 289.339 1.881 20 5 CDBDRN C[C@H]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000264520895 357355900 /nfs/dbraw/zinc/35/59/00/357355900.db2.gz KSNJXAWGBXZTKZ-XYPYZODXSA-N 0 0 280.328 1.876 20 5 CDBDRN COCC(COC)Nc1ccc([N+](=O)[O-])cc1C ZINC000388437513 357413106 /nfs/dbraw/zinc/41/31/06/357413106.db2.gz QPJGPEVAFPPECL-UHFFFAOYSA-N 0 0 254.286 1.977 20 5 CDBDRN Cc1c(CNC(=O)[C@H](C)n2cccn2)cccc1[N+](=O)[O-] ZINC000360531630 357422505 /nfs/dbraw/zinc/42/25/05/357422505.db2.gz YERGBERXLKHREJ-NSHDSACASA-N 0 0 288.307 1.977 20 5 CDBDRN Cc1c(CNC(=O)c2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000360540054 357433973 /nfs/dbraw/zinc/43/39/73/357433973.db2.gz KMOVGMKHCLDIBO-UHFFFAOYSA-N 0 0 260.253 1.556 20 5 CDBDRN COc1cc(C(=O)NC2CCC2)ccc1[N+](=O)[O-] ZINC000264551682 357379316 /nfs/dbraw/zinc/37/93/16/357379316.db2.gz RUTXVQJWEMTQHE-UHFFFAOYSA-N 0 0 250.254 1.886 20 5 CDBDRN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000286563849 357460979 /nfs/dbraw/zinc/46/09/79/357460979.db2.gz UARSUHOQIHJUMA-YUMQZZPRSA-N 0 0 252.274 1.579 20 5 CDBDRN CC(C)C(C)(C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000566329965 357466185 /nfs/dbraw/zinc/46/61/85/357466185.db2.gz QIHKGOFWZPZTEL-UHFFFAOYSA-N 0 0 266.301 1.935 20 5 CDBDRN CNC(=O)[C@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185399753 357538961 /nfs/dbraw/zinc/53/89/61/357538961.db2.gz BLRHMLKORZZEJG-JTQLQIEISA-N 0 0 293.323 1.566 20 5 CDBDRN O=C(NCCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000284023023 357627151 /nfs/dbraw/zinc/62/71/51/357627151.db2.gz HZCBXIDOINJBIM-UHFFFAOYSA-N 0 0 264.281 1.630 20 5 CDBDRN CCC(=O)[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000185835288 357582773 /nfs/dbraw/zinc/58/27/73/357582773.db2.gz DJXTZSBNQGBIMM-MRVPVSSYSA-N 0 0 280.284 1.292 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](F)C1 ZINC000334838539 357642221 /nfs/dbraw/zinc/64/22/21/357642221.db2.gz ILPFMZLEPDZRRI-VIFPVBQESA-N 0 0 270.235 1.847 20 5 CDBDRN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1CO ZINC000284109829 357642988 /nfs/dbraw/zinc/64/29/88/357642988.db2.gz NBERYAKNGLFGIG-RNCFNFMXSA-N 0 0 295.295 1.706 20 5 CDBDRN CN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186397186 357646812 /nfs/dbraw/zinc/64/68/12/357646812.db2.gz XFNPMLBOPLZZJT-QMMMGPOBSA-N 0 0 270.310 1.907 20 5 CDBDRN C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H]1CO ZINC000286642477 357647817 /nfs/dbraw/zinc/64/78/17/357647817.db2.gz KXRGPEFIIZWGJF-CBAPKCEASA-N 0 0 294.336 1.807 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C(N)=O)C1 ZINC000360843240 357697996 /nfs/dbraw/zinc/69/79/96/357697996.db2.gz UGKMVQPHEYWKRK-SNVBAGLBSA-N 0 0 291.307 1.499 20 5 CDBDRN CNc1nccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000566446162 357743990 /nfs/dbraw/zinc/74/39/90/357743990.db2.gz IIQWVHDWMYXTFH-UWVGGRQHSA-N 0 0 292.339 1.572 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000408072583 357810695 /nfs/dbraw/zinc/81/06/95/357810695.db2.gz NTIPZPNXAFAKNW-ZJUUUORDSA-N 0 0 295.314 1.899 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]1C1CCOCC1 ZINC000408077782 357816147 /nfs/dbraw/zinc/81/61/47/357816147.db2.gz CEQZEQXVAQFWED-LLVKDONJSA-N 0 0 294.311 1.349 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1C(C)(C)O ZINC000408088700 357822616 /nfs/dbraw/zinc/82/26/16/357822616.db2.gz QVZWWFGKBPZIJF-QMMMGPOBSA-N 0 0 254.290 1.068 20 5 CDBDRN Cc1cn2c(n1)[C@@H](CNc1ccc([N+](=O)[O-])cn1)CCC2 ZINC000361189220 357822889 /nfs/dbraw/zinc/82/28/89/357822889.db2.gz QLQNWNYGNPAJHC-LLVKDONJSA-N 0 0 287.323 1.906 20 5 CDBDRN CC[C@H](O)COc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000187943151 357826448 /nfs/dbraw/zinc/82/64/48/357826448.db2.gz UECCALJQMDFKBG-QMMMGPOBSA-N 0 0 269.253 1.531 20 5 CDBDRN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CS1 ZINC000335208876 357865449 /nfs/dbraw/zinc/86/54/49/357865449.db2.gz ASRSYRQWWRTLIE-SFYZADRCSA-N 0 0 269.326 1.557 20 5 CDBDRN CCOc1cc(OCC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000188584839 357914135 /nfs/dbraw/zinc/91/41/35/357914135.db2.gz FYAHIMXVUSCXFQ-UHFFFAOYSA-N 0 0 294.307 1.995 20 5 CDBDRN C[C@@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC=CCC1 ZINC000331360938 357919929 /nfs/dbraw/zinc/91/99/29/357919929.db2.gz YKWDQRFXJNDQPE-GFCCVEGCSA-N 0 0 264.285 1.406 20 5 CDBDRN CC[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188653448 357922214 /nfs/dbraw/zinc/92/22/14/357922214.db2.gz XGNJMZGHMLLRDA-LBPRGKRZSA-N 0 0 267.285 1.068 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CCO[C@@](C)(CC)C2)c1[N+](=O)[O-] ZINC000188862575 357946210 /nfs/dbraw/zinc/94/62/10/357946210.db2.gz XPHMTOWZYNNNON-ZDUSSCGKSA-N 0 0 296.327 1.521 20 5 CDBDRN O=C(NC[C@@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000294482332 199057210 /nfs/dbraw/zinc/05/72/10/199057210.db2.gz IXQSAUCGJOIRLZ-JTQLQIEISA-N 0 0 296.327 1.237 20 5 CDBDRN Cn1ncc2c1CCC[C@H]2NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294524456 199071732 /nfs/dbraw/zinc/07/17/32/199071732.db2.gz WPYRFUOGJNXRQC-LLVKDONJSA-N 0 0 294.355 1.749 20 5 CDBDRN CO[C@H](C)CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000286856263 358017773 /nfs/dbraw/zinc/01/77/73/358017773.db2.gz LJEJKCFOFGZDHM-LLVKDONJSA-N 0 0 295.339 1.814 20 5 CDBDRN CCOc1ccc(C(=O)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000097204668 358030883 /nfs/dbraw/zinc/03/08/83/358030883.db2.gz CCIGZEJNDWWUGV-MRVPVSSYSA-N 0 0 268.269 1.104 20 5 CDBDRN Cc1c(C(=O)N2CCC[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000286959771 358045212 /nfs/dbraw/zinc/04/52/12/358045212.db2.gz WUNUUIZQWXQTPV-CQSZACIVSA-N 0 0 296.298 1.840 20 5 CDBDRN CCC[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)OC ZINC000294619024 199109869 /nfs/dbraw/zinc/10/98/69/199109869.db2.gz IHAONCMRGGKEDA-VIFPVBQESA-N 0 0 299.302 1.861 20 5 CDBDRN C[C@H](CCO)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000296163661 199803229 /nfs/dbraw/zinc/80/32/29/199803229.db2.gz RBPKRJPWXJIZCD-VIFPVBQESA-N 0 0 284.287 1.872 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])NCC1=CCCOC1 ZINC000287142120 358105981 /nfs/dbraw/zinc/10/59/81/358105981.db2.gz PSKPEVFLVFIGEA-UHFFFAOYSA-N 0 0 291.307 1.741 20 5 CDBDRN CCn1nncc1C(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000294641401 199119469 /nfs/dbraw/zinc/11/94/69/199119469.db2.gz RIQXXHMCIRVFFW-UHFFFAOYSA-N 0 0 276.252 1.734 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](CO)C1 ZINC000287140004 358108066 /nfs/dbraw/zinc/10/80/66/358108066.db2.gz DPYLXDDJJKBYPN-JTQLQIEISA-N 0 0 294.307 1.508 20 5 CDBDRN CCNC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 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1.209 20 5 CDBDRN COC(=O)CCC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000195426391 358430474 /nfs/dbraw/zinc/43/04/74/358430474.db2.gz XUDIYHMMRDNVDJ-UHFFFAOYSA-N 0 0 281.264 1.804 20 5 CDBDRN CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000176077825 358552245 /nfs/dbraw/zinc/55/22/45/358552245.db2.gz AXEQPRKWGXINQI-UHFFFAOYSA-N 0 0 297.336 1.349 20 5 CDBDRN C[C@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000385039064 358561476 /nfs/dbraw/zinc/56/14/76/358561476.db2.gz PZYMKCLECHWDIO-KWQFWETISA-N 0 0 250.254 1.190 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]1O ZINC000132591127 358568954 /nfs/dbraw/zinc/56/89/54/358568954.db2.gz YENDPLLPYJZPNM-ZYHUDNBSSA-N 0 0 264.281 1.167 20 5 CDBDRN COC(=O)[C@H]1C[C@@H](O)CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000592000514 358580125 /nfs/dbraw/zinc/58/01/25/358580125.db2.gz JZSACNAHOYTHDW-DTWKUNHWSA-N 0 0 298.270 1.094 20 5 CDBDRN CCN(CCSC)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000592000327 358580183 /nfs/dbraw/zinc/58/01/83/358580183.db2.gz 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ZINC000281641086 195319136 /nfs/dbraw/zinc/31/91/36/195319136.db2.gz MKKKBKSKYYFMLG-UHFFFAOYSA-N 0 0 297.336 1.403 20 5 CDBDRN COCC[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281949124 195447678 /nfs/dbraw/zinc/44/76/78/195447678.db2.gz MBSHUFAWWXYACA-SNVBAGLBSA-N 0 0 297.311 1.422 20 5 CDBDRN CCO[C@@H]1CCC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000450940017 390580632 /nfs/dbraw/zinc/58/06/32/390580632.db2.gz NALCZUWEGDYKTR-RKDXNWHRSA-N 0 0 254.290 1.698 20 5 CDBDRN CC[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(=O)NC ZINC000450937868 390580732 /nfs/dbraw/zinc/58/07/32/390580732.db2.gz IIBQJPKVOJGIHX-ZETCQYMHSA-N 0 0 295.324 1.536 20 5 CDBDRN Nc1c(F)c(N2CC[C@@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000450953676 390583674 /nfs/dbraw/zinc/58/36/74/390583674.db2.gz LVPRNSYRXILWRT-SECBINFHSA-N 0 0 283.303 1.915 20 5 CDBDRN Cc1ccc(C(=O)N2CCNC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000371050178 390542841 /nfs/dbraw/zinc/54/28/41/390542841.db2.gz UPSZTOSEUSOGEK-SNVBAGLBSA-N 0 0 291.307 1.254 20 5 CDBDRN CCC1(CNc2ccc([N+](=O)[O-])c(C)n2)COC1 ZINC000450846145 390562730 /nfs/dbraw/zinc/56/27/30/390562730.db2.gz OPQBFNXXVJPOQK-UHFFFAOYSA-N 0 0 251.286 1.559 20 5 CDBDRN CNC(=O)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000450840954 390563944 /nfs/dbraw/zinc/56/39/44/390563944.db2.gz GVQZKFYYCLOZKM-MRVPVSSYSA-N 0 0 289.295 1.475 20 5 CDBDRN Nc1nc(N2CCC[C@]3(CCSC3)C2)ncc1[N+](=O)[O-] ZINC000450907438 390574527 /nfs/dbraw/zinc/57/45/27/390574527.db2.gz SNLLOQHLNWCYFY-LBPRGKRZSA-N 0 0 295.368 1.521 20 5 CDBDRN CC1(O)CC(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000451530904 390630946 /nfs/dbraw/zinc/63/09/46/390630946.db2.gz JDROHWPTFWQXDP-UHFFFAOYSA-N 0 0 268.244 1.833 20 5 CDBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)CCC1CC1 ZINC000283322909 195839720 /nfs/dbraw/zinc/83/97/20/195839720.db2.gz IYTBMJRGEKQQRH-UHFFFAOYSA-N 0 0 285.325 1.556 20 5 CDBDRN CCN1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)CC1=O ZINC000391513698 390612715 /nfs/dbraw/zinc/61/27/15/390612715.db2.gz PFVYRJYIFKPWNS-NSHDSACASA-N 0 0 263.297 1.936 20 5 CDBDRN CCNc1ccc(C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000048931151 390678678 /nfs/dbraw/zinc/67/86/78/390678678.db2.gz XQNGWOPFAYVLIG-LLVKDONJSA-N 0 0 293.323 1.935 20 5 CDBDRN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cn1 ZINC000515464839 390947690 /nfs/dbraw/zinc/94/76/90/390947690.db2.gz BRQMXLZIFBHAMF-UHFFFAOYSA-N 0 0 274.280 1.567 20 5 CDBDRN C[C@H]1CC(=O)N(Cc2c(F)cccc2[N+](=O)[O-])C1=O ZINC000179354865 390953198 /nfs/dbraw/zinc/95/31/98/390953198.db2.gz INXAPNHFLSPPLO-ZETCQYMHSA-N 0 0 266.228 1.629 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCOC2)C1 ZINC000153618805 390887418 /nfs/dbraw/zinc/88/74/18/390887418.db2.gz RFSKDRRGDSSUSO-HNNXBMFYSA-N 0 0 290.319 1.776 20 5 CDBDRN COC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000269696949 285396163 /nfs/dbraw/zinc/39/61/63/285396163.db2.gz IUZZNAFESCNXTP-VIFPVBQESA-N 0 0 296.327 1.596 20 5 CDBDRN NC(=O)[C@@H]1CCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153934085 390910268 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C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H](C)N1CCOCC1 ZINC000413125389 391162735 /nfs/dbraw/zinc/16/27/35/391162735.db2.gz QOUHNMJCCXBLFD-NXEZZACHSA-N 0 0 298.318 1.650 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C ZINC000354187487 391166812 /nfs/dbraw/zinc/16/68/12/391166812.db2.gz CDSFBXQEMLFXKO-LBPRGKRZSA-N 0 0 263.297 1.936 20 5 CDBDRN Cc1nc(N2CCO[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000413477886 391218495 /nfs/dbraw/zinc/21/84/95/391218495.db2.gz QQUZJXBZLLPQEL-SECBINFHSA-N 0 0 255.249 1.473 20 5 CDBDRN CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H](O)C(C)C ZINC000413550562 391238854 /nfs/dbraw/zinc/23/88/54/391238854.db2.gz WZPVJQPAKUSAJQ-BDAKNGLRSA-N 0 0 256.306 1.536 20 5 CDBDRN Cc1nc(N2CCn3cncc3C2)ccc1[N+](=O)[O-] ZINC000290615429 391214805 /nfs/dbraw/zinc/21/48/05/391214805.db2.gz FZPJXIADEQWBFT-UHFFFAOYSA-N 0 0 259.269 1.515 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CF)C1 ZINC000413855783 391270455 /nfs/dbraw/zinc/27/04/55/391270455.db2.gz NIXQLQLBQNHTGB-GFCCVEGCSA-N 0 0 282.271 1.334 20 5 CDBDRN C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CS1 ZINC000413966394 391281880 /nfs/dbraw/zinc/28/18/80/391281880.db2.gz ZGCABQCJXVMVLP-DTWKUNHWSA-N 0 0 298.368 1.537 20 5 CDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)(C)O ZINC000294068194 391322833 /nfs/dbraw/zinc/32/28/33/391322833.db2.gz VOEONDNNZFJAIK-LLVKDONJSA-N 0 0 299.302 1.595 20 5 CDBDRN CCc1ccnc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000437751642 391352022 /nfs/dbraw/zinc/35/20/22/391352022.db2.gz WASQLLOMJWQMHV-UHFFFAOYSA-N 0 0 274.280 1.810 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCCC1=CCCCC1 ZINC000160398084 391379778 /nfs/dbraw/zinc/37/97/78/391379778.db2.gz YNXLZIMABQOZGG-UHFFFAOYSA-N 0 0 278.312 1.949 20 5 CDBDRN Cc1c([C@@H]2C[C@H]2Nc2ncccc2[N+](=O)[O-])cnn1C ZINC000439120658 391422646 /nfs/dbraw/zinc/42/26/46/391422646.db2.gz ROQAAMWOQBZDNC-GXSJLCMTSA-N 0 0 273.296 2.000 20 5 CDBDRN CCc1n[nH]c(C(=O)NC2(COC)CCC2)c1[N+](=O)[O-] ZINC000285794078 391499516 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CN(CC[N@H+](C)C1CC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184787723 391740824 /nfs/dbraw/zinc/74/08/24/391740824.db2.gz IGFBTWISIMUQHR-UHFFFAOYSA-N 0 0 292.339 1.224 20 5 CDBDRN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000133366960 391744388 /nfs/dbraw/zinc/74/43/88/391744388.db2.gz NZDIYVNPIHCYQS-CHWSQXEVSA-N 0 0 278.308 1.970 20 5 CDBDRN Cc1cc(NC(=O)N2C[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000190145804 130065331 /nfs/dbraw/zinc/06/53/31/130065331.db2.gz VQCMPFJNMIENQB-MNOVXSKESA-N 0 0 293.323 1.995 20 5 CDBDRN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1O ZINC000341806333 130069360 /nfs/dbraw/zinc/06/93/60/130069360.db2.gz PGGYWILPISOLQM-RYUDHWBXSA-N 0 0 282.271 1.719 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000341925686 130134495 /nfs/dbraw/zinc/13/44/95/130134495.db2.gz HUGGNASUKDPJGP-RKDXNWHRSA-N 0 0 291.307 1.965 20 5 CDBDRN C[C@@H](O)C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000341959518 130174202 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CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000292972657 198480341 /nfs/dbraw/zinc/48/03/41/198480341.db2.gz WURNNNHOJIWOOH-MRVPVSSYSA-N 0 0 285.687 1.242 20 5 CDBDRN CC1(O)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000161257397 188517864 /nfs/dbraw/zinc/51/78/64/188517864.db2.gz UEELLECWNLJXEJ-UHFFFAOYSA-N 0 0 294.307 1.347 20 5 CDBDRN C[C@@H]1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])O1 ZINC000457358157 366153328 /nfs/dbraw/zinc/15/33/28/366153328.db2.gz JFEMAZSMRPAWMJ-RKDXNWHRSA-N 0 0 279.296 1.474 20 5 CDBDRN CCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000164851830 188628068 /nfs/dbraw/zinc/62/80/68/188628068.db2.gz WIAAQTWMVXFLAT-UHFFFAOYSA-N 0 0 268.269 1.058 20 5 CDBDRN C[C@H]1C[C@H]1c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000546479833 366172497 /nfs/dbraw/zinc/17/24/97/366172497.db2.gz VDDBRGPJHWKOND-IONNQARKSA-N 0 0 276.252 1.311 20 5 CDBDRN COCc1nn(Cc2ccc([N+](=O)[O-])c(F)c2)c(=O)o1 ZINC000170605618 188675203 /nfs/dbraw/zinc/67/52/03/188675203.db2.gz CYORURATLSIZCV-UHFFFAOYSA-N 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ZINC000042303820 678118336 /nfs/dbraw/zinc/11/83/36/678118336.db2.gz LTOYCBPHWWUCHP-RKDXNWHRSA-N 0 0 252.270 1.807 20 5 CDBDRN CCN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000078278538 678119573 /nfs/dbraw/zinc/11/95/73/678119573.db2.gz PHCNQMNEFJTBIX-UHFFFAOYSA-N 0 0 267.241 1.903 20 5 CDBDRN Cn1c(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000844995220 678149053 /nfs/dbraw/zinc/14/90/53/678149053.db2.gz WLDUZNMSIWIJBT-KNVOCYPGSA-N 0 0 271.223 1.270 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1Nc1ccc(C2(O)COC2)cc1 ZINC000808111039 678134522 /nfs/dbraw/zinc/13/45/22/678134522.db2.gz MINOKYZSSWDEEK-UHFFFAOYSA-N 0 0 290.279 1.290 20 5 CDBDRN Cc1c(C(=O)NC[C@H]2COCO2)cccc1[N+](=O)[O-] ZINC000861962729 678174634 /nfs/dbraw/zinc/17/46/34/678174634.db2.gz OBXFKBVXKCIQSR-VIFPVBQESA-N 0 0 266.253 1.006 20 5 CDBDRN O=[N+]([O-])c1cc(CNc2nnc(CO)o2)ccc1Cl ZINC000789880350 678179900 /nfs/dbraw/zinc/17/99/00/678179900.db2.gz KLPMWDRVLWDQPL-UHFFFAOYSA-N 0 0 284.659 1.736 20 5 CDBDRN 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Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000834743478 677753344 /nfs/dbraw/zinc/75/33/44/677753344.db2.gz LFFQFGNPGVRAGT-KYZUINATSA-N 0 0 282.271 1.543 20 5 CDBDRN C[C@]([NH3+])(C(=O)N[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000867948487 677761876 /nfs/dbraw/zinc/76/18/76/677761876.db2.gz XKTZUMMHAYHDCP-GXFFZTMASA-N 0 0 295.364 1.390 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000843845560 677763846 /nfs/dbraw/zinc/76/38/46/677763846.db2.gz IADLFJWBOGZFFV-WRWORJQWSA-N 0 0 282.271 1.495 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC(C)=NO2)n1 ZINC000853661466 677771192 /nfs/dbraw/zinc/77/11/92/677771192.db2.gz OLZLGJCPYMBFQX-MRVPVSSYSA-N 0 0 294.267 1.353 20 5 CDBDRN CC(C)(C(=O)Nc1ccc(F)nc1)n1cc([N+](=O)[O-])cn1 ZINC000135082688 677785638 /nfs/dbraw/zinc/78/56/38/677785638.db2.gz UKCHUMQPKISGIH-UHFFFAOYSA-N 0 0 293.258 1.699 20 5 CDBDRN Cc1cc(CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000819917021 677795568 /nfs/dbraw/zinc/79/55/68/677795568.db2.gz YVKJBHNUKPZAMH-UHFFFAOYSA-N 0 0 275.268 1.390 20 5 CDBDRN COC[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000886875673 677817413 /nfs/dbraw/zinc/81/74/13/677817413.db2.gz QNXYATNCBXBUEQ-SECBINFHSA-N 0 0 286.309 1.144 20 5 CDBDRN CC[C@H](COC(=O)c1c(N)cccc1[N+](=O)[O-])OC ZINC000842089374 677828476 /nfs/dbraw/zinc/82/84/76/677828476.db2.gz LYNDZIZYSBMYNL-MRVPVSSYSA-N 0 0 268.269 1.759 20 5 CDBDRN CC(=O)N[C@H](CCC(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860922796 677859004 /nfs/dbraw/zinc/85/90/04/677859004.db2.gz XYPWRONYPSMSSD-LLVKDONJSA-N 0 0 274.317 1.137 20 5 CDBDRN CC(C)(O)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000719696547 677879049 /nfs/dbraw/zinc/87/90/49/677879049.db2.gz VVCAWOIOKLWFQI-JTQLQIEISA-N 0 0 265.313 1.977 20 5 CDBDRN Cc1nn(CCC(=O)OCC(F)F)c(C)c1[N+](=O)[O-] ZINC000103652617 677917495 /nfs/dbraw/zinc/91/74/95/677917495.db2.gz RAUUSRFDSUQRLL-UHFFFAOYSA-N 0 0 277.227 1.607 20 5 CDBDRN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573091 677967738 /nfs/dbraw/zinc/96/77/38/677967738.db2.gz RXLXWTBYDKBION-LJWDBELGSA-N 0 0 278.308 1.503 20 5 CDBDRN C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000853966148 677990199 /nfs/dbraw/zinc/99/01/99/677990199.db2.gz ZNLXBDDMZPFZEW-TVQRCGJNSA-N 0 0 295.295 1.958 20 5 CDBDRN Cc1ncccc1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000810884085 678012427 /nfs/dbraw/zinc/01/24/27/678012427.db2.gz YAFSALWNWAZCIN-UHFFFAOYSA-N 0 0 275.264 1.994 20 5 CDBDRN Cc1ccc(CNC(=O)N2CC=C[C@H]2CO)cc1[N+](=O)[O-] ZINC000883803320 678016176 /nfs/dbraw/zinc/01/61/76/678016176.db2.gz BJLWOTPZTPUDMZ-LBPRGKRZSA-N 0 0 291.307 1.346 20 5 CDBDRN CC(=O)Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000171414710 678021111 /nfs/dbraw/zinc/02/11/11/678021111.db2.gz WPKPTDLMTLWLFR-UHFFFAOYSA-N 0 0 262.063 1.451 20 5 CDBDRN COCCOc1ccccc1C(=O)OCCC[N+](=O)[O-] ZINC000860916018 678051893 /nfs/dbraw/zinc/05/18/93/678051893.db2.gz LYBDBXZLGOKMLU-UHFFFAOYSA-N 0 0 283.280 1.535 20 5 CDBDRN C[C@H](C(=O)[O-])[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000851706665 678062559 /nfs/dbraw/zinc/06/25/59/678062559.db2.gz XGQCTKKHHFYXHD-NOZJJQNGSA-N 0 0 294.307 1.566 20 5 CDBDRN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)O1 ZINC000808206940 678094809 /nfs/dbraw/zinc/09/48/09/678094809.db2.gz FRFCKKCTJSRZBP-LHLIQPBNSA-N 0 0 298.682 1.682 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1CNc1ncn(C)n1 ZINC000871863988 678095697 /nfs/dbraw/zinc/09/56/97/678095697.db2.gz MFADGXWJBAONNU-UHFFFAOYSA-N 0 0 261.285 1.952 20 5 CDBDRN O=C(NCC[C@H]1CCC(F)(F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000889999450 678098383 /nfs/dbraw/zinc/09/83/83/678098383.db2.gz PULLTUVZZIAHAO-IWSPIJDZSA-N 0 0 262.256 1.593 20 5 CDBDRN COC(=O)C1(COC(=O)c2ccc([N+](=O)[O-])n2C)CCC1 ZINC000842428105 678120743 /nfs/dbraw/zinc/12/07/43/678120743.db2.gz NEULODBZTPZZQN-UHFFFAOYSA-N 0 0 296.279 1.433 20 5 CDBDRN CC(=O)c1c(N[C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000881999974 678142694 /nfs/dbraw/zinc/14/26/94/678142694.db2.gz QWCWXMFQNXOBQB-JTQLQIEISA-N 0 0 291.307 1.830 20 5 CDBDRN CO[C@@](C)(C(=O)OCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000812657889 678163049 /nfs/dbraw/zinc/16/30/49/678163049.db2.gz GWQPBEUDZWHJLL-GFCCVEGCSA-N 0 0 283.284 1.150 20 5 CDBDRN Cc1nn(CN2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121094792 678190344 /nfs/dbraw/zinc/19/03/44/678190344.db2.gz AQWAPTHXANIGHB-JTQLQIEISA-N 0 0 290.323 1.931 20 5 CDBDRN C[C@@H](c1ccco1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000840283734 678208205 /nfs/dbraw/zinc/20/82/05/678208205.db2.gz GRAVLIXLKFKSLH-JMJZKYOTSA-N 0 0 264.281 1.997 20 5 CDBDRN O=c1scnn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123964270 678209767 /nfs/dbraw/zinc/20/97/67/678209767.db2.gz BCILTEBZYYSHLU-UHFFFAOYSA-N 0 0 271.685 1.915 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccn1 ZINC000791289736 678231090 /nfs/dbraw/zinc/23/10/90/678231090.db2.gz INMQTBAEWUSGEX-LBPRGKRZSA-N 0 0 273.248 1.662 20 5 CDBDRN 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CC[C@@H](C)N(OC)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830469317 678641463 /nfs/dbraw/zinc/64/14/63/678641463.db2.gz SSEASSMRRINIHW-BXKDBHETSA-N 0 0 282.296 1.817 20 5 CDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C=CCC2)s1 ZINC000882561434 678648065 /nfs/dbraw/zinc/64/80/65/678648065.db2.gz SFZXYEYWAIAKGL-MRVPVSSYSA-N 0 0 288.350 1.901 20 5 CDBDRN Cc1noc([C@@H]2CCCN2Cn2cc([N+](=O)[O-])c(C)n2)n1 ZINC000795750818 678663835 /nfs/dbraw/zinc/66/38/35/678663835.db2.gz PMRNMHISYZDGGO-JTQLQIEISA-N 0 0 292.299 1.586 20 5 CDBDRN CCNC(=O)C[C@@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000835993699 678667299 /nfs/dbraw/zinc/66/72/99/678667299.db2.gz VXDDSFRAKYUZBB-SNVBAGLBSA-N 0 0 294.307 1.595 20 5 CDBDRN C[C@@H](C(=O)N[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1F ZINC000869094741 678670919 /nfs/dbraw/zinc/67/09/19/678670919.db2.gz ALEYUBOMXSPRFJ-HQJQHLMTSA-N 0 0 296.254 1.269 20 5 CDBDRN C[C@@H]1C[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)CO1 ZINC000812812472 678671947 /nfs/dbraw/zinc/67/19/47/678671947.db2.gz 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O=[N+]([O-])c1cc([N+](=O)[O-])n(CCO[C@@H]2CCCCO2)n1 ZINC000829842443 678750530 /nfs/dbraw/zinc/75/05/30/678750530.db2.gz LRBRMODHFLSUMV-SNVBAGLBSA-N 0 0 286.244 1.243 20 5 CDBDRN CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858580850 678752208 /nfs/dbraw/zinc/75/22/08/678752208.db2.gz YEWHFJZVDNRTKM-IUCAKERBSA-N 0 0 296.327 1.236 20 5 CDBDRN Cn1nc(C(=O)OCC(C)(C)[N+](=O)[O-])cc1OC(F)F ZINC000851127896 678762575 /nfs/dbraw/zinc/76/25/75/678762575.db2.gz ADSQXIXQYXXFRS-UHFFFAOYSA-N 0 0 293.226 1.234 20 5 CDBDRN C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1CO ZINC000882645608 678768226 /nfs/dbraw/zinc/76/82/26/678768226.db2.gz DLCUXPODCXBWIO-IUCAKERBSA-N 0 0 269.276 1.584 20 5 CDBDRN CCN[C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000863675809 678768435 /nfs/dbraw/zinc/76/84/35/678768435.db2.gz ZOSGVGGGDGOGCA-MRVPVSSYSA-N 0 0 256.306 1.728 20 5 CDBDRN COc1c(C(=O)OCc2cnnn2C)cccc1[N+](=O)[O-] ZINC000809134377 678771333 /nfs/dbraw/zinc/77/13/33/678771333.db2.gz 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COCc1cc([N+](=O)[O-])ccc1N1CC[C@@](C)(O)C1 ZINC000270563063 366902959 /nfs/dbraw/zinc/90/29/59/366902959.db2.gz KLTBPAORLGDQON-CYBMUJFWSA-N 0 0 266.297 1.702 20 5 CDBDRN CC[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270883684 366942476 /nfs/dbraw/zinc/94/24/76/366942476.db2.gz KKPUIWWMCAXSCI-GXFFZTMASA-N 0 0 293.323 1.236 20 5 CDBDRN CCc1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)[nH]1 ZINC000270724266 366925537 /nfs/dbraw/zinc/92/55/37/366925537.db2.gz ILXMMUBDWGXDAX-ZCFIWIBFSA-N 0 0 295.324 1.828 20 5 CDBDRN C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CS1 ZINC000413966152 240994948 /nfs/dbraw/zinc/99/49/48/240994948.db2.gz YPMSYURQRIYYJA-SFYZADRCSA-N 0 0 281.337 1.801 20 5 CDBDRN CC(C)OCC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000414001344 241014751 /nfs/dbraw/zinc/01/47/51/241014751.db2.gz PFHSDHHXEQCORV-UHFFFAOYSA-N 0 0 298.343 1.501 20 5 CDBDRN CC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000270817718 366936266 /nfs/dbraw/zinc/93/62/66/366936266.db2.gz 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O=C1CN(C2CC2)C(=O)N1CCc1ccccc1[N+](=O)[O-] ZINC000348620299 367583837 /nfs/dbraw/zinc/58/38/37/367583837.db2.gz JIZMAGOEVMDRQV-UHFFFAOYSA-N 0 0 289.291 1.564 20 5 CDBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000261983076 296105319 /nfs/dbraw/zinc/10/53/19/296105319.db2.gz IQSKWFXAAUSOHZ-MWLCHTKSSA-N 0 0 293.323 1.418 20 5 CDBDRN Nc1c(-c2nc([C@H]3CCOC3)no2)cccc1[N+](=O)[O-] ZINC000417269148 242392550 /nfs/dbraw/zinc/39/25/50/242392550.db2.gz AQBGGWZYUJXXGX-ZETCQYMHSA-N 0 0 276.252 1.731 20 5 CDBDRN O=C(NOC1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000272710908 367801695 /nfs/dbraw/zinc/80/16/95/367801695.db2.gz KNUALDFGKJLDBK-UHFFFAOYSA-N 0 0 266.257 1.986 20 5 CDBDRN CCN(CC)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272780039 368155349 /nfs/dbraw/zinc/15/53/49/368155349.db2.gz ADOBCKABQRDXIM-UHFFFAOYSA-N 0 0 278.355 1.906 20 5 CDBDRN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](C)O ZINC000456253105 252423890 /nfs/dbraw/zinc/42/38/90/252423890.db2.gz OIBYLLZDEIATGX-APPZFPTMSA-N 0 0 267.285 1.066 20 5 CDBDRN CCCCN(CC(N)=O)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000269366694 368724706 /nfs/dbraw/zinc/72/47/06/368724706.db2.gz XLYXAHKFYWPQTK-UHFFFAOYSA-N 0 0 293.323 1.889 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCC1(CCO)CCCC1 ZINC000330570511 202986339 /nfs/dbraw/zinc/98/63/39/202986339.db2.gz NREGECJLEQNDBN-UHFFFAOYSA-N 0 0 296.327 1.001 20 5 CDBDRN C[C@@H]1COCCN1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000330619311 203047952 /nfs/dbraw/zinc/04/79/52/203047952.db2.gz IHCWUTZYDXQSIN-SECBINFHSA-N 0 0 299.352 1.107 20 5 CDBDRN Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000330647699 203075737 /nfs/dbraw/zinc/07/57/37/203075737.db2.gz NBDNZVIUWMKHCP-JTQLQIEISA-N 0 0 296.327 1.135 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330635664 203062299 /nfs/dbraw/zinc/06/22/99/203062299.db2.gz AMXGHKGYANKVCL-QMMMGPOBSA-N 0 0 282.300 1.131 20 5 CDBDRN CC(C)C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000330754344 203194193 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ZINC000312239056 684009083 /nfs/dbraw/zinc/00/90/83/684009083.db2.gz BFTMJWGLGQRGDE-JTQLQIEISA-N 0 0 283.259 1.118 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2cc(F)c(F)cc2C1 ZINC000882401684 684012438 /nfs/dbraw/zinc/01/24/38/684012438.db2.gz DABNEZZIKQJXCY-BXKDBHETSA-N 0 0 282.246 1.515 20 5 CDBDRN Cc1cc(C(=O)O[C@@H](C)c2ncnn2C)ccc1[N+](=O)[O-] ZINC000835613292 684036143 /nfs/dbraw/zinc/03/61/43/684036143.db2.gz LFISLCCXIVPSDA-VIFPVBQESA-N 0 0 290.279 1.950 20 5 CDBDRN Cc1nc2cc(OC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2n1C ZINC000841246302 684043580 /nfs/dbraw/zinc/04/35/80/684043580.db2.gz CHYXTYUDTCHWFR-BXKDBHETSA-N 0 0 275.264 1.452 20 5 CDBDRN COC(=O)c1ccnc(NC[C@@H]2CC(C)=NO2)c1[N+](=O)[O-] ZINC000856763091 684044566 /nfs/dbraw/zinc/04/45/66/684044566.db2.gz YWEKOTRNWQQBII-QMMMGPOBSA-N 0 0 294.267 1.353 20 5 CDBDRN CC(=O)NC[C@H]1C[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001046229009 684050776 /nfs/dbraw/zinc/05/07/76/684050776.db2.gz WRIJINHNKLSXPW-PHIMTYICSA-N 0 0 278.312 1.625 20 5 CDBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccncn1)CC2 ZINC000777767254 684052049 /nfs/dbraw/zinc/05/20/49/684052049.db2.gz LKGAGVBQNQLTMU-UHFFFAOYSA-N 0 0 284.275 1.896 20 5 CDBDRN CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000843454225 684057864 /nfs/dbraw/zinc/05/78/64/684057864.db2.gz PQMLWLBCTKZRTA-LLVKDONJSA-N 0 0 295.314 1.948 20 5 CDBDRN CC(=O)NCCN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830148294 684059984 /nfs/dbraw/zinc/05/99/84/684059984.db2.gz QDUGZCSHHMDYJK-UHFFFAOYSA-N 0 0 296.283 1.071 20 5 CDBDRN O=C(NCc1ccon1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000093294976 684065007 /nfs/dbraw/zinc/06/50/07/684065007.db2.gz VJEMSBZTZUCEGS-UHFFFAOYSA-N 0 0 283.190 1.791 20 5 CDBDRN COc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813102301 684072620 /nfs/dbraw/zinc/07/26/20/684072620.db2.gz DPQRPDXOKUFHDK-SSDOTTSWSA-N 0 0 284.224 1.425 20 5 CDBDRN CO[C@@H](C)COC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000782333196 684072977 /nfs/dbraw/zinc/07/29/77/684072977.db2.gz UQPSVWBVQPYKME-QMMMGPOBSA-N 0 0 268.269 1.677 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000889995794 684073680 /nfs/dbraw/zinc/07/36/80/684073680.db2.gz JFJZYAKTMNAPJA-SECBINFHSA-N 0 0 294.311 1.616 20 5 CDBDRN CCn1cc(CN(C)c2ccnc(F)c2[N+](=O)[O-])cn1 ZINC000881982818 684084346 /nfs/dbraw/zinc/08/43/46/684084346.db2.gz KDUONWWZZILNHI-UHFFFAOYSA-N 0 0 279.275 1.982 20 5 CDBDRN C[C@@H](Cc1cccs1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839521401 684099265 /nfs/dbraw/zinc/09/92/65/684099265.db2.gz WFIYHBFYYMVGCN-FXBDTBDDSA-N 0 0 254.311 1.461 20 5 CDBDRN C[C@@H]1CN(C)C(=O)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782586181 684111893 /nfs/dbraw/zinc/11/18/93/684111893.db2.gz RVFRPLDSZNVPSO-SECBINFHSA-N 0 0 297.742 1.911 20 5 CDBDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000843666867 684114236 /nfs/dbraw/zinc/11/42/36/684114236.db2.gz WXOTVFRNFJOPPL-UMSGYPCISA-N 0 0 260.293 1.632 20 5 CDBDRN Cc1c([N+](=O)[O-])cc(C(=O)NC/C=C/CO)cc1[N+](=O)[O-] ZINC000855401386 684117564 /nfs/dbraw/zinc/11/75/64/684117564.db2.gz KBRMIJQWRZEVHV-NSCUHMNNSA-N 0 0 295.251 1.090 20 5 CDBDRN O=C(CCCc1ccccn1)OCCC[N+](=O)[O-] ZINC000860917592 684119555 /nfs/dbraw/zinc/11/95/55/684119555.db2.gz OJUFSSBITIIHAL-UHFFFAOYSA-N 0 0 252.270 1.614 20 5 CDBDRN Cc1cccc(C(=O)NCC2OCCCO2)c1[N+](=O)[O-] ZINC000716420094 684128232 /nfs/dbraw/zinc/12/82/32/684128232.db2.gz OOBAJTCTOGMWON-UHFFFAOYSA-N 0 0 280.280 1.396 20 5 CDBDRN CCCc1[nH]nc(C(=O)O[C@H](C)COC)c1[N+](=O)[O-] ZINC000796265057 684150969 /nfs/dbraw/zinc/15/09/69/684150969.db2.gz ITBSIQHOVLCAKA-SSDOTTSWSA-N 0 0 271.273 1.462 20 5 CDBDRN CC(=O)OCCCSc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000811840328 684151253 /nfs/dbraw/zinc/15/12/53/684151253.db2.gz BWVMFBXVWIKMDP-UHFFFAOYSA-N 0 0 299.308 1.134 20 5 CDBDRN Cc1cc(C(=O)OC[C@]2(C)COC(=O)N2)ccc1[N+](=O)[O-] ZINC000860989915 684161034 /nfs/dbraw/zinc/16/10/34/684161034.db2.gz FGQUVXDFSDRQRU-CYBMUJFWSA-N 0 0 294.263 1.559 20 5 CDBDRN Cc1c(Cl)c(C(=O)OCCC[N+](=O)[O-])nn1C ZINC000860919553 684168290 /nfs/dbraw/zinc/16/82/90/684168290.db2.gz QAMGIPMHDMSJSB-UHFFFAOYSA-N 0 0 261.665 1.206 20 5 CDBDRN C[C@]1(C2CC2)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000070285287 684187212 /nfs/dbraw/zinc/18/72/12/684187212.db2.gz FHZPBSNLELDMII-CYBMUJFWSA-N 0 0 275.264 1.820 20 5 CDBDRN C[C@@]1(OC(=O)c2cccc([N+](=O)[O-])c2)CNC(=O)C1 ZINC000838992748 684198729 /nfs/dbraw/zinc/19/87/29/684198729.db2.gz BRLCMVFOEJRUNY-LBPRGKRZSA-N 0 0 264.237 1.030 20 5 CDBDRN CN(C)c1cc(F)c(C(=O)NC/C=C/CO)cc1[N+](=O)[O-] ZINC000855399560 684201380 /nfs/dbraw/zinc/20/13/80/684201380.db2.gz NNDDHRQDDBCZIS-ONEGZZNKSA-N 0 0 297.286 1.078 20 5 CDBDRN O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CCCS1(=O)=O ZINC000848855601 684220315 /nfs/dbraw/zinc/22/03/15/684220315.db2.gz IGDXZUQBXGADHW-NSHDSACASA-N 0 0 299.304 1.215 20 5 CDBDRN CN(C)C(=O)c1cc(F)ccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840423547 684222693 /nfs/dbraw/zinc/22/26/93/684222693.db2.gz VBXSMHHLNXUHMI-MWLCHTKSSA-N 0 0 295.270 1.131 20 5 CDBDRN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852495629 684240764 /nfs/dbraw/zinc/24/07/64/684240764.db2.gz LWEJTNQGUHNHSA-GFCCVEGCSA-N 0 0 284.287 1.581 20 5 CDBDRN COC[C@](C)(O)C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778811318 684264548 /nfs/dbraw/zinc/26/45/48/684264548.db2.gz LAQORWOSFFYACC-YGRLFVJLSA-N 0 0 297.307 1.905 20 5 CDBDRN CC(C)OCCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781670206 684278668 /nfs/dbraw/zinc/27/86/68/684278668.db2.gz SYFUXWQKRMFORU-UHFFFAOYSA-N 0 0 269.257 1.154 20 5 CDBDRN Cc1cnc(NCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000228841179 1158738136 /nfs/dbraw/zinc/73/81/36/1158738136.db2.gz SVGGCPDCKHZIOO-UHFFFAOYSA-N 0 0 264.285 1.333 20 5 CDBDRN COc1ccc(C[C@@H](C)N2CC(F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170326617 1162337280 /nfs/dbraw/zinc/33/72/80/1162337280.db2.gz APSQIHLRPSYWGB-SNVBAGLBSA-N 0 0 298.314 1.551 20 5 CDBDRN COC(C)(CNc1cc(C)c([N+](=O)[O-])cn1)OC ZINC001170434263 1162431380 /nfs/dbraw/zinc/43/13/80/1162431380.db2.gz JRPZCQLFOYRYAW-UHFFFAOYSA-N 0 0 255.274 1.719 20 5 CDBDRN COC(C)(CNc1ccc2ncc([N+](=O)[O-])n2c1)OC ZINC001170438085 1162447158 /nfs/dbraw/zinc/44/71/58/1162447158.db2.gz VRQHALUMDNGTSJ-UHFFFAOYSA-N 0 0 280.284 1.663 20 5 CDBDRN COc1cc(N[C@H]2C[C@H](NC(C)=O)C2)cnc1[N+](=O)[O-] ZINC001170584346 1163055908 /nfs/dbraw/zinc/05/59/08/1163055908.db2.gz ZNXJOQKZNFAAEI-KYZUINATSA-N 0 0 280.284 1.077 20 5 CDBDRN CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)COC ZINC001106653748 1161160194 /nfs/dbraw/zinc/16/01/94/1161160194.db2.gz OBGDCHYVBHABEJ-UHFFFAOYSA-N 0 0 295.339 1.810 20 5 CDBDRN O=C(CCCF)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107444048 1161314694 /nfs/dbraw/zinc/31/46/94/1161314694.db2.gz SXNSSHJLLDEUIA-OWOJBTEDSA-N 0 0 296.302 1.824 20 5 CDBDRN COc1ccnc(NC[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001169455618 1162007497 /nfs/dbraw/zinc/00/74/97/1162007497.db2.gz ALSAZHVOKOTCEH-ZCFIWIBFSA-N 0 0 281.190 1.334 20 5 CDBDRN Cc1nc(N[C@H]2C[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC001157463341 1162100857 /nfs/dbraw/zinc/10/08/57/1162100857.db2.gz UMHAUXZQONBNNV-DTORHVGOSA-N 0 0 285.325 1.286 20 5 CDBDRN Cc1cc(N[C@H]2C[C@H](O)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605744364 1163657658 /nfs/dbraw/zinc/65/76/58/1163657658.db2.gz JWSIIHCPHCRQAA-KYZUINATSA-N 0 0 290.283 1.019 20 5 CDBDRN CN(CCCC[NH+](C)C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606023469 1163749760 /nfs/dbraw/zinc/74/97/60/1163749760.db2.gz QTXWIPVOUPAIDS-UHFFFAOYSA-N 0 0 296.327 1.466 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CSCCO ZINC001607083434 1164072049 /nfs/dbraw/zinc/07/20/49/1164072049.db2.gz FXHNOFZPWFEPNV-UHFFFAOYSA-N 0 0 281.297 1.000 20 5 CDBDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H](CO)CCF ZINC000869157881 1165029775 /nfs/dbraw/zinc/02/97/75/1165029775.db2.gz SWTHEJQZDLYIMM-VIFPVBQESA-N 0 0 288.250 1.113 20 5 CDBDRN O=C([O-])[C@@H]1CCCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001610801497 1165447232 /nfs/dbraw/zinc/44/72/32/1165447232.db2.gz PVSXSWUULPGWLO-NEPJUHHUSA-N 0 0 296.327 1.414 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@@H](C)C1 ZINC000061939561 1167694862 /nfs/dbraw/zinc/69/48/62/1167694862.db2.gz OLMGVVZTBCGQEL-JTQLQIEISA-N 0 0 293.323 1.888 20 5 CDBDRN CNc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC001578763917 1171998587 /nfs/dbraw/zinc/99/85/87/1171998587.db2.gz BXCCDLFNRWQQNW-UHFFFAOYSA-N 0 0 289.295 1.263 20 5 CDBDRN C[C@H]1CN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001590312838 1173346574 /nfs/dbraw/zinc/34/65/74/1173346574.db2.gz KULYHSYUZVRFMG-DTORHVGOSA-N 0 0 288.311 1.867 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H]2C[C@@H]21 ZINC001593469130 1174080422 /nfs/dbraw/zinc/08/04/22/1174080422.db2.gz XLVWCXFQMSQSPH-KCJUWKMLSA-N 0 0 286.295 1.764 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@H](CF)C1 ZINC001593481645 1174083458 /nfs/dbraw/zinc/08/34/58/1174083458.db2.gz TWIRZKIPDUUJJM-MRVPVSSYSA-N 0 0 292.274 1.571 20 5 CDBDRN 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CC[C@H](COC)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000079775069 374424157 /nfs/dbraw/zinc/42/41/57/374424157.db2.gz FKKVZGXZWCNSGL-SNVBAGLBSA-N 0 0 281.312 1.791 20 5 CDBDRN CC(C)C[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000160762111 374427690 /nfs/dbraw/zinc/42/76/90/374427690.db2.gz DOGFSUTVDOTOAW-SNVBAGLBSA-N 0 0 283.332 1.525 20 5 CDBDRN C[C@@H](CO)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079967342 374432097 /nfs/dbraw/zinc/43/20/97/374432097.db2.gz BHUJSKOURADMBE-IUCAKERBSA-N 0 0 267.285 1.336 20 5 CDBDRN CSc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)nc1 ZINC000116236372 374461866 /nfs/dbraw/zinc/46/18/66/374461866.db2.gz XCYNHEDZSVDPRO-UHFFFAOYSA-N 0 0 293.308 1.547 20 5 CDBDRN Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000299177425 374482443 /nfs/dbraw/zinc/48/24/43/374482443.db2.gz YFCXKCRDFQASCX-SVRRBLITSA-N 0 0 252.274 1.023 20 5 CDBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000375697886 374509253 /nfs/dbraw/zinc/50/92/53/374509253.db2.gz 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1.124 20 5 CDBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO ZINC000184678317 148363818 /nfs/dbraw/zinc/36/38/18/148363818.db2.gz WJKPQRZKACVZGD-LBPRGKRZSA-N 0 0 280.324 1.662 20 5 CDBDRN COc1cccc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000192909419 148596961 /nfs/dbraw/zinc/59/69/61/148596961.db2.gz GQLDKWNSPTUFJG-WDEREUQCSA-N 0 0 294.307 1.493 20 5 CDBDRN O=c1ccn(C[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000310761984 149200134 /nfs/dbraw/zinc/20/01/34/149200134.db2.gz MUCSLMCYUFJHGB-ZJUUUORDSA-N 0 0 252.270 1.308 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)C(F)F ZINC000310837211 149203788 /nfs/dbraw/zinc/20/37/88/149203788.db2.gz LNBBLSPGZMDPCK-LURJTMIESA-N 0 0 264.232 1.158 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H](CO)C2)nc1 ZINC000312010522 149226312 /nfs/dbraw/zinc/22/63/12/149226312.db2.gz UAPUFUCDEZVXRE-VHSXEESVSA-N 0 0 266.301 1.595 20 5 CDBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)N1CCOCC1 ZINC000312179909 149228046 /nfs/dbraw/zinc/22/80/46/149228046.db2.gz 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ZINC000344977940 152701726 /nfs/dbraw/zinc/70/17/26/152701726.db2.gz FEHBQTOUPFITKP-UHFFFAOYSA-N 0 0 287.275 1.813 20 5 CDBDRN Cc1c(NC(=O)[C@H]2COCCN2C)cccc1[N+](=O)[O-] ZINC000345689316 152914307 /nfs/dbraw/zinc/91/43/07/152914307.db2.gz JYAXTJUODUJFNJ-GFCCVEGCSA-N 0 0 279.296 1.172 20 5 CDBDRN CCNC(=O)[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345947563 153005990 /nfs/dbraw/zinc/00/59/90/153005990.db2.gz DEVUBCCTXBUALB-ZETCQYMHSA-N 0 0 299.714 1.503 20 5 CDBDRN CC(C)[C@H](CO)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000345958826 153009101 /nfs/dbraw/zinc/00/91/01/153009101.db2.gz NCULNCLMTNBKNH-QMMMGPOBSA-N 0 0 256.258 1.182 20 5 CDBDRN COC(=O)C(C)(C)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346019453 153026661 /nfs/dbraw/zinc/02/66/61/153026661.db2.gz SKHNRAIEZMSNKZ-UHFFFAOYSA-N 0 0 296.323 1.857 20 5 CDBDRN CN(CC[C@H]1CCCO1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000346133836 153065194 /nfs/dbraw/zinc/06/51/94/153065194.db2.gz KYPAEYCXXJSQJU-SNVBAGLBSA-N 0 0 295.295 1.337 20 5 CDBDRN 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0 278.312 1.733 20 5 CDBDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H](CCO)C1 ZINC000123120174 279430595 /nfs/dbraw/zinc/43/05/95/279430595.db2.gz WNMWHBSGJQMUBO-BTDICHCPSA-N 0 0 290.319 1.839 20 5 CDBDRN NC(=O)c1ccc(N2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293949283 279602848 /nfs/dbraw/zinc/60/28/48/279602848.db2.gz GLGVYVVPRGCHRJ-JTQLQIEISA-N 0 0 293.323 1.293 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ncoc2C)c1 ZINC000134454420 279778329 /nfs/dbraw/zinc/77/83/29/279778329.db2.gz LRUPQQDLJLXKHL-UHFFFAOYSA-N 0 0 291.263 1.830 20 5 CDBDRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC(F)(F)CO ZINC000186070707 279926528 /nfs/dbraw/zinc/92/65/28/279926528.db2.gz WVVBHIKTRPIYEQ-SNAWJCMRSA-N 0 0 286.234 1.352 20 5 CDBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnns1 ZINC000191303095 279968780 /nfs/dbraw/zinc/96/87/80/279968780.db2.gz JZUYNMKIZSXIAQ-UHFFFAOYSA-N 0 0 293.308 1.887 20 5 CDBDRN CCC[C@@H](CC)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194905497 280062221 /nfs/dbraw/zinc/06/22/21/280062221.db2.gz AIYSMZFNEDZTOW-SECBINFHSA-N 0 0 254.290 1.486 20 5 CDBDRN COC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000195297890 280077867 /nfs/dbraw/zinc/07/78/67/280077867.db2.gz YYEDDGDRPXGXGO-SECBINFHSA-N 0 0 282.296 1.710 20 5 CDBDRN Cc1nn(C)c(NC[C@H](O)c2ccsc2)c1[N+](=O)[O-] ZINC000218910708 280091433 /nfs/dbraw/zinc/09/14/33/280091433.db2.gz JAXGYESMTHCSGJ-VIFPVBQESA-N 0 0 282.325 1.844 20 5 CDBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H](O)C(F)F ZINC000230233214 280115264 /nfs/dbraw/zinc/11/52/64/280115264.db2.gz YLDAWCIFXDTHRX-YVGDHZEHSA-N 0 0 286.234 1.350 20 5 CDBDRN CC[C@@H]([NH3+])CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420255070 280163724 /nfs/dbraw/zinc/16/37/24/280163724.db2.gz BCLRBKRPMONJJA-SECBINFHSA-N 0 0 277.284 1.216 20 5 CDBDRN CC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000458471003 280175206 /nfs/dbraw/zinc/17/52/06/280175206.db2.gz KONBJUQNRMGKNQ-CMPLNLGQSA-N 0 0 295.339 1.596 20 5 CDBDRN CC(C)[C@H](C)N(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000136639624 280204388 /nfs/dbraw/zinc/20/43/88/280204388.db2.gz XXNMAVOOGUMXKM-QMMMGPOBSA-N 0 0 266.301 1.967 20 5 CDBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000361659414 288214562 /nfs/dbraw/zinc/21/45/62/288214562.db2.gz HFWDRWIBNMJGMS-JUYAQVABSA-N 0 0 282.365 1.936 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC[C@H]3OCCC[C@H]3C2)nc1 ZINC000302203693 280380860 /nfs/dbraw/zinc/38/08/60/280380860.db2.gz CAHVMDPFYOOABY-GXSJLCMTSA-N 0 0 264.285 1.390 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000408469607 280380935 /nfs/dbraw/zinc/38/09/35/280380935.db2.gz PLZOAMBBWKDYQP-UWVGGRQHSA-N 0 0 281.287 1.992 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000264754466 280394378 /nfs/dbraw/zinc/39/43/78/280394378.db2.gz LONHMQPMKBMIAD-VXNVDRBHSA-N 0 0 282.300 1.266 20 5 CDBDRN O=c1ccn(-c2c(F)c(F)nc(F)c2F)cc1[N+](=O)[O-] ZINC000301638724 280395482 /nfs/dbraw/zinc/39/54/82/280395482.db2.gz MMBONMJWMFFESJ-UHFFFAOYSA-N 0 0 289.144 1.697 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](O)C[C@@H]1C ZINC000421863921 280400341 /nfs/dbraw/zinc/40/03/41/280400341.db2.gz ATPMQMULFVAWTD-WDEREUQCSA-N 0 0 278.308 1.807 20 5 CDBDRN CC[C@@](COC)(NCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000459566331 280631588 /nfs/dbraw/zinc/63/15/88/280631588.db2.gz YRJRCUACGDBAOW-AWEZNQCLSA-N 0 0 296.323 1.653 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)O[C@H](CO)C1 ZINC000299974117 280661917 /nfs/dbraw/zinc/66/19/17/280661917.db2.gz YGVGXZMDCFYBCT-PWSUYJOCSA-N 0 0 266.297 1.489 20 5 CDBDRN Cc1nn(C)c(NCc2ccnc(C)c2)c1[N+](=O)[O-] ZINC000391227060 280680698 /nfs/dbraw/zinc/68/06/98/280680698.db2.gz RBWOERFMVKDEQH-UHFFFAOYSA-N 0 0 261.285 1.952 20 5 CDBDRN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC(=O)N1 ZINC000295752112 288276050 /nfs/dbraw/zinc/27/60/50/288276050.db2.gz NXGAGDXKWWKZRV-SECBINFHSA-N 0 0 286.291 1.468 20 5 CDBDRN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCCO1 ZINC000171047415 288276672 /nfs/dbraw/zinc/27/66/72/288276672.db2.gz ALBUREBOORDPSJ-MRVPVSSYSA-N 0 0 282.325 1.919 20 5 CDBDRN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[S@]1=O ZINC000434958900 288278380 /nfs/dbraw/zinc/27/83/80/288278380.db2.gz PXGXFVXKIGOGBY-MDTSDYNXSA-N 0 0 289.744 1.600 20 5 CDBDRN C[C@@H](c1nccc(N)n1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000516948562 280956717 /nfs/dbraw/zinc/95/67/17/280956717.db2.gz QCLINNJIASPKMR-JTQLQIEISA-N 0 0 287.323 1.990 20 5 CDBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC ZINC000330828995 280979183 /nfs/dbraw/zinc/97/91/83/280979183.db2.gz PLHXTCABGGSUOL-VIFPVBQESA-N 0 0 283.332 1.306 20 5 CDBDRN CC[C@]1(O)CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000490062558 281353715 /nfs/dbraw/zinc/35/37/15/281353715.db2.gz MGXDPUSYKKVWKE-LBPRGKRZSA-N 0 0 251.286 1.649 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CCC(C)(C)C ZINC000530318449 281458879 /nfs/dbraw/zinc/45/88/79/281458879.db2.gz WSJICMIWDROHNH-JTQLQIEISA-N 0 0 297.355 1.850 20 5 CDBDRN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)S1 ZINC000530624149 281562052 /nfs/dbraw/zinc/56/20/52/281562052.db2.gz PXICOFWZJBUVCA-RKDXNWHRSA-N 0 0 270.358 1.654 20 5 CDBDRN CO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1(C)C ZINC000531476041 281777904 /nfs/dbraw/zinc/77/79/04/281777904.db2.gz WWCCKTOWEPVBJR-GHMZBOCLSA-N 0 0 281.312 1.477 20 5 CDBDRN COC(C)(C)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000531573265 281799375 /nfs/dbraw/zinc/79/93/75/281799375.db2.gz VAQHOBKNUMNCMM-UHFFFAOYSA-N 0 0 255.274 1.420 20 5 CDBDRN O=C(NC1(C2CC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531860891 281854058 /nfs/dbraw/zinc/85/40/58/281854058.db2.gz DDBQIWPKYYXYAD-UHFFFAOYSA-N 0 0 290.275 1.996 20 5 CDBDRN O=C(Nc1nc2cccnc2[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000532028002 281890866 /nfs/dbraw/zinc/89/08/66/281890866.db2.gz RUMUFEKSKXOYIQ-UHFFFAOYSA-N 0 0 284.235 1.513 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000532615636 282007574 /nfs/dbraw/zinc/00/75/74/282007574.db2.gz GELIBQLYZLMRIQ-MWLCHTKSSA-N 0 0 293.323 1.291 20 5 CDBDRN COc1ccc(CC(=O)NC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000532790742 282041758 /nfs/dbraw/zinc/04/17/58/282041758.db2.gz HKQWZWJVHYBVRQ-GFCCVEGCSA-N 0 0 294.307 1.033 20 5 CDBDRN COCC[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000101577866 292674661 /nfs/dbraw/zinc/67/46/61/292674661.db2.gz BHJWVWKLFKOAEI-VIFPVBQESA-N 0 0 288.325 1.298 20 5 CDBDRN CCc1nn(C)c(N2CC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000364911160 288647762 /nfs/dbraw/zinc/64/77/62/288647762.db2.gz VDOMSVQTZOEGCW-MNOVXSKESA-N 0 0 294.355 1.754 20 5 CDBDRN CC[C@H](CCO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000151983610 289111708 /nfs/dbraw/zinc/11/17/08/289111708.db2.gz HFOGZLWWMPEOSB-MRVPVSSYSA-N 0 0 292.295 1.362 20 5 CDBDRN CC[C@@H](CCO)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000152092195 289116116 /nfs/dbraw/zinc/11/61/16/289116116.db2.gz ZVATYCLCIRPCML-NSHDSACASA-N 0 0 295.339 1.674 20 5 CDBDRN CSCCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000152437794 289133441 /nfs/dbraw/zinc/13/34/41/289133441.db2.gz KISHCJNLBBXMHB-UHFFFAOYSA-N 0 0 286.357 1.348 20 5 CDBDRN C[C@@]1(O)CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347409964 289213011 /nfs/dbraw/zinc/21/30/11/289213011.db2.gz DMBGXTLHRWBGGJ-CYBMUJFWSA-N 0 0 274.280 1.499 20 5 CDBDRN O=[N+]([O-])c1cnn(CC[S@](=O)c2ccc(O)cc2)c1 ZINC000158816240 289317988 /nfs/dbraw/zinc/31/79/88/289317988.db2.gz LGJJEQGKGAIIME-LJQANCHMSA-N 0 0 281.293 1.305 20 5 CDBDRN C[C@H](CCO)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000158920874 289320555 /nfs/dbraw/zinc/32/05/55/289320555.db2.gz DINFHNPMYYEIEA-RXNUUUNCSA-N 0 0 296.298 1.882 20 5 CDBDRN CN(C)c1noc(CNCc2csc([N+](=O)[O-])c2)n1 ZINC000190972361 289443537 /nfs/dbraw/zinc/44/35/37/289443537.db2.gz FWHNOQVXZSMCLV-UHFFFAOYSA-N 0 0 283.313 1.395 20 5 CDBDRN O=C(NCCc1cccc(F)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548079136 289839859 /nfs/dbraw/zinc/83/98/59/289839859.db2.gz RRNZMQIOVMUKHG-UHFFFAOYSA-N 0 0 278.243 1.430 20 5 CDBDRN Cc1cc(C)nc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000548964565 289949229 /nfs/dbraw/zinc/94/92/29/289949229.db2.gz JNMOWQNMLCRHBG-UHFFFAOYSA-N 0 0 261.241 1.582 20 5 CDBDRN Cc1ccnc(N2CC[C@@H](C)[S@](=O)CC2)c1[N+](=O)[O-] ZINC000277215730 292777232 /nfs/dbraw/zinc/77/72/32/292777232.db2.gz REGOUBVQJULNHR-GIGQVBGESA-N 0 0 283.353 1.646 20 5 CDBDRN O=C(NC[C@@H]1CCC(F)(F)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000549377449 289965197 /nfs/dbraw/zinc/96/51/97/289965197.db2.gz ZREHPDTZOUODMQ-ZCFIWIBFSA-N 0 0 274.227 1.483 20 5 CDBDRN CC(C)Cn1nccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554834892 290193765 /nfs/dbraw/zinc/19/37/65/290193765.db2.gz MOWYFAQAYZTZOB-UHFFFAOYSA-N 0 0 278.272 1.423 20 5 CDBDRN Cc1[nH]nc2ncc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc12 ZINC000554877709 290195517 /nfs/dbraw/zinc/19/55/17/290195517.db2.gz NCWYOQPWBFUCHB-UHFFFAOYSA-N 0 0 287.239 1.150 20 5 CDBDRN CC(C)CCc1cc(=NC(=O)c2c[nH]nc2[N+](=O)[O-])[nH][nH]1 ZINC000555300357 290213128 /nfs/dbraw/zinc/21/31/28/290213128.db2.gz FIEPWNDFORPXGM-UHFFFAOYSA-N 0 0 292.299 1.304 20 5 CDBDRN C[C@@H]1Cc2ccccc2N1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000160891630 292796225 /nfs/dbraw/zinc/79/62/25/292796225.db2.gz UNJAXLLLRAWEJN-SECBINFHSA-N 0 0 286.291 1.920 20 5 CDBDRN CC(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)cn1 ZINC000555955370 290248515 /nfs/dbraw/zinc/24/85/15/290248515.db2.gz XSVTVNQFSWLMEC-UHFFFAOYSA-N 0 0 277.284 1.963 20 5 CDBDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)o1 ZINC000556798589 290300267 /nfs/dbraw/zinc/30/02/67/290300267.db2.gz YSWODOCWELOSGH-VXNVDRBHSA-N 0 0 290.279 1.964 20 5 CDBDRN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cn2)on1 ZINC000557132568 290330748 /nfs/dbraw/zinc/33/07/48/290330748.db2.gz NDVJEUJZQBJHEB-UHFFFAOYSA-N 0 0 276.252 1.259 20 5 CDBDRN C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356473956 290380805 /nfs/dbraw/zinc/38/08/05/290380805.db2.gz FCGOSWFGGXMGQY-QMMMGPOBSA-N 0 0 252.274 1.343 20 5 CDBDRN COC[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000450932318 292877972 /nfs/dbraw/zinc/87/79/72/292877972.db2.gz CLJPCBPQWCVUGM-JTQLQIEISA-N 0 0 251.286 1.995 20 5 CDBDRN Cc1nc(N2CC[S@@](=O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278224514 293303695 /nfs/dbraw/zinc/30/36/95/293303695.db2.gz SFCUWMCDQQFNHX-AYLIAGHASA-N 0 0 283.353 1.503 20 5 CDBDRN CNc1nccc(C(=O)N[C@@H]2CC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000564345629 293347425 /nfs/dbraw/zinc/34/74/25/293347425.db2.gz CPQPXKGEEPAXFB-HTQZYQBOSA-N 0 0 282.275 1.074 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(OC[C@@H](O)CSC)c1 ZINC000567167462 293727195 /nfs/dbraw/zinc/72/71/95/293727195.db2.gz VRXKSHJYUMGJNH-MRVPVSSYSA-N 0 0 273.310 1.706 20 5 CDBDRN C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(C(=O)[O-])CC1 ZINC000568642066 294075425 /nfs/dbraw/zinc/07/54/25/294075425.db2.gz WWDWGJCRPJZEHV-UHFFFAOYSA-N 0 0 278.308 1.934 20 5 CDBDRN Cc1ccc(CCNc2ncc([N+](=O)[O-])c(C)n2)cn1 ZINC000568950750 294127237 /nfs/dbraw/zinc/12/72/37/294127237.db2.gz IXTGLIPIDPPKPS-UHFFFAOYSA-N 0 0 273.296 1.473 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000438892548 294461759 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293.323 1.481 20 5 CDBDRN CN(CC(C)(CO)CO)c1ccc([N+](=O)[O-])cc1F ZINC000301716590 201157865 /nfs/dbraw/zinc/15/78/65/201157865.db2.gz KFQTVGGSICBBOR-UHFFFAOYSA-N 0 0 272.276 1.161 20 5 CDBDRN CN(CCN1CCCC1=O)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301744468 201173177 /nfs/dbraw/zinc/17/31/77/201173177.db2.gz NHIHNHZIYZYIGU-UHFFFAOYSA-N 0 0 298.730 1.702 20 5 CDBDRN O=C(NCCC[C@H]1CCCCO1)c1[nH]ncc1[N+](=O)[O-] ZINC000184345586 189383534 /nfs/dbraw/zinc/38/35/34/189383534.db2.gz XDTCOEUBLMPQKF-SECBINFHSA-N 0 0 282.300 1.397 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2C(F)F)c1 ZINC000345766329 361534424 /nfs/dbraw/zinc/53/44/24/361534424.db2.gz ABHHONIQKFRFPV-IONNQARKSA-N 0 0 286.234 1.987 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)c1ccncc1 ZINC000301811826 201212594 /nfs/dbraw/zinc/21/25/94/201212594.db2.gz YDIQDQAGWHYMLI-GFCCVEGCSA-N 0 0 274.280 1.839 20 5 CDBDRN Cc1ccc(-n2cnnc2[S@](C)=O)c([N+](=O)[O-])c1 ZINC000301826469 201220554 /nfs/dbraw/zinc/22/05/54/201220554.db2.gz PAWCLKJTHHWKIH-SFHVURJKSA-N 0 0 266.282 1.221 20 5 CDBDRN Cc1cc(NC(=O)N2CCNC(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000184601928 189390533 /nfs/dbraw/zinc/39/05/33/189390533.db2.gz GGSVBIXBILPVJU-VIFPVBQESA-N 0 0 292.295 1.255 20 5 CDBDRN COc1cc(N(C)C[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000301911857 201258894 /nfs/dbraw/zinc/25/88/94/201258894.db2.gz SUVMJXQKSRPDIZ-GFCCVEGCSA-N 0 0 266.297 1.811 20 5 CDBDRN CNC(=O)[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000301922438 201265617 /nfs/dbraw/zinc/26/56/17/201265617.db2.gz FBBGSHGBLJSLOB-QMMMGPOBSA-N 0 0 269.326 1.619 20 5 CDBDRN Cc1nn(C)c(N(C)Cc2ncc(Cl)n2C)c1[N+](=O)[O-] ZINC000302032366 201308296 /nfs/dbraw/zinc/30/82/96/201308296.db2.gz IWHDZQARYAYZOV-UHFFFAOYSA-N 0 0 298.734 1.660 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1nnc(C)[nH]1 ZINC000286677674 239145385 /nfs/dbraw/zinc/14/53/85/239145385.db2.gz YFNRQBLUBAANQH-ZETCQYMHSA-N 0 0 279.304 1.719 20 5 CDBDRN CNC(=O)C1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000186156836 189431079 /nfs/dbraw/zinc/43/10/79/189431079.db2.gz INBSHFBKJUANRO-UHFFFAOYSA-N 0 0 297.698 1.066 20 5 CDBDRN COc1ccc(OCCNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302145527 201365832 /nfs/dbraw/zinc/36/58/32/201365832.db2.gz HLXNNBYBWXHOSC-UHFFFAOYSA-N 0 0 290.279 1.884 20 5 CDBDRN Cc1ccccc1[C@@H](O)CNc1ncc([N+](=O)[O-])cn1 ZINC000302159506 201373543 /nfs/dbraw/zinc/37/35/43/201373543.db2.gz OLCOAMYHAOYPKO-LBPRGKRZSA-N 0 0 274.280 1.839 20 5 CDBDRN CNc1nccc(C(=O)N2CCCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000580326806 363901128 /nfs/dbraw/zinc/90/11/28/363901128.db2.gz NTLRZAFKPVUKHA-JTQLQIEISA-N 0 0 292.339 1.716 20 5 CDBDRN C[C@@H](C(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000580428709 363906695 /nfs/dbraw/zinc/90/66/95/363906695.db2.gz FSYFIEMSUSAWAS-ZWNOBZJWSA-N 0 0 278.308 1.994 20 5 CDBDRN COc1cc(C(=O)N[C@@H]2CO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000580448456 363910403 /nfs/dbraw/zinc/91/04/03/363910403.db2.gz LASHIVYLSWRZCI-SCZZXKLOSA-N 0 0 280.280 1.511 20 5 CDBDRN C[C@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000408086141 291299850 /nfs/dbraw/zinc/29/98/50/291299850.db2.gz GNRODBUIRNAUAC-IUCAKERBSA-N 0 0 283.353 1.821 20 5 CDBDRN CC1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000299476056 364020714 /nfs/dbraw/zinc/02/07/14/364020714.db2.gz DEFOFWVGJBARPO-UHFFFAOYSA-N 0 0 279.296 1.205 20 5 CDBDRN CC[C@H](O)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268701934 364081438 /nfs/dbraw/zinc/08/14/38/364081438.db2.gz SKFWUSOUGRFFRG-QMMMGPOBSA-N 0 0 285.275 1.207 20 5 CDBDRN CNc1nccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000582369164 364082662 /nfs/dbraw/zinc/08/26/62/364082662.db2.gz CXDQEFQSACVIFT-IUCAKERBSA-N 0 0 278.312 1.324 20 5 CDBDRN CCO[C@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000581982428 364056057 /nfs/dbraw/zinc/05/60/57/364056057.db2.gz SGHJEFKHRYQAJQ-QWRGUYRKSA-N 0 0 265.269 1.205 20 5 CDBDRN Cc1cc(F)c(NC(=O)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000295886225 370734590 /nfs/dbraw/zinc/73/45/90/370734590.db2.gz BQHQKSDZQBVZMP-UHFFFAOYSA-N 0 0 283.259 1.505 20 5 CDBDRN CN(CCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000301146757 364158472 /nfs/dbraw/zinc/15/84/72/364158472.db2.gz GWIUUEMBSNDQOJ-UHFFFAOYSA-N 0 0 258.299 1.076 20 5 CDBDRN Cc1cc(C(=O)N(C[C@H](C)O)[C@@H](C)CO)cc([N+](=O)[O-])c1 ZINC000189340593 189530865 /nfs/dbraw/zinc/53/08/65/189530865.db2.gz FKKDZFKPBCNEPH-QWRGUYRKSA-N 0 0 296.323 1.107 20 5 CDBDRN Cc1c(C(=O)N[C@@H](C)c2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000174535136 364216810 /nfs/dbraw/zinc/21/68/10/364216810.db2.gz HDUNFJHGDMYJEO-QMMMGPOBSA-N 0 0 275.268 1.512 20 5 CDBDRN COc1cc(C(=O)N(C)C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000295906951 370755632 /nfs/dbraw/zinc/75/56/32/370755632.db2.gz DLFQCXZDSFAJAO-ZETCQYMHSA-N 0 0 286.259 1.195 20 5 CDBDRN Cc1nn([C@@H]2CCCN(C)C2=O)c(C)c1[N+](=O)[O-] ZINC000540906916 364239473 /nfs/dbraw/zinc/23/94/73/364239473.db2.gz CGQLTSDCTOBQLO-SECBINFHSA-N 0 0 252.274 1.201 20 5 CDBDRN CC[C@@](C)(O)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147617 364253247 /nfs/dbraw/zinc/25/32/47/364253247.db2.gz BVDLHGKNGYHHJW-CYBMUJFWSA-N 0 0 266.297 1.794 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)CO)c1 ZINC000088147614 364261004 /nfs/dbraw/zinc/26/10/04/364261004.db2.gz MBKPGDYIBKPJSV-VIFPVBQESA-N 0 0 252.270 1.261 20 5 CDBDRN C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000456431339 364369816 /nfs/dbraw/zinc/36/98/16/364369816.db2.gz AXVDFZKEJQMBAO-MRVPVSSYSA-N 0 0 294.336 1.751 20 5 CDBDRN COC(=O)[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000191018325 189580556 /nfs/dbraw/zinc/58/05/56/189580556.db2.gz DIGVRNOKFOZFQB-FOSUXSCJSA-N 0 0 294.307 1.120 20 5 CDBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1COC[C@H]1O ZINC000455456848 252394158 /nfs/dbraw/zinc/39/41/58/252394158.db2.gz BCSWHGJGBCTWDN-VXGBXAGGSA-N 0 0 295.295 1.038 20 5 CDBDRN COCCCCc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000545679500 364594625 /nfs/dbraw/zinc/59/46/25/364594625.db2.gz MSHSDAMNPPNJIQ-UHFFFAOYSA-N 0 0 280.284 1.952 20 5 CDBDRN CO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000456611864 364657626 /nfs/dbraw/zinc/65/76/26/364657626.db2.gz FONIQHQVWXCJKI-MNOVXSKESA-N 0 0 293.323 1.953 20 5 CDBDRN Cc1nc(N2CCC(CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000268486235 364789207 /nfs/dbraw/zinc/78/92/07/364789207.db2.gz MQTFXFNUWPSNEA-UHFFFAOYSA-N 0 0 278.312 1.390 20 5 CDBDRN O=C(NC[C@H](O)C1CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456847205 364789532 /nfs/dbraw/zinc/78/95/32/364789532.db2.gz AOINHHSWXNSFCN-LBPRGKRZSA-N 0 0 280.280 1.191 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@](C)(O)CSC ZINC000192614309 189625486 /nfs/dbraw/zinc/62/54/86/189625486.db2.gz GOWOZEUKTHGPSF-NSHDSACASA-N 0 0 288.373 1.646 20 5 CDBDRN Cc1c(C(=O)N(C[C@@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000193174857 189636855 /nfs/dbraw/zinc/63/68/55/189636855.db2.gz DBPWVLIJGUVLII-VHSXEESVSA-N 0 0 296.323 1.107 20 5 CDBDRN C[C@@H](CCCO)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000295940205 370784013 /nfs/dbraw/zinc/78/40/13/370784013.db2.gz HMIVPZSWLRVDQP-VIFPVBQESA-N 0 0 284.287 1.872 20 5 CDBDRN O=C(N[C@H]1CCOC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412202605 240080529 /nfs/dbraw/zinc/08/05/29/240080529.db2.gz FCLWHTXPAOHETA-WCFLWFBJSA-N 0 0 276.292 1.603 20 5 CDBDRN O=[N+]([O-])c1ccc(NCCO)c(NCC2CC2)c1 ZINC000268587786 364918258 /nfs/dbraw/zinc/91/82/58/364918258.db2.gz FBOPIIGBIQCNMO-UHFFFAOYSA-N 0 0 251.286 1.821 20 5 CDBDRN Nc1c(C(=O)NC[C@@H]2CCCCO2)cc(F)cc1[N+](=O)[O-] ZINC000149311317 364944978 /nfs/dbraw/zinc/94/49/78/364944978.db2.gz VMSLOELLDWZUMP-VIFPVBQESA-N 0 0 297.286 1.615 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCCCC1 ZINC000230676760 364965776 /nfs/dbraw/zinc/96/57/76/364965776.db2.gz GQOMEFUYAAXRKT-UHFFFAOYSA-N 0 0 278.312 1.882 20 5 CDBDRN CCn1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000412479342 240234432 /nfs/dbraw/zinc/23/44/32/240234432.db2.gz BLTQIGHQECRYOB-UHFFFAOYSA-N 0 0 277.284 1.080 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@H]2CS[C@H](C)C2)c1[N+](=O)[O-] ZINC000412614789 240297826 /nfs/dbraw/zinc/29/78/26/240297826.db2.gz XGIZJMCEWABUJD-HTQZYQBOSA-N 0 0 298.368 1.894 20 5 CDBDRN C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)O1 ZINC000412645782 240307039 /nfs/dbraw/zinc/30/70/39/240307039.db2.gz FSBRJLPFVPHPHJ-HLTSFMKQSA-N 0 0 294.311 1.115 20 5 CDBDRN CC[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037981363 364991629 /nfs/dbraw/zinc/99/16/29/364991629.db2.gz PXEJMOYTVJRJQM-MRVPVSSYSA-N 0 0 272.688 1.749 20 5 CDBDRN Cc1noc(C)c1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180548320 365012599 /nfs/dbraw/zinc/01/25/99/365012599.db2.gz DNUYBBSLWPZJFJ-UHFFFAOYSA-N 0 0 291.267 1.107 20 5 CDBDRN CCOc1cc(CSCC(N)=O)ccc1[N+](=O)[O-] ZINC000413013752 240477592 /nfs/dbraw/zinc/47/75/92/240477592.db2.gz BPRRSEDRSDIMHF-UHFFFAOYSA-N 0 0 270.310 1.712 20 5 CDBDRN COCCOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000219603456 189720440 /nfs/dbraw/zinc/72/04/40/189720440.db2.gz AEHSRHFGUCGWEQ-UHFFFAOYSA-N 0 0 288.687 1.850 20 5 CDBDRN Cc1cccc(NCC2(CO)COC2)c1[N+](=O)[O-] ZINC000275391185 193019907 /nfs/dbraw/zinc/01/99/07/193019907.db2.gz CSJHTSBZCIWXQA-UHFFFAOYSA-N 0 0 252.270 1.324 20 5 CDBDRN Cc1cc(C(=O)N2CC(C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000275440041 193038397 /nfs/dbraw/zinc/03/83/97/193038397.db2.gz BSNOLCUIMUQVHY-UHFFFAOYSA-N 0 0 278.308 1.746 20 5 CDBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000275514229 193063737 /nfs/dbraw/zinc/06/37/37/193063737.db2.gz PHUCPLBXPUZEHE-MRVPVSSYSA-N 0 0 275.268 1.214 20 5 CDBDRN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275627699 193090538 /nfs/dbraw/zinc/09/05/38/193090538.db2.gz UZLNFWLUGKESDA-SNVBAGLBSA-N 0 0 291.311 1.453 20 5 CDBDRN COc1cc(N(C)CCNC(C)=O)c(F)cc1[N+](=O)[O-] ZINC000564325370 365414901 /nfs/dbraw/zinc/41/49/01/365414901.db2.gz RAVADSPAYCPZNM-UHFFFAOYSA-N 0 0 285.275 1.315 20 5 CDBDRN C[C@]1(NC(=O)NCCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000270485101 366889028 /nfs/dbraw/zinc/88/90/28/366889028.db2.gz UEEVFJZCHJZKAZ-AWEZNQCLSA-N 0 0 293.323 1.616 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC(O)(C(F)(F)F)CC1 ZINC000270503999 366891856 /nfs/dbraw/zinc/89/18/56/366891856.db2.gz UZWBVYMJXSFILV-UHFFFAOYSA-N 0 0 294.233 1.222 20 5 CDBDRN CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270510432 366891932 /nfs/dbraw/zinc/89/19/32/366891932.db2.gz WOHVNIQWFKRFCO-CABZTGNLSA-N 0 0 279.296 1.829 20 5 CDBDRN COCC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000413871971 240953708 /nfs/dbraw/zinc/95/37/08/240953708.db2.gz DRPLBRDQEPBZIJ-QMMMGPOBSA-N 0 0 255.274 1.325 20 5 CDBDRN CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270567213 366901873 /nfs/dbraw/zinc/90/18/73/366901873.db2.gz NOKMZEULTQXIQQ-WCQYABFASA-N 0 0 278.308 1.367 20 5 CDBDRN C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@H]1C ZINC000548408390 366903414 /nfs/dbraw/zinc/90/34/14/366903414.db2.gz NJAIEXGGTGLDRA-WCABBAIRSA-N 0 0 292.339 1.957 20 5 CDBDRN CCC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000270966672 366947346 /nfs/dbraw/zinc/94/73/46/366947346.db2.gz SGXGOJUTZRSWDB-UHFFFAOYSA-N 0 0 266.253 1.069 20 5 CDBDRN O=C(Nc1ccc(CCO)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548419688 366906648 /nfs/dbraw/zinc/90/66/48/366906648.db2.gz GVFCIPJGIQPJRP-UHFFFAOYSA-N 0 0 276.252 1.105 20 5 CDBDRN CC(C)[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000277241784 366917903 /nfs/dbraw/zinc/91/79/03/366917903.db2.gz HILAUUNQPBUBJB-SNVBAGLBSA-N 0 0 281.243 1.815 20 5 CDBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](NC(N)=O)C1 ZINC000270741563 366927941 /nfs/dbraw/zinc/92/79/41/366927941.db2.gz NFUAWFXUXLGDCM-UWVGGRQHSA-N 0 0 278.312 1.398 20 5 CDBDRN C[C@@](O)(CC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270797784 366932175 /nfs/dbraw/zinc/93/21/75/366932175.db2.gz VPZVYOALGZOLAU-OAHLLOKOSA-N 0 0 292.335 1.805 20 5 CDBDRN CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H](O)C(F)(F)F ZINC000270824170 366935007 /nfs/dbraw/zinc/93/50/07/366935007.db2.gz SEAAMPYVERKVKS-UJURSFKZSA-N 0 0 295.221 1.081 20 5 CDBDRN Cc1cc(OC[C@@H](O)Cn2cccn2)ccc1[N+](=O)[O-] ZINC000414134325 241083307 /nfs/dbraw/zinc/08/33/07/241083307.db2.gz HGFXDOUHQDKGBT-NSHDSACASA-N 0 0 277.280 1.540 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2nccn2C)n1 ZINC000271010421 366954800 /nfs/dbraw/zinc/95/48/00/366954800.db2.gz ZSESZFVUWKKYJV-UHFFFAOYSA-N 0 0 261.285 1.668 20 5 CDBDRN CC(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000271102419 366968092 /nfs/dbraw/zinc/96/80/92/366968092.db2.gz NVCKVXCUMJLNQG-UHFFFAOYSA-N 0 0 265.313 1.803 20 5 CDBDRN CCNC(=O)CN(CC)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000271096009 366968278 /nfs/dbraw/zinc/96/82/78/366968278.db2.gz MULUPOSVQMESJY-UHFFFAOYSA-N 0 0 299.302 1.705 20 5 CDBDRN CNCc1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000414648517 241300211 /nfs/dbraw/zinc/30/02/11/241300211.db2.gz VIHYPBQJMJFAHY-UHFFFAOYSA-N 0 0 292.251 1.151 20 5 CDBDRN C/C=C/C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456065287 252410880 /nfs/dbraw/zinc/41/08/80/252410880.db2.gz LKGSEMZAHGJFSU-CDAZIORVSA-N 0 0 294.311 1.088 20 5 CDBDRN C[C@H]1CO[C@H](CO)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000153138448 367042451 /nfs/dbraw/zinc/04/24/51/367042451.db2.gz AZFDNLHHNAGOGE-FZMZJTMJSA-N 0 0 296.323 1.055 20 5 CDBDRN COCCSCCn1cc([N+](=O)[O-])ccc1=O ZINC000090200123 367025464 /nfs/dbraw/zinc/02/54/64/367025464.db2.gz AQLDRZLQWKQPLR-UHFFFAOYSA-N 0 0 258.299 1.136 20 5 CDBDRN CNc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000017168782 367032154 /nfs/dbraw/zinc/03/21/54/367032154.db2.gz RMISZAGERBLIGI-UHFFFAOYSA-N 0 0 286.291 1.962 20 5 CDBDRN Cc1c(CC(=O)N[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000179051405 367168085 /nfs/dbraw/zinc/16/80/85/367168085.db2.gz NVTVMCNBASGOBK-NSHDSACASA-N 0 0 264.281 1.351 20 5 CDBDRN Cc1c(C(=O)NC[C@@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000228696480 367283408 /nfs/dbraw/zinc/28/34/08/367283408.db2.gz ZFCDUSPGXBUBEB-HZMBPMFUSA-N 0 0 294.307 1.173 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000161149301 367292401 /nfs/dbraw/zinc/29/24/01/367292401.db2.gz XTGDVBBZUVHPQS-UHFFFAOYSA-N 0 0 286.251 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1.458 20 5 CDBDRN COC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298682842 373764913 /nfs/dbraw/zinc/76/49/13/373764913.db2.gz BMTGNBVMBHGOJV-QMMMGPOBSA-N 0 0 297.267 1.610 20 5 CDBDRN CCC1(O)CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000266217337 373977785 /nfs/dbraw/zinc/97/77/85/373977785.db2.gz YWUXTMXMMFIGAX-UHFFFAOYSA-N 0 0 282.300 1.003 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC12CC2 ZINC000416063601 374041620 /nfs/dbraw/zinc/04/16/20/374041620.db2.gz FTNDOKGBVNUOMG-SECBINFHSA-N 0 0 261.281 1.828 20 5 CDBDRN COCCOc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000113443548 374257965 /nfs/dbraw/zinc/25/79/65/374257965.db2.gz BUDOLVSXDYVAJJ-UHFFFAOYSA-N 0 0 255.226 1.407 20 5 CDBDRN CCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000130948245 374266781 /nfs/dbraw/zinc/26/67/81/374266781.db2.gz ODTYZBYIXFWWJB-JTQLQIEISA-N 0 0 295.295 1.337 20 5 CDBDRN COc1ncccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000065733995 374282629 /nfs/dbraw/zinc/28/26/29/374282629.db2.gz OBWFUNGJYLAOIQ-UHFFFAOYSA-N 0 0 291.267 1.142 20 5 CDBDRN CCC[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)OCC ZINC000130987985 374345751 /nfs/dbraw/zinc/34/57/51/374345751.db2.gz RKFIPFJZPGSXQO-LLVKDONJSA-N 0 0 284.316 1.113 20 5 CDBDRN CCN(CC)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000299042907 374324070 /nfs/dbraw/zinc/32/40/70/374324070.db2.gz DGFCMEFCBFSSLL-UHFFFAOYSA-N 0 0 251.286 1.801 20 5 CDBDRN COC(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421783020 374331958 /nfs/dbraw/zinc/33/19/58/374331958.db2.gz DOCXSKHWAIHHRS-SECBINFHSA-N 0 0 280.280 1.503 20 5 CDBDRN Cc1ccc(N2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000368881851 374337041 /nfs/dbraw/zinc/33/70/41/374337041.db2.gz INOJDGVSCJPDAL-NSHDSACASA-N 0 0 273.296 1.946 20 5 CDBDRN COC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000078707230 374345577 /nfs/dbraw/zinc/34/55/77/374345577.db2.gz ZLTUSMDKXSBKTE-MRVPVSSYSA-N 0 0 298.320 1.824 20 5 CDBDRN C[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000114675463 374338777 /nfs/dbraw/zinc/33/87/77/374338777.db2.gz ROOZDRWNIXCQTP-UHFFFAOYSA-N 0 0 292.339 1.171 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)C1(C)C ZINC000066528860 374343946 /nfs/dbraw/zinc/34/39/46/374343946.db2.gz QAYJLARPLISSJG-UHFFFAOYSA-N 0 0 293.323 1.314 20 5 CDBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]12CCOC2 ZINC000422074681 374346551 /nfs/dbraw/zinc/34/65/51/374346551.db2.gz QYPTUWUTALBNBG-CYBMUJFWSA-N 0 0 280.255 1.739 20 5 CDBDRN C[C@@H](CCCCO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000296154025 374379335 /nfs/dbraw/zinc/37/93/35/374379335.db2.gz MXUZONSYGNLRAC-QMMMGPOBSA-N 0 0 255.274 1.204 20 5 CDBDRN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])[N@H+](C)C1CC1 ZINC000131840760 374381747 /nfs/dbraw/zinc/38/17/47/374381747.db2.gz LMCLIUBNLHQFST-VIFPVBQESA-N 0 0 293.323 1.513 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cncn2)C1 ZINC000370975449 374405925 /nfs/dbraw/zinc/40/59/25/374405925.db2.gz YQUYRACUCLGLNO-UHFFFAOYSA-N 0 0 287.279 1.192 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000079482961 374408804 /nfs/dbraw/zinc/40/88/04/374408804.db2.gz YEFMEYFONOJJSV-VIFPVBQESA-N 0 0 294.311 1.501 20 5 CDBDRN Cc1cccc(N2CC[C@@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC000372590841 374443192 /nfs/dbraw/zinc/44/31/92/374443192.db2.gz GQBNWYQMNSEURF-LLVKDONJSA-N 0 0 273.296 1.946 20 5 CDBDRN Cn1c(C(=O)N2CCOc3ccncc32)ccc1[N+](=O)[O-] ZINC000427157512 374482927 /nfs/dbraw/zinc/48/29/27/374482927.db2.gz KJCJPYPUTCYKGV-UHFFFAOYSA-N 0 0 288.263 1.368 20 5 CDBDRN Cc1nn(C)c(C(=O)N2CCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000299170716 374475939 /nfs/dbraw/zinc/47/59/39/374475939.db2.gz UCRQFEJDJPTSOP-JTQLQIEISA-N 0 0 296.327 1.014 20 5 CDBDRN CC[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000081941010 374564875 /nfs/dbraw/zinc/56/48/75/374564875.db2.gz LRFAXGRBFCYTDD-ZCFIWIBFSA-N 0 0 290.117 1.935 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)O)c1 ZINC000081745194 374549194 /nfs/dbraw/zinc/54/91/94/374549194.db2.gz CECRHRRVIAWFBO-UHFFFAOYSA-N 0 0 266.297 1.746 20 5 CDBDRN Cc1ccc(C(=O)N2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000377162641 374589377 /nfs/dbraw/zinc/58/93/77/374589377.db2.gz MTRRQJFBBLGWEW-JTQLQIEISA-N 0 0 291.307 1.241 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C2CC2)C1 ZINC000377466492 374603645 /nfs/dbraw/zinc/60/36/45/374603645.db2.gz ZTCNKSFGQHUPOM-CQSZACIVSA-N 0 0 291.307 1.974 20 5 CDBDRN Cc1c(CS(=O)(=O)[C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000424199709 246383949 /nfs/dbraw/zinc/38/39/49/246383949.db2.gz CYJKEIQGKHLNIW-ZWNOBZJWSA-N 0 0 299.348 1.995 20 5 CDBDRN Cc1c(CS(=O)(=O)c2ncnn2C)cccc1[N+](=O)[O-] ZINC000424209614 246386872 /nfs/dbraw/zinc/38/68/72/246386872.db2.gz SKDDZGAGTBOATN-UHFFFAOYSA-N 0 0 296.308 1.006 20 5 CDBDRN Cc1cccc(N2CCC[C@@H](OCCO)C2)c1[N+](=O)[O-] ZINC000275458877 374697928 /nfs/dbraw/zinc/69/79/28/374697928.db2.gz MKAKNSAGFJWVEW-GFCCVEGCSA-N 0 0 280.324 1.881 20 5 CDBDRN CCOC(=O)N1CC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000274441015 374674275 /nfs/dbraw/zinc/67/42/75/374674275.db2.gz GRHCPXUEMXBDDC-JTQLQIEISA-N 0 0 294.311 1.941 20 5 CDBDRN CC(C)(O)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000274792561 374684237 /nfs/dbraw/zinc/68/42/37/374684237.db2.gz SEJBKGZYOFTHOS-UHFFFAOYSA-N 0 0 270.314 1.877 20 5 CDBDRN CC(C)CONC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275082065 374689558 /nfs/dbraw/zinc/68/95/58/374689558.db2.gz FAZQSFORBLRBNH-UHFFFAOYSA-N 0 0 255.230 1.013 20 5 CDBDRN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000275233256 374692712 /nfs/dbraw/zinc/69/27/12/374692712.db2.gz FEOAITVIQVCERB-BXKDBHETSA-N 0 0 296.327 1.119 20 5 CDBDRN O=C(NCc1csc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000124164571 374745166 /nfs/dbraw/zinc/74/51/66/374745166.db2.gz HZKOQHBANCZEKT-UHFFFAOYSA-N 0 0 279.277 1.275 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1Nc1cccc(N2CCC2=O)c1 ZINC000447809733 374713296 /nfs/dbraw/zinc/71/32/96/374713296.db2.gz CGOJUWCUJPNFLR-UHFFFAOYSA-N 0 0 287.279 1.809 20 5 CDBDRN CSCC[C@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000154564120 374714325 /nfs/dbraw/zinc/71/43/25/374714325.db2.gz NDVVXCMTCRJDEL-MRVPVSSYSA-N 0 0 257.315 1.516 20 5 CDBDRN CCCN1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1=O ZINC000276272657 374723661 /nfs/dbraw/zinc/72/36/61/374723661.db2.gz VEMHLTCDZCUWAN-UHFFFAOYSA-N 0 0 295.343 1.085 20 5 CDBDRN COc1cc(C[NH2+][C@H](CO)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000447925227 374724215 /nfs/dbraw/zinc/72/42/15/374724215.db2.gz YGNKWIXOBFYOIK-YPMHNXCESA-N 0 0 296.323 1.233 20 5 CDBDRN Cc1cccc(OCC(=O)NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000124028238 374728492 /nfs/dbraw/zinc/72/84/92/374728492.db2.gz HCJVONDAPGKZAI-NSHDSACASA-N 0 0 294.307 1.577 20 5 CDBDRN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@]1(O)CCOC1 ZINC000276616989 374737834 /nfs/dbraw/zinc/73/78/34/374737834.db2.gz MKLSPNSMOAADDS-AWEZNQCLSA-N 0 0 289.291 1.706 20 5 CDBDRN CN(C)C(=O)CN(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276646968 374739316 /nfs/dbraw/zinc/73/93/16/374739316.db2.gz QFNMQDCXMKLVND-UHFFFAOYSA-N 0 0 288.307 1.667 20 5 CDBDRN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1CO ZINC000278013395 374827641 /nfs/dbraw/zinc/82/76/41/374827641.db2.gz OKUXKMHBGNPXOR-ZJUUUORDSA-N 0 0 277.324 1.627 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCOC1 ZINC000277057826 374768586 /nfs/dbraw/zinc/76/85/86/374768586.db2.gz JQGJGIRCHKJEAQ-JTQLQIEISA-N 0 0 294.307 1.760 20 5 CDBDRN CCOc1cccc(NC[C@@]2(O)CCOC2)c1[N+](=O)[O-] ZINC000231038194 374774123 /nfs/dbraw/zinc/77/41/23/374774123.db2.gz YSCGKGZRLADAGA-ZDUSSCGKSA-N 0 0 282.296 1.557 20 5 CDBDRN CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000277170801 374775625 /nfs/dbraw/zinc/77/56/25/374775625.db2.gz HTTGJIYTCSYFQT-BETUJISGSA-N 0 0 266.297 1.753 20 5 CDBDRN COc1cc(C(=O)N2C[C@@H](O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330974179 374876442 /nfs/dbraw/zinc/87/64/42/374876442.db2.gz CHGHSNMWKXDCKN-SCZZXKLOSA-N 0 0 280.280 1.199 20 5 CDBDRN CC(C)CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330454919 374855745 /nfs/dbraw/zinc/85/57/45/374855745.db2.gz WMFBSWPUZIKQTL-UHFFFAOYSA-N 0 0 268.317 1.641 20 5 CDBDRN COC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330524273 374859576 /nfs/dbraw/zinc/85/95/76/374859576.db2.gz KUDUZFAYBCSFIG-UHFFFAOYSA-N 0 0 267.285 1.184 20 5 CDBDRN CNC(=O)c1ccc(N2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279563833 374924910 /nfs/dbraw/zinc/92/49/10/374924910.db2.gz UHANJIZMJLNDNW-LBPRGKRZSA-N 0 0 293.323 1.162 20 5 CDBDRN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1[C@@H]1CCOC1 ZINC000331539148 374969656 /nfs/dbraw/zinc/96/96/56/374969656.db2.gz HSEXQSSDWTTYDY-SNVBAGLBSA-N 0 0 277.236 1.373 20 5 CDBDRN Cc1ccc(C(=O)N2CCO[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000331335284 374934940 /nfs/dbraw/zinc/93/49/40/374934940.db2.gz IRQUMLPVCAJAGJ-LLVKDONJSA-N 0 0 282.271 1.714 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN(CC(F)F)C1CC1 ZINC000331421402 374950300 /nfs/dbraw/zinc/95/03/00/374950300.db2.gz BDHHZYXSDGQOMB-UHFFFAOYSA-N 0 0 260.244 1.558 20 5 CDBDRN CC(C)CC[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331175658 374904863 /nfs/dbraw/zinc/90/48/63/374904863.db2.gz GOPPOCCMVROAEO-NSHDSACASA-N 0 0 295.343 1.614 20 5 CDBDRN Cc1n[nH]c(C(=O)N(CC(F)F)C(C)C)c1[N+](=O)[O-] ZINC000331212300 374907342 /nfs/dbraw/zinc/90/73/42/374907342.db2.gz SBRVEDQOCYCRCR-UHFFFAOYSA-N 0 0 276.243 1.742 20 5 CDBDRN CS(=O)(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000279906764 374974508 /nfs/dbraw/zinc/97/45/08/374974508.db2.gz WJDYQWFDHMMSAC-UHFFFAOYSA-N 0 0 298.364 1.652 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCCCO2)n1 ZINC000331588144 374976572 /nfs/dbraw/zinc/97/65/72/374976572.db2.gz OFKGHEAMQCKDSB-ZETCQYMHSA-N 0 0 279.256 1.620 20 5 CDBDRN CC[C@@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])C(C)C ZINC000299549296 374977888 /nfs/dbraw/zinc/97/78/88/374977888.db2.gz QPSSTFVPNPIFRY-MRVPVSSYSA-N 0 0 254.290 1.791 20 5 CDBDRN C[C@H]1OCC[C@@]12CN(Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000280344455 374992892 /nfs/dbraw/zinc/99/28/92/374992892.db2.gz HWSDMPBYKMYDAH-IUODEOHRSA-N 0 0 292.335 1.975 20 5 CDBDRN 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GSHYWDKEKMXVMX-ZETCQYMHSA-N 0 0 295.324 1.337 20 5 CDBDRN CC(C)CSCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000517756761 260188516 /nfs/dbraw/zinc/18/85/16/260188516.db2.gz JRQPSSALHUFVKH-UHFFFAOYSA-N 0 0 298.368 1.521 20 5 CDBDRN COc1cc(OCC(=O)N(C)OC)ccc1[N+](=O)[O-] ZINC000049289788 424384195 /nfs/dbraw/zinc/38/41/95/424384195.db2.gz VZZIZGQOOPFJGF-UHFFFAOYSA-N 0 0 270.241 1.002 20 5 CDBDRN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000392070508 266005356 /nfs/dbraw/zinc/00/53/56/266005356.db2.gz SNAWWUWDMBQMGK-ZETCQYMHSA-N 0 0 293.258 1.353 20 5 CDBDRN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[nH]n1 ZINC000088231243 270230993 /nfs/dbraw/zinc/23/09/93/270230993.db2.gz HEASWNZSVLUELB-UHFFFAOYSA-N 0 0 286.291 1.825 20 5 CDBDRN CC[C@@H](CCO)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000159370492 270241495 /nfs/dbraw/zinc/24/14/95/270241495.db2.gz WMTUETPYMLXPQS-ZETCQYMHSA-N 0 0 258.299 1.547 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccn(C)n1 ZINC000180835867 270248097 /nfs/dbraw/zinc/24/80/97/270248097.db2.gz YPXVWRFPLSHQJL-UHFFFAOYSA-N 0 0 274.280 1.818 20 5 CDBDRN C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000186602064 270264412 /nfs/dbraw/zinc/26/44/12/270264412.db2.gz CWDJZRGCNGYISN-ICCXJUOJSA-N 0 0 275.308 1.824 20 5 CDBDRN C[C@@H](CCS(C)(=O)=O)Nc1ncc([N+](=O)[O-])s1 ZINC000190336853 270283081 /nfs/dbraw/zinc/28/30/81/270283081.db2.gz XBBXOWBRTUUYKS-LURJTMIESA-N 0 0 279.343 1.286 20 5 CDBDRN CC(C)(C(=O)N1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268925787 270313714 /nfs/dbraw/zinc/31/37/14/270313714.db2.gz PVGPPXVLTXRKKE-UHFFFAOYSA-N 0 0 264.281 1.076 20 5 CDBDRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CCO ZINC000313820382 270325282 /nfs/dbraw/zinc/32/52/82/270325282.db2.gz UOIQXCSJMQVZJI-YBJDMEARSA-N 0 0 290.319 1.981 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C1CCC1 ZINC000315636256 270327491 /nfs/dbraw/zinc/32/74/91/270327491.db2.gz YZQFSGZZSQISJA-ZDUSSCGKSA-N 0 0 294.307 1.251 20 5 CDBDRN O=C(NC[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000315773582 270328108 /nfs/dbraw/zinc/32/81/08/270328108.db2.gz FWDFHRFEIBDTIN-GFCCVEGCSA-N 0 0 282.271 1.625 20 5 CDBDRN Cc1cc(C(=O)N2C[C@@H](C)C[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000398640175 270357235 /nfs/dbraw/zinc/35/72/35/270357235.db2.gz WKIWVXRGHBVJSS-RYUDHWBXSA-N 0 0 292.335 1.994 20 5 CDBDRN CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)[NH3+] ZINC000399753184 270375279 /nfs/dbraw/zinc/37/52/79/270375279.db2.gz VJBIUDBOFHFPSO-PRHODGIISA-N 0 0 281.312 1.858 20 5 CDBDRN CN(Cc1cc[nH]n1)C(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000399965831 270375913 /nfs/dbraw/zinc/37/59/13/270375913.db2.gz OUHAQGWKUNDGKZ-QPJJXVBHSA-N 0 0 286.291 1.990 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1NCC1(CC(N)=O)CC1 ZINC000420609144 270379552 /nfs/dbraw/zinc/37/95/52/270379552.db2.gz IQEDPIABLWTZDX-UHFFFAOYSA-N 0 0 293.323 1.809 20 5 CDBDRN CC(C)OCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420609029 270379816 /nfs/dbraw/zinc/37/98/16/270379816.db2.gz GAAKBGZNNRIENN-UHFFFAOYSA-N 0 0 267.285 1.531 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](CCO)C1)CCN2 ZINC000515970612 270455503 /nfs/dbraw/zinc/45/55/03/270455503.db2.gz GFFLEBKAYYKBBY-JTQLQIEISA-N 0 0 277.324 1.772 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CCNC1=O ZINC000521069197 270545179 /nfs/dbraw/zinc/54/51/79/270545179.db2.gz BXTHCMJRTLLQBC-JTQLQIEISA-N 0 0 264.281 1.808 20 5 CDBDRN Cc1ncc2c(n1)CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)C2 ZINC000522231921 270578138 /nfs/dbraw/zinc/57/81/38/270578138.db2.gz WCBWWQSOJHSVGL-SNVBAGLBSA-N 0 0 288.311 1.396 20 5 CDBDRN CC[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522366992 270579262 /nfs/dbraw/zinc/57/92/62/270579262.db2.gz CFEULOYHODWFFK-SECBINFHSA-N 0 0 267.285 1.184 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCN(C3CCC3)CC2)c(F)c1 ZINC000408470891 275040882 /nfs/dbraw/zinc/04/08/82/275040882.db2.gz ROZQEQYZRHUMRE-UHFFFAOYSA-N 0 0 280.303 1.803 20 5 CDBDRN CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCO1 ZINC000408220023 275713819 /nfs/dbraw/zinc/71/38/19/275713819.db2.gz SDVBNMDTUYRJAB-SNVBAGLBSA-N 0 0 252.274 1.246 20 5 CDBDRN CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412236925 275983430 /nfs/dbraw/zinc/98/34/30/275983430.db2.gz AJVYIEPOMUJJHK-BFHYXJOUSA-N 0 0 292.335 1.831 20 5 CDBDRN CC(C)c1[nH]nc(C(=O)Nc2cncnc2)c1[N+](=O)[O-] ZINC000274387130 276041995 /nfs/dbraw/zinc/04/19/95/276041995.db2.gz HRYXXQXPUUQGCK-UHFFFAOYSA-N 0 0 276.256 1.484 20 5 CDBDRN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000048445997 276558162 /nfs/dbraw/zinc/55/81/62/276558162.db2.gz XWAODCNMOIMUEC-WDEREUQCSA-N 0 0 279.340 1.988 20 5 CDBDRN COC(=O)c1cnc(N2CC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000450579866 277167851 /nfs/dbraw/zinc/16/78/51/277167851.db2.gz KYUQEIFSFIORLA-UHFFFAOYSA-N 0 0 263.253 1.377 20 5 CDBDRN CNc1nc(C(=O)N[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000455799146 277304445 /nfs/dbraw/zinc/30/44/45/277304445.db2.gz SHRKGAGPOJWROV-ZETCQYMHSA-N 0 0 282.325 1.267 20 5 CDBDRN COC(=O)[C@H]1CC12CCN(c1ncc([N+](=O)[O-])cn1)CC2 ZINC000273556798 277387692 /nfs/dbraw/zinc/38/76/92/277387692.db2.gz BAFJKKUKYMISOD-SNVBAGLBSA-N 0 0 292.295 1.164 20 5 CDBDRN CC(C)[C@@H](CO)[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC000452961173 277747472 /nfs/dbraw/zinc/74/74/72/277747472.db2.gz LZCKURRNESKUEM-SKDRFNHKSA-N 0 0 298.343 1.337 20 5 CDBDRN CO[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1OC ZINC000487095571 277750981 /nfs/dbraw/zinc/75/09/81/277750981.db2.gz GEPDCXGTSCOELJ-UWVGGRQHSA-N 0 0 287.703 1.493 20 5 CDBDRN COc1cc(C(=O)N2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000153922417 277798657 /nfs/dbraw/zinc/79/86/57/277798657.db2.gz PAMNBNWVEVDMDY-ZJUUUORDSA-N 0 0 294.307 1.853 20 5 CDBDRN CC(C)[C@@](C)(O)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332694348 277850938 /nfs/dbraw/zinc/85/09/38/277850938.db2.gz HYGSJSQBEGZGNZ-CQSZACIVSA-N 0 0 293.323 1.282 20 5 CDBDRN C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356513465 278335877 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Cc1nc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000294881238 279095259 /nfs/dbraw/zinc/09/52/59/279095259.db2.gz FXVNCTQAXBPMMR-GXTWGEPZSA-N 0 0 290.323 1.841 20 5 CDBDRN C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000055466678 279186093 /nfs/dbraw/zinc/18/60/93/279186093.db2.gz OMDPNMAZELVDAR-NXEZZACHSA-N 0 0 289.295 1.625 20 5 CDBDRN CN(Cc1ncc[nH]1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000070979453 279208788 /nfs/dbraw/zinc/20/87/88/279208788.db2.gz PQPMQQXKXYKKOH-VOTSOKGWSA-N 0 0 286.291 1.990 20 5 CDBDRN CCCOCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089312640 279260429 /nfs/dbraw/zinc/26/04/29/279260429.db2.gz NSWNEYHKHDWJOK-UHFFFAOYSA-N 0 0 266.297 1.680 20 5 CDBDRN Cc1nsc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369636743 279263221 /nfs/dbraw/zinc/26/32/21/279263221.db2.gz HTSWKWKYQNHGMX-UHFFFAOYSA-N 0 0 294.340 1.793 20 5 CDBDRN CN(C)C(=O)C(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000108422829 279306638 /nfs/dbraw/zinc/30/66/38/279306638.db2.gz ZXUNYKYBTLCHMT-UHFFFAOYSA-N 0 0 271.342 1.613 20 5 CDBDRN O=c1[nH]cnc2cc(NC[C@@H](O)C3CC3)c([N+](=O)[O-])cc12 ZINC000109384971 279311783 /nfs/dbraw/zinc/31/17/83/279311783.db2.gz CELNBOVOZSUARD-GFCCVEGCSA-N 0 0 290.279 1.014 20 5 CDBDRN Cc1ccn(CC(=O)N[C@H](C)C(C)C)c(=O)c1[N+](=O)[O-] ZINC000129906938 279620437 /nfs/dbraw/zinc/62/04/37/279620437.db2.gz OBBDJISFCSAEHK-SNVBAGLBSA-N 0 0 281.312 1.226 20 5 CDBDRN CCOC1(C)CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000291943036 279657057 /nfs/dbraw/zinc/65/70/57/279657057.db2.gz TVXTVLJGOBSBQG-UHFFFAOYSA-N 0 0 268.317 1.724 20 5 CDBDRN COc1ccccc1OCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000130949342 279658770 /nfs/dbraw/zinc/65/87/70/279658770.db2.gz MLZFHGMFOXZBKX-UHFFFAOYSA-N 0 0 290.275 1.844 20 5 CDBDRN Cc1ocnc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134423579 279777185 /nfs/dbraw/zinc/77/71/85/279777185.db2.gz ZIJQQUNKYTVOMS-UHFFFAOYSA-N 0 0 275.264 1.750 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]nc1C ZINC000194815447 280057413 /nfs/dbraw/zinc/05/74/13/280057413.db2.gz SPTOBTRBWZHQQM-UHFFFAOYSA-N 0 0 290.279 1.565 20 5 CDBDRN Cn1nccc1/C=C/C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000194954313 280064151 /nfs/dbraw/zinc/06/41/51/280064151.db2.gz NQGQOOROYBNGFP-AATRIKPKSA-N 0 0 286.291 1.658 20 5 CDBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)F ZINC000230233211 280115267 /nfs/dbraw/zinc/11/52/67/280115267.db2.gz YLDAWCIFXDTHRX-QLCVYAKKSA-N 0 0 286.234 1.350 20 5 CDBDRN O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000355327279 280122189 /nfs/dbraw/zinc/12/21/89/280122189.db2.gz VGPMUOKXZBIQSX-MRVWCRGKSA-N 0 0 288.303 1.909 20 5 CDBDRN O=C([C@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000270084485 280133362 /nfs/dbraw/zinc/13/33/62/280133362.db2.gz AUVBDLZAXOEDMM-GFCCVEGCSA-N 0 0 262.265 1.663 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](CF)C3)c21 ZINC000413475953 280373979 /nfs/dbraw/zinc/37/39/79/280373979.db2.gz ONUDNHDCPQFKRC-SECBINFHSA-N 0 0 292.270 1.713 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCOC3)c21 ZINC000347412963 280374435 /nfs/dbraw/zinc/37/44/35/280374435.db2.gz KMAWZAPWTRLSMX-QMMMGPOBSA-N 0 0 260.253 1.739 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@H]2CCO[C@@]3(CCOC3)C2)nc1 ZINC000373395663 280382464 /nfs/dbraw/zinc/38/24/64/280382464.db2.gz VVSMCBKFBWGPGB-CABZTGNLSA-N 0 0 280.284 1.135 20 5 CDBDRN Cc1cc(C(=O)NC[C@H](O)C2CCC2)ccc1[N+](=O)[O-] ZINC000315968268 280627563 /nfs/dbraw/zinc/62/75/63/280627563.db2.gz FBTPDDGWUQFZRV-ZDUSSCGKSA-N 0 0 278.308 1.794 20 5 CDBDRN Cc1ccc(CCNc2ncc([N+](=O)[O-])c(C)n2)o1 ZINC000515460085 280900350 /nfs/dbraw/zinc/90/03/50/280900350.db2.gz FLTSBDRPNMDPSX-UHFFFAOYSA-N 0 0 262.269 1.671 20 5 CDBDRN CCc1[nH]nc(C(=O)Nc2nc(C)c[nH]2)c1[N+](=O)[O-] ZINC000520705670 281048340 /nfs/dbraw/zinc/04/83/40/281048340.db2.gz DVGKPUBRMUBWLX-UHFFFAOYSA-N 0 0 264.245 1.164 20 5 CDBDRN O=C(Nc1cnn(-c2ccccn2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000523516626 281096807 /nfs/dbraw/zinc/09/68/07/281096807.db2.gz PCIKXCLUWROMRO-UHFFFAOYSA-N 0 0 298.262 1.756 20 5 CDBDRN O=C(NCC1(C(F)F)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000527073067 281119321 /nfs/dbraw/zinc/11/93/21/281119321.db2.gz JKGCVCCMWKCFDQ-UHFFFAOYSA-N 0 0 271.223 1.765 20 5 CDBDRN CCc1n[nH]c(C(=O)N2C[C@@H](C)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000171805446 281363035 /nfs/dbraw/zinc/36/30/35/281363035.db2.gz LJSKSSODJGLNGD-MRVPVSSYSA-N 0 0 296.327 1.520 20 5 CDBDRN C[C@@H]1COCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000374343693 288333469 /nfs/dbraw/zinc/33/34/69/288333469.db2.gz ZDJQKOBRHHNUHC-VIFPVBQESA-N 0 0 279.296 1.286 20 5 CDBDRN COC(C)(C)CN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000531826693 281847444 /nfs/dbraw/zinc/84/74/44/281847444.db2.gz NNNCEXZLEVUZJO-UHFFFAOYSA-N 0 0 255.274 1.420 20 5 CDBDRN COc1ccnc(N(C)C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000531901575 281866093 /nfs/dbraw/zinc/86/60/93/281866093.db2.gz SXUJXAPZVGURKP-UHFFFAOYSA-N 0 0 294.292 1.732 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000532738275 282031344 /nfs/dbraw/zinc/03/13/44/282031344.db2.gz BMOLCIUVLOMIGK-QWRGUYRKSA-N 0 0 293.323 1.432 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@H](C)O)C2)n1 ZINC000533008963 282072106 /nfs/dbraw/zinc/07/21/06/282072106.db2.gz RMTXSWRDKLJABA-WDEREUQCSA-N 0 0 265.313 1.895 20 5 CDBDRN C[C@@]12CCCN1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000192414770 289223728 /nfs/dbraw/zinc/22/37/28/289223728.db2.gz AAFPTXIRTUGAPJ-ZDUSSCGKSA-N 0 0 275.264 1.916 20 5 CDBDRN C[C@@]1(O)CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255119366 289356919 /nfs/dbraw/zinc/35/69/19/289356919.db2.gz CETAXAQMJDIWLT-IDTUSYRASA-N 0 0 290.319 1.981 20 5 CDBDRN COc1ccc(CC(=O)N[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000544027616 289625415 /nfs/dbraw/zinc/62/54/15/289625415.db2.gz FNXWOLGYHFDFRQ-ZJUUUORDSA-N 0 0 296.323 1.422 20 5 CDBDRN COCC(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000159756634 292768264 /nfs/dbraw/zinc/76/82/64/292768264.db2.gz PQXOCNVVWMQISZ-UHFFFAOYSA-N 0 0 295.339 1.796 20 5 CDBDRN C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@@H]1C ZINC000548408388 289880234 /nfs/dbraw/zinc/88/02/34/289880234.db2.gz NJAIEXGGTGLDRA-FXPVBKGRSA-N 0 0 292.339 1.957 20 5 CDBDRN O=C(NC1(c2cccc(F)c2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548419586 289882030 /nfs/dbraw/zinc/88/20/30/289882030.db2.gz LOZWXRYKFQCTAC-UHFFFAOYSA-N 0 0 290.254 1.876 20 5 CDBDRN Nc1nccc(C(=O)Nc2ccsc2)c1[N+](=O)[O-] ZINC000548713010 289919474 /nfs/dbraw/zinc/91/94/74/289919474.db2.gz JYZDFEXUPKAEQN-UHFFFAOYSA-N 0 0 264.266 1.716 20 5 CDBDRN C[C@H](Cc1cccs1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548748206 289924685 /nfs/dbraw/zinc/92/46/85/289924685.db2.gz LYTBTRUDLDBZKE-SSDOTTSWSA-N 0 0 280.309 1.740 20 5 CDBDRN COc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1O ZINC000549200353 289960537 /nfs/dbraw/zinc/96/05/37/289960537.db2.gz RCRNPCAIALJSNY-UHFFFAOYSA-N 0 0 278.224 1.284 20 5 CDBDRN Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c[nH]c1=O ZINC000554589426 290179582 /nfs/dbraw/zinc/17/95/82/290179582.db2.gz OJDVVJGVUVMNDA-UHFFFAOYSA-N 0 0 288.263 1.838 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2ccccc21 ZINC000160664507 292792354 /nfs/dbraw/zinc/79/23/54/292792354.db2.gz IUJLNKGOHARMEE-NSHDSACASA-N 0 0 286.291 1.746 20 5 CDBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccnn1 ZINC000555207134 290207310 /nfs/dbraw/zinc/20/73/10/290207310.db2.gz HTYJEIIAMTWKDA-UHFFFAOYSA-N 0 0 258.237 1.661 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)S1 ZINC000556874280 290313245 /nfs/dbraw/zinc/31/32/45/290313245.db2.gz CFQFJHWMCMDGJG-RNFRBKRXSA-N 0 0 270.314 1.284 20 5 CDBDRN C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285163399 290404373 /nfs/dbraw/zinc/40/43/73/290404373.db2.gz YKXHRIBUAJBWLE-YUMQZZPRSA-N 0 0 252.274 1.626 20 5 CDBDRN COC[C@H](C)N(C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000194265091 293016197 /nfs/dbraw/zinc/01/61/97/293016197.db2.gz ASZRMILCNQLUID-VIFPVBQESA-N 0 0 282.296 1.710 20 5 CDBDRN CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000562878718 293213063 /nfs/dbraw/zinc/21/30/63/293213063.db2.gz JZHDTFIDWYVNGE-CHWSQXEVSA-N 0 0 293.323 1.650 20 5 CDBDRN CO[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000378630891 293653853 /nfs/dbraw/zinc/65/38/53/293653853.db2.gz IAZVQBCPKRJELD-SNVBAGLBSA-N 0 0 293.323 1.818 20 5 CDBDRN CC[C@@H]1CN(C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000568851140 294110444 /nfs/dbraw/zinc/11/04/44/294110444.db2.gz JUWTXCYTKBNBKJ-SECBINFHSA-N 0 0 268.292 1.659 20 5 CDBDRN CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])C1CCCC1 ZINC000570861730 294324888 /nfs/dbraw/zinc/32/48/88/294324888.db2.gz OYONVJQREUHQMA-UHFFFAOYSA-N 0 0 292.339 1.858 20 5 CDBDRN CCCC[C@@H](COC)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572058145 294550245 /nfs/dbraw/zinc/55/02/45/294550245.db2.gz RKEZKNJJBPBMJH-VIFPVBQESA-N 0 0 296.327 1.337 20 5 CDBDRN Cn1ncc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc21 ZINC000573100899 294753339 /nfs/dbraw/zinc/75/33/39/294753339.db2.gz LRONJMDCBLEUKL-UHFFFAOYSA-N 0 0 283.291 1.911 20 5 CDBDRN C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000574450065 295001380 /nfs/dbraw/zinc/00/13/80/295001380.db2.gz CSWHALZHKSJVHZ-SSDOTTSWSA-N 0 0 265.269 1.379 20 5 CDBDRN CNc1nccc(C(=O)N(C)[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000574528062 295014322 /nfs/dbraw/zinc/01/43/22/295014322.db2.gz AICWCCCGALSLLQ-SECBINFHSA-N 0 0 280.328 1.570 20 5 CDBDRN NC(=O)c1cccc(N[C@@H]2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000340855711 295189229 /nfs/dbraw/zinc/18/92/29/295189229.db2.gz WRUDZRIKSQBKMG-JGVFFNPUSA-N 0 0 267.260 1.996 20 5 CDBDRN [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]12 ZINC000186911244 295341182 /nfs/dbraw/zinc/34/11/82/295341182.db2.gz OJBXTDBTMUYVKS-MXWKQRLJSA-N 0 0 291.307 1.110 20 5 CDBDRN O=C(Cn1cnc([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000025586585 295563082 /nfs/dbraw/zinc/56/30/82/295563082.db2.gz JCMJMZFTFHSTLT-RYUDHWBXSA-N 0 0 292.339 1.973 20 5 CDBDRN C[C@@H]1C[C@@H](N2CCOCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286470286 297266679 /nfs/dbraw/zinc/26/66/79/297266679.db2.gz VTFSIIVMFRDNEA-CHWSQXEVSA-N 0 0 291.351 1.894 20 5 CDBDRN C[C@@H]1OCC[C@@]12CN(c1ncccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279387821 297622372 /nfs/dbraw/zinc/62/23/72/297622372.db2.gz HWIMISJLVBNTNR-UHIISALHSA-N 0 0 293.323 1.763 20 5 CDBDRN C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277854498 300303992 /nfs/dbraw/zinc/30/39/92/300303992.db2.gz CNRWTIYAPGYSJG-YYSFKGJASA-N 0 0 269.326 1.195 20 5 CDBDRN C[C@]1(O)CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C1 ZINC000342933706 300849361 /nfs/dbraw/zinc/84/93/61/300849361.db2.gz IOSOGFWBHFLPBH-AWEZNQCLSA-N 0 0 289.291 1.673 20 5 CDBDRN Cc1ccnc(N2CCN(C(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000355572369 302272537 /nfs/dbraw/zinc/27/25/37/302272537.db2.gz FSOJPZGPCWAISN-UHFFFAOYSA-N 0 0 278.312 1.355 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCO[C@H]1c1cccnc1 ZINC000339099805 303021303 /nfs/dbraw/zinc/02/13/03/303021303.db2.gz ZGNQETMLSNZRFH-MNOVXSKESA-N 0 0 289.295 1.665 20 5 CDBDRN NC(=O)c1ccnc(N2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000291168249 303349677 /nfs/dbraw/zinc/34/96/77/303349677.db2.gz QQYJEYACVKAROK-SNVBAGLBSA-N 0 0 290.323 1.715 20 5 CDBDRN Nc1nccc(C(=O)N2CCC23CCC3)c1[N+](=O)[O-] ZINC000563387812 316284467 /nfs/dbraw/zinc/28/44/67/316284467.db2.gz VZQKOTUEBDWKMZ-UHFFFAOYSA-N 0 0 262.269 1.171 20 5 CDBDRN CCN1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000563483211 316317495 /nfs/dbraw/zinc/31/74/95/316317495.db2.gz WXJNOKFRYXAFJZ-GFCCVEGCSA-N 0 0 291.351 1.862 20 5 CDBDRN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000563528441 316324374 /nfs/dbraw/zinc/32/43/74/316324374.db2.gz QTLQAIBFKFZQCE-UHFFFAOYSA-N 0 0 296.327 1.736 20 5 CDBDRN CC(C)[C@H](O)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000563625084 316345564 /nfs/dbraw/zinc/34/55/64/316345564.db2.gz UWRBBCVTUMDZLG-LLVKDONJSA-N 0 0 293.279 1.428 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000563812642 316375718 /nfs/dbraw/zinc/37/57/18/316375718.db2.gz GMWXLEJTHILBBQ-HTQZYQBOSA-N 0 0 282.275 1.583 20 5 CDBDRN C[C@@H]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1C ZINC000576121146 317080830 /nfs/dbraw/zinc/08/08/30/317080830.db2.gz ZWLJNSQODWWMSF-UTLUCORTSA-N 0 0 292.339 1.957 20 5 CDBDRN C[C@H](C(=O)NCc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000576204885 317094705 /nfs/dbraw/zinc/09/47/05/317094705.db2.gz CRHVERLDEMOWQD-JTQLQIEISA-N 0 0 288.307 1.748 20 5 CDBDRN O=C(Nc1cc2ccccn2n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000577088879 317264567 /nfs/dbraw/zinc/26/45/67/317264567.db2.gz FDFKMWSOBPLCDX-UHFFFAOYSA-N 0 0 271.236 1.823 20 5 CDBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCO ZINC000180704322 323218029 /nfs/dbraw/zinc/21/80/29/323218029.db2.gz IFEDSZZUJFBCOE-UHFFFAOYSA-N 0 0 284.337 1.817 20 5 CDBDRN Nc1c(C(=O)Nc2ncccc2O)cc(F)cc1[N+](=O)[O-] ZINC000180990511 323224889 /nfs/dbraw/zinc/22/48/89/323224889.db2.gz ZEUQEFBSBNHSMZ-UHFFFAOYSA-N 0 0 292.226 1.669 20 5 CDBDRN CCOC(=O)C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000181708730 323245067 /nfs/dbraw/zinc/24/50/67/323245067.db2.gz YLTHEQFWQWROFU-MRVPVSSYSA-N 0 0 284.268 1.602 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCOCC1 ZINC000194260680 323545402 /nfs/dbraw/zinc/54/54/02/323545402.db2.gz MKQVVEYAIWEADD-UHFFFAOYSA-N 0 0 295.295 1.145 20 5 CDBDRN CC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H](C)O ZINC000387316593 323765055 /nfs/dbraw/zinc/76/50/55/323765055.db2.gz QMRKVEIEUZRUGG-KOLCDFICSA-N 0 0 266.297 1.792 20 5 CDBDRN Cc1nn(C)c(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000398902283 323880130 /nfs/dbraw/zinc/88/01/30/323880130.db2.gz MCPNYNVTZUQRFD-HBNTYKKESA-N 0 0 280.328 1.234 20 5 CDBDRN C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000579710299 324260299 /nfs/dbraw/zinc/26/02/99/324260299.db2.gz BDNUGZYRRYQTGS-HTRCEHHLSA-N 0 0 299.714 1.890 20 5 CDBDRN CCO[C@@H]1C[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000580033109 324343805 /nfs/dbraw/zinc/34/38/05/324343805.db2.gz IYKMGNZBABREHC-CHWSQXEVSA-N 0 0 289.291 1.983 20 5 CDBDRN C[C@@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000580527421 324486090 /nfs/dbraw/zinc/48/60/90/324486090.db2.gz RZJYSIVMYRXGKR-MRVPVSSYSA-N 0 0 269.276 1.726 20 5 CDBDRN CCOC(=O)[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H](C)CC ZINC000580786263 324564028 /nfs/dbraw/zinc/56/40/28/324564028.db2.gz PVKSVILVQHDQKF-APPZFPTMSA-N 0 0 298.299 1.026 20 5 CDBDRN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC2(CCC2)O1 ZINC000581129586 324657107 /nfs/dbraw/zinc/65/71/07/324657107.db2.gz XCIUQUQADXCOIJ-SECBINFHSA-N 0 0 266.301 1.476 20 5 CDBDRN CCN(CC)C(=O)[C@H](C)Sc1ncc([N+](=O)[O-])c(N)n1 ZINC000581380898 324731717 /nfs/dbraw/zinc/73/17/17/324731717.db2.gz IOCBVKIDEVZKIL-ZETCQYMHSA-N 0 0 299.356 1.146 20 5 CDBDRN CNc1nccc(C(=O)N2C[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000582369163 324963867 /nfs/dbraw/zinc/96/38/67/324963867.db2.gz CXDQEFQSACVIFT-DTWKUNHWSA-N 0 0 278.312 1.324 20 5 CDBDRN CC[C@H]1CC[C@H](C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582558603 325001423 /nfs/dbraw/zinc/00/14/23/325001423.db2.gz QWTKWEATPODRPX-YUMQZZPRSA-N 0 0 252.274 1.721 20 5 CDBDRN Nc1c(F)c(N2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000582783920 325042736 /nfs/dbraw/zinc/04/27/36/325042736.db2.gz XOJPBLSHHLICQU-KCJUWKMLSA-N 0 0 281.287 1.931 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ncn(C)n2)n1 ZINC000583535247 325193601 /nfs/dbraw/zinc/19/36/01/325193601.db2.gz BRTMPYIHQYLFGH-UHFFFAOYSA-N 0 0 286.251 1.749 20 5 CDBDRN Cc1nc(N2C[C@@H](C)C[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC000583805485 325243275 /nfs/dbraw/zinc/24/32/75/325243275.db2.gz NUFYKMPEXHADNA-WPRPVWTQSA-N 0 0 266.301 1.148 20 5 CDBDRN CCOCC(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000584480640 329499862 /nfs/dbraw/zinc/49/98/62/329499862.db2.gz JBMACUVOLVHFKL-UHFFFAOYSA-N 0 0 268.269 1.591 20 5 CDBDRN CCC(CO)(CO)Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001167971477 1160124856 /nfs/dbraw/zinc/12/48/56/1160124856.db2.gz KXUBIDOYOBKQCY-UHFFFAOYSA-N 0 0 298.324 1.145 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000783630358 1160386874 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ZINC000229284664 1177703857 /nfs/dbraw/zinc/70/38/57/1177703857.db2.gz UUMKNQLXWSVFPH-SSDOTTSWSA-N 0 0 274.708 1.857 20 5 CDBDRN COc1ccc(/C=C/C(=O)OC[C@H](C)[N+](=O)[O-])cc1OC ZINC000813115606 724387254 /nfs/dbraw/zinc/38/72/54/724387254.db2.gz WDDUQEXDFZUNIE-STUBTGCMSA-N 0 0 295.291 1.925 20 5 CDBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839703814 725377217 /nfs/dbraw/zinc/37/72/17/725377217.db2.gz KPAIYXQTQUFSNU-GWOFURMSSA-N 0 0 272.370 1.784 20 5 CDBDRN CCc1noc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000841733135 724392131 /nfs/dbraw/zinc/39/21/31/724392131.db2.gz ULFONJTXHIHXTJ-UHFFFAOYSA-N 0 0 290.279 1.779 20 5 CDBDRN CC(C)(CCC(=O)NCC[C@H](O)C1CCCC1)[N+](=O)[O-] ZINC000831402099 724404846 /nfs/dbraw/zinc/40/48/46/724404846.db2.gz MTLMDESNRGHXMY-LBPRGKRZSA-N 0 0 286.372 1.879 20 5 CDBDRN COCCONC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000792201610 724417595 /nfs/dbraw/zinc/41/75/95/724417595.db2.gz XKPILRLLCNVGPE-UHFFFAOYSA-N 0 0 269.257 1.603 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H](C)OC ZINC000155904123 724437739 /nfs/dbraw/zinc/43/77/39/724437739.db2.gz KNTOLOXCLKWIKL-QMMMGPOBSA-N 0 0 269.253 1.795 20 5 CDBDRN C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000785774700 724441374 /nfs/dbraw/zinc/44/13/74/724441374.db2.gz MXYWRYDLNWSMHJ-SECBINFHSA-N 0 0 293.323 1.304 20 5 CDBDRN O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])o1 ZINC000887501390 723697673 /nfs/dbraw/zinc/69/76/73/723697673.db2.gz NQIPNHDQUXPSTP-VHSXEESVSA-N 0 0 280.280 1.875 20 5 CDBDRN Nc1ccc(C(=O)N2CC(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000819725309 723692752 /nfs/dbraw/zinc/69/27/52/723692752.db2.gz ALJAMHMXNFMZNB-UHFFFAOYSA-N 0 0 285.250 1.904 20 5 CDBDRN COC(=O)[C@H](C)OC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000796253397 723716061 /nfs/dbraw/zinc/71/60/61/723716061.db2.gz JCXUCGQODFOEJF-LURJTMIESA-N 0 0 285.256 1.160 20 5 CDBDRN O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716163 723702337 /nfs/dbraw/zinc/70/23/37/723702337.db2.gz MADDSPGJVZEIGZ-VFCFLDTKSA-N 0 0 288.394 1.147 20 5 CDBDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)O1 ZINC000854495477 723702704 /nfs/dbraw/zinc/70/27/04/723702704.db2.gz NXVVCVQKVSHVSE-DNSOKLHBSA-N 0 0 279.296 1.929 20 5 CDBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1CCO ZINC000829015482 723703891 /nfs/dbraw/zinc/70/38/91/723703891.db2.gz KNRBQUBTMXGLTD-PHIMTYICSA-N 0 0 297.330 1.625 20 5 CDBDRN O=C(/C=C/c1ccc[nH]1)OCCn1cc([N+](=O)[O-])cn1 ZINC000782329771 723703898 /nfs/dbraw/zinc/70/38/98/723703898.db2.gz JAKUFIWQFIKALX-ONEGZZNKSA-N 0 0 276.252 1.376 20 5 CDBDRN CC1=NO[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000831320087 723705344 /nfs/dbraw/zinc/70/53/44/723705344.db2.gz BILYFLYQNKNNBB-LBPRGKRZSA-N 0 0 277.280 1.418 20 5 CDBDRN CC(=O)OCCCCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829841842 723705983 /nfs/dbraw/zinc/70/59/83/723705983.db2.gz AWFPKPYOSLBPJX-UHFFFAOYSA-N 0 0 272.217 1.043 20 5 CDBDRN C[C@H](NC(=O)c1cnsn1)c1cccc([N+](=O)[O-])c1 ZINC000048735074 723707675 /nfs/dbraw/zinc/70/76/75/723707675.db2.gz FFYVRFXDCISAND-ZETCQYMHSA-N 0 0 278.293 1.937 20 5 CDBDRN O=C(OCCc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000178410772 723709021 /nfs/dbraw/zinc/70/90/21/723709021.db2.gz CMCAQJGCOXRUKD-UHFFFAOYSA-N 0 0 261.237 1.717 20 5 CDBDRN Cc1nn(CN(C)Cc2ccon2)cc1[N+](=O)[O-] ZINC000779865404 723709181 /nfs/dbraw/zinc/70/91/81/723709181.db2.gz NBSAGQDMVOGEFZ-UHFFFAOYSA-N 0 0 251.246 1.177 20 5 CDBDRN COc1ccc(CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840673058 723714226 /nfs/dbraw/zinc/71/42/26/723714226.db2.gz XOPOXWVUPYNUSR-VXGBXAGGSA-N 0 0 265.265 1.446 20 5 CDBDRN Cc1ccoc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000816100871 723715366 /nfs/dbraw/zinc/71/53/66/723715366.db2.gz XAOWUDIWRGQGAE-UHFFFAOYSA-N 0 0 292.247 1.401 20 5 CDBDRN COCOCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000848170356 723725477 /nfs/dbraw/zinc/72/54/77/723725477.db2.gz MIETTWLPYXGEIR-UHFFFAOYSA-N 0 0 286.259 1.474 20 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ZINC000830360528 723761287 /nfs/dbraw/zinc/76/12/87/723761287.db2.gz LAMXZQJPEHEJNP-UHFFFAOYSA-N 0 0 271.200 1.372 20 5 CDBDRN CC1=NO[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000854415653 723775915 /nfs/dbraw/zinc/77/59/15/723775915.db2.gz IYMHEMXXFRVTOX-CYBMUJFWSA-N 0 0 291.307 1.761 20 5 CDBDRN C[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1cncc(F)c1 ZINC000839082531 723763606 /nfs/dbraw/zinc/76/36/06/723763606.db2.gz PUABIYPUQMXPFY-QMMMGPOBSA-N 0 0 294.242 1.630 20 5 CDBDRN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H]2C[C@]2(CO)C1 ZINC000882235117 723765463 /nfs/dbraw/zinc/76/54/63/723765463.db2.gz HFVWOQTVTDGXDR-IINYFYTJSA-N 0 0 276.292 1.616 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC2CSC2)n1 ZINC000701990550 723766159 /nfs/dbraw/zinc/76/61/59/723766159.db2.gz NTLUSKGGTOBHEJ-UHFFFAOYSA-N 0 0 269.282 1.304 20 5 CDBDRN CC[C@@](C)(CC(=O)OC)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826843648 723772942 /nfs/dbraw/zinc/77/29/42/723772942.db2.gz QKLURPZQHGYKKF-ZDUSSCGKSA-N 0 0 288.344 1.670 20 5 CDBDRN Nc1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000779114425 723782813 /nfs/dbraw/zinc/78/28/13/723782813.db2.gz BDTFWAGNZMYZGB-UHFFFAOYSA-N 0 0 279.277 1.991 20 5 CDBDRN Cc1nn(CN2CCC(C)(O)CC2)c(C)c1[N+](=O)[O-] ZINC000177190351 723783025 /nfs/dbraw/zinc/78/30/25/723783025.db2.gz ZMCKQEGUKXOKCX-UHFFFAOYSA-N 0 0 268.317 1.212 20 5 CDBDRN O=C(OC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000778347748 723794267 /nfs/dbraw/zinc/79/42/67/723794267.db2.gz QOSVPOBRMHFRRK-VIFPVBQESA-N 0 0 299.304 1.186 20 5 CDBDRN CONC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000872650294 723819740 /nfs/dbraw/zinc/81/97/40/723819740.db2.gz SHXKFXNYBKCVMG-UHFFFAOYSA-N 0 0 285.325 1.550 20 5 CDBDRN COC[C@](C)(CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000716803989 723821149 /nfs/dbraw/zinc/82/11/49/723821149.db2.gz WHUIAPWAELEMEH-LBPRGKRZSA-N 0 0 272.276 1.221 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]1Cc1ccccc1 ZINC000839697664 723851469 /nfs/dbraw/zinc/85/14/69/723851469.db2.gz YRXRQEIAYUSNDD-YNEHKIRRSA-N 0 0 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Cc1nn(C)c(NCCC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000402007658 390832980 /nfs/dbraw/zinc/83/29/80/390832980.db2.gz RCTAOBSSOAOGDJ-JTQLQIEISA-N 0 0 268.317 1.865 20 5 CDBDRN CCOc1cc(N(CCO)CCCOC)ccc1[N+](=O)[O-] ZINC000188438359 390958138 /nfs/dbraw/zinc/95/81/38/390958138.db2.gz FHMVMWYUCOEGMK-UHFFFAOYSA-N 0 0 298.339 1.829 20 5 CDBDRN C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000137216779 390942065 /nfs/dbraw/zinc/94/20/65/390942065.db2.gz NKNGBSCKXLUWDG-MFKMUULPSA-N 0 0 294.307 1.207 20 5 CDBDRN C[C@H]1CC(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000363691689 390945751 /nfs/dbraw/zinc/94/57/51/390945751.db2.gz TZTWRIHTAPALNX-VIFPVBQESA-N 0 0 297.742 1.959 20 5 CDBDRN C[C@@H]1COCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000378263247 390926454 /nfs/dbraw/zinc/92/64/54/390926454.db2.gz OWTIBGSSKYQOJG-NSHDSACASA-N 0 0 278.308 1.632 20 5 CDBDRN CC[C@H]1CN(C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000517221912 390968655 /nfs/dbraw/zinc/96/86/55/390968655.db2.gz GAUXGJSGIJHGMW-NSHDSACASA-N 0 0 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CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H](O)C(C)C ZINC000413543765 391237911 /nfs/dbraw/zinc/23/79/11/391237911.db2.gz PMPRHRWZNTWYTH-NXEZZACHSA-N 0 0 254.290 1.592 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCOC ZINC000439932538 391275928 /nfs/dbraw/zinc/27/59/28/391275928.db2.gz OJUDZYZRTDETBF-UHFFFAOYSA-N 0 0 283.284 1.761 20 5 CDBDRN Cc1c(CC(=O)N[C@@H]2CC[S@](=O)C2)cccc1[N+](=O)[O-] ZINC000438931347 391342492 /nfs/dbraw/zinc/34/24/92/391342492.db2.gz XRLMFUCXBJMPAH-GIPWTMENSA-N 0 0 296.348 1.083 20 5 CDBDRN COC[C@@H](C)n1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000186683115 391352651 /nfs/dbraw/zinc/35/26/51/391352651.db2.gz UWJUPNUEDCGQIY-MRVPVSSYSA-N 0 0 294.267 1.844 20 5 CDBDRN CC(C)(O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000190337866 391382088 /nfs/dbraw/zinc/38/20/88/391382088.db2.gz NVHDVCPKAUCZCI-ZETCQYMHSA-N 0 0 257.315 1.791 20 5 CDBDRN Cn1c(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000458277543 391386688 /nfs/dbraw/zinc/38/66/88/391386688.db2.gz MJHNGHQIURYPIP-UTLUCORTSA-N 0 0 263.297 1.852 20 5 CDBDRN Cc1nn(C)c(NCCCO[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000439133029 391424851 /nfs/dbraw/zinc/42/48/51/391424851.db2.gz PTKQPAFMFGNEIJ-NSHDSACASA-N 0 0 298.343 1.982 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000439142035 391428451 /nfs/dbraw/zinc/42/84/51/391428451.db2.gz VJSAAQKNDLSMBT-DTWKUNHWSA-N 0 0 280.280 1.967 20 5 CDBDRN CCO[C@H]1C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000520715496 391470002 /nfs/dbraw/zinc/47/00/02/391470002.db2.gz DQRKWUOMDPLDEC-MFKMUULPSA-N 0 0 294.307 1.657 20 5 CDBDRN O=C(CSc1ccc([N+](=O)[O-])cc1F)N1CCNC1=O ZINC000185151719 391622263 /nfs/dbraw/zinc/62/22/63/391622263.db2.gz XRFFJYXZYWVGLT-UHFFFAOYSA-N 0 0 299.283 1.378 20 5 CDBDRN Cc1cc(N2CCS(=O)(=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000292384973 391630443 /nfs/dbraw/zinc/63/04/43/391630443.db2.gz DGVQOOGYGNFOCS-UHFFFAOYSA-N 0 0 288.300 1.277 20 5 CDBDRN CC[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)(C)O ZINC000292763913 391636056 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CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000569119761 294161758 /nfs/dbraw/zinc/16/17/58/294161758.db2.gz VOFRIBMABBCLQZ-NXEZZACHSA-N 0 0 292.339 1.857 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000570908600 294330626 /nfs/dbraw/zinc/33/06/26/294330626.db2.gz IMJUSLUOSKXKCF-NWDGAFQWSA-N 0 0 264.281 1.810 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CC1CCC1 ZINC000570951520 294340689 /nfs/dbraw/zinc/34/06/89/294340689.db2.gz JCXHLJZFWQXXQC-JTQLQIEISA-N 0 0 281.312 1.214 20 5 CDBDRN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(C)C[C@@H]2C)n1 ZINC000571213324 294390539 /nfs/dbraw/zinc/39/05/39/294390539.db2.gz BNPYMUGWBBRPKT-VIFPVBQESA-N 0 0 294.311 1.137 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000573313020 294792221 /nfs/dbraw/zinc/79/22/21/294792221.db2.gz NTAGEPIXWXODPJ-NWDGAFQWSA-N 0 0 280.280 1.267 20 5 CDBDRN C[C@@H](CC(=O)N(C)c1ccc([N+](=O)[O-])nc1)n1ccnc1 ZINC000573925020 294912610 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ZINC000773201376 575790757 /nfs/dbraw/zinc/79/07/57/575790757.db2.gz XZFIAPYALFRQGE-JTQLQIEISA-N 0 0 293.323 1.515 20 5 CDBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000773513292 575817895 /nfs/dbraw/zinc/81/78/95/575817895.db2.gz VLCHSWLVZSYMCQ-UHFFFAOYSA-N 0 0 268.254 1.105 20 5 CDBDRN Cn1nccc1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000773525461 575819552 /nfs/dbraw/zinc/81/95/52/575819552.db2.gz ZQXRNYZJXFZAJT-UHFFFAOYSA-N 0 0 297.217 1.964 20 5 CDBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCOC1)CC2 ZINC000773993185 575847145 /nfs/dbraw/zinc/84/71/45/575847145.db2.gz YEKPSXCHCZMMMF-LLVKDONJSA-N 0 0 276.292 1.829 20 5 CDBDRN Nc1ccc(NC(=S)NCc2ccon2)cc1[N+](=O)[O-] ZINC000764437951 575906968 /nfs/dbraw/zinc/90/69/68/575906968.db2.gz NBFUSMDPVMUVJR-UHFFFAOYSA-N 0 0 293.308 1.652 20 5 CDBDRN CC(=O)NCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000764490942 575915532 /nfs/dbraw/zinc/91/55/32/575915532.db2.gz YWISCSTUXAAQLY-UHFFFAOYSA-N 0 0 286.671 1.428 20 5 CDBDRN O=C(C[C@H]1COC(=O)C1)NCc1ccccc1[N+](=O)[O-] ZINC000764903714 575962805 /nfs/dbraw/zinc/96/28/05/575962805.db2.gz YRWVSEQUVCFKMJ-SECBINFHSA-N 0 0 278.264 1.164 20 5 CDBDRN COC1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738232809 576051353 /nfs/dbraw/zinc/05/13/53/576051353.db2.gz CPBMRQGOXLHFPH-UHFFFAOYSA-N 0 0 289.295 1.141 20 5 CDBDRN O=C1OCCN1CCOc1c(F)cccc1[N+](=O)[O-] ZINC000766391628 576098606 /nfs/dbraw/zinc/09/86/06/576098606.db2.gz AYUUXKPTPKMFQA-UHFFFAOYSA-N 0 0 270.216 1.565 20 5 CDBDRN Cc1ncc(CCNC(=O)c2c([N+](=O)[O-])cnn2C)s1 ZINC000767085554 576159018 /nfs/dbraw/zinc/15/90/18/576159018.db2.gz ASOHEHJRUBWETA-UHFFFAOYSA-N 0 0 295.324 1.066 20 5 CDBDRN CN(CC(=O)OCCCF)c1ccccc1[N+](=O)[O-] ZINC000767356220 576183331 /nfs/dbraw/zinc/18/33/31/576183331.db2.gz IGLSRPYLPWFBSR-UHFFFAOYSA-N 0 0 270.260 1.934 20 5 CDBDRN Cc1cccc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)n1 ZINC000768465085 576287190 /nfs/dbraw/zinc/28/71/90/576287190.db2.gz VPBDOUCTJMXAOC-UHFFFAOYSA-N 0 0 290.235 1.416 20 5 CDBDRN Cc1cccc(C(=O)OCCC2OCCO2)c1[N+](=O)[O-] ZINC000768513027 576291804 /nfs/dbraw/zinc/29/18/04/576291804.db2.gz VHGXPUWLRJVBFA-UHFFFAOYSA-N 0 0 281.264 1.823 20 5 CDBDRN CC(C)(F)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000768640226 576301447 /nfs/dbraw/zinc/30/14/47/576301447.db2.gz NEMHWALFXWFORF-UHFFFAOYSA-N 0 0 284.243 1.825 20 5 CDBDRN Cn1ncnc1COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000768810828 576309450 /nfs/dbraw/zinc/30/94/50/576309450.db2.gz KBXXPYOLZMBVPR-DAXSKMNVSA-N 0 0 288.263 1.480 20 5 CDBDRN Cc1cc(F)cc(C(=O)N2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000769125048 576332563 /nfs/dbraw/zinc/33/25/63/576332563.db2.gz BPMPYMABNRNVPZ-KWQFWETISA-N 0 0 282.271 1.495 20 5 CDBDRN COC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000759765001 576427466 /nfs/dbraw/zinc/42/74/66/576427466.db2.gz GZIWTTWVOWLQDM-VIFPVBQESA-N 0 0 295.291 1.977 20 5 CDBDRN CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000761061625 576539720 /nfs/dbraw/zinc/53/97/20/576539720.db2.gz MLHXJPMGTQBYSR-MRVPVSSYSA-N 0 0 283.284 1.003 20 5 CDBDRN C[C@@H](OC(=O)[C@H]1CCNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000761103542 576548979 /nfs/dbraw/zinc/54/89/79/576548979.db2.gz MCKAPKQJOYWBIA-ZJUUUORDSA-N 0 0 292.291 1.725 20 5 CDBDRN Cc1noc(COC(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000741927894 576577592 /nfs/dbraw/zinc/57/75/92/576577592.db2.gz CADTZHOQDHQMBW-UHFFFAOYSA-N 0 0 277.236 1.952 20 5 CDBDRN COCCC(=O)COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000761926004 576605278 /nfs/dbraw/zinc/60/52/78/576605278.db2.gz BAYLIGARIOBMSY-UHFFFAOYSA-N 0 0 281.264 1.666 20 5 CDBDRN COCCONC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762000689 576611708 /nfs/dbraw/zinc/61/17/08/576611708.db2.gz OSYOWMMUTYPSSB-SECBINFHSA-N 0 0 268.269 1.393 20 5 CDBDRN CS[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000742738589 576615133 /nfs/dbraw/zinc/61/51/33/576615133.db2.gz IXFXSPIORLTYEK-WPRPVWTQSA-N 0 0 283.353 1.947 20 5 CDBDRN CO[C@H](C)COC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762975870 576697789 /nfs/dbraw/zinc/69/77/89/576697789.db2.gz NOALPVZDAWJCOY-ZCFIWIBFSA-N 0 0 297.292 1.791 20 5 CDBDRN CCOC(=O)COC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000744946423 576706514 /nfs/dbraw/zinc/70/65/14/576706514.db2.gz IKHVNXZDJVIPLD-UHFFFAOYSA-N 0 0 282.252 1.205 20 5 CDBDRN C[C@@H]1N(Cn2cc([N+](=O)[O-])cn2)CCOC1(C)C ZINC000763205210 576721224 /nfs/dbraw/zinc/72/12/24/576721224.db2.gz LCJNNVLYYLANKU-VIFPVBQESA-N 0 0 254.290 1.248 20 5 CDBDRN CC[C@H](C)NC(=O)COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000745386292 576730547 /nfs/dbraw/zinc/73/05/47/576730547.db2.gz RCKFIGGWIMGQEG-JTQLQIEISA-N 0 0 294.307 1.975 20 5 CDBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(N)=O ZINC000763812022 576758909 /nfs/dbraw/zinc/75/89/09/576758909.db2.gz DGFGTFAIYLVIKL-ZETCQYMHSA-N 0 0 298.320 1.737 20 5 CDBDRN CC(=O)NC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746972046 576854054 /nfs/dbraw/zinc/85/40/54/576854054.db2.gz LLMPHIYMPWQOEL-UHFFFAOYSA-N 0 0 298.270 1.692 20 5 CDBDRN CCOC(=O)[C@@H](C)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000747171039 576861481 /nfs/dbraw/zinc/86/14/81/576861481.db2.gz WOODHODRGWWVBK-QMMMGPOBSA-N 0 0 296.279 1.533 20 5 CDBDRN CCOC[C@@H](O)CN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000754110822 576880663 /nfs/dbraw/zinc/88/06/63/576880663.db2.gz ZXEZNAPJBIOVHX-LBPRGKRZSA-N 0 0 280.324 1.663 20 5 CDBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000748102454 576895687 /nfs/dbraw/zinc/89/56/87/576895687.db2.gz JATXFRSGDIHIBD-UHFFFAOYSA-N 0 0 297.217 1.927 20 5 CDBDRN Cc1nc(CC(=O)OCCn2ccc([N+](=O)[O-])n2)cs1 ZINC000748110487 576896302 /nfs/dbraw/zinc/89/63/02/576896302.db2.gz UYPTURFZEKNOOI-UHFFFAOYSA-N 0 0 296.308 1.342 20 5 CDBDRN CC(C)SCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748119368 576896463 /nfs/dbraw/zinc/89/64/63/576896463.db2.gz PVIIZRYHBQVOEP-UHFFFAOYSA-N 0 0 273.314 1.476 20 5 CDBDRN Cc1cccc(OS(=O)(=O)c2cn(C)cn2)c1[N+](=O)[O-] ZINC000755285882 576938711 /nfs/dbraw/zinc/93/87/11/576938711.db2.gz PYCXDPXXAOGGSU-UHFFFAOYSA-N 0 0 297.292 1.404 20 5 CDBDRN Cc1ccc(OS(=O)(=O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000755288795 576938738 /nfs/dbraw/zinc/93/87/38/576938738.db2.gz VJLMWINDLHKCOB-SNVBAGLBSA-N 0 0 287.293 1.401 20 5 CDBDRN C[C@@H](C(=O)O[C@@H]1CNC(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000755741001 576958473 /nfs/dbraw/zinc/95/84/73/576958473.db2.gz RTYUORLJJALZBS-APPZFPTMSA-N 0 0 296.254 1.269 20 5 CDBDRN O=[N+]([O-])c1cnn(CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749800674 576963234 /nfs/dbraw/zinc/96/32/34/576963234.db2.gz SJKITXISUDACQR-MNOVXSKESA-N 0 0 266.301 1.107 20 5 CDBDRN NS(=O)(=O)c1c(NCCC2CCC2)cccc1[N+](=O)[O-] ZINC000756137865 576978825 /nfs/dbraw/zinc/97/88/25/576978825.db2.gz RHJZNPCGTPQJSX-UHFFFAOYSA-N 0 0 299.352 1.844 20 5 CDBDRN CC[C@H](C)COC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000756390193 576988546 /nfs/dbraw/zinc/98/85/46/576988546.db2.gz HYAJXSJOJYWPQX-QMMMGPOBSA-N 0 0 255.274 1.689 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)c1cnccn1 ZINC000751168324 577028385 /nfs/dbraw/zinc/02/83/85/577028385.db2.gz LQWSCJLSIWGZAZ-MRVPVSSYSA-N 0 0 291.267 1.194 20 5 CDBDRN C[C@@H](C(=O)[O-])[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757168131 577033363 /nfs/dbraw/zinc/03/33/63/577033363.db2.gz VRTKEVQQZZLWMQ-QMMMGPOBSA-N 0 0 250.254 1.426 20 5 CDBDRN CC1(C)OCC(NCc2csc([N+](=O)[O-])c2)CO1 ZINC000758012753 577066887 /nfs/dbraw/zinc/06/68/87/577066887.db2.gz VTYGNXNJKIVNPF-UHFFFAOYSA-N 0 0 272.326 1.897 20 5 CDBDRN CC1(CCNc2nc3ccccn3c2[N+](=O)[O-])OCCO1 ZINC000758951899 577143378 /nfs/dbraw/zinc/14/33/78/577143378.db2.gz ZAEZOJAEASQFGU-UHFFFAOYSA-N 0 0 292.295 1.808 20 5 CDBDRN C[C@@H](C[S@](C)=O)N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000753526765 577175713 /nfs/dbraw/zinc/17/57/13/577175713.db2.gz DIVLSETWMVGEES-LXGOIASLSA-N 0 0 296.352 1.446 20 5 CDBDRN CCOCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821377393 607160612 /nfs/dbraw/zinc/16/06/12/607160612.db2.gz AXTMQNMRZQGOPB-UHFFFAOYSA-N 0 0 293.287 1.008 20 5 CDBDRN C[S@@](=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134442253 617244709 /nfs/dbraw/zinc/24/47/09/617244709.db2.gz LQLFKTJWFLKRLZ-SFHVURJKSA-N 0 0 290.728 1.357 20 5 CDBDRN CO[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)CCSC1 ZINC000889424433 617253986 /nfs/dbraw/zinc/25/39/86/617253986.db2.gz YJHLNJIDDGGTFA-GFCCVEGCSA-N 0 0 297.336 1.759 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000890684898 617269936 /nfs/dbraw/zinc/26/99/36/617269936.db2.gz AIZCRLVGLMOAAG-MWLCHTKSSA-N 0 0 282.271 1.448 20 5 CDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](O)[C@H](F)C1 ZINC000890696774 617284530 /nfs/dbraw/zinc/28/45/30/617284530.db2.gz DFAJUYBUMQPOFW-MNOVXSKESA-N 0 0 286.234 1.279 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1cncnc1C1CC1 ZINC000860919922 617328808 /nfs/dbraw/zinc/32/88/08/617328808.db2.gz YWPWKMCZNREAHO-UHFFFAOYSA-N 0 0 251.242 1.178 20 5 CDBDRN CSCC(C)(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000890876606 617344037 /nfs/dbraw/zinc/34/40/37/617344037.db2.gz UOGCQRJLVMNCMR-UHFFFAOYSA-N 0 0 286.357 1.508 20 5 CDBDRN O=C(N[C@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000891081352 617360444 /nfs/dbraw/zinc/36/04/44/617360444.db2.gz ZUZUHRBUIMXOGU-OLZOCXBDSA-N 0 0 276.292 1.750 20 5 CDBDRN Cc1nn(C)c(N2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000845755022 617386380 /nfs/dbraw/zinc/38/63/80/617386380.db2.gz WNBRNOYURRCGMO-KNVOCYPGSA-N 0 0 258.228 1.338 20 5 CDBDRN CCOC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000891428280 617390128 /nfs/dbraw/zinc/39/01/28/617390128.db2.gz ZEGXEBIITDLPLO-VIFPVBQESA-N 0 0 282.300 1.108 20 5 CDBDRN COc1c(O)ccc(CN2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000891452375 617416186 /nfs/dbraw/zinc/41/61/86/617416186.db2.gz WXYRKWDDFCGZGD-SNVBAGLBSA-N 0 0 282.296 1.266 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CCCOCC1 ZINC000892125603 617494466 /nfs/dbraw/zinc/49/44/66/617494466.db2.gz FNRZZUAFBZACBC-UHFFFAOYSA-N 0 0 253.258 1.225 20 5 CDBDRN CCCNC(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892151921 617511275 /nfs/dbraw/zinc/51/12/75/617511275.db2.gz 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O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](c2ccccn2)C1 ZINC000799064308 727986910 /nfs/dbraw/zinc/98/69/10/727986910.db2.gz RMQNTEZZKDMOPE-JTQLQIEISA-N 0 0 286.291 1.948 20 5 CDBDRN C[C@@H]1COC[C@H]1OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000853197253 728002746 /nfs/dbraw/zinc/00/27/46/728002746.db2.gz SMTWAXIPJDPUIH-ZWNOBZJWSA-N 0 0 294.307 1.609 20 5 CDBDRN Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783798599 728019575 /nfs/dbraw/zinc/01/95/75/728019575.db2.gz KWJSVSPRQMYBOT-SMDDNHRTSA-N 0 0 276.292 1.358 20 5 CDBDRN CCN1CC[C@H](OC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1=O ZINC000849714087 728031956 /nfs/dbraw/zinc/03/19/56/728031956.db2.gz HSAYFQXFRYSNQY-LBPRGKRZSA-N 0 0 292.291 1.681 20 5 CDBDRN CC1(C)CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1O ZINC000882281226 728032241 /nfs/dbraw/zinc/03/22/41/728032241.db2.gz AVOLMPVHGMTHGD-QMMMGPOBSA-N 0 0 255.249 1.336 20 5 CDBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1C1CC1 ZINC000175570171 728032426 /nfs/dbraw/zinc/03/24/26/728032426.db2.gz 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/nfs/dbraw/zinc/12/64/45/728126445.db2.gz STYGETSAZBHWRD-UHFFFAOYSA-N 0 0 265.269 1.872 20 5 CDBDRN Cn1ccnc1[C@H]1N(Cn2nccc2[N+](=O)[O-])CC1(C)C ZINC000840105634 728141076 /nfs/dbraw/zinc/14/10/76/728141076.db2.gz CHJHZUOKTZIUIQ-LLVKDONJSA-N 0 0 290.327 1.565 20 5 CDBDRN CCNC(=O)CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000816119477 728152231 /nfs/dbraw/zinc/15/22/31/728152231.db2.gz GBHMORQUNHEWHS-UHFFFAOYSA-N 0 0 284.243 1.417 20 5 CDBDRN COC[C@@H]1CCCN1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000862601158 728162527 /nfs/dbraw/zinc/16/25/27/728162527.db2.gz JCRCBVMQWSTZCN-JTQLQIEISA-N 0 0 297.286 1.490 20 5 CDBDRN C[C@@H](COC(=O)c1cccc2[nH]c(=O)oc21)[N+](=O)[O-] ZINC000813112256 728177891 /nfs/dbraw/zinc/17/78/91/728177891.db2.gz FAKOWMZIVVYONV-LURJTMIESA-N 0 0 266.209 1.355 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CF)C1 ZINC000881661878 728190869 /nfs/dbraw/zinc/19/08/69/728190869.db2.gz DGXHLJVZHRCRNT-JTQLQIEISA-N 0 0 282.271 1.792 20 5 CDBDRN 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291.307 1.393 20 5 CDBDRN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CC[N+](=O)[O-] ZINC000930554796 933400804 /nfs/dbraw/zinc/40/08/04/933400804.db2.gz QFWDCMNKBFRCGE-QWRGUYRKSA-N 0 0 271.361 1.230 20 5 CDBDRN O=[N+]([O-])CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000930612132 933413039 /nfs/dbraw/zinc/41/30/39/933413039.db2.gz NMCXDUWKOSAMCV-LLVKDONJSA-N 0 0 292.257 1.995 20 5 CDBDRN CC[C@@H](C)OCC(=O)OCc1cccnc1[N+](=O)[O-] ZINC001119346185 937712301 /nfs/dbraw/zinc/71/23/01/937712301.db2.gz NIGPCRZHGRFGBI-SECBINFHSA-N 0 0 268.269 1.848 20 5 CDBDRN O=C(OCc1cccnc1[N+](=O)[O-])[C@H]1CC12CCOCC2 ZINC001119354482 937712965 /nfs/dbraw/zinc/71/29/65/937712965.db2.gz JHEKGBGVMZTSPU-LLVKDONJSA-N 0 0 292.291 1.850 20 5 CDBDRN COC[C@@H](O)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001119411301 937717829 /nfs/dbraw/zinc/71/78/29/937717829.db2.gz BUGIWTVPLRKLNR-JTQLQIEISA-N 0 0 291.307 1.952 20 5 CDBDRN CCCCC[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000043268776 934221380 /nfs/dbraw/zinc/22/13/80/934221380.db2.gz 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/nfs/dbraw/zinc/46/09/55/935460955.db2.gz QTRXORGNMYZUIA-UHFFFAOYSA-N 0 0 295.339 1.546 20 5 CDBDRN C[C@H](COC(=O)c1c[nH]c(Br)c1)[N+](=O)[O-] ZINC001122968962 936093592 /nfs/dbraw/zinc/09/35/92/936093592.db2.gz VZPFCPXXKSPODO-RXMQYKEDSA-N 0 0 277.074 1.599 20 5 CDBDRN COC[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccs1 ZINC001122993762 936099957 /nfs/dbraw/zinc/09/99/57/936099957.db2.gz UJQUIZVNXWMMCA-BWZBUEFSSA-N 0 0 272.282 1.039 20 5 CDBDRN Cc1cc(NC(=O)[C@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC001124126367 936288856 /nfs/dbraw/zinc/28/88/56/936288856.db2.gz LMNRSKQLUOMGDP-VIFPVBQESA-N 0 0 251.286 1.792 20 5 CDBDRN CCOC(=O)c1ccnc(N2CC(F)(F)C2)c1[N+](=O)[O-] ZINC001121044108 937854775 /nfs/dbraw/zinc/85/47/75/937854775.db2.gz BZSNBXZZPVYENN-UHFFFAOYSA-N 0 0 287.222 1.622 20 5 CDBDRN O=C1CC[C@@H](CNc2cnc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001156142602 938324046 /nfs/dbraw/zinc/32/40/46/938324046.db2.gz ONPZESWPWDDHJS-QMMMGPOBSA-N 0 0 287.279 1.229 20 5 CDBDRN O=C1CC[C@H](CNc2ccc3c(cccc3[N+](=O)[O-])n2)N1 ZINC001156145035 938324969 /nfs/dbraw/zinc/32/49/69/938324969.db2.gz XDUSDAADFMECFH-SECBINFHSA-N 0 0 286.291 1.834 20 5 CDBDRN COc1nc(NCCn2cccc2)ncc1[N+](=O)[O-] ZINC001156299746 938349696 /nfs/dbraw/zinc/34/96/96/938349696.db2.gz JODMTZYCZDFRMZ-UHFFFAOYSA-N 0 0 263.257 1.307 20 5 CDBDRN CC[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CCOC1 ZINC001156906540 938432720 /nfs/dbraw/zinc/43/27/20/938432720.db2.gz LMNZLZMNRIASOE-CYBMUJFWSA-N 0 0 279.296 1.476 20 5 CDBDRN CCOC(=O)C(F)(F)CNc1ncc([N+](=O)[O-])cc1C ZINC001157055952 938449309 /nfs/dbraw/zinc/44/93/09/938449309.db2.gz CGPAYTXPPQIVMJ-UHFFFAOYSA-N 0 0 289.238 1.909 20 5 CDBDRN Cc1c(C)c(N2C[C@@H]3C[C@H]2C(=O)O3)ncc1[N+](=O)[O-] ZINC001157295681 938476844 /nfs/dbraw/zinc/47/68/44/938476844.db2.gz DHALQKXQLMRZGU-IUCAKERBSA-N 0 0 263.253 1.111 20 5 CDBDRN CCN(CCn1ccnc1)c1ncc(OC)cc1[N+](=O)[O-] ZINC001157462642 938496630 /nfs/dbraw/zinc/49/66/30/938496630.db2.gz RJLFIBXMZJDJDI-UHFFFAOYSA-N 0 0 291.311 1.721 20 5 CDBDRN CCOC(=O)c1ccnc(NCC2CC(=O)C2)c1[N+](=O)[O-] ZINC001157611132 938519519 /nfs/dbraw/zinc/51/95/19/938519519.db2.gz HMCIGUVUJATDIQ-UHFFFAOYSA-N 0 0 293.279 1.558 20 5 CDBDRN Cc1cc(NC#N)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157824688 938552211 /nfs/dbraw/zinc/55/22/11/938552211.db2.gz PSQQQWHOJKYRQP-UHFFFAOYSA-N 0 0 255.237 1.675 20 5 CDBDRN Cc1nc2c(o1)CCN(c1nc(C)ncc1[N+](=O)[O-])C2 ZINC001158827559 938667240 /nfs/dbraw/zinc/66/72/40/938667240.db2.gz LKJACKYWMPKRSQ-UHFFFAOYSA-N 0 0 275.268 1.552 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]1C(C)=O ZINC001158835475 938668644 /nfs/dbraw/zinc/66/86/44/938668644.db2.gz DCIOCQHHPDTKPC-NSHDSACASA-N 0 0 293.279 1.334 20 5 CDBDRN CC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1N ZINC001158838575 938668954 /nfs/dbraw/zinc/66/89/54/938668954.db2.gz ANDVBFWFUGRVAX-JTQLQIEISA-N 0 0 250.258 1.130 20 5 CDBDRN COC(C)(CNc1ncc([N+](=O)[O-])c(C)n1)OC ZINC001159383027 938725460 /nfs/dbraw/zinc/72/54/60/938725460.db2.gz 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ZINC001162221142 938964295 /nfs/dbraw/zinc/96/42/95/938964295.db2.gz IVQMOLSEXLTIIW-UHFFFAOYSA-N 0 0 295.299 1.793 20 5 CDBDRN C[C@@]1(O)CC[C@@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001162355102 939034689 /nfs/dbraw/zinc/03/46/89/939034689.db2.gz YXBYHVMSPOMFHK-ITWVYHRLSA-N 0 0 285.275 1.473 20 5 CDBDRN CCOC(=O)CC(=Nc1ccc([N+](=O)[O-])c(N)n1)OCC ZINC001162425930 939052761 /nfs/dbraw/zinc/05/27/61/939052761.db2.gz LQBRMOHTPXDTQB-YFHOEESVSA-N 0 0 296.283 1.425 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCNC(=O)C2)n1 ZINC001162455304 939058449 /nfs/dbraw/zinc/05/84/49/939058449.db2.gz VGXJNJVUSNWKTB-JTQLQIEISA-N 0 0 278.312 1.687 20 5 CDBDRN O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2CCS(=O)(=O)C2)c1 ZINC001162499799 939072439 /nfs/dbraw/zinc/07/24/39/939072439.db2.gz NWPNEVDIFVTVPL-VIFPVBQESA-N 0 0 295.320 1.675 20 5 CDBDRN O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1CCCC[C@H]1F ZINC001162512970 939076933 /nfs/dbraw/zinc/07/69/33/939076933.db2.gz QPRAXEGOXKXOLR-RKDXNWHRSA-N 0 0 255.249 1.921 20 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/nfs/dbraw/zinc/93/53/96/375935396.db2.gz FSVPHHGOFXJCTG-UHFFFAOYSA-N 0 0 288.263 1.670 20 5 CDBDRN CCOCCOC[C@@H](O)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000358038714 375948668 /nfs/dbraw/zinc/94/86/68/375948668.db2.gz CMDOHJWBXWTHSP-NSHDSACASA-N 0 0 299.327 1.124 20 5 CDBDRN CCC[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000358048526 375949171 /nfs/dbraw/zinc/94/91/71/375949171.db2.gz XOQQMERQKHJUFI-HTQZYQBOSA-N 0 0 252.274 1.247 20 5 CDBDRN C[C@H]1CC[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000429246668 247443812 /nfs/dbraw/zinc/44/38/12/247443812.db2.gz SLOIGPUCFVNCCV-UWVGGRQHSA-N 0 0 266.301 1.438 20 5 CDBDRN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC(=O)N1 ZINC000296412561 376115825 /nfs/dbraw/zinc/11/58/25/376115825.db2.gz RVGUKTBELMPERQ-SSDOTTSWSA-N 0 0 296.258 1.086 20 5 CDBDRN C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262318520 190052837 /nfs/dbraw/zinc/05/28/37/190052837.db2.gz DVOPDZHNKNHZRC-PSASIEDQSA-N 0 0 279.296 1.171 20 5 CDBDRN CC(C)(C(=O)N=c1cc[nH][nH]1)c1ccccc1[N+](=O)[O-] ZINC000429899390 247538902 /nfs/dbraw/zinc/53/89/02/247538902.db2.gz CTWKWDFBUFSOTL-UHFFFAOYSA-N 0 0 274.280 1.656 20 5 CDBDRN Cc1nn(CCC(=O)N2CCSCC2)c(C)c1[N+](=O)[O-] ZINC000263712725 190074458 /nfs/dbraw/zinc/07/44/58/190074458.db2.gz WVAZLUQDSLVRKU-UHFFFAOYSA-N 0 0 298.368 1.374 20 5 CDBDRN Cc1ncccc1-c1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000347560433 376446494 /nfs/dbraw/zinc/44/64/94/376446494.db2.gz MGHFKXRTSQTAIJ-UHFFFAOYSA-N 0 0 286.251 1.749 20 5 CDBDRN CCS(=O)(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000263814739 190080251 /nfs/dbraw/zinc/08/02/51/190080251.db2.gz ZWVZZDRIGNPVGI-UHFFFAOYSA-N 0 0 290.272 1.107 20 5 CDBDRN NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000263903512 190084477 /nfs/dbraw/zinc/08/44/77/190084477.db2.gz JTUANBUJPWKTQM-SECBINFHSA-N 0 0 292.295 1.324 20 5 CDBDRN CO[C@H](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263949403 190086374 /nfs/dbraw/zinc/08/63/74/190086374.db2.gz ZEHNWPKGZTUZNE-SNVBAGLBSA-N 0 0 266.297 1.679 20 5 CDBDRN CCc1n[nH]c(C(=O)NCCCOCC(C)C)c1[N+](=O)[O-] ZINC000171398562 376571255 /nfs/dbraw/zinc/57/12/55/376571255.db2.gz GQKOKAASDXKWOL-UHFFFAOYSA-N 0 0 298.343 1.673 20 5 CDBDRN CCOCCN(CC)c1ccc([N+](=O)[O-])c2nonc21 ZINC000264546393 190117901 /nfs/dbraw/zinc/11/79/01/190117901.db2.gz BZAAGMNNPDFCEI-UHFFFAOYSA-N 0 0 280.284 1.994 20 5 CDBDRN CO[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1OC ZINC000487102928 376777276 /nfs/dbraw/zinc/77/72/76/376777276.db2.gz USRUAMBCBQCGFP-HTQZYQBOSA-N 0 0 298.324 1.154 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)[C@@H]1CCOC1 ZINC000434952987 248146495 /nfs/dbraw/zinc/14/64/95/248146495.db2.gz XSDINXGGBOAQIO-XCBNKYQSSA-N 0 0 287.703 1.453 20 5 CDBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ncc[nH]1 ZINC000140649933 376959040 /nfs/dbraw/zinc/95/90/40/376959040.db2.gz CKDMZZIOPPERND-SSDOTTSWSA-N 0 0 264.241 1.792 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189404712 377283388 /nfs/dbraw/zinc/28/33/88/377283388.db2.gz RVZVRHNOJHWNQJ-BXKDBHETSA-N 0 0 264.281 1.438 20 5 CDBDRN C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1CO ZINC000189404942 377283940 /nfs/dbraw/zinc/28/39/40/377283940.db2.gz YPMVQSZMPGUSFQ-UFBFGSQYSA-N 0 0 279.296 1.020 20 5 CDBDRN C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189490743 377296609 /nfs/dbraw/zinc/29/66/09/377296609.db2.gz MDPDCSLTISVMQN-ZWNOBZJWSA-N 0 0 294.307 1.203 20 5 CDBDRN CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000128618791 377303189 /nfs/dbraw/zinc/30/31/89/377303189.db2.gz OVVOSGPEUXPPSK-UHFFFAOYSA-N 0 0 291.351 1.738 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172144156 377304623 /nfs/dbraw/zinc/30/46/23/377304623.db2.gz HVOHLOBAKGTTLG-UPJWGTAASA-N 0 0 291.307 1.714 20 5 CDBDRN CCC[C@@H](OC)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294302898 377403920 /nfs/dbraw/zinc/40/39/20/377403920.db2.gz GMUMKGSGPPLGAG-CYBMUJFWSA-N 0 0 295.339 1.938 20 5 CDBDRN CCOC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000265061183 190155002 /nfs/dbraw/zinc/15/50/02/190155002.db2.gz PFMIZYQSYZPVAJ-JTQLQIEISA-N 0 0 281.312 1.812 20 5 CDBDRN CNC(=O)CCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000269894549 377491832 /nfs/dbraw/zinc/49/18/32/377491832.db2.gz XHIRJEGTGKLYOS-UHFFFAOYSA-N 0 0 265.313 1.866 20 5 CDBDRN NS(=O)(=O)c1cc(N[C@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000265502907 190187238 /nfs/dbraw/zinc/18/72/38/190187238.db2.gz NLKQONQFKWPHMZ-VIFPVBQESA-N 0 0 297.336 1.763 20 5 CDBDRN Cc1nn(C)c(C(=O)N2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000172635294 377664178 /nfs/dbraw/zinc/66/41/78/377664178.db2.gz WJNAZKYJCKLXKZ-WCBMZHEXSA-N 0 0 280.328 1.897 20 5 CDBDRN C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172759800 377733216 /nfs/dbraw/zinc/73/32/16/377733216.db2.gz VGCOXLLDVYESHJ-MNOVXSKESA-N 0 0 278.308 1.773 20 5 CDBDRN Cc1cccc(OS(=O)(=O)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000270034840 377840144 /nfs/dbraw/zinc/84/01/44/377840144.db2.gz BTZBWKYHWJZEEC-SECBINFHSA-N 0 0 287.293 1.401 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC=C(C)CC1 ZINC000270030321 377837204 /nfs/dbraw/zinc/83/72/04/377837204.db2.gz AXMNFONPGFOESU-UHFFFAOYSA-N 0 0 278.312 1.668 20 5 CDBDRN Cc1nccn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000040142312 377790591 /nfs/dbraw/zinc/79/05/91/377790591.db2.gz LURGTIIUCFDIKQ-GFCCVEGCSA-N 0 0 277.280 1.540 20 5 CDBDRN CCCc1n[nH]c(C(=O)N(C)CCOCC)c1[N+](=O)[O-] ZINC000089373778 377842712 /nfs/dbraw/zinc/84/27/12/377842712.db2.gz BGRMPRBOIYXTTO-UHFFFAOYSA-N 0 0 284.316 1.379 20 5 CDBDRN CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000270064868 377843324 /nfs/dbraw/zinc/84/33/24/377843324.db2.gz IIJLKZSHIAJCPB-WCQYABFASA-N 0 0 278.308 1.828 20 5 CDBDRN COc1cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000266045668 190225861 /nfs/dbraw/zinc/22/58/61/190225861.db2.gz GTNLPUQTCYKSOP-GXSJLCMTSA-N 0 0 294.307 1.758 20 5 CDBDRN CCC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266064048 190227432 /nfs/dbraw/zinc/22/74/32/190227432.db2.gz BCHOLZUTPYZMII-UHFFFAOYSA-N 0 0 278.308 1.972 20 5 CDBDRN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000266055807 190226778 /nfs/dbraw/zinc/22/67/78/190226778.db2.gz IAOHVFAMAKSMFW-QWRGUYRKSA-N 0 0 294.307 1.515 20 5 CDBDRN CC[C@@H]1COCCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194376411 378362840 /nfs/dbraw/zinc/36/28/40/378362840.db2.gz NNCWPEHSKCGHMI-SNVBAGLBSA-N 0 0 294.307 1.854 20 5 CDBDRN Cc1nn(C)c(C(=O)N(C)CC2CC2)c1[N+](=O)[O-] ZINC000194206088 378337938 /nfs/dbraw/zinc/33/79/38/378337938.db2.gz CFBZITFNHDJCRA-UHFFFAOYSA-N 0 0 252.274 1.119 20 5 CDBDRN COC(=O)CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266084770 190229657 /nfs/dbraw/zinc/22/96/57/190229657.db2.gz XFPWYYXDJREEQR-UHFFFAOYSA-N 0 0 280.280 1.207 20 5 CDBDRN COc1cc(C(=O)N[C@@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000223299251 378557733 /nfs/dbraw/zinc/55/77/33/378557733.db2.gz WIZZSXQKJKOGNK-NSHDSACASA-N 0 0 296.323 1.740 20 5 CDBDRN CS(=O)(=O)CCSc1ccc([N+](=O)[O-])cc1F ZINC000069705490 378589633 /nfs/dbraw/zinc/58/96/33/378589633.db2.gz GFPVWSGIHSWBKB-UHFFFAOYSA-N 0 0 279.314 1.871 20 5 CDBDRN CC(C)OCCCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000544018125 378734800 /nfs/dbraw/zinc/73/48/00/378734800.db2.gz CZQLMXJNOLRGEN-UHFFFAOYSA-N 0 0 283.328 1.868 20 5 CDBDRN Cc1cc(=O)n(CCCCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000278488272 194008005 /nfs/dbraw/zinc/00/80/05/194008005.db2.gz AUHKJLFPFWRMOE-UHFFFAOYSA-N 0 0 296.323 1.998 20 5 CDBDRN Cc1sc(S(=O)(=O)N2CCCCO2)cc1[N+](=O)[O-] ZINC000443013490 250000403 /nfs/dbraw/zinc/00/04/03/250000403.db2.gz NAKAAECBWSWNBO-UHFFFAOYSA-N 0 0 292.338 1.681 20 5 CDBDRN COc1cccc(C(=O)NCc2c[nH]nc2C)c1[N+](=O)[O-] ZINC000443951387 250067104 /nfs/dbraw/zinc/06/71/04/250067104.db2.gz XNJZJFYQXKRICM-UHFFFAOYSA-N 0 0 290.279 1.565 20 5 CDBDRN CCc1n[nH]c(C(=O)N2C[C@@H](C)OC[C@H]2CC)c1[N+](=O)[O-] ZINC000278621923 194073330 /nfs/dbraw/zinc/07/33/30/194073330.db2.gz PCVKCRHJRUDZRC-RKDXNWHRSA-N 0 0 296.327 1.520 20 5 CDBDRN COc1cccc(C(=O)NCc2ncc(C)o2)c1[N+](=O)[O-] ZINC000444297796 250118419 /nfs/dbraw/zinc/11/84/19/250118419.db2.gz KYEISEULMHPDTD-UHFFFAOYSA-N 0 0 291.263 1.830 20 5 CDBDRN CNc1c(C(=O)N2CC(C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000444576041 250148600 /nfs/dbraw/zinc/14/86/00/250148600.db2.gz ZTKYBDMRWKKJBV-UHFFFAOYSA-N 0 0 293.323 1.479 20 5 CDBDRN Cc1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000444871670 250197091 /nfs/dbraw/zinc/19/70/91/250197091.db2.gz IWOIVSMKKQKKKU-UHFFFAOYSA-N 0 0 288.263 1.329 20 5 CDBDRN C[C@@H](C[C@@H]1CCCO1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445190198 250210973 /nfs/dbraw/zinc/21/09/73/250210973.db2.gz PPDYLPIDHZPYTN-WPRPVWTQSA-N 0 0 295.295 1.383 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C\c2ccc[nH]2)n1 ZINC000445577125 250220726 /nfs/dbraw/zinc/22/07/26/250220726.db2.gz ZZFHEWDEJOVOSZ-PLNGDYQASA-N 0 0 286.251 1.877 20 5 CDBDRN CC(C)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444988945 250202633 /nfs/dbraw/zinc/20/26/33/250202633.db2.gz FQRXWALMHRYOOU-JTQLQIEISA-N 0 0 279.296 1.956 20 5 CDBDRN COC[C@H](C)OC[C@@H](O)COc1c(C)cccc1[N+](=O)[O-] ZINC000446991047 250332818 /nfs/dbraw/zinc/33/28/18/250332818.db2.gz NLZMLPUDOGCACX-NWDGAFQWSA-N 0 0 299.323 1.694 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(=O)[nH]c1 ZINC000173819450 379315694 /nfs/dbraw/zinc/31/56/94/379315694.db2.gz IDXLXSGVZJJYTJ-UHFFFAOYSA-N 0 0 287.275 1.554 20 5 CDBDRN CN(C(=O)Cc1cccnc1)c1ccc([N+](=O)[O-])nc1 ZINC000344225305 379336655 /nfs/dbraw/zinc/33/66/55/379336655.db2.gz RPDPLXQXXGVXBA-UHFFFAOYSA-N 0 0 272.264 1.590 20 5 CDBDRN Cc1cccc(C(=O)NC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000041379957 379369830 /nfs/dbraw/zinc/36/98/30/379369830.db2.gz FYNAOJRBCFTQSU-SNVBAGLBSA-N 0 0 264.281 1.670 20 5 CDBDRN C[C@@H](C(=O)[O-])[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248922 379414375 /nfs/dbraw/zinc/41/43/75/379414375.db2.gz XAESHTQIMHMZNR-JTQLQIEISA-N 0 0 294.307 1.911 20 5 CDBDRN C[C@H](CC[S@](C)=O)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266803687 190281647 /nfs/dbraw/zinc/28/16/47/190281647.db2.gz ZJAGQQWTSIUQOH-YBYGRFCBSA-N 0 0 299.352 1.873 20 5 CDBDRN C[C@H](NCc1nnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000266864700 190285952 /nfs/dbraw/zinc/28/59/52/190285952.db2.gz LVHNPBQQYMDKJI-JTQLQIEISA-N 0 0 287.323 1.983 20 5 CDBDRN C[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000174524221 379518130 /nfs/dbraw/zinc/51/81/30/379518130.db2.gz AUHODXPGPSOSRT-CYNONHLPSA-N 0 0 287.279 1.604 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)CC1(C)C ZINC000266902016 190288697 /nfs/dbraw/zinc/28/86/97/190288697.db2.gz IOADVIOPSDZVTP-VIFPVBQESA-N 0 0 280.328 1.747 20 5 CDBDRN COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267068552 190301128 /nfs/dbraw/zinc/30/11/28/190301128.db2.gz VFZOAZBWELRKMQ-VIFPVBQESA-N 0 0 284.287 1.975 20 5 CDBDRN C[C@H](O)CN(CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267079574 190301937 /nfs/dbraw/zinc/30/19/37/190301937.db2.gz MOJSHDHPKXXLLB-LBPRGKRZSA-N 0 0 290.323 1.679 20 5 CDBDRN 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ZINC000432852866 279685516 /nfs/dbraw/zinc/68/55/16/279685516.db2.gz RVSDJFXBPVEHKO-JTQLQIEISA-N 0 0 269.301 1.212 20 5 CDBDRN COCCO[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000193559967 280000881 /nfs/dbraw/zinc/00/08/81/280000881.db2.gz CTQKYKMMHMPYAZ-LBPRGKRZSA-N 0 0 281.312 1.622 20 5 CDBDRN COCCO[C@@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000193558440 280000889 /nfs/dbraw/zinc/00/08/89/280000889.db2.gz MNSWLMYMTMTRNI-GFCCVEGCSA-N 0 0 295.339 1.930 20 5 CDBDRN COC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000193618724 280005068 /nfs/dbraw/zinc/00/50/68/280005068.db2.gz DUUKAZAWVPYIQP-SECBINFHSA-N 0 0 282.296 1.710 20 5 CDBDRN O=C(NCc1nccn1C(F)F)c1ccc([N+](=O)[O-])o1 ZINC000195034783 280067400 /nfs/dbraw/zinc/06/74/00/280067400.db2.gz YTSMTXNSQXNNIN-UHFFFAOYSA-N 0 0 286.194 1.709 20 5 CDBDRN CS[C@@H](CO)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000218893812 280091150 /nfs/dbraw/zinc/09/11/50/280091150.db2.gz PJEJJTASNLUGSE-CBAPKCEASA-N 0 0 257.315 1.514 20 5 CDBDRN C[C@H]1[C@H](CO)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000362677458 280112995 /nfs/dbraw/zinc/11/29/95/280112995.db2.gz YLDRDTKQXKZBGV-IUCAKERBSA-N 0 0 254.261 1.941 20 5 CDBDRN C[S@](=O)c1nncn1-c1c(F)cc([N+](=O)[O-])cc1F ZINC000301812596 280180551 /nfs/dbraw/zinc/18/05/51/280180551.db2.gz YMERZCNOGHMKEY-IBGZPJMESA-N 0 0 288.235 1.191 20 5 CDBDRN CC[C@@H]1CC[C@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000271482215 280332688 /nfs/dbraw/zinc/33/26/88/280332688.db2.gz SOSGALMVPNZFRH-VHSXEESVSA-N 0 0 266.301 1.581 20 5 CDBDRN O=[N+]([O-])c1c(N2CC[C@]3(CCOC3)C2)nc2sccn21 ZINC000301599337 280354460 /nfs/dbraw/zinc/35/44/60/280354460.db2.gz HVPUILZUWUCSFN-LBPRGKRZSA-N 0 0 294.336 1.921 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1)CN(c1ncc(F)cn1)CCO2 ZINC000357793722 280370428 /nfs/dbraw/zinc/37/04/28/280370428.db2.gz CHQBUNFAZUHHQC-UHFFFAOYSA-N 0 0 290.254 1.923 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1N1CC[C@@](F)(CO)C1)CCN2 ZINC000338419573 280370994 /nfs/dbraw/zinc/37/09/94/280370994.db2.gz REFUXCZHIUSINB-ZDUSSCGKSA-N 0 0 281.287 1.474 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](SC)C2)n1 ZINC000294437111 280585159 /nfs/dbraw/zinc/58/51/59/280585159.db2.gz QDMRZUWIDYEMKB-QMMMGPOBSA-N 0 0 297.336 1.718 20 5 CDBDRN Cc1cnc(N2C[C@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000399272452 280722514 /nfs/dbraw/zinc/72/25/14/280722514.db2.gz UULRQIHQVZSJBO-NXEZZACHSA-N 0 0 251.286 1.648 20 5 CDBDRN Cc1cc(=O)n(CCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515672536 280905030 /nfs/dbraw/zinc/90/50/30/280905030.db2.gz CUKVXJWFZMGEJD-VXGBXAGGSA-N 0 0 295.339 1.174 20 5 CDBDRN CC(C)Oc1nc(N[C@H]2CC[S@](=O)C2)ccc1[N+](=O)[O-] ZINC000516981603 280963782 /nfs/dbraw/zinc/96/37/82/280963782.db2.gz QLXUJOZDAKDHML-LXGOIASLSA-N 0 0 299.352 1.132 20 5 CDBDRN C[C@H]1CN(CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000522275576 281095892 /nfs/dbraw/zinc/09/58/92/281095892.db2.gz PPLFSFDLBGBHAC-JTQLQIEISA-N 0 0 266.301 1.122 20 5 CDBDRN CC[C@H]1[C@@H](C)CCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000274809964 281266385 /nfs/dbraw/zinc/26/63/85/281266385.db2.gz QGNHIYSINQRVBT-CBAPKCEASA-N 0 0 266.301 1.887 20 5 CDBDRN COc1cc(Oc2nccn3nnnc23)ccc1[N+](=O)[O-] ZINC000530537631 281538940 /nfs/dbraw/zinc/53/89/40/281538940.db2.gz UAYYQLWEBMYWMZ-UHFFFAOYSA-N 0 0 288.223 1.228 20 5 CDBDRN C[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000274655257 288349832 /nfs/dbraw/zinc/34/98/32/288349832.db2.gz HSZVNAIKPVEOQB-SSDOTTSWSA-N 0 0 255.249 1.541 20 5 CDBDRN Cc1nc(N2CC(OCC(F)F)C2)ccc1[N+](=O)[O-] ZINC000531853633 281852385 /nfs/dbraw/zinc/85/23/85/281852385.db2.gz WPGJINXQWPUPIT-UHFFFAOYSA-N 0 0 273.239 1.769 20 5 CDBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)c2cnccn2)c1 ZINC000531931410 281870774 /nfs/dbraw/zinc/87/07/74/281870774.db2.gz VRUIHYAQJKNDIQ-UHFFFAOYSA-N 0 0 279.277 1.359 20 5 CDBDRN C[C@H](O)[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000532615631 282007829 /nfs/dbraw/zinc/00/78/29/282007829.db2.gz GELIBQLYZLMRIQ-GXSJLCMTSA-N 0 0 293.323 1.291 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000532631175 282012601 /nfs/dbraw/zinc/01/26/01/282012601.db2.gz BPUYKGBDSPQIKC-RKDXNWHRSA-N 0 0 284.337 1.889 20 5 CDBDRN CN(C)C(=O)[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153540233 289000318 /nfs/dbraw/zinc/00/03/18/289000318.db2.gz FFAUUYHKIRLNFJ-VIFPVBQESA-N 0 0 298.730 1.700 20 5 CDBDRN CN(C)C(=O)[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153540318 289021804 /nfs/dbraw/zinc/02/18/04/289021804.db2.gz FFAUUYHKIRLNFJ-SECBINFHSA-N 0 0 298.730 1.700 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1C=CCCC1 ZINC000151370112 289090464 /nfs/dbraw/zinc/09/04/64/289090464.db2.gz QNYPQTOQMIPOQE-JTQLQIEISA-N 0 0 279.300 1.199 20 5 CDBDRN CC[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000152383572 289130892 /nfs/dbraw/zinc/13/08/92/289130892.db2.gz JNXUAURLVNBJOM-JTQLQIEISA-N 0 0 295.339 1.775 20 5 CDBDRN C[C@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000152965013 289152755 /nfs/dbraw/zinc/15/27/55/289152755.db2.gz UNNILPRNCLLJLD-CQSZACIVSA-N 0 0 293.323 1.692 20 5 CDBDRN C[C@H](CNc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000153971400 289189478 /nfs/dbraw/zinc/18/94/78/289189478.db2.gz LSICGTHUFBNEHW-SECBINFHSA-N 0 0 289.295 1.548 20 5 CDBDRN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCCO1 ZINC000155877378 289253439 /nfs/dbraw/zinc/25/34/39/289253439.db2.gz IZNJSLOXKQGMON-HWKANZROSA-N 0 0 266.228 1.911 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1cn[nH]n1 ZINC000155867488 289253579 /nfs/dbraw/zinc/25/35/79/289253579.db2.gz DOLNMIZXPZTWEI-UHFFFAOYSA-N 0 0 293.308 1.752 20 5 CDBDRN CC[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000255566867 289377368 /nfs/dbraw/zinc/37/73/68/289377368.db2.gz XYRIWRPLOKVJJE-OJIASSBASA-N 0 0 292.291 1.676 20 5 CDBDRN O=C1CCCN1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000405425578 289447615 /nfs/dbraw/zinc/44/76/15/289447615.db2.gz VIFKDARJHDAMPU-UHFFFAOYSA-N 0 0 267.260 1.768 20 5 CDBDRN C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541924160 289527875 /nfs/dbraw/zinc/52/78/75/289527875.db2.gz SSCFQEMBJQXNPX-ZJUUUORDSA-N 0 0 294.311 1.036 20 5 CDBDRN COc1ccc(NC(=O)C2(C(N)=O)CCC2)cc1[N+](=O)[O-] ZINC000543000540 289576650 /nfs/dbraw/zinc/57/66/50/289576650.db2.gz DCAIUOATXBETRH-UHFFFAOYSA-N 0 0 293.279 1.198 20 5 CDBDRN CC[C@@H](C)CN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548741939 289923701 /nfs/dbraw/zinc/92/37/01/289923701.db2.gz FCZFRNKQGZVEQV-MRVPVSSYSA-N 0 0 266.301 1.520 20 5 CDBDRN CC1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCC1 ZINC000548747602 289923999 /nfs/dbraw/zinc/92/39/99/289923999.db2.gz UJRBWJYZRZKAOL-UHFFFAOYSA-N 0 0 252.274 1.628 20 5 CDBDRN O=C(NCc1cnc2ccccc2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000549202282 289960441 /nfs/dbraw/zinc/96/04/41/289960441.db2.gz KIEKCAPPKBIJKH-UHFFFAOYSA-N 0 0 297.274 1.796 20 5 CDBDRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000549778948 289976397 /nfs/dbraw/zinc/97/63/97/289976397.db2.gz CQMOOCHICSIFIX-GXSJLCMTSA-N 0 0 290.254 1.743 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(F)c1 ZINC000160658960 292791973 /nfs/dbraw/zinc/79/19/73/292791973.db2.gz PMEWKWITKALQFS-UHFFFAOYSA-N 0 0 282.206 1.859 20 5 CDBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000554877578 290195732 /nfs/dbraw/zinc/19/57/32/290195732.db2.gz LKZJMJWXDQDRSI-VHSXEESVSA-N 0 0 296.352 1.818 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000556798391 290300522 /nfs/dbraw/zinc/30/05/22/290300522.db2.gz ZUPSELYCGMIIOQ-AYMMMOKOSA-N 0 0 296.327 1.566 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1csnn1 ZINC000556865839 290312264 /nfs/dbraw/zinc/31/22/64/290312264.db2.gz XNEHSZGDVGUDSD-LURJTMIESA-N 0 0 281.297 1.276 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1Cc2cccnc2C1 ZINC000559253910 290441209 /nfs/dbraw/zinc/44/12/09/290441209.db2.gz FVPDEHQSOUZXOF-UHFFFAOYSA-N 0 0 299.286 1.911 20 5 CDBDRN CNC(=O)[C@@H]1CCCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000110596981 290557795 /nfs/dbraw/zinc/55/77/95/290557795.db2.gz KATBRXLWFWRXSU-LLVKDONJSA-N 0 0 277.324 1.866 20 5 CDBDRN Cc1nc(N2CC[S@@](=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000373028895 293303888 /nfs/dbraw/zinc/30/38/88/293303888.db2.gz LXPMDXLACHWHQV-HOGDKLEQSA-N 0 0 283.353 1.646 20 5 CDBDRN CSc1ccnc(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000563242071 293322646 /nfs/dbraw/zinc/32/26/46/293322646.db2.gz JPTFAICCKPEFLC-UHFFFAOYSA-N 0 0 280.313 1.415 20 5 CDBDRN Cc1nc2c(c(-n3ccc(=O)c([N+](=O)[O-])c3)n1)CCCC2 ZINC000272927975 293399930 /nfs/dbraw/zinc/39/99/30/293399930.db2.gz VAKOEHLPCIIDCH-UHFFFAOYSA-N 0 0 286.291 1.723 20 5 CDBDRN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C(F)(F)F ZINC000565195566 293553910 /nfs/dbraw/zinc/55/39/10/293553910.db2.gz OMZHZUGODXNMLG-YFKPBYRVSA-N 0 0 292.217 1.331 20 5 CDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)OC(C)(C)C ZINC000565552792 293636863 /nfs/dbraw/zinc/63/68/63/293636863.db2.gz IQHPFPHXBBQORO-SSDOTTSWSA-N 0 0 298.299 1.168 20 5 CDBDRN C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CO1 ZINC000567354980 293766327 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C[S@](=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932180150 729980218 /nfs/dbraw/zinc/98/02/18/729980218.db2.gz PHQHMZNQZXRXDE-JGRMJRGVSA-N 0 0 296.348 1.193 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1COCO1 ZINC000853687564 729981023 /nfs/dbraw/zinc/98/10/23/729981023.db2.gz WRKSWQKTASGZND-ZETCQYMHSA-N 0 0 259.649 1.428 20 5 CDBDRN C[C@]1(COC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]2C[C@H]2C1 ZINC000816135813 729981339 /nfs/dbraw/zinc/98/13/39/729981339.db2.gz FNCIYTAMWVTDTF-GDGBQDQQSA-N 0 0 280.284 1.166 20 5 CDBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1OCCCO1 ZINC000787965744 729982601 /nfs/dbraw/zinc/98/26/01/729982601.db2.gz WPUOKGTYZCUQBJ-DAXSKMNVSA-N 0 0 292.291 1.487 20 5 CDBDRN O=Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000175879478 729994390 /nfs/dbraw/zinc/99/43/90/729994390.db2.gz LDOWNILCUHKMDC-UHFFFAOYSA-N 0 0 273.248 1.665 20 5 CDBDRN O=C(N[C@H]1c2ccccc2CC[C@H]1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882703492 729995015 /nfs/dbraw/zinc/99/50/15/729995015.db2.gz 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COC(=O)Cc1ccc(N2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000827852005 730053471 /nfs/dbraw/zinc/05/34/71/730053471.db2.gz HSRKOTRJNHNCKA-TVQRCGJNSA-N 0 0 294.307 1.127 20 5 CDBDRN C=C=CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000867469965 730055474 /nfs/dbraw/zinc/05/54/74/730055474.db2.gz UDVQFGIFCVYOGY-UHFFFAOYSA-N 0 0 282.321 1.831 20 5 CDBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000177740778 730056046 /nfs/dbraw/zinc/05/60/46/730056046.db2.gz BSIGMZVJLJAYJP-UHFFFAOYSA-N 0 0 251.198 1.241 20 5 CDBDRN CC(C)n1cc(C(=O)OCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000787813169 730290706 /nfs/dbraw/zinc/29/07/06/730290706.db2.gz YRLOSACMZSOQMK-UHFFFAOYSA-N 0 0 293.283 1.426 20 5 CDBDRN COCC1(C)CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823950173 730291843 /nfs/dbraw/zinc/29/18/43/730291843.db2.gz DWIIZUOBGZKWOL-UHFFFAOYSA-N 0 0 294.311 1.677 20 5 CDBDRN Cc1cc(CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000025139664 730303490 /nfs/dbraw/zinc/30/34/90/730303490.db2.gz 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C[C@@H](O)c1cn(C2CN(c3ccsc3[N+](=O)[O-])C2)nn1 ZINC000865665495 730357058 /nfs/dbraw/zinc/35/70/58/730357058.db2.gz TXFFHDTVOKAQQW-SSDOTTSWSA-N 0 0 295.324 1.362 20 5 CDBDRN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839596538 730360814 /nfs/dbraw/zinc/36/08/14/730360814.db2.gz YVUOXYSSHSGCLM-DDHJBXDOSA-N 0 0 264.256 1.463 20 5 CDBDRN O=C(NCC1(CCO)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840398622 730362282 /nfs/dbraw/zinc/36/22/82/730362282.db2.gz ZHBQTOAECVGATK-GHMZBOCLSA-N 0 0 270.329 1.101 20 5 CDBDRN CCn1ncc(CNCc2cc([N+](=O)[O-])ccc2OC)n1 ZINC000838937172 730367464 /nfs/dbraw/zinc/36/74/64/730367464.db2.gz RCLVUDQQHCDICK-UHFFFAOYSA-N 0 0 291.311 1.505 20 5 CDBDRN O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000839477619 730387681 /nfs/dbraw/zinc/38/76/81/730387681.db2.gz SFNZRDNTRVBUNE-PSASIEDQSA-N 0 0 290.304 1.809 20 5 CDBDRN Cn1cnnc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149142211 730389426 /nfs/dbraw/zinc/38/94/26/730389426.db2.gz 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CDBDRN COc1ccc(NC(=O)C2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000597492993 343557311 /nfs/dbraw/zinc/55/73/11/343557311.db2.gz XTGMSBYUFBRLJL-UHFFFAOYSA-N 0 0 279.296 1.636 20 5 CDBDRN Cc1nc(N(C[C@@H]2CCOC2)C2CC2)ncc1[N+](=O)[O-] ZINC000295027780 199307567 /nfs/dbraw/zinc/30/75/67/199307567.db2.gz MRNHIYPODWLWRI-JTQLQIEISA-N 0 0 278.312 1.699 20 5 CDBDRN CC(=O)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000597710968 343607398 /nfs/dbraw/zinc/60/73/98/343607398.db2.gz RJMLACNICNPTNN-NSHDSACASA-N 0 0 279.296 1.517 20 5 CDBDRN Cc1c(C(=O)N2CCC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000295057835 199322631 /nfs/dbraw/zinc/32/26/31/199322631.db2.gz YDICMMVOLGIDQL-NSHDSACASA-N 0 0 278.308 1.890 20 5 CDBDRN CC(=O)NC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301262390 136427801 /nfs/dbraw/zinc/42/78/01/136427801.db2.gz GPKKHLUALUNXFP-UHFFFAOYSA-N 0 0 298.730 1.748 20 5 CDBDRN COCC1(N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000597941627 343674310 /nfs/dbraw/zinc/67/43/10/343674310.db2.gz 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O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCOC1 ZINC000179066473 367169753 /nfs/dbraw/zinc/16/97/53/367169753.db2.gz MBUJKCNOCXNRLB-JTQLQIEISA-N 0 0 265.269 1.183 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000272197960 367310244 /nfs/dbraw/zinc/31/02/44/367310244.db2.gz OXXZIXNQZSXHPY-KOLCDFICSA-N 0 0 291.307 1.897 20 5 CDBDRN O=C(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC1CC1 ZINC000272192518 367310755 /nfs/dbraw/zinc/31/07/55/367310755.db2.gz LDFYMCCQRLGTPA-UHFFFAOYSA-N 0 0 294.267 1.441 20 5 CDBDRN O=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC000348494063 367419849 /nfs/dbraw/zinc/41/98/49/367419849.db2.gz KUTGNJQSSRWSGV-UHFFFAOYSA-N 0 0 280.671 1.901 20 5 CDBDRN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000272236745 367567292 /nfs/dbraw/zinc/56/72/92/367567292.db2.gz MVDXRUWYZCGANX-RNCFNFMXSA-N 0 0 293.323 1.864 20 5 CDBDRN Cc1ccc(S(=O)(=O)NC[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000416644899 242085531 /nfs/dbraw/zinc/08/55/31/242085531.db2.gz 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Cc1c(CN2C[C@H](C)CS2(=O)=O)cccc1[N+](=O)[O-] ZINC000419067082 243519875 /nfs/dbraw/zinc/51/98/75/243519875.db2.gz KXBYEADGCGILBT-VIFPVBQESA-N 0 0 284.337 1.685 20 5 CDBDRN CC(C)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000330624552 203053911 /nfs/dbraw/zinc/05/39/11/203053911.db2.gz GIOHNHKEUGDGQM-CABZTGNLSA-N 0 0 281.312 1.856 20 5 CDBDRN CCNC(=O)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037562729 369080339 /nfs/dbraw/zinc/08/03/39/369080339.db2.gz JUNKRSDEYDRLSD-ZETCQYMHSA-N 0 0 257.315 1.271 20 5 CDBDRN CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000269399831 369053707 /nfs/dbraw/zinc/05/37/07/369053707.db2.gz USTCPYKRXCKXMP-MRVPVSSYSA-N 0 0 284.703 1.310 20 5 CDBDRN C[C@H]1CN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330677797 203105516 /nfs/dbraw/zinc/10/55/16/203105516.db2.gz VOGJVBIJXLMOCM-NSHDSACASA-N 0 0 277.324 1.300 20 5 CDBDRN CCCCOCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420589238 244268512 /nfs/dbraw/zinc/26/85/12/244268512.db2.gz SQBJVDYXTVAPQJ-UHFFFAOYSA-N 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COc1ccc(NC(=O)NC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000272799254 369928844 /nfs/dbraw/zinc/92/88/44/369928844.db2.gz HIZWRCOILMQVOD-SECBINFHSA-N 0 0 297.311 1.743 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000276790437 193460944 /nfs/dbraw/zinc/46/09/44/193460944.db2.gz KHWANKXPCGJMKE-VIFPVBQESA-N 0 0 294.311 1.501 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)C1 ZINC000421777918 244824106 /nfs/dbraw/zinc/82/41/06/244824106.db2.gz CHOMQHZCJMYUHH-SNVBAGLBSA-N 0 0 264.281 1.418 20 5 CDBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CN2CCN1CC2 ZINC000269460497 370129161 /nfs/dbraw/zinc/12/91/61/370129161.db2.gz GVTLRVMLEANSDS-NSHDSACASA-N 0 0 262.313 1.007 20 5 CDBDRN Cc1nn([C@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000295394643 370161479 /nfs/dbraw/zinc/16/14/79/370161479.db2.gz RHYFKWUHHYSPBT-LBPRGKRZSA-N 0 0 296.327 1.156 20 5 CDBDRN O=C1NC[C@@H](COc2cc(F)c(Cl)cc2[N+](=O)[O-])O1 ZINC000295422599 370211353 /nfs/dbraw/zinc/21/13/53/370211353.db2.gz 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C[C@@H](C[N+](=O)[O-])OC(=O)c1c[nH]c(Br)c1 ZINC001348207951 965875281 /nfs/dbraw/zinc/87/52/81/965875281.db2.gz IFMGWSLKUUJNHI-YFKPBYRVSA-N 0 0 277.074 1.599 20 5 CDBDRN C[C@@H](c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001350588532 966703220 /nfs/dbraw/zinc/70/32/20/966703220.db2.gz OXQBJZFHBQMXSZ-BBBLOLIVSA-N 0 0 267.333 1.635 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@H](CO)C2)c(F)c1 ZINC001352021440 967065046 /nfs/dbraw/zinc/06/50/46/967065046.db2.gz DDTASDYTHQKWQH-ZETCQYMHSA-N 0 0 291.229 1.583 20 5 CDBDRN CN(CCNC(=O)CC1(C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC001100245643 967749067 /nfs/dbraw/zinc/74/90/67/967749067.db2.gz YDMQSCQWXUFXRE-UHFFFAOYSA-N 0 0 292.339 1.732 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1)CN(c1nnnn1C1CC1)C2 ZINC001354305972 968625504 /nfs/dbraw/zinc/62/55/04/968625504.db2.gz OSDBJKSQENEAMW-UHFFFAOYSA-N 0 0 272.268 1.436 20 5 CDBDRN O=C([C@@H]1C[C@@H]1F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001354772077 968881422 /nfs/dbraw/zinc/88/14/22/968881422.db2.gz 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COc1cccc(N2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000185511947 270257840 /nfs/dbraw/zinc/25/78/40/270257840.db2.gz BNXPIALEVMKERX-JTQLQIEISA-N 0 0 293.323 1.695 20 5 CDBDRN Cc1cc(NC[C@H]2CC[C@H](C)O2)ncc1[N+](=O)[O-] ZINC000397892599 270352371 /nfs/dbraw/zinc/35/23/71/270352371.db2.gz SHDVJVQAJLJATL-VHSXEESVSA-N 0 0 251.286 1.700 20 5 CDBDRN Cc1nc(NC[C@H]2CC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000397883227 270352915 /nfs/dbraw/zinc/35/29/15/270352915.db2.gz NYNCPOLIMNQIEB-WCBMZHEXSA-N 0 0 251.286 1.700 20 5 CDBDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000398630617 270356705 /nfs/dbraw/zinc/35/67/05/270356705.db2.gz OVKLGQKHPQKQFO-ZYHUDNBSSA-N 0 0 292.335 1.994 20 5 CDBDRN C[C@@H]1C[C@H](CO)CN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000398835875 270362992 /nfs/dbraw/zinc/36/29/92/270362992.db2.gz ZJXLPVKXWWXDAY-BDAKNGLRSA-N 0 0 296.352 1.759 20 5 CDBDRN CN(Cc1cc[nH]n1)C(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000399956260 270375793 /nfs/dbraw/zinc/37/57/93/270375793.db2.gz 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Cc1cc([N+](=O)[O-])cnc1N1CCC([C@H](C)O)CC1 ZINC000225737771 278747426 /nfs/dbraw/zinc/74/74/26/278747426.db2.gz LZMAQFFFCWXNQG-JTQLQIEISA-N 0 0 265.313 1.895 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3n[nH]cc3C2)n1 ZINC000126088823 278865189 /nfs/dbraw/zinc/86/51/89/278865189.db2.gz AHOQOOPJDKAXFT-JTQLQIEISA-N 0 0 273.296 1.991 20 5 CDBDRN CC(C)C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356203781 279039157 /nfs/dbraw/zinc/03/91/57/279039157.db2.gz MEDJJGACTVJTCL-SNVBAGLBSA-N 0 0 296.327 1.215 20 5 CDBDRN CO[C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055467792 279186352 /nfs/dbraw/zinc/18/63/52/279186352.db2.gz KFSGONGMDGIEKS-IUCAKERBSA-N 0 0 252.270 1.807 20 5 CDBDRN CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440968504 279236232 /nfs/dbraw/zinc/23/62/32/279236232.db2.gz WBRBMFLSFIRTHB-LLVKDONJSA-N 0 0 297.742 1.959 20 5 CDBDRN Nc1nc(N2CCC[C@H]2C(F)F)ncc1[N+](=O)[O-] ZINC000343922482 279555927 /nfs/dbraw/zinc/55/59/27/279555927.db2.gz 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Cc1cc(N2CCn3cnnc3[C@H]2C)ncc1[N+](=O)[O-] ZINC000276848997 280582489 /nfs/dbraw/zinc/58/24/89/280582489.db2.gz XNNKIBWRJMLDPH-SECBINFHSA-N 0 0 274.284 1.471 20 5 CDBDRN NC(=O)c1ccc(NC[C@H](O)C2CCC2)c([N+](=O)[O-])c1 ZINC000315949843 280627587 /nfs/dbraw/zinc/62/75/87/280627587.db2.gz IJEBPKFXOPIJOL-LBPRGKRZSA-N 0 0 279.296 1.267 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCNC[C@](C)(F)C1 ZINC000295233358 280657932 /nfs/dbraw/zinc/65/79/32/280657932.db2.gz OGASEIGBACHWGY-AWEZNQCLSA-N 0 0 295.314 1.677 20 5 CDBDRN CC[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000514907914 280857611 /nfs/dbraw/zinc/85/76/11/280857611.db2.gz PBDOKAIOVBWGJO-LDYMZIIASA-N 0 0 292.291 1.894 20 5 CDBDRN COC(=O)[C@@H](C)CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518288331 281017158 /nfs/dbraw/zinc/01/71/58/281017158.db2.gz FWJKZWJGKAMKII-UWVGGRQHSA-N 0 0 294.307 1.624 20 5 CDBDRN C[C@@H]1CN(CCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522275311 281095926 /nfs/dbraw/zinc/09/59/26/281095926.db2.gz DLPNHDSBPXALTG-LLVKDONJSA-N 0 0 265.313 1.727 20 5 CDBDRN CC[C@H]1CO[C@H](C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290541769 288335848 /nfs/dbraw/zinc/33/58/48/288335848.db2.gz FGEPMGMIXWOHQD-BDAKNGLRSA-N 0 0 294.311 1.092 20 5 CDBDRN Cc1nn(C)c(N2CC(OCC(F)F)C2)c1[N+](=O)[O-] ZINC000530956279 281641777 /nfs/dbraw/zinc/64/17/77/281641777.db2.gz GQFOJPSVALVUBL-UHFFFAOYSA-N 0 0 276.243 1.107 20 5 CDBDRN Cc1ccc(NC(=O)c2ccc3nnnn3c2)cc1[N+](=O)[O-] ZINC000531554976 281794477 /nfs/dbraw/zinc/79/44/77/281794477.db2.gz PKWSGKHRWJMQGC-UHFFFAOYSA-N 0 0 298.262 1.593 20 5 CDBDRN Cc1n[nH]c([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000413544809 282002122 /nfs/dbraw/zinc/00/21/22/282002122.db2.gz BZNUDPDGOLLECI-JTQLQIEISA-N 0 0 288.311 1.719 20 5 CDBDRN COc1ncc(Cn2ccc(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000532766363 282035892 /nfs/dbraw/zinc/03/58/92/282035892.db2.gz FCKNKWUFJKNAAC-UHFFFAOYSA-N 0 0 295.682 1.862 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](O)[C@@H]1C ZINC000295063529 288677000 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O=C(/C=C/c1cccnc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000156979886 289275444 /nfs/dbraw/zinc/27/54/44/289275444.db2.gz DKEIVYZXTFOHAK-ONEGZZNKSA-N 0 0 287.279 1.016 20 5 CDBDRN CN(Cc1cccc(F)c1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159029062 289323646 /nfs/dbraw/zinc/32/36/46/289323646.db2.gz RNAOSHLCKLJING-UHFFFAOYSA-N 0 0 278.243 1.729 20 5 CDBDRN COC[C@H](O)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255130896 289358069 /nfs/dbraw/zinc/35/80/69/289358069.db2.gz KWPJAJVLUVYNJO-LLPBQKLSSA-N 0 0 294.307 1.122 20 5 CDBDRN CC(C)[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000311864408 289426323 /nfs/dbraw/zinc/42/63/23/289426323.db2.gz VSDCTMXDSNVBGR-LBPRGKRZSA-N 0 0 269.301 1.070 20 5 CDBDRN O=C(NCCC1=CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548079821 289839764 /nfs/dbraw/zinc/83/97/64/289839764.db2.gz NXBCGHNYVDATAK-UHFFFAOYSA-N 0 0 264.285 1.938 20 5 CDBDRN Nc1nccc(C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000548385423 289877129 /nfs/dbraw/zinc/87/71/29/289877129.db2.gz WTEVWHJEQGAQLL-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/98/06/97/738980697.db2.gz RUHXRSHDGCDGIV-UHFFFAOYSA-N 0 0 294.292 1.694 20 5 CDBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCOCC1 ZINC000079020652 737715313 /nfs/dbraw/zinc/71/53/13/737715313.db2.gz LEEMHFDHNBDNAH-UHFFFAOYSA-N 0 0 293.323 1.570 20 5 CDBDRN CCCONC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000844082889 737720335 /nfs/dbraw/zinc/72/03/35/737720335.db2.gz IWCONBIUEUEIKK-UHFFFAOYSA-N 0 0 264.241 1.543 20 5 CDBDRN CC(C)(COC(=O)c1ccc2nsnc2c1)[N+](=O)[O-] ZINC000851126644 737734684 /nfs/dbraw/zinc/73/46/84/737734684.db2.gz FVFJAGJLEWGVRD-UHFFFAOYSA-N 0 0 281.293 1.903 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076299 737774809 /nfs/dbraw/zinc/77/48/09/737774809.db2.gz SVXDUVAURXEAGH-IUCAKERBSA-N 0 0 281.287 1.556 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C(F)(F)F)C1 ZINC000807917834 737786336 /nfs/dbraw/zinc/78/63/36/737786336.db2.gz PYAAJDPJLOMLGN-UHFFFAOYSA-N 0 0 289.213 1.811 20 5 CDBDRN NC(=NOCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000853697791 737786590 /nfs/dbraw/zinc/78/65/90/737786590.db2.gz KILXBZQDEVOWRB-NSHDSACASA-N 0 0 283.259 1.911 20 5 CDBDRN C[C@@H]1COC[C@H]1OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000853193075 737809929 /nfs/dbraw/zinc/80/99/29/737809929.db2.gz PARAPKGGOUDDLV-JMCQJSRRSA-N 0 0 295.247 1.515 20 5 CDBDRN O=C(CCC1CCC1)OCCn1cc([N+](=O)[O-])cn1 ZINC000176715178 737838899 /nfs/dbraw/zinc/83/88/99/737838899.db2.gz LMJJORZHUQKAHN-UHFFFAOYSA-N 0 0 267.285 1.915 20 5 CDBDRN CON1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000853672156 737855130 /nfs/dbraw/zinc/85/51/30/737855130.db2.gz YDSVIUQRXZDVNY-UHFFFAOYSA-N 0 0 271.704 1.932 20 5 CDBDRN O=[N+]([O-])c1c(F)cccc1N1CC[C@@](F)(CO)C1 ZINC000801683188 737889110 /nfs/dbraw/zinc/88/91/10/737889110.db2.gz OKSFYSJMOUQJAO-NSHDSACASA-N 0 0 258.224 1.645 20 5 CDBDRN C[C@@H]1CCC(=O)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000885093969 737986264 /nfs/dbraw/zinc/98/62/64/737986264.db2.gz WYXKEYDFDOLDSM-SECBINFHSA-N 0 0 294.311 1.106 20 5 CDBDRN O=C(NC1(CCO)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000854633366 737989021 /nfs/dbraw/zinc/98/90/21/737989021.db2.gz KFWDUAKSGPOZGL-UHFFFAOYSA-N 0 0 268.244 1.379 20 5 CDBDRN CC(=O)N[C@@H]1[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001060373340 738088128 /nfs/dbraw/zinc/08/81/28/738088128.db2.gz UDLVXUOBQRERCY-IWIIMEHWSA-N 0 0 261.281 1.166 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C[S@@](=O)Cc1cc[nH]n1 ZINC000887373966 738117389 /nfs/dbraw/zinc/11/73/89/738117389.db2.gz ACZNCZPMXPURMO-HXUWFJFHSA-N 0 0 295.320 1.775 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc[n+]([O-])c1 ZINC000046868923 738136798 /nfs/dbraw/zinc/13/67/98/738136798.db2.gz PZRMLXNMKUXEBX-UHFFFAOYSA-N 0 0 259.221 1.481 20 5 CDBDRN O=[N+]([O-])c1c(N2CCCn3nncc3C2)nc2ccccn21 ZINC000884629201 738161026 /nfs/dbraw/zinc/16/10/26/738161026.db2.gz CKBPYRREICERMM-UHFFFAOYSA-N 0 0 299.294 1.244 20 5 CDBDRN COCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929102004 738179679 /nfs/dbraw/zinc/17/96/79/738179679.db2.gz HICFPNLXTRELGB-NEPJUHHUSA-N 0 0 264.281 1.461 20 5 CDBDRN C[C@H](COC(=O)c1cnc2n1[C@@H](C)CCC2)[N+](=O)[O-] ZINC000845574732 738180920 /nfs/dbraw/zinc/18/09/20/738180920.db2.gz CTFSSROWLPBWAN-DTWKUNHWSA-N 0 0 267.285 1.602 20 5 CDBDRN O=[N+]([O-])c1ccc(NC(=S)NCCCCO)cc1 ZINC000782397918 738184076 /nfs/dbraw/zinc/18/40/76/738184076.db2.gz UEXOSJKOVFQDQZ-UHFFFAOYSA-N 0 0 269.326 1.654 20 5 CDBDRN CC(C)OC(=O)[C@H](C)N(C)Cn1nccc1[N+](=O)[O-] ZINC000121511293 738199933 /nfs/dbraw/zinc/19/99/33/738199933.db2.gz UZGYOZXIZYTDCH-VIFPVBQESA-N 0 0 270.289 1.021 20 5 CDBDRN Nc1ccc(C(=O)OC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000816416433 738263278 /nfs/dbraw/zinc/26/32/78/738263278.db2.gz RQIOPDSIZNCJQZ-SSDOTTSWSA-N 0 0 272.207 1.989 20 5 CDBDRN CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780547214 738285075 /nfs/dbraw/zinc/28/50/75/738285075.db2.gz JRMRAUMOPIFCJD-CYBMUJFWSA-N 0 0 295.339 1.616 20 5 CDBDRN C[C@@]1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1=O ZINC000810095825 738304832 /nfs/dbraw/zinc/30/48/32/738304832.db2.gz ATBXIVGXZPAYSF-GFCCVEGCSA-N 0 0 295.251 1.298 20 5 CDBDRN O=C1OCCN1[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000852432918 738305095 /nfs/dbraw/zinc/30/50/95/738305095.db2.gz QONRWPVVCSDFRZ-SNVBAGLBSA-N 0 0 297.336 1.683 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])C(F)(F)c1nccs1 ZINC000860921284 738375573 /nfs/dbraw/zinc/37/55/73/738375573.db2.gz SWNQTNFHPAYSME-UHFFFAOYSA-N 0 0 266.225 1.445 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC1(CO)CC1 ZINC000843900971 738391149 /nfs/dbraw/zinc/39/11/49/738391149.db2.gz GRQPERBOERETDA-UHFFFAOYSA-N 0 0 296.298 1.935 20 5 CDBDRN CC(C)C(=O)N(C)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000882156176 738401370 /nfs/dbraw/zinc/40/13/70/738401370.db2.gz NZIHUVCFZQPVCK-UHFFFAOYSA-N 0 0 266.301 1.741 20 5 CDBDRN Cc1ccncc1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000786489429 738990963 /nfs/dbraw/zinc/99/09/63/738990963.db2.gz JXORNCHUNRLSDX-UHFFFAOYSA-N 0 0 276.252 1.352 20 5 CDBDRN C[C@@H](OCc1ccc(F)cc1)C(=O)OCCC[N+](=O)[O-] ZINC000860918829 738998820 /nfs/dbraw/zinc/99/88/20/738998820.db2.gz PJJPTSQDVIMIAX-SNVBAGLBSA-N 0 0 285.271 1.941 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H](C2CCOCC2)C1 ZINC000886158808 739006049 /nfs/dbraw/zinc/00/60/49/739006049.db2.gz HDASWSPILIHTGL-JHJVBQTASA-N 0 0 282.340 1.317 20 5 CDBDRN CC(C)(COC(=O)c1ccc(C(N)=O)s1)[N+](=O)[O-] ZINC000851126077 739022463 /nfs/dbraw/zinc/02/24/63/739022463.db2.gz LRQFMRZGOSBKHP-UHFFFAOYSA-N 0 0 272.282 1.059 20 5 CDBDRN CC(C)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000862779582 739039262 /nfs/dbraw/zinc/03/92/62/739039262.db2.gz ZKQAHVFHLKHAOW-VIFPVBQESA-N 0 0 296.327 1.099 20 5 CDBDRN CCC(=O)N1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001057076003 739039667 /nfs/dbraw/zinc/03/96/67/739039667.db2.gz NDMJTIKLPVVJBB-UHFFFAOYSA-N 0 0 294.311 1.144 20 5 CDBDRN CSC[C@@H](CCO)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804497395 739041656 /nfs/dbraw/zinc/04/16/56/739041656.db2.gz ATYAGMYFDZMIQI-SECBINFHSA-N 0 0 271.342 1.703 20 5 CDBDRN CC(C)C[C@@H](O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000230250279 739046141 /nfs/dbraw/zinc/04/61/41/739046141.db2.gz RXIKVOMGQCPPMD-SNVBAGLBSA-N 0 0 266.297 1.732 20 5 CDBDRN COC[C@@H]1CCCN1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000860221529 739064512 /nfs/dbraw/zinc/06/45/12/739064512.db2.gz NFDRXSWJXIRBCA-LBPRGKRZSA-N 0 0 294.311 1.742 20 5 CDBDRN COc1ccc(CC(=O)O[C@@H](C)C[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814045189 739070838 /nfs/dbraw/zinc/07/08/38/739070838.db2.gz YMXYHRPICOMAKX-QMMMGPOBSA-N 0 0 298.251 1.354 20 5 CDBDRN CO[C@H]1C[C@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000861304712 739085945 /nfs/dbraw/zinc/08/59/45/739085945.db2.gz KMMFKVRWZANBHW-HAQNSBGRSA-N 0 0 265.265 1.858 20 5 CDBDRN CCc1nc(CNC(=O)Nc2ccncc2[N+](=O)[O-])co1 ZINC000836484116 739109346 /nfs/dbraw/zinc/10/93/46/739109346.db2.gz IDSSOUAMHSOJNA-UHFFFAOYSA-N 0 0 291.267 1.284 20 5 CDBDRN COc1cnc(C(=O)Oc2cccc([N+](=O)[O-])c2)nc1 ZINC000814813913 739109699 /nfs/dbraw/zinc/10/96/99/739109699.db2.gz NZHKVTNBHKTRLY-UHFFFAOYSA-N 0 0 275.220 1.613 20 5 CDBDRN CC[NH+](CC)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819910143 739156832 /nfs/dbraw/zinc/15/68/32/739156832.db2.gz OGECSJSTHLRCMS-UHFFFAOYSA-N 0 0 266.301 1.457 20 5 CDBDRN CCn1ncnc1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000801231998 739167755 /nfs/dbraw/zinc/16/77/55/739167755.db2.gz LRINBBAAZDOAET-UHFFFAOYSA-N 0 0 294.242 1.702 20 5 CDBDRN Cc1cnc(NC(=O)CCC(C)(C)[N+](=O)[O-])nc1 ZINC000839300993 739212188 /nfs/dbraw/zinc/21/21/88/739212188.db2.gz FXOYKAMLXFAMIO-UHFFFAOYSA-N 0 0 252.274 1.559 20 5 CDBDRN O=C([O-])CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001610769080 1165435699 /nfs/dbraw/zinc/43/56/99/1165435699.db2.gz HMQCGSZQDCZTLM-LBPRGKRZSA-N 0 0 282.296 1.473 20 5 CDBDRN CC[C@]1(C(=O)Oc2cccc([N+](=O)[O-])c2C)CCNC1=O ZINC000875192462 1165709569 /nfs/dbraw/zinc/70/95/69/1165709569.db2.gz VIJGJLIRVJQUQD-AWEZNQCLSA-N 0 0 292.291 1.725 20 5 CDBDRN CCn1cc(CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])cn1 ZINC000825829495 1165769010 /nfs/dbraw/zinc/76/90/10/1165769010.db2.gz ALLJDVKOXWGXSE-UHFFFAOYSA-N 0 0 282.344 1.697 20 5 CDBDRN Nc1cc(N2CCCC2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC001174476997 913186704 /nfs/dbraw/zinc/18/67/04/913186704.db2.gz DVDSFCLGEXLGGT-UHFFFAOYSA-N 0 0 273.296 1.963 20 5 CDBDRN CCN(CCn1cccn1)c1cc(OC)c([N+](=O)[O-])cn1 ZINC001167058887 894093826 /nfs/dbraw/zinc/09/38/26/894093826.db2.gz CSXLUMYMRITHJY-UHFFFAOYSA-N 0 0 291.311 1.721 20 5 CDBDRN O=C1N=CNC(=O)C1Nc1ccc(C=C[N+](=O)[O-])cc1 ZINC001175901335 913845679 /nfs/dbraw/zinc/84/56/79/913845679.db2.gz OIZNPWGHJLMPRQ-AATRIKPKSA-N 0 0 274.236 1.879 20 5 CDBDRN COc1cc(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001167075923 894204798 /nfs/dbraw/zinc/20/47/98/894204798.db2.gz KXNAFHAVUZWKNW-CDJYRKNRSA-N 0 0 291.307 1.612 20 5 CDBDRN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000120557180 894369447 /nfs/dbraw/zinc/36/94/47/894369447.db2.gz VLRFOXRYSFOSLY-SNVBAGLBSA-N 0 0 267.237 1.703 20 5 CDBDRN CCN(CC(C)(C)O)c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001167160544 894779485 /nfs/dbraw/zinc/77/94/85/894779485.db2.gz YAAOFHZJYSJBTD-UHFFFAOYSA-N 0 0 283.328 1.904 20 5 CDBDRN O=[N+]([O-])c1cnc(Cl)nc1N1CCc2nccn2CC1 ZINC001167178358 894814366 /nfs/dbraw/zinc/81/43/66/894814366.db2.gz VVLGRBHEGUKASK-UHFFFAOYSA-N 0 0 294.702 1.297 20 5 CDBDRN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2OCC[C@@H]2C1 ZINC001167217820 894887880 /nfs/dbraw/zinc/88/78/80/894887880.db2.gz USTPWQZUAHVACU-PSASIEDQSA-N 0 0 299.714 1.497 20 5 CDBDRN Cc1c(CC(=O)OCC2COC2)cccc1[N+](=O)[O-] ZINC001346720616 895076268 /nfs/dbraw/zinc/07/62/68/895076268.db2.gz VSYDFMSDVKOOKU-UHFFFAOYSA-N 0 0 265.265 1.635 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1Nc1cn[nH]c(=O)c1 ZINC001210445068 895256727 /nfs/dbraw/zinc/25/67/27/895256727.db2.gz WWIHEKIOHYBRNN-UHFFFAOYSA-N 0 0 262.225 1.843 20 5 CDBDRN CC(C)[C@@](C)(Nc1ccc(N(C)C)cc1[N+](=O)[O-])C(N)=O ZINC001167418482 895608795 /nfs/dbraw/zinc/60/87/95/895608795.db2.gz FENIQLJZSLUJRW-CQSZACIVSA-N 0 0 294.355 1.973 20 5 CDBDRN COc1ccc(-n2nnc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC001176362440 914086660 /nfs/dbraw/zinc/08/66/60/914086660.db2.gz CQKJLXOMJIZIKG-UHFFFAOYSA-N 0 0 285.263 1.920 20 5 CDBDRN Cc1cc(OC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000177974754 898332648 /nfs/dbraw/zinc/33/26/48/898332648.db2.gz KDBPMCNMRMNTJM-UHFFFAOYSA-N 0 0 279.227 1.844 20 5 CDBDRN O=[N+]([O-])c1cc(F)cnc1OC1CCC(O)CC1 ZINC001218364566 898698683 /nfs/dbraw/zinc/69/86/83/898698683.db2.gz JHZXQPJKXMDPQH-UHFFFAOYSA-N 0 0 256.233 1.811 20 5 CDBDRN C[C@@H]1COC[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000699810812 914293034 /nfs/dbraw/zinc/29/30/34/914293034.db2.gz VOOKJVBSRYYYRC-RQJHMYQMSA-N 0 0 268.298 1.751 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1NCc1ccc(N)nc1C ZINC001167782614 900543116 /nfs/dbraw/zinc/54/31/16/900543116.db2.gz WFOPMACRNNAYKQ-UHFFFAOYSA-N 0 0 289.295 1.896 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCc2ccc(N)nc2C)n1 ZINC001167782704 900547199 /nfs/dbraw/zinc/54/71/99/900547199.db2.gz YHHPYHNJTHYUQO-UHFFFAOYSA-N 0 0 289.295 1.896 20 5 CDBDRN Cc1ccnc(N2CC(O)(C(C)C)C2)c1[N+](=O)[O-] ZINC000089666781 914474361 /nfs/dbraw/zinc/47/43/61/914474361.db2.gz WYAYKZVCFWNOBB-UHFFFAOYSA-N 0 0 251.286 1.505 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(O)(C(C)C)C2)c1 ZINC000089663670 914474399 /nfs/dbraw/zinc/47/43/99/914474399.db2.gz HWOUEDWVXZQEMV-UHFFFAOYSA-N 0 0 278.308 1.746 20 5 CDBDRN Cc1ccc(COC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC001223221716 901043342 /nfs/dbraw/zinc/04/33/42/901043342.db2.gz KZGKEDNDHPDJCM-UHFFFAOYSA-N 0 0 271.294 1.217 20 5 CDBDRN CCOC(=O)C(F)(F)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001167852123 901389578 /nfs/dbraw/zinc/38/95/78/901389578.db2.gz SLSHKWJVJGMDGV-UHFFFAOYSA-N 0 0 289.238 1.909 20 5 CDBDRN COC[C@H](C)OCc1cccc(C(=O)OC)c1[N+](=O)[O-] ZINC001223665717 901834385 /nfs/dbraw/zinc/83/43/85/901834385.db2.gz WFVVMESPOPBKKU-VIFPVBQESA-N 0 0 283.280 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CC(C)O[C@@H]1C[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1(C)C ZINC000596218265 343269423 /nfs/dbraw/zinc/26/94/23/343269423.db2.gz ITUVFVPWOOWYCK-WDEREUQCSA-N 0 0 294.355 1.998 20 5 CDBDRN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[C@H]1O ZINC000596223577 343271234 /nfs/dbraw/zinc/27/12/34/343271234.db2.gz SZGWJTJDTZPJNX-GFCCVEGCSA-N 0 0 293.323 1.291 20 5 CDBDRN COc1ccc(OC[C@H](O)COC(C)C)c([N+](=O)[O-])c1 ZINC000150946688 362150044 /nfs/dbraw/zinc/15/00/44/362150044.db2.gz OVIIRCOEGVLMJO-SNVBAGLBSA-N 0 0 285.296 1.768 20 5 CDBDRN O=c1[nH]ccc(NCc2nnc(C3CC3)[nH]2)c1[N+](=O)[O-] ZINC000596251070 343274464 /nfs/dbraw/zinc/27/44/64/343274464.db2.gz YXWBPPDMAQPPIE-UHFFFAOYSA-N 0 0 276.256 1.303 20 5 CDBDRN O=[N+]([O-])c1cc(N[C@@H]2COC[C@H]2O)ccc1C(F)(F)F ZINC000596257117 343276380 /nfs/dbraw/zinc/27/63/80/343276380.db2.gz IJXIFYWUVLMKMB-PSASIEDQSA-N 0 0 292.213 1.785 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1COCCO1 ZINC000596265404 343279826 /nfs/dbraw/zinc/27/98/26/343279826.db2.gz 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O=[N+]([O-])c1cncc(Br)c1N[C@H]1C[C@H](O)C1 ZINC000596556468 343342328 /nfs/dbraw/zinc/34/23/28/343342328.db2.gz RCBUNZGGBXAAJP-IZLXSQMJSA-N 0 0 288.101 1.109 20 5 CDBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@]1(C)CO ZINC000596540495 343346018 /nfs/dbraw/zinc/34/60/18/343346018.db2.gz FXGDZXKHOKWGLL-JOYOIKCWSA-N 0 0 251.286 1.445 20 5 CDBDRN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000596546085 343347940 /nfs/dbraw/zinc/34/79/40/343347940.db2.gz XACGLXNNUSHQCD-UFBFGSQYSA-N 0 0 296.352 1.759 20 5 CDBDRN Cc1nc([N+](=O)[O-])c(-c2noc(CCCF)n2)n1C ZINC000596592934 343350578 /nfs/dbraw/zinc/35/05/78/343350578.db2.gz KGXUESQJLISGGK-UHFFFAOYSA-N 0 0 269.236 1.589 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1SCCN1CCOCC1 ZINC000092584546 342418039 /nfs/dbraw/zinc/41/80/39/342418039.db2.gz FIWILXBTFJNNHJ-UHFFFAOYSA-N 0 0 283.353 1.723 20 5 CDBDRN CCc1nn(C)c(N[C@@H](CCO)CSC)c1[N+](=O)[O-] ZINC000092830200 342419478 /nfs/dbraw/zinc/41/94/78/342419478.db2.gz HLWSIUWIRXNXJF-QMMMGPOBSA-N 0 0 288.373 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CC1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598444266 343799991 /nfs/dbraw/zinc/79/99/91/343799991.db2.gz NGZUVXREGOMJMJ-YOGCLGLASA-N 0 0 292.339 1.971 20 5 CDBDRN O=C(NCCOCCF)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598560158 343825511 /nfs/dbraw/zinc/82/55/11/343825511.db2.gz KQRPAGSWWCCZBE-UHFFFAOYSA-N 0 0 274.223 1.450 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000598460052 343805071 /nfs/dbraw/zinc/80/50/71/343805071.db2.gz VRWPRSXIZAXDCW-SKDRFNHKSA-N 0 0 265.269 1.084 20 5 CDBDRN C[C@@H]1C[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589202 343836927 /nfs/dbraw/zinc/83/69/27/343836927.db2.gz FMMRJUFRZMFDGR-NXEZZACHSA-N 0 0 293.327 1.289 20 5 CDBDRN COC(=O)c1ccnc(NC[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000598590534 343837735 /nfs/dbraw/zinc/83/77/35/343837735.db2.gz NYPANMUMSDTSJL-JGVFFNPUSA-N 0 0 265.269 1.844 20 5 CDBDRN COC(=O)c1ccnc(NCCOC(C)C)c1[N+](=O)[O-] ZINC000598617174 343843446 /nfs/dbraw/zinc/84/34/46/343843446.db2.gz 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CC(=O)NC[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000265505053 362436945 /nfs/dbraw/zinc/43/69/45/362436945.db2.gz YMVDMRUKHRSBHO-NSHDSACASA-N 0 0 297.286 1.075 20 5 CDBDRN CCc1cnc(CNc2ncc([N+](=O)[O-])c(N)n2)o1 ZINC000274682894 362447599 /nfs/dbraw/zinc/44/75/99/362447599.db2.gz OEKUKMOEHZQFBZ-UHFFFAOYSA-N 0 0 264.245 1.130 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CSC[C@H]1C ZINC000602960078 344667292 /nfs/dbraw/zinc/66/72/92/344667292.db2.gz ITHUTNCGHTZEIF-RKDXNWHRSA-N 0 0 296.352 1.593 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)NCCC1CC1 ZINC000602956797 344672408 /nfs/dbraw/zinc/67/24/08/344672408.db2.gz KORIRCKKCCMUCH-UHFFFAOYSA-N 0 0 264.285 1.642 20 5 CDBDRN O=[N+]([O-])c1cnn(C[C@@H]2CN(c3ccccc3)CCO2)c1 ZINC000603316472 344767998 /nfs/dbraw/zinc/76/79/98/344767998.db2.gz YNFURZYHLXCXSB-AWEZNQCLSA-N 0 0 288.307 1.697 20 5 CDBDRN Cc1nn(CC[C@@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000603329612 344776784 /nfs/dbraw/zinc/77/67/84/344776784.db2.gz XOQSXCPWVMNLCZ-SSDOTTSWSA-N 0 0 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C[C@@H](C(=O)NCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000581660285 364014909 /nfs/dbraw/zinc/01/49/09/364014909.db2.gz PORLFVVXEUTAPC-SECBINFHSA-N 0 0 289.295 1.143 20 5 CDBDRN COC[C@@H](CCO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000228768009 363983630 /nfs/dbraw/zinc/98/36/30/363983630.db2.gz FBZFEUADZYNUON-SNVBAGLBSA-N 0 0 254.286 1.713 20 5 CDBDRN CC[N@H+](CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000582183971 364079316 /nfs/dbraw/zinc/07/93/16/364079316.db2.gz HDJWCHDQZIVXNM-UHFFFAOYSA-N 0 0 296.327 1.830 20 5 CDBDRN CC[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000456232234 364047029 /nfs/dbraw/zinc/04/70/29/364047029.db2.gz TZQJFYJRVUSYGE-GHMZBOCLSA-N 0 0 295.339 1.307 20 5 CDBDRN CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)O ZINC000456242371 364052282 /nfs/dbraw/zinc/05/22/82/364052282.db2.gz YCFMBPFKFBRCAC-XVKPBYJWSA-N 0 0 292.295 1.360 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccncc2)no1 ZINC000074454739 364139828 /nfs/dbraw/zinc/13/98/28/364139828.db2.gz 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CCC(=O)[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000583370325 325160933 /nfs/dbraw/zinc/16/09/33/325160933.db2.gz KFWXAHOXSACNBI-SECBINFHSA-N 0 0 280.284 1.292 20 5 CDBDRN CCn1ncnc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583641401 325214955 /nfs/dbraw/zinc/21/49/55/325214955.db2.gz OSHSFIXZHGWJPP-GFCCVEGCSA-N 0 0 287.323 1.983 20 5 CDBDRN Nc1cc(NCCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000169115070 1159276524 /nfs/dbraw/zinc/27/65/24/1159276524.db2.gz JWQFRCYOGSMRAM-UHFFFAOYSA-N 0 0 259.269 1.622 20 5 CDBDRN COCC(COC)Oc1cccc(C)c1[N+](=O)[O-] ZINC001225634070 1160033887 /nfs/dbraw/zinc/03/38/87/1160033887.db2.gz ZIASRJPJNCYFJR-UHFFFAOYSA-N 0 0 255.270 1.943 20 5 CDBDRN CCCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132506272 482460580 /nfs/dbraw/zinc/46/05/80/482460580.db2.gz MFKRUZVNIOGEJS-UHFFFAOYSA-N 0 0 261.075 1.929 20 5 CDBDRN O=C(NC[C@H]1CC12CC2)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000420128866 482832323 /nfs/dbraw/zinc/83/23/23/482832323.db2.gz QDPDGVZSWCVBQY-SSDOTTSWSA-N 0 0 263.253 1.225 20 5 CDBDRN CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183372299 519975076 /nfs/dbraw/zinc/97/50/76/519975076.db2.gz UVKJQHXVMKEURP-UHFFFAOYSA-N 0 0 272.326 1.467 20 5 CDBDRN C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657682 533945384 /nfs/dbraw/zinc/94/53/84/533945384.db2.gz IUIVKPJGXWBSIO-GWCFXTLKSA-N 0 0 266.297 1.349 20 5 CDBDRN C[C@H](CF)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000288320397 534007073 /nfs/dbraw/zinc/00/70/73/534007073.db2.gz USVFUHKBDOTYOF-SSDOTTSWSA-N 0 0 276.289 1.768 20 5 CDBDRN COc1nc(C)c(NC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC001169456487 1162007854 /nfs/dbraw/zinc/00/78/54/1162007854.db2.gz SFDROTFOBGQRKY-QMMMGPOBSA-N 0 0 295.217 1.642 20 5 CDBDRN COc1ccc(NC(=O)N(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000291523959 534098005 /nfs/dbraw/zinc/09/80/05/534098005.db2.gz QEEGYXXVOCIDIL-QMMMGPOBSA-N 0 0 283.284 1.448 20 5 CDBDRN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ncon2)n1 ZINC001213073432 1162027027 /nfs/dbraw/zinc/02/70/27/1162027027.db2.gz 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CC[C@@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000058846577 522381613 /nfs/dbraw/zinc/38/16/13/522381613.db2.gz XUXVNRUYXIMLHW-SKDRFNHKSA-N 0 0 294.307 1.912 20 5 CDBDRN CN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000337574894 522533393 /nfs/dbraw/zinc/53/33/93/522533393.db2.gz HFXSMLXBKCFNLO-UHFFFAOYSA-N 0 0 297.311 1.347 20 5 CDBDRN CCc1nn(C)c(NC[C@@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000234177418 522670341 /nfs/dbraw/zinc/67/03/41/522670341.db2.gz GDEBGOQQUDEYFK-BDAKNGLRSA-N 0 0 268.317 1.464 20 5 CDBDRN COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000188338870 522864259 /nfs/dbraw/zinc/86/42/59/522864259.db2.gz ALGFBJDIOVHUBH-ZWNOBZJWSA-N 0 0 294.307 1.471 20 5 CDBDRN CN(CCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111423092 523002469 /nfs/dbraw/zinc/00/24/69/523002469.db2.gz RLNOOTSHONGBMU-UHFFFAOYSA-N 0 0 289.295 1.955 20 5 CDBDRN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000183383564 523041017 /nfs/dbraw/zinc/04/10/17/523041017.db2.gz 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/nfs/dbraw/zinc/64/18/07/357641807.db2.gz ILPFMZLEPDZRRI-SECBINFHSA-N 0 0 270.235 1.847 20 5 CDBDRN CCc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000360650603 357663906 /nfs/dbraw/zinc/66/39/06/357663906.db2.gz YWTRYEWUYHVLIE-UHFFFAOYSA-N 0 0 290.279 1.849 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000264646212 357637368 /nfs/dbraw/zinc/63/73/68/357637368.db2.gz DIOAQRZSBBHSMW-ZETCQYMHSA-N 0 0 252.274 1.409 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CF ZINC000294267178 198976715 /nfs/dbraw/zinc/97/67/15/198976715.db2.gz YYWJDVWHFJWMQB-LLVKDONJSA-N 0 0 282.271 1.934 20 5 CDBDRN O=C(N[C@H]1CCCC[C@H]1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165720365 357772378 /nfs/dbraw/zinc/77/23/78/357772378.db2.gz HXWRVBAIUKXURZ-NWDGAFQWSA-N 0 0 282.271 1.767 20 5 CDBDRN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000408074702 357813091 /nfs/dbraw/zinc/81/30/91/357813091.db2.gz XIHGOZDFLNYYEU-VHSXEESVSA-N 0 0 295.314 1.899 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCCNC(=O)C(C)C ZINC000361058329 357789427 /nfs/dbraw/zinc/78/94/27/357789427.db2.gz BPBUXXFNSPIPLS-UHFFFAOYSA-N 0 0 297.359 1.694 20 5 CDBDRN CC(=O)N1CC(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000188275181 357869796 /nfs/dbraw/zinc/86/97/96/357869796.db2.gz HJFADEVCCCKGPT-VIFPVBQESA-N 0 0 291.307 1.250 20 5 CDBDRN CSC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000188285274 357871894 /nfs/dbraw/zinc/87/18/94/357871894.db2.gz QHDLCOOCEXBQMX-NSHDSACASA-N 0 0 268.338 1.681 20 5 CDBDRN COCC[C@@H](CO)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000313326917 357888897 /nfs/dbraw/zinc/88/88/97/357888897.db2.gz ZWUJFAFPPSPUAW-JTQLQIEISA-N 0 0 291.307 1.952 20 5 CDBDRN COc1cc(C(=O)N(C)CC[C@@H](C)O)cc([N+](=O)[O-])c1C ZINC000188720962 357930014 /nfs/dbraw/zinc/93/00/14/357930014.db2.gz BTUCDWGBRBXGKL-SECBINFHSA-N 0 0 296.323 1.755 20 5 CDBDRN Cc1cnc(COC(=O)[C@@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000189257565 357990140 /nfs/dbraw/zinc/99/01/40/357990140.db2.gz UHZKEYCYIDMXNU-SNVBAGLBSA-N 0 0 280.280 1.686 20 5 CDBDRN CCOC(=O)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600986684 358011955 /nfs/dbraw/zinc/01/19/55/358011955.db2.gz MTDKXZBRAITXDQ-UHFFFAOYSA-N 0 0 298.270 1.807 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC(C)(O)CC1 ZINC000126767707 358035149 /nfs/dbraw/zinc/03/51/49/358035149.db2.gz WVJYAWPUPMFZAS-UHFFFAOYSA-N 0 0 251.286 1.649 20 5 CDBDRN Cc1nn(CCC(=O)Nc2cnns2)c(C)c1[N+](=O)[O-] ZINC000189567866 358027104 /nfs/dbraw/zinc/02/71/04/358027104.db2.gz YOTRVOQILQAXPT-UHFFFAOYSA-N 0 0 296.312 1.288 20 5 CDBDRN COc1cc(N[C@@H](C)C[S@](C)=O)c(F)cc1[N+](=O)[O-] ZINC000230101799 358088369 /nfs/dbraw/zinc/08/83/69/358088369.db2.gz BDLDOGNQZBQUST-IIYDVTGLSA-N 0 0 290.316 1.921 20 5 CDBDRN Cc1nn(C)c(N2CCO[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000408136641 358168593 /nfs/dbraw/zinc/16/85/93/358168593.db2.gz GJAGHAWHCBUWJL-JTQLQIEISA-N 0 0 268.317 1.498 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)NCC1CC1 ZINC000192456432 358204048 /nfs/dbraw/zinc/20/40/48/358204048.db2.gz GANPAGVICSBJHV-UHFFFAOYSA-N 0 0 291.307 1.159 20 5 CDBDRN CC(=O)N1CCC(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000192451191 358204078 /nfs/dbraw/zinc/20/40/78/358204078.db2.gz BPEQHNYJEVFYGX-UHFFFAOYSA-N 0 0 284.341 1.722 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCOCC3(CCOCC3)C2)s1 ZINC000192528917 358213244 /nfs/dbraw/zinc/21/32/44/358213244.db2.gz IWFTZSSZKCTSBL-UHFFFAOYSA-N 0 0 299.352 1.685 20 5 CDBDRN CCOC1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000294759114 199170031 /nfs/dbraw/zinc/17/00/31/199170031.db2.gz JBADWBNAJUMJKU-UHFFFAOYSA-N 0 0 296.327 1.046 20 5 CDBDRN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162657 358224305 /nfs/dbraw/zinc/22/43/05/358224305.db2.gz YHFAKRONIPRJQA-VHSXEESVSA-N 0 0 293.323 1.465 20 5 CDBDRN CS[C@@H](CO)[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000192794912 358236750 /nfs/dbraw/zinc/23/67/50/358236750.db2.gz BOBDUWCJRAQHRQ-HQJQHLMTSA-N 0 0 271.342 1.701 20 5 CDBDRN COc1c(C(=O)Nc2ncccn2)cccc1[N+](=O)[O-] ZINC000361501829 358244662 /nfs/dbraw/zinc/24/46/62/358244662.db2.gz SYFDPMHSJJEWKA-UHFFFAOYSA-N 0 0 274.236 1.646 20 5 CDBDRN CSC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCC1 ZINC000193194003 358273571 /nfs/dbraw/zinc/27/35/71/358273571.db2.gz UINSWJZFOFWHSX-UHFFFAOYSA-N 0 0 297.336 1.711 20 5 CDBDRN Cc1cc(Cl)c(C(=O)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000294785027 199182090 /nfs/dbraw/zinc/18/20/90/199182090.db2.gz HBHWFTWEZQPJFM-ZETCQYMHSA-N 0 0 272.688 1.667 20 5 CDBDRN CCO[C@H]1C[C@@H]1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000566658020 358294219 /nfs/dbraw/zinc/29/42/19/358294219.db2.gz BJADMQCCWSKKSB-GWCFXTLKSA-N 0 0 294.307 1.440 20 5 CDBDRN O=C(Cn1cccc([N+](=O)[O-])c1=O)c1c[nH]c2ncccc12 ZINC000341525536 358301471 /nfs/dbraw/zinc/30/14/71/358301471.db2.gz SKKUKRXBVIZDGH-UHFFFAOYSA-N 0 0 298.258 1.516 20 5 CDBDRN CCCCN(CCO)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135354253 358306992 /nfs/dbraw/zinc/30/69/92/358306992.db2.gz YFDCDOZPCKPSBY-UHFFFAOYSA-N 0 0 280.324 1.758 20 5 CDBDRN C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)O1 ZINC000289113101 291144801 /nfs/dbraw/zinc/14/48/01/291144801.db2.gz QHGFALAJIJJNOR-FSPLSTOPSA-N 0 0 270.266 1.090 20 5 CDBDRN CCC[C@@]1(COC)CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000193762518 358321988 /nfs/dbraw/zinc/32/19/88/358321988.db2.gz IOSLBNITGAOAPJ-ZDUSSCGKSA-N 0 0 296.327 1.739 20 5 CDBDRN O=C(CN1CCc2cc([N+](=O)[O-])ccc21)NC1CC1 ZINC000194124553 358345159 /nfs/dbraw/zinc/34/51/59/358345159.db2.gz UFVPIGDWHYQRMJ-UHFFFAOYSA-N 0 0 261.281 1.236 20 5 CDBDRN CC[C@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000264748267 358346344 /nfs/dbraw/zinc/34/63/44/358346344.db2.gz AFDULFQJOYYXGQ-OIBJUYFYSA-N 0 0 280.284 1.950 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C(=O)NCC[C@H]2C)c1 ZINC000194234479 358352642 /nfs/dbraw/zinc/35/26/42/358352642.db2.gz CCBHINVQSZPDOE-BXKDBHETSA-N 0 0 291.307 1.158 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](C)(O)C1 ZINC000234795421 358449651 /nfs/dbraw/zinc/44/96/51/358449651.db2.gz XIHLPJAWQNPHPX-ZDUSSCGKSA-N 0 0 280.280 1.200 20 5 CDBDRN NC(=O)c1ccnn1Cc1ccc([N+](=O)[O-])cc1F ZINC000337941247 358515883 /nfs/dbraw/zinc/51/58/83/358515883.db2.gz IXYLERDXWOITOC-UHFFFAOYSA-N 0 0 264.216 1.078 20 5 CDBDRN CNC(=O)N[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000342021781 283376551 /nfs/dbraw/zinc/37/65/51/283376551.db2.gz MKQCWJKPTPTRIR-VIFPVBQESA-N 0 0 294.311 1.111 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2[C@@H](CO)CC[C@@H]2CO)cc1F ZINC000287475926 358659932 /nfs/dbraw/zinc/65/99/32/358659932.db2.gz SBKCOGRVXHORDI-GHMZBOCLSA-N 0 0 284.287 1.052 20 5 CDBDRN CCn1nc(C)c(CNc2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000567337231 358661784 /nfs/dbraw/zinc/66/17/84/358661784.db2.gz KIVPWGHJCAPVHK-UHFFFAOYSA-N 0 0 290.327 1.560 20 5 CDBDRN CN(Cc1cn(C)nn1)Cc1ccccc1[N+](=O)[O-] ZINC000341582884 358665740 /nfs/dbraw/zinc/66/57/40/358665740.db2.gz IWJSIBPSUGCKDO-UHFFFAOYSA-N 0 0 261.285 1.355 20 5 CDBDRN C[C@@H]1CCC[C@H](C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119422191 358705584 /nfs/dbraw/zinc/70/55/84/358705584.db2.gz NXAOTUXRTWACDJ-DTWKUNHWSA-N 0 0 266.301 1.969 20 5 CDBDRN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccoc1 ZINC000341620451 358698124 /nfs/dbraw/zinc/69/81/24/358698124.db2.gz RVFSHBIVSNNRFD-UHFFFAOYSA-N 0 0 277.280 1.482 20 5 CDBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2=CCCOC2)c1 ZINC000287540625 358745464 /nfs/dbraw/zinc/74/54/64/358745464.db2.gz VBQWFSXCAVJBPT-UHFFFAOYSA-N 0 0 298.320 1.220 20 5 CDBDRN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000172543151 358746665 /nfs/dbraw/zinc/74/66/65/358746665.db2.gz PLAFFHCCBVASKU-JTQLQIEISA-N 0 0 297.698 1.209 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)cc1F ZINC000436533627 358759191 /nfs/dbraw/zinc/75/91/91/358759191.db2.gz GUEBGILIUXNIJS-UHFFFAOYSA-N 0 0 280.215 1.425 20 5 CDBDRN O=C(NCCOCCF)c1ccccc1[N+](=O)[O-] ZINC000598558363 358715709 /nfs/dbraw/zinc/71/57/09/358715709.db2.gz ALRONQHCCNKQAP-UHFFFAOYSA-N 0 0 256.233 1.311 20 5 CDBDRN CCn1nccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000598558797 358715719 /nfs/dbraw/zinc/71/57/19/358715719.db2.gz TWUCIGXRFQCMCV-UHFFFAOYSA-N 0 0 288.307 1.670 20 5 CDBDRN Cc1occc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176216571 358741457 /nfs/dbraw/zinc/74/14/57/358741457.db2.gz ROVAQRJDXWUTOS-UHFFFAOYSA-N 0 0 264.285 1.825 20 5 CDBDRN CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264947866 358791073 /nfs/dbraw/zinc/79/10/73/358791073.db2.gz XLOJOEBTFMBBHJ-UHFFFAOYSA-N 0 0 251.286 1.276 20 5 CDBDRN COC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCC1 ZINC000291001825 358803718 /nfs/dbraw/zinc/80/37/18/358803718.db2.gz VEXQXBYOIVONKQ-UHFFFAOYSA-N 0 0 280.284 1.070 20 5 CDBDRN COC(=O)[C@@H](C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000101893314 358864768 /nfs/dbraw/zinc/86/47/68/358864768.db2.gz GDXDVWVSVNFYGP-JARNTUPDSA-N 0 0 292.291 1.533 20 5 CDBDRN CCN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000101581650 358852514 /nfs/dbraw/zinc/85/25/14/358852514.db2.gz LCZQFNOYGZJQCM-UHFFFAOYSA-N 0 0 258.299 1.544 20 5 CDBDRN Cc1cc(NC(=O)c2ccc3nnnn3c2)ccc1[N+](=O)[O-] ZINC000538545014 358875946 /nfs/dbraw/zinc/87/59/46/358875946.db2.gz KCKPOMRAYNFLRX-UHFFFAOYSA-N 0 0 298.262 1.593 20 5 CDBDRN CNc1ccc(C(=O)NC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000538671392 358885782 /nfs/dbraw/zinc/88/57/82/358885782.db2.gz WEYGIBMPNGRDGJ-UHFFFAOYSA-N 0 0 281.312 1.527 20 5 CDBDRN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[S@@]1=O ZINC000450344817 358894678 /nfs/dbraw/zinc/89/46/78/358894678.db2.gz CPYRTCMPYPKHIJ-FHZGZLOMSA-N 0 0 294.336 1.428 20 5 CDBDRN O=C(N[C@@H](CO)C1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000291218930 358898811 /nfs/dbraw/zinc/89/88/11/358898811.db2.gz KUFQMJVVIMNZQE-JTQLQIEISA-N 0 0 284.337 1.937 20 5 CDBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC[NH+](C)CC1 ZINC000179380466 366533370 /nfs/dbraw/zinc/53/33/70/366533370.db2.gz SMQLLUIBYGAGFX-UHFFFAOYSA-N 0 0 293.323 1.467 20 5 CDBDRN COCCONC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000381473795 359049976 /nfs/dbraw/zinc/04/99/76/359049976.db2.gz 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CO[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)C(F)(F)F ZINC000853331589 743161378 /nfs/dbraw/zinc/16/13/78/743161378.db2.gz YJSSMSQMLJNVBV-ZCFIWIBFSA-N 0 0 280.206 1.561 20 5 CDBDRN C[C@H]1SCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000311784484 743161591 /nfs/dbraw/zinc/16/15/91/743161591.db2.gz YXJCSNIIAIYZPD-HQJQHLMTSA-N 0 0 281.337 1.801 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000856266472 743168065 /nfs/dbraw/zinc/16/80/65/743168065.db2.gz FNSPTLSUJOSCIS-PWSUYJOCSA-N 0 0 283.259 1.223 20 5 CDBDRN O=C(Nc1ccccc1OCCF)[C@@H]1CC1[N+](=O)[O-] ZINC000840470544 743190507 /nfs/dbraw/zinc/19/05/07/743190507.db2.gz SWAZQHVZMHWPRM-PSASIEDQSA-N 0 0 268.244 1.639 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)O ZINC000820425144 743223462 /nfs/dbraw/zinc/22/34/62/743223462.db2.gz OFFCUMQTPXYBAC-UHFFFAOYSA-N 0 0 266.297 1.712 20 5 CDBDRN O=C(OCc1cc(C(F)(F)F)on1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842347632 743233137 /nfs/dbraw/zinc/23/31/37/743233137.db2.gz 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CCC[C@](C)(O)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496200 745268864 /nfs/dbraw/zinc/26/88/64/745268864.db2.gz BHQIPTGYAFDBMA-LBPRGKRZSA-N 0 0 267.285 1.667 20 5 CDBDRN [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000843512937 745273483 /nfs/dbraw/zinc/27/34/83/745273483.db2.gz URHMFWCADWHGDG-UHFFFAOYSA-N 0 0 281.312 1.549 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000856269932 745306928 /nfs/dbraw/zinc/30/69/28/745306928.db2.gz FYBGBAQYVHAPFX-OCCSQVGLSA-N 0 0 293.323 1.568 20 5 CDBDRN C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(F)(F)F ZINC000839843187 745317313 /nfs/dbraw/zinc/31/73/13/745317313.db2.gz GOPJZMQMZCQPSD-FSDSQADBSA-N 0 0 254.208 1.356 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000881668465 745318190 /nfs/dbraw/zinc/31/81/90/745318190.db2.gz RCQJOWLQTFAFHT-SSDOTTSWSA-N 0 0 256.237 1.058 20 5 CDBDRN CC1(CS(=O)(=O)Oc2cccnc2[N+](=O)[O-])CCC1 ZINC000881740102 745354977 /nfs/dbraw/zinc/35/49/77/745354977.db2.gz 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LDLXPQINFKOGPE-QMMMGPOBSA-N 0 0 265.269 1.168 20 5 CDBDRN CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596223737 343271237 /nfs/dbraw/zinc/27/12/37/343271237.db2.gz VEKYDACTVCDPDU-ONGXEEELSA-N 0 0 293.323 1.697 20 5 CDBDRN Cc1csc(NCCNc2ncc([N+](=O)[O-])cc2F)n1 ZINC000596262782 343278676 /nfs/dbraw/zinc/27/86/76/343278676.db2.gz CHXNENHAOGIHPG-UHFFFAOYSA-N 0 0 297.315 1.840 20 5 CDBDRN CC(C)(CNc1ccc(N)c([N+](=O)[O-])n1)OCC1CC1 ZINC000596271553 343282038 /nfs/dbraw/zinc/28/20/38/343282038.db2.gz RBVDSZRQHNGFAR-UHFFFAOYSA-N 0 0 280.328 1.611 20 5 CDBDRN CNC(=O)c1ccc(N2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000596489350 343329481 /nfs/dbraw/zinc/32/94/81/343329481.db2.gz SMBOOQZOFLFZJB-MWLCHTKSSA-N 0 0 293.323 1.304 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1c[nH]cn1 ZINC000596306903 343293499 /nfs/dbraw/zinc/29/34/99/343293499.db2.gz TXVNBVRBEMHMCV-UHFFFAOYSA-N 0 0 264.289 1.479 20 5 CDBDRN C[C@@H]1[C@H](CO)CCCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596276204 343295731 /nfs/dbraw/zinc/29/57/31/343295731.db2.gz HODVKZSNWGOTSW-BDAKNGLRSA-N 0 0 266.301 1.169 20 5 CDBDRN O=c1[nH]ccc(NCCCC2(O)CCC2)c1[N+](=O)[O-] ZINC000596277299 343296016 /nfs/dbraw/zinc/29/60/16/343296016.db2.gz JDDNHEYXOCPTQC-UHFFFAOYSA-N 0 0 267.285 1.803 20 5 CDBDRN Cc1noc(CSCC2(CO)COC2)c1[N+](=O)[O-] ZINC000596347083 343299652 /nfs/dbraw/zinc/29/96/52/343299652.db2.gz BQJZUWJFLUQKPP-UHFFFAOYSA-N 0 0 274.298 1.133 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(Nc2ccn(CC(N)=O)n2)c1 ZINC000088718902 342387029 /nfs/dbraw/zinc/38/70/29/342387029.db2.gz CLKYIPOZHCVTGF-UHFFFAOYSA-N 0 0 275.268 1.329 20 5 CDBDRN CC(C)Oc1nc(NC/C=C/CO)ccc1[N+](=O)[O-] ZINC000596422575 343311096 /nfs/dbraw/zinc/31/10/96/343311096.db2.gz FLOOTDXQTXOPLK-ONEGZZNKSA-N 0 0 267.285 1.159 20 5 CDBDRN CN(C[C@@H]1COCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000596458054 343316780 /nfs/dbraw/zinc/31/67/80/343316780.db2.gz RIFRYTUNAVVNDJ-SECBINFHSA-N 0 0 270.260 1.586 20 5 CDBDRN COCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353441136 362172534 /nfs/dbraw/zinc/17/25/34/362172534.db2.gz LRNQCUHRPUAARQ-CYBMUJFWSA-N 0 0 290.323 1.654 20 5 CDBDRN COC[C@@H](OC)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000596633556 343362829 /nfs/dbraw/zinc/36/28/29/343362829.db2.gz KKRDLKKZVIJXTD-GFCCVEGCSA-N 0 0 282.296 1.812 20 5 CDBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(=O)[O-] ZINC000596654841 343372371 /nfs/dbraw/zinc/37/23/71/343372371.db2.gz VUFLTDOKZYTYRO-RKDXNWHRSA-N 0 0 295.295 1.375 20 5 CDBDRN C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])c1nccn1C ZINC000596541309 343346419 /nfs/dbraw/zinc/34/64/19/343346419.db2.gz FEICZRAXRVTHPN-SSDOTTSWSA-N 0 0 263.257 1.602 20 5 CDBDRN C[C@@H](c1ccccc1)[C@H](O)CNc1ncc([N+](=O)[O-])cn1 ZINC000596547759 343348135 /nfs/dbraw/zinc/34/81/35/343348135.db2.gz JZSDSFSSHQJAQZ-GXFFZTMASA-N 0 0 288.307 1.961 20 5 CDBDRN O=[N+]([O-])c1cccc(CNS(=O)(=O)CC2CCC2)c1 ZINC000092989028 342421404 /nfs/dbraw/zinc/42/14/04/342421404.db2.gz OYNAJOACHLZAPT-UHFFFAOYSA-N 0 0 284.337 1.814 20 5 CDBDRN CCc1nn(C)c(NCc2c(C)n[nH]c2C)c1[N+](=O)[O-] ZINC000094152199 342429997 /nfs/dbraw/zinc/42/99/97/342429997.db2.gz HPLCADZYKIWDLY-UHFFFAOYSA-N 0 0 278.316 1.843 20 5 CDBDRN CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000149425425 342436638 /nfs/dbraw/zinc/43/66/38/342436638.db2.gz WDAUBXFNVPIYES-UHFFFAOYSA-N 0 0 267.304 1.871 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1OCCOC(C)=O ZINC000113336497 342439828 /nfs/dbraw/zinc/43/98/28/342439828.db2.gz FNDVSYLVOHSQAO-UHFFFAOYSA-N 0 0 255.226 1.545 20 5 CDBDRN CCC[C@@H]1CN(c2c([N+](=O)[O-])c(CC)nn2C)CCO1 ZINC000091675801 342406647 /nfs/dbraw/zinc/40/66/47/342406647.db2.gz FXMMVIXTLXMSFU-SNVBAGLBSA-N 0 0 282.344 1.896 20 5 CDBDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127867332 187338363 /nfs/dbraw/zinc/33/83/63/187338363.db2.gz CXOSQOWKWOZMSX-JSGCOSHPSA-N 0 0 292.335 1.757 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@H](O)C1 ZINC000596865352 343405901 /nfs/dbraw/zinc/40/59/01/343405901.db2.gz FXTMDXRHRAERPJ-MGCOHNPYSA-N 0 0 279.296 1.856 20 5 CDBDRN C[N@H+]1CC=C(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436980104 362242078 /nfs/dbraw/zinc/24/20/78/362242078.db2.gz OEZWCJFLWNSKRL-UHFFFAOYSA-N 0 0 291.307 1.292 20 5 CDBDRN Cc1nn(C)c(N2CCO[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000373641499 282271842 /nfs/dbraw/zinc/27/18/42/282271842.db2.gz BPRKQPGYYWFICS-GXFFZTMASA-N 0 0 296.327 1.021 20 5 CDBDRN Cc1cccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000290665659 136403010 /nfs/dbraw/zinc/40/30/10/136403010.db2.gz HQSFRLDXSLPYPZ-GHMZBOCLSA-N 0 0 298.364 1.915 20 5 CDBDRN CC(C)(NC(=O)[C@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000597359598 343519449 /nfs/dbraw/zinc/51/94/49/343519449.db2.gz BTILLUNMKMQEEF-NSHDSACASA-N 0 0 291.307 1.082 20 5 CDBDRN O=C(NCCO[C@H]1CCCCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000597678984 343595200 /nfs/dbraw/zinc/59/52/00/343595200.db2.gz WLOZHVONTPIDNG-NSHDSACASA-N 0 0 283.284 1.196 20 5 CDBDRN Cc1n[nH]c(C)c1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000597735900 343620320 /nfs/dbraw/zinc/62/03/20/343620320.db2.gz KCZNLYMNEQQKTN-UHFFFAOYSA-N 0 0 291.311 1.246 20 5 CDBDRN CNC(=O)c1ccc(NC[C@H](C)CCCO)c([N+](=O)[O-])c1 ZINC000295041129 199316354 /nfs/dbraw/zinc/31/63/54/199316354.db2.gz WQNQMSMWOWDTLW-SNVBAGLBSA-N 0 0 295.339 1.775 20 5 CDBDRN CC[C@H](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597978760 343689883 /nfs/dbraw/zinc/68/98/83/343689883.db2.gz QVGPLYJFIDHIRI-QMMMGPOBSA-N 0 0 267.285 1.861 20 5 CDBDRN CC[C@H](CCO)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000128015321 187346663 /nfs/dbraw/zinc/34/66/63/187346663.db2.gz FIXIWJSEGXTNOF-MRVPVSSYSA-N 0 0 299.302 1.455 20 5 CDBDRN CSCC1(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000597987971 343680596 /nfs/dbraw/zinc/68/05/96/343680596.db2.gz OEJPLZPGXYHBAH-UHFFFAOYSA-N 0 0 284.341 1.581 20 5 CDBDRN CCOc1ccc(C(=O)NC/C=C\CO)cc1[N+](=O)[O-] ZINC000597993892 343683506 /nfs/dbraw/zinc/68/35/06/343683506.db2.gz VHKPSJFEIGHWKR-ARJAWSKDSA-N 0 0 280.280 1.272 20 5 CDBDRN CC(=O)NCCc1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000273920472 192364104 /nfs/dbraw/zinc/36/41/04/192364104.db2.gz WBXAEJKMFVYDRW-UHFFFAOYSA-N 0 0 276.252 1.323 20 5 CDBDRN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1CCO ZINC000598067111 343715804 /nfs/dbraw/zinc/71/58/04/343715804.db2.gz IAEJBKJSGGTKRS-CMPLNLGQSA-N 0 0 295.339 1.556 20 5 CDBDRN Cc1nnc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000598098543 343719107 /nfs/dbraw/zinc/71/91/07/343719107.db2.gz PXHPUSCHKWQJLB-UHFFFAOYSA-N 0 0 290.279 1.867 20 5 CDBDRN O=C(NC[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000598294336 343757700 /nfs/dbraw/zinc/75/77/00/343757700.db2.gz RXNWCXVSTJTWRQ-NSHDSACASA-N 0 0 278.308 1.733 20 5 CDBDRN Cc1cc(OCC(=O)NC2([C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000598385240 343782163 /nfs/dbraw/zinc/78/21/63/343782163.db2.gz UVULKSFLTXZDHY-SNVBAGLBSA-N 0 0 294.307 1.312 20 5 CDBDRN COC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000126950289 187273159 /nfs/dbraw/zinc/27/31/59/187273159.db2.gz UJDGNCVCTNCWMM-SSDOTTSWSA-N 0 0 280.240 1.028 20 5 CDBDRN CN(CC1=CCSC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598515480 343823118 /nfs/dbraw/zinc/82/31/18/343823118.db2.gz JSNUYUVZFOPQHY-UHFFFAOYSA-N 0 0 294.336 1.148 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598458714 343804388 /nfs/dbraw/zinc/80/43/88/343804388.db2.gz OPDUPWMVEJAICS-IUPBHXKESA-N 0 0 278.308 1.992 20 5 CDBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598639702 343853828 /nfs/dbraw/zinc/85/38/28/343853828.db2.gz TYERBUGOMJCOOD-NXEZZACHSA-N 0 0 251.286 1.445 20 5 CDBDRN CCC[C@@](C)(O)CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598595557 343840011 /nfs/dbraw/zinc/84/00/11/343840011.db2.gz JKCJUCQBHSOZIO-CYBMUJFWSA-N 0 0 297.311 1.739 20 5 CDBDRN COC(=O)c1ccnc(N(C)Cc2c[nH]cn2)c1[N+](=O)[O-] ZINC000598634276 343849970 /nfs/dbraw/zinc/84/99/70/343849970.db2.gz PZJXLRJKSPPWKV-UHFFFAOYSA-N 0 0 291.267 1.136 20 5 CDBDRN Cc1cc(N2CC[C@H](C)[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC000598635874 343863111 /nfs/dbraw/zinc/86/31/11/343863111.db2.gz KJPJLSBEBLPEDZ-GXSJLCMTSA-N 0 0 265.313 1.753 20 5 CDBDRN Cc1ccccc1[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000536439943 282313572 /nfs/dbraw/zinc/31/35/72/282313572.db2.gz INOAMARVRAESBK-LBPRGKRZSA-N 0 0 289.291 1.695 20 5 CDBDRN Cc1cc(C(=O)N2CC[C@H](C)[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000598784119 343906378 /nfs/dbraw/zinc/90/63/78/343906378.db2.gz JNVSGLSAKATTEU-AAEUAGOBSA-N 0 0 292.335 1.994 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOC2(CCC2)C1 ZINC000128140264 187354151 /nfs/dbraw/zinc/35/41/51/187354151.db2.gz GNAVKVLOVDKAAN-UHFFFAOYSA-N 0 0 290.319 1.919 20 5 CDBDRN COC(=O)Cc1ccc(NC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599173954 343975090 /nfs/dbraw/zinc/97/50/90/343975090.db2.gz GRJGNJGRGITINM-PHIMTYICSA-N 0 0 294.307 1.493 20 5 CDBDRN CCCNC(=O)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000128913072 362288719 /nfs/dbraw/zinc/28/87/19/362288719.db2.gz WSVXXBFFGXCEIE-UHFFFAOYSA-N 0 0 266.301 1.626 20 5 CDBDRN O=[N+]([O-])c1ccn(CCN2CCc3c(O)cccc3C2)n1 ZINC000599647024 344113464 /nfs/dbraw/zinc/11/34/64/344113464.db2.gz OJXGJSPSJQKOBU-UHFFFAOYSA-N 0 0 288.307 1.555 20 5 CDBDRN CC(C)CC[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000159571884 362361359 /nfs/dbraw/zinc/36/13/59/362361359.db2.gz KIZKRWZYYMVKRP-MRVPVSSYSA-N 0 0 254.290 1.872 20 5 CDBDRN CCCC(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000601737249 344234316 /nfs/dbraw/zinc/23/43/16/344234316.db2.gz MNTNOQVVYBZLQS-UHFFFAOYSA-N 0 0 280.280 1.702 20 5 CDBDRN C[C@H](CCCO)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601613344 344202824 /nfs/dbraw/zinc/20/28/24/344202824.db2.gz PPMUBEHWHPKIAO-SECBINFHSA-N 0 0 284.287 1.872 20 5 CDBDRN CC[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](C)O ZINC000601617349 344204183 /nfs/dbraw/zinc/20/41/83/344204183.db2.gz KHUVDJGSYDAWGU-IONNQARKSA-N 0 0 270.260 1.623 20 5 CDBDRN CC(C)(C(=O)N[C@H]1CCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000601877077 344272888 /nfs/dbraw/zinc/27/28/88/344272888.db2.gz OZOWNXQXOXQKHG-AAEUAGOBSA-N 0 0 292.335 1.902 20 5 CDBDRN CCc1csc(=O)n1CCn1c(C)ncc1[N+](=O)[O-] ZINC000601914066 344279637 /nfs/dbraw/zinc/27/96/37/344279637.db2.gz UMYZECKPBADPED-UHFFFAOYSA-N 0 0 282.325 1.586 20 5 CDBDRN COC[C@H](C)SCCn1c(C)ncc1[N+](=O)[O-] ZINC000601915914 344280136 /nfs/dbraw/zinc/28/01/36/344280136.db2.gz AINACEIBIFHNTG-QMMMGPOBSA-N 0 0 259.331 1.868 20 5 CDBDRN CCNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008094136 344366583 /nfs/dbraw/zinc/36/65/83/344366583.db2.gz FPTPZHHHSDHQAA-UHFFFAOYSA-N 0 0 285.687 1.114 20 5 CDBDRN CCN1CCOC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000602231869 344382956 /nfs/dbraw/zinc/38/29/56/344382956.db2.gz RDPBZQINUQVVLL-CYBMUJFWSA-N 0 0 293.323 1.562 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000531883285 362430935 /nfs/dbraw/zinc/43/09/35/362430935.db2.gz ADXHLVGREUPPJF-JTQLQIEISA-N 0 0 266.322 1.964 20 5 CDBDRN CC(=O)NC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000265505051 362436987 /nfs/dbraw/zinc/43/69/87/362436987.db2.gz YMVDMRUKHRSBHO-LLVKDONJSA-N 0 0 297.286 1.075 20 5 CDBDRN CO[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602897640 344653153 /nfs/dbraw/zinc/65/31/53/344653153.db2.gz NOJZCCHNIVHTJX-AWEZNQCLSA-N 0 0 296.323 1.668 20 5 CDBDRN CC[C@@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602954919 344672263 /nfs/dbraw/zinc/67/22/63/344672263.db2.gz WRXBUDVBTGKCEF-SNVBAGLBSA-N 0 0 278.312 1.984 20 5 CDBDRN CC[C@@H]1C[N@H+](CC)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602839176 344620573 /nfs/dbraw/zinc/62/05/73/344620573.db2.gz IJWXBDHJZGDTLR-CYBMUJFWSA-N 0 0 295.387 1.516 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCN1Cc2ccc(O)cc2C1 ZINC000602916268 344648616 /nfs/dbraw/zinc/64/86/16/344648616.db2.gz NHKOZICUGGYIKE-UHFFFAOYSA-N 0 0 288.307 1.821 20 5 CDBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]1C ZINC000603267513 344764371 /nfs/dbraw/zinc/76/43/71/344764371.db2.gz VPEGWYXYTUCNGO-WCBMZHEXSA-N 0 0 295.343 1.448 20 5 CDBDRN O=[N+]([O-])c1cccc(CSCCc2nn[nH]n2)c1 ZINC000603335820 344778776 /nfs/dbraw/zinc/77/87/76/344778776.db2.gz 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C[C@H]1CC(=O)NCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595402015 392564307 /nfs/dbraw/zinc/56/43/07/392564307.db2.gz RGKJDBKQXJYQSM-VIFPVBQESA-N 0 0 281.287 1.444 20 5 CDBDRN C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1C ZINC000265561087 131603858 /nfs/dbraw/zinc/60/38/58/131603858.db2.gz VHXLMCBLXPVPIJ-JGVFFNPUSA-N 0 0 269.326 1.889 20 5 CDBDRN CCc1ccc(C(=O)N2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000267275787 131847399 /nfs/dbraw/zinc/84/73/99/131847399.db2.gz ULXLKJYUOBOKER-AWEZNQCLSA-N 0 0 278.308 1.754 20 5 CDBDRN CC(C)(CNc1ccc([N+](=O)[O-])cn1)C1(O)CCOCC1 ZINC000419011889 392885431 /nfs/dbraw/zinc/88/54/31/392885431.db2.gz UHBMKIADXICNTO-UHFFFAOYSA-N 0 0 295.339 1.969 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H](C)S1 ZINC000525261251 392924178 /nfs/dbraw/zinc/92/41/78/392924178.db2.gz SNXDZTTUORNLPM-OCAPTIKFSA-N 0 0 297.336 1.661 20 5 CDBDRN CC[C@@H]1CCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268389447 132002137 /nfs/dbraw/zinc/00/21/37/132002137.db2.gz 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C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccnc1 ZINC000186755471 140068690 /nfs/dbraw/zinc/06/86/90/140068690.db2.gz JAVPGWYAFCDZPN-MRVPVSSYSA-N 0 0 287.279 1.458 20 5 CDBDRN O=C(Nc1cccc2[nH]cnc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187109339 140074914 /nfs/dbraw/zinc/07/49/14/140074914.db2.gz QYXJBMIRVRCSOE-UHFFFAOYSA-N 0 0 299.246 1.824 20 5 CDBDRN CCc1nnc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)s1 ZINC000187899311 140085942 /nfs/dbraw/zinc/08/59/42/140085942.db2.gz TZXATCCFHBWKEF-UHFFFAOYSA-N 0 0 295.280 1.362 20 5 CDBDRN CSc1cccc(C(=O)NCCO)c1[N+](=O)[O-] ZINC000188018273 140086567 /nfs/dbraw/zinc/08/65/67/140086567.db2.gz VAZRQCKGRJCSKA-UHFFFAOYSA-N 0 0 256.283 1.039 20 5 CDBDRN CCC[C@H](CC)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000195272301 140152171 /nfs/dbraw/zinc/15/21/71/140152171.db2.gz CCYJKTSPVBSNGU-JTQLQIEISA-N 0 0 281.312 1.451 20 5 CDBDRN O=[N+]([O-])c1cccc(Cl)c1NC[C@]1(O)CCOC1 ZINC000227170652 140183086 /nfs/dbraw/zinc/18/30/86/140183086.db2.gz AUCHBUDGFVMDTM-LLVKDONJSA-N 0 0 272.688 1.812 20 5 CDBDRN Cc1ccnc(NCCN2CCSCC2)c1[N+](=O)[O-] ZINC000227116577 140183511 /nfs/dbraw/zinc/18/35/11/140183511.db2.gz IOYBUXZJUMZMEU-UHFFFAOYSA-N 0 0 282.369 1.759 20 5 CDBDRN CC(C)(C)C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000227378867 140183994 /nfs/dbraw/zinc/18/39/94/140183994.db2.gz XRLXNFNFBHXVRA-SECBINFHSA-N 0 0 269.301 1.450 20 5 CDBDRN O=[N+]([O-])c1cnc(NCC2(O)CCC2)c(Cl)c1 ZINC000227651592 140186958 /nfs/dbraw/zinc/18/69/58/140186958.db2.gz ACGHSQPCBGRAGM-UHFFFAOYSA-N 0 0 257.677 1.970 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000228200422 140193534 /nfs/dbraw/zinc/19/35/34/140193534.db2.gz QWXQSSGRGUIXLB-RKDXNWHRSA-N 0 0 288.325 1.033 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)C(F)F)c1 ZINC000230231626 140209396 /nfs/dbraw/zinc/20/93/96/140209396.db2.gz VLICIQPYWLDXGG-VIFPVBQESA-N 0 0 274.223 1.259 20 5 CDBDRN Cc1nn(C)c(NC[C@@H]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000230909563 140214482 /nfs/dbraw/zinc/21/44/82/140214482.db2.gz 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/nfs/dbraw/zinc/30/45/62/751304562.db2.gz PGPDGPBXKRHHKM-LBPRGKRZSA-N 0 0 291.307 1.512 20 5 CDBDRN CCOC1CC(N(C)Cn2nccc2[N+](=O)[O-])C1 ZINC000808212614 751313733 /nfs/dbraw/zinc/31/37/33/751313733.db2.gz SLQVHQCSPGFPPA-UHFFFAOYSA-N 0 0 254.290 1.248 20 5 CDBDRN CC[C@@H]1C[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000922359498 751325740 /nfs/dbraw/zinc/32/57/40/751325740.db2.gz AOURXAMZAOKQME-BDAKNGLRSA-N 0 0 253.258 1.381 20 5 CDBDRN CCO[C@@H]1C[C@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853892363 751327876 /nfs/dbraw/zinc/32/78/76/751327876.db2.gz SYMUSYSYNRCJOB-HTQZYQBOSA-N 0 0 270.241 1.359 20 5 CDBDRN O=C(OCCc1c(F)cccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000829278073 751331671 /nfs/dbraw/zinc/33/16/71/751331671.db2.gz GOCKQBGXOUOMAK-LDYMZIIASA-N 0 0 271.219 1.716 20 5 CDBDRN CSCCONC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830991479 752313423 /nfs/dbraw/zinc/31/34/23/752313423.db2.gz YYJGQJQSBOANRM-UHFFFAOYSA-N 0 0 250.320 1.233 20 5 CDBDRN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000874045676 752331099 /nfs/dbraw/zinc/33/10/99/752331099.db2.gz BMKDNZJBQCAACY-DTORHVGOSA-N 0 0 268.244 1.687 20 5 CDBDRN CC(=O)c1cccc(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1F ZINC000873638739 752338418 /nfs/dbraw/zinc/33/84/18/752338418.db2.gz CJNDFEOAUAFTGL-RKDXNWHRSA-N 0 0 267.212 1.599 20 5 CDBDRN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC001610437336 1165316246 /nfs/dbraw/zinc/31/62/46/1165316246.db2.gz PYGUOZYUVWPVCF-VIFPVBQESA-N 0 0 294.311 1.360 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C1CC1 ZINC000843845222 752359678 /nfs/dbraw/zinc/35/96/78/752359678.db2.gz DXZCKGLYNLCWAQ-JTQLQIEISA-N 0 0 282.271 1.543 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2cc(F)ccc2C1 ZINC000863810253 752360912 /nfs/dbraw/zinc/36/09/12/752360912.db2.gz GKLVGBVDSZXDAL-GHMZBOCLSA-N 0 0 280.255 1.212 20 5 CDBDRN CC(C)C(=O)N(C)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000882122396 752394717 /nfs/dbraw/zinc/39/47/17/752394717.db2.gz ZXMGUUIFBAXXAO-UHFFFAOYSA-N 0 0 287.703 1.482 20 5 CDBDRN COCCCCC(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853894089 752437601 /nfs/dbraw/zinc/43/76/01/752437601.db2.gz SAAFSINUOWLLQG-UHFFFAOYSA-N 0 0 272.257 1.751 20 5 CDBDRN CON1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000854860758 752472926 /nfs/dbraw/zinc/47/29/26/752472926.db2.gz LIYRNKJRJTWVGW-UHFFFAOYSA-N 0 0 279.296 1.222 20 5 CDBDRN O=[N+]([O-])CCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000929995482 752546051 /nfs/dbraw/zinc/54/60/51/752546051.db2.gz RDIVHFXQLFIYEM-ZDUSSCGKSA-N 0 0 260.297 1.491 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(=O)N[C@H](C)C1 ZINC000823369738 752576880 /nfs/dbraw/zinc/57/68/80/752576880.db2.gz JFXCDLJRDTULOQ-SECBINFHSA-N 0 0 291.307 1.172 20 5 CDBDRN CN(C)C(=O)[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000840364026 752582171 /nfs/dbraw/zinc/58/21/71/752582171.db2.gz IUQIBBIVYTXIEF-MRVPVSSYSA-N 0 0 299.277 1.788 20 5 CDBDRN O=c1[nH]ccc(N2C[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000884644322 752594557 /nfs/dbraw/zinc/59/45/57/752594557.db2.gz LGDZEYSAMBKGMJ-OCAPTIKFSA-N 0 0 267.310 1.495 20 5 CDBDRN C[C@@H](O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000792272706 752595289 /nfs/dbraw/zinc/59/52/89/752595289.db2.gz XCNTUAQYWYZOHN-ZCFIWIBFSA-N 0 0 291.662 1.854 20 5 CDBDRN COc1ccc(C(=O)O[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000809026397 752598434 /nfs/dbraw/zinc/59/84/34/752598434.db2.gz LXNQGELCAUGIEP-VIFPVBQESA-N 0 0 294.263 1.039 20 5 CDBDRN COc1ccc(NC(=O)[C@@H]2CCOC(=O)N2)cc1[N+](=O)[O-] ZINC000860719383 752621790 /nfs/dbraw/zinc/62/17/90/752621790.db2.gz UBTJUAPRXHBEQO-QMMMGPOBSA-N 0 0 295.251 1.040 20 5 CDBDRN CCSCCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831810681 752687739 /nfs/dbraw/zinc/68/77/39/752687739.db2.gz VLJKALJPGKRXQP-GFCCVEGCSA-N 0 0 298.364 1.888 20 5 CDBDRN C[C@H]1CN(CC[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000929993350 752708869 /nfs/dbraw/zinc/70/88/69/752708869.db2.gz BTLXJEXWDUVGHA-QWRGUYRKSA-N 0 0 287.360 1.498 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000860921453 752707320 /nfs/dbraw/zinc/70/73/20/752707320.db2.gz SEMOHDCLKNGDQX-UHFFFAOYSA-N 0 0 266.253 1.488 20 5 CDBDRN CC(C)(CCC(=O)NC[C@]1(O)CCCC1(C)C)[N+](=O)[O-] ZINC000832870391 752710998 /nfs/dbraw/zinc/71/09/98/752710998.db2.gz IYNIEUXFCNROET-CQSZACIVSA-N 0 0 286.372 1.879 20 5 CDBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1F ZINC000177780018 752719584 /nfs/dbraw/zinc/71/95/84/752719584.db2.gz DZBXDRPQHSYSNT-UHFFFAOYSA-N 0 0 297.217 1.927 20 5 CDBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)OCC1CCOCC1 ZINC000062823937 752730475 /nfs/dbraw/zinc/73/04/75/752730475.db2.gz NOZQFSITNPCIFN-UHFFFAOYSA-N 0 0 280.280 1.760 20 5 CDBDRN COc1cnc(C(=O)OCc2onc(C)c2[N+](=O)[O-])nc1 ZINC000853920930 752732710 /nfs/dbraw/zinc/73/27/10/752732710.db2.gz IWFXLDRSJGNAJH-UHFFFAOYSA-N 0 0 294.223 1.047 20 5 CDBDRN Cn1nncc1COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809956403 752791668 /nfs/dbraw/zinc/79/16/68/752791668.db2.gz DWAITNPSYYTHMA-UHFFFAOYSA-N 0 0 268.660 1.956 20 5 CDBDRN COc1ccc(NC(=O)[C@@H]2CC(C)=NO2)cc1[N+](=O)[O-] ZINC000831972510 752790602 /nfs/dbraw/zinc/79/06/02/752790602.db2.gz HXNYXUIKWDLBME-NSHDSACASA-N 0 0 279.252 1.707 20 5 CDBDRN CC1(C)CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)O1 ZINC000890135607 752804463 /nfs/dbraw/zinc/80/44/63/752804463.db2.gz KJQNANOITLNFCH-SNVBAGLBSA-N 0 0 296.327 1.255 20 5 CDBDRN O=C1CCCN1C[C@H](NCC[N+](=O)[O-])c1ccccc1 ZINC000930193512 752817791 /nfs/dbraw/zinc/81/77/91/752817791.db2.gz BCVIVYFPIUCFBK-ZDUSSCGKSA-N 0 0 277.324 1.216 20 5 CDBDRN Cc1ccc(N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000136806276 752826161 /nfs/dbraw/zinc/82/61/61/752826161.db2.gz NRJCVDUJFJRAKJ-UHFFFAOYSA-N 0 0 260.253 1.903 20 5 CDBDRN CC(C)[C@H](NC=O)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000858773950 752829961 /nfs/dbraw/zinc/82/99/61/752829961.db2.gz UGVMXVVJZSVVSP-JTQLQIEISA-N 0 0 284.316 1.501 20 5 CDBDRN CSCc1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839732487 752841978 /nfs/dbraw/zinc/84/19/78/752841978.db2.gz DXDHOLRVQDGCKG-VXGBXAGGSA-N 0 0 280.349 1.831 20 5 CDBDRN COCCN(C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794622537 752843510 /nfs/dbraw/zinc/84/35/10/752843510.db2.gz CZAFWUBCVOUWAJ-UHFFFAOYSA-N 0 0 281.268 1.038 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OC1CCSCC1 ZINC000873558680 752854170 /nfs/dbraw/zinc/85/41/70/752854170.db2.gz XRDUKEWFDXYNME-UHFFFAOYSA-N 0 0 271.298 1.230 20 5 CDBDRN CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001046228615 752870872 /nfs/dbraw/zinc/87/08/72/752870872.db2.gz KYBQUCLTFRQAED-KLPPZKSPSA-N 0 0 263.297 1.921 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1ccnc(N2CCCCC2)n1 ZINC000860915267 752876406 /nfs/dbraw/zinc/87/64/06/752876406.db2.gz PQJZZPOPIZHEGD-UHFFFAOYSA-N 0 0 294.311 1.291 20 5 CDBDRN Cc1c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cnn1C ZINC000176326191 752887108 /nfs/dbraw/zinc/88/71/08/752887108.db2.gz GRAXFFGLZQDQTM-UHFFFAOYSA-N 0 0 289.295 1.780 20 5 CDBDRN CN1C[C@@H]2CC[C@H](CC1=O)N2c1ccc([N+](=O)[O-])cn1 ZINC000884863361 752935657 /nfs/dbraw/zinc/93/56/57/752935657.db2.gz GFXLWIANNARTHU-KOLCDFICSA-N 0 0 276.296 1.189 20 5 CDBDRN Cc1ncc(COC(=O)c2c(N)cccc2[N+](=O)[O-])cn1 ZINC000803422037 752977508 /nfs/dbraw/zinc/97/75/08/752977508.db2.gz CLHRMBQQMZEJGU-UHFFFAOYSA-N 0 0 288.263 1.632 20 5 CDBDRN Nc1ccc(NC(=O)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000819916644 752991305 /nfs/dbraw/zinc/99/13/05/752991305.db2.gz PCYWBXFEXXXZDA-MRVPVSSYSA-N 0 0 265.269 1.542 20 5 CDBDRN Cc1nnc([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N)[nH]1 ZINC000840195745 752996876 /nfs/dbraw/zinc/99/68/76/752996876.db2.gz HCQXWUOGZDBNCD-LURJTMIESA-N 0 0 291.267 1.522 20 5 CDBDRN CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)OC ZINC000827789896 753004891 /nfs/dbraw/zinc/00/48/91/753004891.db2.gz SYWIXVWIWKMNDB-VIFPVBQESA-N 0 0 274.317 1.280 20 5 CDBDRN Cc1cc(Cl)ncc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000127899321 753025344 /nfs/dbraw/zinc/02/53/44/753025344.db2.gz VMMWRXMOHORXIZ-UHFFFAOYSA-N 0 0 295.686 1.937 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H]1COCCO1 ZINC000778776488 753030553 /nfs/dbraw/zinc/03/05/53/753030553.db2.gz UGCFJHDXZXKEDS-ZWNOBZJWSA-N 0 0 295.291 1.923 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NC1([C@H]2CCCCO2)CC1 ZINC000887098360 753048495 /nfs/dbraw/zinc/04/84/95/753048495.db2.gz QYIIMBRQEUHVNU-LLVKDONJSA-N 0 0 294.311 1.009 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H]1CCCC(=O)N1 ZINC000808271505 753049939 /nfs/dbraw/zinc/04/99/39/753049939.db2.gz OCUGMRMLFPCDCF-SNVBAGLBSA-N 0 0 292.291 1.867 20 5 CDBDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCCn1cc([N+](=O)[O-])cn1 ZINC000835336246 753076070 /nfs/dbraw/zinc/07/60/70/753076070.db2.gz HXPCGILXZYVNDQ-SCVCMEIPSA-N 0 0 279.296 1.771 20 5 CDBDRN CC(C)OCC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791779912 753077716 /nfs/dbraw/zinc/07/77/16/753077716.db2.gz XBTKNJHVEUOYIU-UHFFFAOYSA-N 0 0 298.251 1.971 20 5 CDBDRN O=[N+]([O-])c1cccnc1N1C[C@H](O)CC2(CCOCC2)C1 ZINC000883015604 753092209 /nfs/dbraw/zinc/09/22/09/753092209.db2.gz WUTFBEVCSBFASI-LLVKDONJSA-N 0 0 293.323 1.358 20 5 CDBDRN 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/nfs/dbraw/zinc/89/70/98/941897098.db2.gz SAWODVXEHVPTBV-QMMMGPOBSA-N 0 0 276.252 1.286 20 5 CDBDRN O=c1cc[nH]c(OC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC001225666662 941897631 /nfs/dbraw/zinc/89/76/31/941897631.db2.gz KLQPHJLZIJGZJA-MRVPVSSYSA-N 0 0 254.242 1.643 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2CN(C)CCO2)c1 ZINC001225806605 941915369 /nfs/dbraw/zinc/91/53/69/941915369.db2.gz SHEYVRVOAZNSPG-LBPRGKRZSA-N 0 0 294.307 1.507 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CN(C)CCO2)c1 ZINC001225806602 941915506 /nfs/dbraw/zinc/91/55/06/941915506.db2.gz SHEYVRVOAZNSPG-GFCCVEGCSA-N 0 0 294.307 1.507 20 5 CDBDRN C[C@@H](CN1CCOCC1)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904745 941927573 /nfs/dbraw/zinc/92/75/73/941927573.db2.gz HZPMTYLBSIOVTJ-JTQLQIEISA-N 0 0 284.287 1.833 20 5 CDBDRN COC(=O)c1cc(O)ccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225974798 941935053 /nfs/dbraw/zinc/93/50/53/941935053.db2.gz RWWWJNTZTCTZJJ-GFCCVEGCSA-N 0 0 281.264 1.613 20 5 CDBDRN Cc1ccnc(O[C@@H]2[C@H]3C[C@@H]4C(=O)O[C@@H]2[C@H]4C3)c1[N+](=O)[O-] ZINC001226116471 941953029 /nfs/dbraw/zinc/95/30/29/941953029.db2.gz QYANGIMRPPYACN-ACJPCYBHSA-N 0 0 290.275 1.627 20 5 CDBDRN Cc1ccnc(O[C@@H]2[C@H]3C[C@H]4C(=O)O[C@@H]2[C@H]4C3)c1[N+](=O)[O-] ZINC001226116483 941953377 /nfs/dbraw/zinc/95/33/77/941953377.db2.gz QYANGIMRPPYACN-VNJKPEEASA-N 0 0 290.275 1.627 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001226130455 941955324 /nfs/dbraw/zinc/95/53/24/941955324.db2.gz NUILQDVHROTGSF-OVYXKVPISA-N 0 0 286.671 1.783 20 5 CDBDRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226169078 941962281 /nfs/dbraw/zinc/96/22/81/941962281.db2.gz XYJJTHCOWOAMIL-ZETCQYMHSA-N 0 0 282.252 1.024 20 5 CDBDRN CCO[C@H](C)COc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226171780 941963398 /nfs/dbraw/zinc/96/33/98/941963398.db2.gz GRKVLTOMVLSFPN-MRVPVSSYSA-N 0 0 268.269 1.498 20 5 CDBDRN Cn1nc(N)c2ccc(O[C@H](C[N+](=O)[O-])C3CC3)cc21 ZINC001226286658 941979834 /nfs/dbraw/zinc/97/98/34/941979834.db2.gz SJKBNQWDLRIVEZ-GFCCVEGCSA-N 0 0 276.296 1.590 20 5 CDBDRN CC(=O)c1ccc(OC(=O)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001226291090 941980534 /nfs/dbraw/zinc/98/05/34/941980534.db2.gz BWKRLEJGWHRGIS-SSDOTTSWSA-N 0 0 267.237 1.474 20 5 CDBDRN CC(C)OC(=O)COc1nc(Cl)ccc1[N+](=O)[O-] ZINC001226365095 941993842 /nfs/dbraw/zinc/99/38/42/941993842.db2.gz YAZUAEIVBWKTRA-UHFFFAOYSA-N 0 0 274.660 1.974 20 5 CDBDRN CC[C@@H](O)C(=O)Oc1cc(OC)ccc1[N+](=O)[O-] ZINC001226443663 942005299 /nfs/dbraw/zinc/00/52/99/942005299.db2.gz ZKZUMOQHIDHEDT-SECBINFHSA-N 0 0 255.226 1.280 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1COC(=O)O1 ZINC001226531803 942021019 /nfs/dbraw/zinc/02/10/19/942021019.db2.gz NKZWYVPVSKYNJG-VIFPVBQESA-N 0 0 281.220 1.712 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OC1CCN(N)CC1 ZINC001226531602 942021347 /nfs/dbraw/zinc/02/13/47/942021347.db2.gz LJMVPIVSOSHPDZ-UHFFFAOYSA-N 0 0 279.296 1.514 20 5 CDBDRN COC(=O)C1(C)CC(Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226712905 942055025 /nfs/dbraw/zinc/05/50/25/942055025.db2.gz RSRIFTISNUZPSW-UHFFFAOYSA-N 0 0 266.253 1.710 20 5 CDBDRN CCOC(=O)[C@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734628 942059924 /nfs/dbraw/zinc/05/99/24/942059924.db2.gz ZXPFGOXLBQETLN-WCBMZHEXSA-N 0 0 281.268 1.495 20 5 CDBDRN CN1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743857 942061236 /nfs/dbraw/zinc/06/12/36/942061236.db2.gz IQFNEDVOEOHXFI-MRVPVSSYSA-N 0 0 258.224 1.956 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001226760594 942064672 /nfs/dbraw/zinc/06/46/72/942064672.db2.gz BSYGMJPFOZGLMZ-BIMULSAOSA-N 0 0 291.307 1.481 20 5 CDBDRN O=C1C[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)CO1 ZINC001226803853 942073871 /nfs/dbraw/zinc/07/38/71/942073871.db2.gz GLVAQBXPDDTQEF-LURJTMIESA-N 0 0 293.210 1.371 20 5 CDBDRN CC1(C)COC(=O)[C@H]1Oc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226916754 942093506 /nfs/dbraw/zinc/09/35/06/942093506.db2.gz FJPNJRLCVKOJTJ-SECBINFHSA-N 0 0 286.671 1.974 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1c(O)cccc1O ZINC001227031470 942118081 /nfs/dbraw/zinc/11/80/81/942118081.db2.gz MUSHMPHCWARSMX-MRVPVSSYSA-N 0 0 293.279 1.978 20 5 CDBDRN CC1=C(Oc2nc(C)ccc2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001227062953 942124181 /nfs/dbraw/zinc/12/41/81/942124181.db2.gz WSCQXCWWWZEHAW-MRVPVSSYSA-N 0 0 264.237 1.896 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(OC2CCS(=O)(=O)CC2)n1 ZINC001227062520 942124423 /nfs/dbraw/zinc/12/44/23/942124423.db2.gz OUCREPWEWWYXKE-UHFFFAOYSA-N 0 0 286.309 1.254 20 5 CDBDRN CCOC(=O)[C@H](C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227108303 942133419 /nfs/dbraw/zinc/13/34/19/942133419.db2.gz MUAGHCNEEYTRNI-LURJTMIESA-N 0 0 285.212 1.228 20 5 CDBDRN COC(=O)c1cccc([N+](=O)[O-])c1OC[C@H]1COCCO1 ZINC001227121621 942136315 /nfs/dbraw/zinc/13/63/15/942136315.db2.gz CVQQKBNVEPHXPF-SECBINFHSA-N 0 0 297.263 1.176 20 5 CDBDRN COC(=O)c1cccc([N+](=O)[O-])c1OC[C@@H]1COC(=O)O1 ZINC001227123042 942137100 /nfs/dbraw/zinc/13/71/00/942137100.db2.gz ZKPXPXSPXNXABG-SSDOTTSWSA-N 0 0 297.219 1.296 20 5 CDBDRN O=C1OCC[C@@H]1Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227244202 942156167 /nfs/dbraw/zinc/15/61/67/942156167.db2.gz WPBWPWFWANOQSX-LURJTMIESA-N 0 0 292.169 1.703 20 5 CDBDRN CCOC(=O)c1ccc(O[C@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001227297615 942165082 /nfs/dbraw/zinc/16/50/82/942165082.db2.gz VPKZJUWPDOHHFH-NSHDSACASA-N 0 0 295.247 1.466 20 5 CDBDRN O=C1OCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227463358 942178983 /nfs/dbraw/zinc/17/89/83/942178983.db2.gz PDHVYPBQKQLHOY-VIFPVBQESA-N 0 0 268.181 1.197 20 5 CDBDRN C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)c1cnccn1 ZINC001227692537 942205715 /nfs/dbraw/zinc/20/57/15/942205715.db2.gz ZKYQZFTZDWCUEP-SSDOTTSWSA-N 0 0 286.251 1.796 20 5 CDBDRN COC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])cc(F)c1F ZINC001228021779 942259720 /nfs/dbraw/zinc/25/97/20/942259720.db2.gz CFYPUPBZWCXGJE-RXMQYKEDSA-N 0 0 261.180 1.813 20 5 CDBDRN Cc1cc(C)c(O[C@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001228231156 942283878 /nfs/dbraw/zinc/28/38/78/942283878.db2.gz ZXLWANPZSQGPQX-JTQLQIEISA-N 0 0 251.238 1.906 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ncc[nH]3)C2)nc1 ZINC001228302227 942292554 /nfs/dbraw/zinc/29/25/54/942292554.db2.gz HICZVMSGNBRKSY-JTQLQIEISA-N 0 0 275.268 1.371 20 5 CDBDRN CC[N@@H+]1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228602847 942340782 /nfs/dbraw/zinc/34/07/82/942340782.db2.gz GEVGWTYATNYGGT-SECBINFHSA-N 0 0 294.311 1.441 20 5 CDBDRN COC(=O)[C@@H](Oc1ncncc1[N+](=O)[O-])c1ccccc1 ZINC001228657377 942348724 /nfs/dbraw/zinc/34/87/24/942348724.db2.gz PBVGNOBWTRXYFV-NSHDSACASA-N 0 0 289.247 1.678 20 5 CDBDRN CCOC(=O)[C@@H](CC)Oc1ncncc1[N+](=O)[O-] ZINC001228655905 942348842 /nfs/dbraw/zinc/34/88/42/942348842.db2.gz XLTPHSGHTRYXQE-MRVPVSSYSA-N 0 0 255.230 1.105 20 5 CDBDRN CO[C@H](C)CO[C@H](C)COc1ncncc1[N+](=O)[O-] ZINC001228659331 942350262 /nfs/dbraw/zinc/35/02/62/942350262.db2.gz JEPRLSRHCDIPHA-RKDXNWHRSA-N 0 0 271.273 1.204 20 5 CDBDRN CS(=O)(=O)c1ccc(OC2CC(=O)C2)c([N+](=O)[O-])c1 ZINC001228662800 942351280 /nfs/dbraw/zinc/35/12/80/942351280.db2.gz CDVSWEJSZYZWKD-UHFFFAOYSA-N 0 0 285.277 1.109 20 5 CDBDRN Cc1[nH]c(=O)cc(OCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC001228687401 942357455 /nfs/dbraw/zinc/35/74/55/942357455.db2.gz WURMYESTILEVJI-UHFFFAOYSA-N 0 0 270.241 1.334 20 5 CDBDRN Cc1[nH]c(=O)cc(O[C@@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC001228688661 942358579 /nfs/dbraw/zinc/35/85/79/942358579.db2.gz MHOPOGZISXUGRN-IONNQARKSA-N 0 0 268.269 1.808 20 5 CDBDRN Cc1cc(OC2CS(=O)(=O)C2)cc([N+](=O)[O-])c1 ZINC001228837600 942382075 /nfs/dbraw/zinc/38/20/75/942382075.db2.gz JHDDMBDZZZOLON-UHFFFAOYSA-N 0 0 257.267 1.079 20 5 CDBDRN Cc1cc(OC2CCS(=O)(=O)CC2)cc([N+](=O)[O-])c1 ZINC001228833931 942382395 /nfs/dbraw/zinc/38/23/95/942382395.db2.gz VMFPNMJTINBYFI-UHFFFAOYSA-N 0 0 285.321 1.859 20 5 CDBDRN COC[C@@H](C)OC[C@@H](C)Oc1cnccc1[N+](=O)[O-] ZINC001228883617 942388236 /nfs/dbraw/zinc/38/82/36/942388236.db2.gz WTYHPWRVCMGYMQ-NXEZZACHSA-N 0 0 270.285 1.809 20 5 CDBDRN O=C1OCCC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228933079 942397227 /nfs/dbraw/zinc/39/72/27/942397227.db2.gz APCKNQWZKLDSAG-ZETCQYMHSA-N 0 0 272.644 1.728 20 5 CDBDRN CC(=O)c1cccc([N+](=O)[O-])c1OC[C@@H]1COCCO1 ZINC001228972026 942401859 /nfs/dbraw/zinc/40/18/59/942401859.db2.gz TYQFCRWQWWYLEK-JTQLQIEISA-N 0 0 281.264 1.592 20 5 CDBDRN CC(=O)c1cccc(O[C@H]2CCCOC2=O)c1[N+](=O)[O-] ZINC001229132786 942423091 /nfs/dbraw/zinc/42/30/91/942423091.db2.gz XHGLCPBUCWRAMV-NSHDSACASA-N 0 0 279.248 1.882 20 5 CDBDRN CC(=O)c1cccc(OC[C@H]2COCCO2)c1[N+](=O)[O-] ZINC001229132248 942423180 /nfs/dbraw/zinc/42/31/80/942423180.db2.gz QMMZDJULFWMUCB-SNVBAGLBSA-N 0 0 281.264 1.592 20 5 CDBDRN CCN1CC(Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229361876 942459583 /nfs/dbraw/zinc/45/95/83/942459583.db2.gz PIGBCULQUFURDZ-UHFFFAOYSA-N 0 0 290.279 1.327 20 5 CDBDRN O=[N+]([O-])c1ccc(O)c(O[C@H]2CCOC[C@@H]2F)c1 ZINC001229400424 942464370 /nfs/dbraw/zinc/46/43/70/942464370.db2.gz VIYAEYIDWOXMLT-WPRPVWTQSA-N 0 0 257.217 1.806 20 5 CDBDRN COC[C@@H](C)OC[C@@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229455638 942476641 /nfs/dbraw/zinc/47/66/41/942476641.db2.gz KSZDPNGWJKAJOH-NXEZZACHSA-N 0 0 286.284 1.047 20 5 CDBDRN Cc1cc(O)c(OC[C@@H]2COC(=O)O2)cc1[N+](=O)[O-] ZINC001229750150 942526407 /nfs/dbraw/zinc/52/64/07/942526407.db2.gz KTONROLHAWJIJB-SSDOTTSWSA-N 0 0 269.209 1.523 20 5 CDBDRN CC[C@H](O)C(=O)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229914635 942552099 /nfs/dbraw/zinc/55/20/99/942552099.db2.gz DJYYZMUDLAIDFB-YFKPBYRVSA-N 0 0 260.633 1.320 20 5 CDBDRN O=[N+]([O-])c1c[nH]cc2nc(OC[C@@H]3CCCO3)nc1-2 ZINC001230230112 942592332 /nfs/dbraw/zinc/59/23/32/942592332.db2.gz KTXDZVXWGLRFFU-ZETCQYMHSA-N 0 0 264.241 1.424 20 5 CDBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC[C@H]1COCO1 ZINC001230313006 942605979 /nfs/dbraw/zinc/60/59/79/942605979.db2.gz RQEDSUSFTSANGE-SSDOTTSWSA-N 0 0 270.197 1.255 20 5 CDBDRN COC(=O)[C@H]1C[C@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312945 942606552 /nfs/dbraw/zinc/60/65/52/942606552.db2.gz PPQPSDGNQMEUJT-ZKCHVHJHSA-N 0 0 296.235 1.833 20 5 CDBDRN Cc1cc(O[C@@H]2COC(=O)C2)cc([N+](=O)[O-])c1C ZINC001230471492 942621654 /nfs/dbraw/zinc/62/16/54/942621654.db2.gz IBMWTEBRTNHCCE-JTQLQIEISA-N 0 0 251.238 1.906 20 5 CDBDRN C[C@@H](O)CC(=O)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230917825 942733847 /nfs/dbraw/zinc/73/38/47/942733847.db2.gz KKZADOGTGAEJED-ZCFIWIBFSA-N 0 0 259.645 1.925 20 5 CDBDRN Cn1c(O[C@@H](C[N+](=O)[O-])C2CC2)nc2c1ncnc2Cl ZINC001231046549 942766948 /nfs/dbraw/zinc/76/69/48/942766948.db2.gz VQTIAOHRWALPKB-ZETCQYMHSA-N 0 0 297.702 1.451 20 5 CDBDRN COC(=O)C[C@@H](C)Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231053295 942769470 /nfs/dbraw/zinc/76/94/70/942769470.db2.gz OHFSKOGIRQIBHQ-MRVPVSSYSA-N 0 0 291.263 1.868 20 5 CDBDRN CN1C[C@@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1=O ZINC001525386155 970953480 /nfs/dbraw/zinc/95/34/80/970953480.db2.gz 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PIMNCNICKUNEMW-SECBINFHSA-N 0 0 294.311 1.441 20 5 CDBDRN CC[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(C)C ZINC000299128743 200617818 /nfs/dbraw/zinc/61/78/18/200617818.db2.gz LGDCXAWQCVNKPU-SECBINFHSA-N 0 0 268.317 1.801 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000365978177 360734001 /nfs/dbraw/zinc/73/40/01/360734001.db2.gz VAAQWKBFLMLQNH-LBPRGKRZSA-N 0 0 283.715 1.994 20 5 CDBDRN CC(C)[C@@H](CCO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000223339453 360799824 /nfs/dbraw/zinc/79/98/24/360799824.db2.gz REWSZPBSSRQDNU-MRVPVSSYSA-N 0 0 255.274 1.060 20 5 CDBDRN Cc1n[nH]c(C(=O)N[C@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000299436746 200726144 /nfs/dbraw/zinc/72/61/44/200726144.db2.gz HVCNQPAEVLXVHM-SSDOTTSWSA-N 0 0 275.268 1.512 20 5 CDBDRN Cc1cn(CC(=O)N2CCC(C)CC2)nc1[N+](=O)[O-] ZINC000408420721 360892898 /nfs/dbraw/zinc/89/28/98/360892898.db2.gz ZMMCPOQMXBBGMI-UHFFFAOYSA-N 0 0 266.301 1.358 20 5 CDBDRN C[C@H]1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000248537008 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C[C@@H]1CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180057378 189235395 /nfs/dbraw/zinc/23/53/95/189235395.db2.gz VHTUWVRUFTVGFB-LLVKDONJSA-N 0 0 298.364 1.951 20 5 CDBDRN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000180581252 189263569 /nfs/dbraw/zinc/26/35/69/189263569.db2.gz DDBOWONJPFJNGW-DTORHVGOSA-N 0 0 279.296 1.426 20 5 CDBDRN CC(C)c1nncn1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345521086 361146732 /nfs/dbraw/zinc/14/67/32/361146732.db2.gz IVPVXTRERZZOOH-UHFFFAOYSA-N 0 0 292.299 1.068 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCO1 ZINC000301082147 200910329 /nfs/dbraw/zinc/91/03/29/200910329.db2.gz KNQVXDARKZSMIE-JTQLQIEISA-N 0 0 279.296 1.545 20 5 CDBDRN COC[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000180776636 189274429 /nfs/dbraw/zinc/27/44/29/189274429.db2.gz MZXUVPFKYGZPMV-ZETCQYMHSA-N 0 0 261.661 1.634 20 5 CDBDRN COC(=O)[C@]1(F)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000267608699 361206804 /nfs/dbraw/zinc/20/68/04/361206804.db2.gz AVYQUIOOQCULJS-AWEZNQCLSA-N 0 0 296.298 1.990 20 5 CDBDRN CO[C@@H](C)CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000180847778 189279407 /nfs/dbraw/zinc/27/94/07/189279407.db2.gz SLBOKEXVULPVEL-NSHDSACASA-N 0 0 295.339 1.938 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000179734012 238468657 /nfs/dbraw/zinc/46/86/57/238468657.db2.gz IGSKZPHICAEQAU-OCAPTIKFSA-N 0 0 264.285 1.056 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(-c2cccnc2)no1 ZINC000345629775 361276881 /nfs/dbraw/zinc/27/68/81/361276881.db2.gz DJMRLPYFWMDQCI-UHFFFAOYSA-N 0 0 272.224 1.440 20 5 CDBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[C@@H]1C ZINC000267709634 361330566 /nfs/dbraw/zinc/33/05/66/361330566.db2.gz STZWYWNOBUNAEV-RKDXNWHRSA-N 0 0 299.352 1.477 20 5 CDBDRN CN1CCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000265691251 370694780 /nfs/dbraw/zinc/69/47/80/370694780.db2.gz NMQDFUUJFCBWDA-ZDUSSCGKSA-N 0 0 275.308 1.578 20 5 CDBDRN CCCCNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000345664476 361368685 /nfs/dbraw/zinc/36/86/85/361368685.db2.gz MFAVLNLVZGXUMH-SNVBAGLBSA-N 0 0 297.359 1.744 20 5 CDBDRN CC(C)OC(=O)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000160232770 363788395 /nfs/dbraw/zinc/78/83/95/363788395.db2.gz ZWGQDENZBPKJMK-UHFFFAOYSA-N 0 0 298.270 1.805 20 5 CDBDRN CCn1cnnc1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301573775 201074880 /nfs/dbraw/zinc/07/48/80/201074880.db2.gz YZVABVIOIOCJLR-UHFFFAOYSA-N 0 0 279.275 2.000 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)OC ZINC000189064940 238725785 /nfs/dbraw/zinc/72/57/85/238725785.db2.gz DYQHUZWZIZLBNJ-QMMMGPOBSA-N 0 0 268.269 1.368 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](Oc2ccncc2)C1 ZINC000345689698 361398384 /nfs/dbraw/zinc/39/83/84/361398384.db2.gz JAIFURWJFFACHR-NSHDSACASA-N 0 0 289.295 1.381 20 5 CDBDRN CCOCCOCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345689841 361399432 /nfs/dbraw/zinc/39/94/32/361399432.db2.gz JVKUATKSQVLUGE-UHFFFAOYSA-N 0 0 285.300 1.048 20 5 CDBDRN Cc1nc(NCCOC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000301646907 201115170 /nfs/dbraw/zinc/11/51/70/201115170.db2.gz IHAKOQPMEGSJDQ-NSHDSACASA-N 0 0 281.312 1.906 20 5 CDBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CC12CC2 ZINC000519589849 361420130 /nfs/dbraw/zinc/42/01/30/361420130.db2.gz MHIYGEHCHGKAKP-MRVPVSSYSA-N 0 0 283.309 1.068 20 5 CDBDRN CO[C@@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000190755223 238829993 /nfs/dbraw/zinc/82/99/93/238829993.db2.gz GTKGVVBMNWDBMP-VIFPVBQESA-N 0 0 288.325 1.049 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCSC1=O ZINC000266102422 363797360 /nfs/dbraw/zinc/79/73/60/363797360.db2.gz KSHZZQXYYAGHOD-JTQLQIEISA-N 0 0 296.304 1.122 20 5 CDBDRN CC(=O)N1CC[C@@H](CN(C)c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000301872061 201242657 /nfs/dbraw/zinc/24/26/57/201242657.db2.gz WZWFWQIDYRWMBE-LBPRGKRZSA-N 0 0 292.339 1.603 20 5 CDBDRN Cc1cccc2nc(CNc3ncc([N+](=O)[O-])cn3)cn21 ZINC000302094043 201340532 /nfs/dbraw/zinc/34/05/32/201340532.db2.gz IEURXUXWYJEQBJ-UHFFFAOYSA-N 0 0 284.279 1.953 20 5 CDBDRN CCOC1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000455321026 252388868 /nfs/dbraw/zinc/38/88/68/252388868.db2.gz BJMWSXMMLKSNRM-UHFFFAOYSA-N 0 0 283.259 1.987 20 5 CDBDRN C[C@H]1C[C@@H](O)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000291853090 239258491 /nfs/dbraw/zinc/25/84/91/239258491.db2.gz HLNRUOZCLVAYIE-GWCFXTLKSA-N 0 0 293.323 1.650 20 5 CDBDRN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000303226782 239353469 /nfs/dbraw/zinc/35/34/69/239353469.db2.gz PSXTVMAETBQTQL-FUEXJSSKSA-N 0 0 294.282 1.730 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[C@@H]1O ZINC000361047591 363997261 /nfs/dbraw/zinc/99/72/61/363997261.db2.gz ZKKLGVJADZYMOV-QWRGUYRKSA-N 0 0 282.344 1.717 20 5 CDBDRN O=C(NC[C@@H]1COC2(CCCCCC2)O1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000367604857 364001334 /nfs/dbraw/zinc/00/13/34/364001334.db2.gz BMOMOOPTMLAZHP-IJLUTSLNSA-N 0 0 298.339 1.234 20 5 CDBDRN CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)[C@H](C)O ZINC000456271431 364075114 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O=C(COc1ccc([N+](=O)[O-])c(F)c1F)NC1CC1 ZINC000295890422 370743591 /nfs/dbraw/zinc/74/35/91/370743591.db2.gz HVHVWTCNAJFGPK-UHFFFAOYSA-N 0 0 272.207 1.530 20 5 CDBDRN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC000174559062 364234427 /nfs/dbraw/zinc/23/44/27/364234427.db2.gz JNZKSWKVVJDDIJ-ZCFIWIBFSA-N 0 0 295.686 1.857 20 5 CDBDRN COCC[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000174874195 364290860 /nfs/dbraw/zinc/29/08/60/364290860.db2.gz OIEBKPUNVJCNOM-CYBMUJFWSA-N 0 0 282.296 1.112 20 5 CDBDRN O=C1NC[C@@H]2[C@H]1CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000366889726 364292313 /nfs/dbraw/zinc/29/23/13/364292313.db2.gz XNXVTBJKCFHJDC-DGCLKSJQSA-N 0 0 275.308 1.305 20 5 CDBDRN Cc1cc(C(=O)N(C)CC[C@H](C)O)c(N)c([N+](=O)[O-])c1 ZINC000268159789 364354369 /nfs/dbraw/zinc/35/43/69/364354369.db2.gz XYTASDLLHMALOP-VIFPVBQESA-N 0 0 281.312 1.328 20 5 CDBDRN C[C@H]1[C@H](O)CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000295025356 291312522 /nfs/dbraw/zinc/31/25/22/291312522.db2.gz QZKVCKLEGDIXRP-OIBJUYFYSA-N 0 0 271.704 1.993 20 5 CDBDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000270132012 364468136 /nfs/dbraw/zinc/46/81/36/364468136.db2.gz SUKLLHUFVRYMPQ-ZANVPECISA-N 0 0 296.298 1.967 20 5 CDBDRN CCC1(CNC(=O)COc2ccccc2[N+](=O)[O-])COC1 ZINC000456504870 364471036 /nfs/dbraw/zinc/47/10/36/364471036.db2.gz KTKYOPJXWZVIGL-UHFFFAOYSA-N 0 0 294.307 1.516 20 5 CDBDRN NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000042096580 364500727 /nfs/dbraw/zinc/50/07/27/364500727.db2.gz WSDSEHMVKNUEIP-SNVBAGLBSA-N 0 0 253.233 1.188 20 5 CDBDRN C[C@H](CCCO)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000384394459 364594011 /nfs/dbraw/zinc/59/40/11/364594011.db2.gz OBQPWBDNECLKIW-MRVPVSSYSA-N 0 0 255.274 1.061 20 5 CDBDRN C[C@H](CCCO)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000295940204 370782954 /nfs/dbraw/zinc/78/29/54/370782954.db2.gz HMIVPZSWLRVDQP-SECBINFHSA-N 0 0 284.287 1.872 20 5 CDBDRN Cc1ccc(NCc2nc(N(C)C)no2)c([N+](=O)[O-])c1 ZINC000302267518 201425081 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CC(C)N1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000263742344 131320421 /nfs/dbraw/zinc/32/04/21/131320421.db2.gz RDQCQCDMMIMJRZ-NSHDSACASA-N 0 0 291.307 1.334 20 5 CDBDRN O=C1NC[C@@H](COc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000263875679 131350908 /nfs/dbraw/zinc/35/09/08/131350908.db2.gz PHQWZVSKKLUGNO-ZETCQYMHSA-N 0 0 272.644 1.735 20 5 CDBDRN CNC(=O)c1ccc(NCC[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000263939729 131365379 /nfs/dbraw/zinc/36/53/79/131365379.db2.gz XVTFDRIRCYECKX-SECBINFHSA-N 0 0 281.312 1.791 20 5 CDBDRN CCCCc1nc(Cn2nccc2[N+](=O)[O-])no1 ZINC000264037600 131384660 /nfs/dbraw/zinc/38/46/60/131384660.db2.gz AYZOADGPSWDKJI-UHFFFAOYSA-N 0 0 251.246 1.565 20 5 CDBDRN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442547666 392426312 /nfs/dbraw/zinc/42/63/12/392426312.db2.gz LZNRFCLUZXJXSV-KOLCDFICSA-N 0 0 291.307 1.838 20 5 CDBDRN Cc1cc(NCCCN2C(=O)CNC2=O)ccc1[N+](=O)[O-] ZINC000264429077 131449392 /nfs/dbraw/zinc/44/93/92/131449392.db2.gz BYTFAMHCAOESEO-UHFFFAOYSA-N 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CC(C)c1[nH]nc(C(=O)OCC(=O)CC2CC2)c1[N+](=O)[O-] ZINC000796256876 757803282 /nfs/dbraw/zinc/80/32/82/757803282.db2.gz OPCFMBSCOPSMBF-UHFFFAOYSA-N 0 0 295.295 1.967 20 5 CDBDRN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)C(C)=O ZINC000873340105 757804909 /nfs/dbraw/zinc/80/49/09/757804909.db2.gz PCLNEYFNPNEHEW-SECBINFHSA-N 0 0 254.242 1.458 20 5 CDBDRN CCOC(=O)[C@H](F)[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000882571711 757811196 /nfs/dbraw/zinc/81/11/96/757811196.db2.gz RFJDHOBQFRQHEZ-BXKDBHETSA-N 0 0 297.286 1.717 20 5 CDBDRN Cn1nccc1[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000800859108 757813018 /nfs/dbraw/zinc/81/30/18/757813018.db2.gz GYWZAMIPKBQOKI-LLVKDONJSA-N 0 0 290.327 1.362 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000843636487 757820557 /nfs/dbraw/zinc/82/05/57/757820557.db2.gz LITWXKBAFGDZPM-IJLUTSLNSA-N 0 0 261.281 1.063 20 5 CDBDRN CC(C)[C@](C)(O)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881971983 757828571 /nfs/dbraw/zinc/82/85/71/757828571.db2.gz 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC000848070516 758360976 /nfs/dbraw/zinc/36/09/76/758360976.db2.gz PIOOWSWRRCLUPD-CHWSQXEVSA-N 0 0 273.292 1.363 20 5 CDBDRN Nc1ccc(NC(=O)[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000854497689 758377029 /nfs/dbraw/zinc/37/70/29/758377029.db2.gz VBELQUXGOIFSQP-LLVKDONJSA-N 0 0 263.253 1.808 20 5 CDBDRN O=C(NC1CC(CCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000889990847 758388318 /nfs/dbraw/zinc/38/83/18/758388318.db2.gz NXYIKUNGPGEHOM-UHFFFAOYSA-N 0 0 282.271 1.625 20 5 CDBDRN CC(C)(CCC(=O)NC1COC(C)(C)OC1)[N+](=O)[O-] ZINC000828405661 758390707 /nfs/dbraw/zinc/39/07/07/758390707.db2.gz ONNXVFFSYATNFJ-UHFFFAOYSA-N 0 0 274.317 1.090 20 5 CDBDRN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](C2CC2)C1 ZINC000828072537 758393939 /nfs/dbraw/zinc/39/39/39/758393939.db2.gz DCKSLCJHXQCSMW-JSGCOSHPSA-N 0 0 290.319 1.887 20 5 CDBDRN CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000775593743 758415981 /nfs/dbraw/zinc/41/59/81/758415981.db2.gz 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CO[C@@H]1COC[C@H]1Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601181512 342488917 /nfs/dbraw/zinc/48/89/17/342488917.db2.gz LYEUENBBHBCWTO-ZIAGYGMSSA-N 0 0 289.291 1.391 20 5 CDBDRN CC1(C)CCC(C)(C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000600226313 341987236 /nfs/dbraw/zinc/98/72/36/341987236.db2.gz OGLZASGPVQKBJV-UHFFFAOYSA-N 0 0 295.343 1.614 20 5 CDBDRN CS(=O)(=O)C1(CNc2cccnc2[N+](=O)[O-])CCCC1 ZINC000588079839 342492245 /nfs/dbraw/zinc/49/22/45/342492245.db2.gz CGEHVHIRCPHNFE-UHFFFAOYSA-N 0 0 299.352 1.759 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000618337586 342482953 /nfs/dbraw/zinc/48/29/53/342482953.db2.gz LESGXGJORNVZDE-CMPLNLGQSA-N 0 0 295.295 1.902 20 5 CDBDRN Cc1nc(NC(=O)c2cc3ncccn3n2)ccc1[N+](=O)[O-] ZINC000589832722 342515002 /nfs/dbraw/zinc/51/50/02/342515002.db2.gz HQYWHETWLFWDNP-UHFFFAOYSA-N 0 0 298.262 1.593 20 5 CDBDRN Cc1cc(NC[C@H]2CCN(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000589102020 342497032 /nfs/dbraw/zinc/49/70/32/342497032.db2.gz 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342545131 /nfs/dbraw/zinc/54/51/31/342545131.db2.gz JIMGKXBSMYZWPX-NWDGAFQWSA-N 0 0 262.265 1.137 20 5 CDBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590421613 342545133 /nfs/dbraw/zinc/54/51/33/342545133.db2.gz RQAPKEQDXJHKPH-WDNDVIMCSA-N 0 0 290.319 1.224 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000590426056 342545228 /nfs/dbraw/zinc/54/52/28/342545228.db2.gz GJQVGUNQAKUOAJ-JGVFFNPUSA-N 0 0 280.284 1.055 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H]2C[C@H]21 ZINC000590426534 342545236 /nfs/dbraw/zinc/54/52/36/342545236.db2.gz HCACIRSXOWUXGD-NEPJUHHUSA-N 0 0 262.265 1.137 20 5 CDBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H]2C[C@@H]21 ZINC000590432443 342545364 /nfs/dbraw/zinc/54/53/64/342545364.db2.gz LJKLVLGSQQISCD-NWDGAFQWSA-N 0 0 294.332 1.687 20 5 CDBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H]2C[C@H]21 ZINC000590432439 342545382 /nfs/dbraw/zinc/54/53/82/342545382.db2.gz LJKLVLGSQQISCD-NEPJUHHUSA-N 0 0 294.332 1.687 20 5 CDBDRN Cc1c(C(=O)N2CCO[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590435966 342545709 /nfs/dbraw/zinc/54/57/09/342545709.db2.gz RVMCMPNSCJGKBY-NWDGAFQWSA-N 0 0 262.265 1.517 20 5 CDBDRN CCN(CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000048041029 341999012 /nfs/dbraw/zinc/99/90/12/341999012.db2.gz JYVBKPLTRUVRMZ-UHFFFAOYSA-N 0 0 265.313 1.505 20 5 CDBDRN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000601239998 342538860 /nfs/dbraw/zinc/53/88/60/342538860.db2.gz OXDWQAPTMIVYIO-BDAKNGLRSA-N 0 0 282.271 1.889 20 5 CDBDRN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000043269463 342002940 /nfs/dbraw/zinc/00/29/40/342002940.db2.gz COAKNEKPOPSPRX-UHFFFAOYSA-N 0 0 274.280 1.844 20 5 CDBDRN CC[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000601384574 342558942 /nfs/dbraw/zinc/55/89/42/342558942.db2.gz CKNRBXJLPCXXSZ-KWQFWETISA-N 0 0 282.271 1.577 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC=CC2)cc1C ZINC000601438881 342562773 /nfs/dbraw/zinc/56/27/73/342562773.db2.gz 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BRBSBDBJUGVODU-VIFPVBQESA-N 0 0 289.291 1.908 20 5 CDBDRN Nc1c(C(=O)N2CCC[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000286831477 358012452 /nfs/dbraw/zinc/01/24/52/358012452.db2.gz OQEKSNPVBPSQIM-CYBMUJFWSA-N 0 0 297.286 1.114 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)N2CC(CO)C2)cc1[N+](=O)[O-] ZINC000189465963 358015073 /nfs/dbraw/zinc/01/50/73/358015073.db2.gz QTUUDPYDZIAWMM-JTQLQIEISA-N 0 0 293.323 1.598 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC[C@@H](O)CC(C)(C)C ZINC000227357184 358019759 /nfs/dbraw/zinc/01/97/59/358019759.db2.gz LGUHRGCXTQBUFJ-QMMMGPOBSA-N 0 0 256.306 1.537 20 5 CDBDRN CCC[C@@H](O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000126336903 535387525 /nfs/dbraw/zinc/38/75/25/535387525.db2.gz ICYXAEZMVMCWAJ-LLVKDONJSA-N 0 0 270.260 1.625 20 5 CDBDRN CCCN1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000264687835 358051255 /nfs/dbraw/zinc/05/12/55/358051255.db2.gz SAWVODMXQRPMJM-UHFFFAOYSA-N 0 0 295.343 1.048 20 5 CDBDRN CO[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000294568241 199090225 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O=[N+]([O-])c1cnn(CCNc2ncc([N+](=O)[O-])s2)c1 ZINC000192498553 358208740 /nfs/dbraw/zinc/20/87/40/358208740.db2.gz RSKMJKYAAOMLMN-UHFFFAOYSA-N 0 0 284.257 1.268 20 5 CDBDRN CCc1n[nH]c(C(=O)N(CC(F)F)C(C)C)c1[N+](=O)[O-] ZINC000192785845 358235749 /nfs/dbraw/zinc/23/57/49/358235749.db2.gz ULAUECDDRHQBKC-UHFFFAOYSA-N 0 0 290.270 1.996 20 5 CDBDRN CCN(C[C@@H]1CCOC1)c1ncccc1[N+](=O)[O-] ZINC000610946482 358237042 /nfs/dbraw/zinc/23/70/42/358237042.db2.gz MLRSTJRAMAIAFH-JTQLQIEISA-N 0 0 251.286 1.853 20 5 CDBDRN CN(C[C@@H]1CCOC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000192798510 358237438 /nfs/dbraw/zinc/23/74/38/358237438.db2.gz HHZNOAZHDKBRIG-VIFPVBQESA-N 0 0 251.286 1.650 20 5 CDBDRN C[C@@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000337774109 358279579 /nfs/dbraw/zinc/27/95/79/358279579.db2.gz WTMHRLBJUWELLR-MRVPVSSYSA-N 0 0 295.320 1.627 20 5 CDBDRN CCc1nn(C)c(N2CC(n3ccnc3)C2)c1[N+](=O)[O-] ZINC000566641493 358250855 /nfs/dbraw/zinc/25/08/55/358250855.db2.gz YYCWCLKXOBLFOA-UHFFFAOYSA-N 0 0 276.300 1.149 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(CO)CC1 ZINC000135353475 358259797 /nfs/dbraw/zinc/25/97/97/358259797.db2.gz NJPLYTSSKJMRGK-UHFFFAOYSA-N 0 0 278.308 1.368 20 5 CDBDRN Cn1cnc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193066304 358261953 /nfs/dbraw/zinc/26/19/53/358261953.db2.gz WZKMSHUCRBWXFP-ZDUSSCGKSA-N 0 0 287.323 1.891 20 5 CDBDRN Cc1n[nH]c(C(=O)NCCc2ccccc2)c1[N+](=O)[O-] ZINC000039276475 358265284 /nfs/dbraw/zinc/26/52/84/358265284.db2.gz XJTCPWLMMWEWJU-UHFFFAOYSA-N 0 0 274.280 1.599 20 5 CDBDRN O=C(NCCCCO)c1cccc(Cl)c1[N+](=O)[O-] ZINC000193283905 358280590 /nfs/dbraw/zinc/28/05/90/358280590.db2.gz MAPREORCAMKVNM-UHFFFAOYSA-N 0 0 272.688 1.751 20 5 CDBDRN C[C@H]1CCNC(=O)[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000193527743 358301430 /nfs/dbraw/zinc/30/14/30/358301430.db2.gz BICCQOQVKBHLIB-WRWORJQWSA-N 0 0 267.260 1.670 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1NC[C@H](O)[C@H]1CCOC1)CCN2 ZINC000436390311 358314088 /nfs/dbraw/zinc/31/40/88/358314088.db2.gz PPLWZSQJBBHHOR-ZANVPECISA-N 0 0 293.323 1.372 20 5 CDBDRN CC[C@H](CSC)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193804491 358324324 /nfs/dbraw/zinc/32/43/24/358324324.db2.gz JEQOZGPLTUDWBD-SECBINFHSA-N 0 0 299.352 1.909 20 5 CDBDRN CCCCOC(=O)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194613500 358383361 /nfs/dbraw/zinc/38/33/61/358383361.db2.gz YZOKZSDKLYCHCU-UHFFFAOYSA-N 0 0 294.307 1.976 20 5 CDBDRN O=Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCNC(=O)CC1 ZINC000294888461 199232483 /nfs/dbraw/zinc/23/24/83/199232483.db2.gz CTMDBVJUXHZOOB-JTQLQIEISA-N 0 0 292.291 1.702 20 5 CDBDRN CCc1nn(C)c(N2CC[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000395387625 358413172 /nfs/dbraw/zinc/41/31/72/358413172.db2.gz OANCDMQLRQYNCT-JTQLQIEISA-N 0 0 296.371 1.878 20 5 CDBDRN CC[C@@H](CO)N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000294897829 199236624 /nfs/dbraw/zinc/23/66/24/199236624.db2.gz HXDWJCJCTKWCEA-JTQLQIEISA-N 0 0 293.323 1.687 20 5 CDBDRN C[C@H](O)CN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000361837275 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0 0 294.355 1.821 20 5 CDBDRN CC[C@H](CN1CCOCC1)Nc1nccc(C)c1[N+](=O)[O-] ZINC000895804342 619853175 /nfs/dbraw/zinc/85/31/75/619853175.db2.gz KAMKVJCXTJFXSR-GFCCVEGCSA-N 0 0 294.355 1.821 20 5 CDBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCOCN1 ZINC000895925112 619903027 /nfs/dbraw/zinc/90/30/27/619903027.db2.gz TYYQAEGREYRMQP-UHFFFAOYSA-N 0 0 277.202 1.912 20 5 CDBDRN Cc1cc(N(C)[C@H]2CCC(=O)N(C)C2)ncc1[N+](=O)[O-] ZINC000895952768 619919961 /nfs/dbraw/zinc/91/99/61/619919961.db2.gz JFUFVVOUYBSWDC-JTQLQIEISA-N 0 0 278.312 1.355 20 5 CDBDRN C[C@H]1COCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000025480427 619947569 /nfs/dbraw/zinc/94/75/69/619947569.db2.gz XIEAFNDUXWNCHW-JTQLQIEISA-N 0 0 276.296 1.623 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCS(=O)CC2)c1C ZINC000896165444 620013277 /nfs/dbraw/zinc/01/32/77/620013277.db2.gz MQJVYMMJVGYSSR-UHFFFAOYSA-N 0 0 296.348 1.416 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCc1cnn(CC2CCC2)c1 ZINC000896784210 620232618 /nfs/dbraw/zinc/23/26/18/620232618.db2.gz XAIFGBHWDFZOHU-UHFFFAOYSA-N 0 0 290.327 1.937 20 5 CDBDRN Cc1nc(N2CCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000897006691 620340765 /nfs/dbraw/zinc/34/07/65/620340765.db2.gz JAXMEWOEPNEOMH-NSHDSACASA-N 0 0 279.296 1.640 20 5 CDBDRN O=[N+]([O-])c1cnn(Cc2nc(CCCCF)no2)c1 ZINC000897210989 620420202 /nfs/dbraw/zinc/42/02/02/620420202.db2.gz JCAIJGGEGZDEGC-UHFFFAOYSA-N 0 0 269.236 1.515 20 5 CDBDRN COCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021678713 620516638 /nfs/dbraw/zinc/51/66/38/620516638.db2.gz PPPNIMMHYFSJCC-MRVPVSSYSA-N 0 0 282.252 1.111 20 5 CDBDRN C[C@H]1COC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000928902886 620607146 /nfs/dbraw/zinc/60/71/46/620607146.db2.gz SRNQKRPZMNKGCW-CABZTGNLSA-N 0 0 264.281 1.288 20 5 CDBDRN Cc1c(CC(=O)N[C@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928904519 620608669 /nfs/dbraw/zinc/60/86/69/620608669.db2.gz MRLNWPIGVQUCBT-CABZTGNLSA-N 0 0 278.308 1.597 20 5 CDBDRN O=C(N[C@@H]1CCOC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000130173323 620856091 /nfs/dbraw/zinc/85/60/91/620856091.db2.gz NQYLHLXTAANSMC-SSDOTTSWSA-N 0 0 270.672 1.767 20 5 CDBDRN COc1cc(CN2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000897683769 621072215 /nfs/dbraw/zinc/07/22/15/621072215.db2.gz GRPSTMPTONDAAS-CABZTGNLSA-N 0 0 296.323 1.425 20 5 CDBDRN O=C(CCO)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000902883059 625569914 /nfs/dbraw/zinc/56/99/14/625569914.db2.gz BQYWGSFOLXCUDO-UHFFFAOYSA-N 0 0 294.307 1.347 20 5 CDBDRN C[C@@]1(c2cc(F)cc(F)c2)NC(=O)N(CC[N+](=O)[O-])C1=O ZINC000899877442 622501292 /nfs/dbraw/zinc/50/12/92/622501292.db2.gz JJFBRTWUCYTUPD-LBPRGKRZSA-N 0 0 299.233 1.009 20 5 CDBDRN O=[N+]([O-])CCn1ccnc1[C@H](O)c1ccc(F)cc1 ZINC000899883999 622505836 /nfs/dbraw/zinc/50/58/36/622505836.db2.gz WCVJPOGVYMCWOI-LLVKDONJSA-N 0 0 265.244 1.381 20 5 CDBDRN O=[N+]([O-])CCn1ccnc1[C@@H](O)c1cccs1 ZINC000899883840 622506328 /nfs/dbraw/zinc/50/63/28/622506328.db2.gz TYSOMHIBITZZCJ-VIFPVBQESA-N 0 0 253.283 1.303 20 5 CDBDRN C[C@]1(c2ccc(F)cc2)CC(=O)N(CC[N+](=O)[O-])C1=O ZINC000899885335 622507072 /nfs/dbraw/zinc/50/70/72/622507072.db2.gz MFKNUSFAUASGAG-CYBMUJFWSA-N 0 0 280.255 1.119 20 5 CDBDRN O=C(CSC1COC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000901645066 624388381 /nfs/dbraw/zinc/38/83/81/624388381.db2.gz PXBLGGCSMFMMRO-UHFFFAOYSA-N 0 0 294.332 1.616 20 5 CDBDRN C[C@H]1CNC(=O)N(Cc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000902158586 624501390 /nfs/dbraw/zinc/50/13/90/624501390.db2.gz UVRQYUCZZWEVSS-ZETCQYMHSA-N 0 0 281.243 1.422 20 5 CDBDRN O=C(COc1c(F)cc(F)cc1[N+](=O)[O-])NC1CC1 ZINC000902698664 625207802 /nfs/dbraw/zinc/20/78/02/625207802.db2.gz QLQJCRXIHTVEEQ-UHFFFAOYSA-N 0 0 272.207 1.530 20 5 CDBDRN CN(C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21)c1ccc([N+](=O)[O-])nc1 ZINC000905024262 626389880 /nfs/dbraw/zinc/38/98/80/626389880.db2.gz KJZTUSQCZOHHOU-GGZOMVNGSA-N 0 0 275.264 1.178 20 5 CDBDRN CC[C@@H](C)Oc1cc(CNCC[N+](=O)[O-])ccn1 ZINC000905199488 626687465 /nfs/dbraw/zinc/68/74/65/626687465.db2.gz 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/nfs/dbraw/zinc/76/88/18/629768818.db2.gz CAHGVZFIHFYUTK-JTQLQIEISA-N 0 0 290.197 1.956 20 5 CDBDRN C[C@@H]1CCCCN1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000912157767 629804385 /nfs/dbraw/zinc/80/43/85/629804385.db2.gz WKAZOFOLPUSCDS-SECBINFHSA-N 0 0 266.301 1.453 20 5 CDBDRN Cn1c(C(=O)OCc2nc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000913389258 630459632 /nfs/dbraw/zinc/45/96/32/630459632.db2.gz QNSUSXMVWFZHDO-UHFFFAOYSA-N 0 0 292.251 1.551 20 5 CDBDRN C[C@@H](Cc1ccco1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000914743487 631559781 /nfs/dbraw/zinc/55/97/81/631559781.db2.gz UPUVFHCIHREFTH-VIFPVBQESA-N 0 0 277.280 1.887 20 5 CDBDRN COC[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(F)(F)F ZINC000835242052 631591943 /nfs/dbraw/zinc/59/19/43/631591943.db2.gz UXPQEWWKEBDKHH-ZETCQYMHSA-N 0 0 287.234 1.942 20 5 CDBDRN Cn1cnnc1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209207 631613159 /nfs/dbraw/zinc/61/31/59/631613159.db2.gz WSNKVNLIYAZYQI-UHFFFAOYSA-N 0 0 290.308 1.945 20 5 CDBDRN COCCn1cnnc1SCc1cccnc1[N+](=O)[O-] ZINC000915431363 631722408 /nfs/dbraw/zinc/72/24/08/631722408.db2.gz JYZSNFJMQPAJNP-UHFFFAOYSA-N 0 0 295.324 1.520 20 5 CDBDRN CCCC(=O)NC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000917452094 632219818 /nfs/dbraw/zinc/21/98/18/632219818.db2.gz NWQZOYMWLXZDAP-UHFFFAOYSA-N 0 0 295.343 1.130 20 5 CDBDRN CNC(=S)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000917597822 632250953 /nfs/dbraw/zinc/25/09/53/632250953.db2.gz SLMVOUZPRZVRCT-UHFFFAOYSA-N 0 0 255.299 1.197 20 5 CDBDRN CC(=O)OCCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000917838627 632288076 /nfs/dbraw/zinc/28/80/76/632288076.db2.gz WPTHYLCVSHWKIV-UHFFFAOYSA-N 0 0 254.242 1.549 20 5 CDBDRN CN(Cc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cn1 ZINC000918184872 632339136 /nfs/dbraw/zinc/33/91/36/632339136.db2.gz UYIJMWDNIQKQBK-UHFFFAOYSA-N 0 0 286.291 1.725 20 5 CDBDRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccnc1[N+](=O)[O-] ZINC000918342079 632358437 /nfs/dbraw/zinc/35/84/37/632358437.db2.gz AQTXKWJPSLCPRV-UWVGGRQHSA-N 0 0 266.301 1.486 20 5 CDBDRN C[C@@H](O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000919742876 632666692 /nfs/dbraw/zinc/66/66/92/632666692.db2.gz CFIMFKFDDUEWFI-SECBINFHSA-N 0 0 289.291 1.906 20 5 CDBDRN O=[N+]([O-])c1cnn(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000919953775 632699940 /nfs/dbraw/zinc/69/99/40/632699940.db2.gz MBXUZZQEVPSQSO-CYBMUJFWSA-N 0 0 273.296 1.981 20 5 CDBDRN Cc1nn(C)c(C(=O)OC/C=C/Cl)c1[N+](=O)[O-] ZINC000920661118 632816779 /nfs/dbraw/zinc/81/67/79/632816779.db2.gz PJHBMRKEMVQFJJ-ONEGZZNKSA-N 0 0 259.649 1.546 20 5 CDBDRN Cc1c(CC[NH3+])c(=O)[n-]n1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001170338083 1162345551 /nfs/dbraw/zinc/34/55/51/1162345551.db2.gz NFXZPNOXFLMODO-UHFFFAOYSA-N 0 0 297.702 1.344 20 5 CDBDRN Cc1c(CC[NH3+])c(=O)[n-]n1-c1cc([N+](=O)[O-])cc(F)c1C ZINC001170344027 1162348204 /nfs/dbraw/zinc/34/82/04/1162348204.db2.gz AFRYYCCNBCIJBC-UHFFFAOYSA-N 0 0 294.286 1.743 20 5 CDBDRN N=c1cc(C[NH3+])ccn1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001167693587 1159463882 /nfs/dbraw/zinc/46/38/82/1159463882.db2.gz VSMYESPJSHDWEB-UHFFFAOYSA-N 0 0 288.263 1.022 20 5 CDBDRN C[C@@](Cc1ccc(F)cc1)([NH2+]CC[N+](=O)[O-])C(=O)[O-] ZINC001604223195 1163129557 /nfs/dbraw/zinc/12/95/57/1163129557.db2.gz XACQOKGMLMJKPW-LBPRGKRZSA-N 0 0 270.260 1.078 20 5 CDBDRN C[C@@]([NH2+]CCCCO)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604343581 1163159393 /nfs/dbraw/zinc/15/93/93/1163159393.db2.gz VIICIWJMPMCNEN-ZDUSSCGKSA-N 0 0 282.296 1.257 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC1CC=CC1 ZINC001607083687 1164072145 /nfs/dbraw/zinc/07/21/45/1164072145.db2.gz LKDIIDJTWNKAJI-UHFFFAOYSA-N 0 0 272.268 1.905 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCOCCF ZINC001607080178 1164072497 /nfs/dbraw/zinc/07/24/97/1164072497.db2.gz STYVLGQFYWCCMM-UHFFFAOYSA-N 0 0 296.262 1.173 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC1CSC1 ZINC001607084516 1164072696 /nfs/dbraw/zinc/07/26/96/1164072696.db2.gz JYNPKTPQQYBQLI-UHFFFAOYSA-N 0 0 292.324 1.550 20 5 CDBDRN O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCC1(O)CCC1 ZINC001607088232 1164073897 /nfs/dbraw/zinc/07/38/97/1164073897.db2.gz IRFXFSAGBLPXTE-UHFFFAOYSA-N 0 0 296.312 1.163 20 5 CDBDRN O=c1nc2nc[nH]c2c(Nc2cc([N+](=O)[O-])ccn2)[nH]1 ZINC001159192070 1164091969 /nfs/dbraw/zinc/09/19/69/1164091969.db2.gz ITVOJXXVMPBWOO-UHFFFAOYSA-N 0 0 273.212 1.105 20 5 CDBDRN C[C@H]([NH2+]C[C@@](C)(O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001607460842 1164189249 /nfs/dbraw/zinc/18/92/49/1164189249.db2.gz PDLRIQZNTFROKC-QPUJVOFHSA-N 0 0 268.269 1.081 20 5 CDBDRN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC001608914464 1164682853 /nfs/dbraw/zinc/68/28/53/1164682853.db2.gz RWRDLBTVTGVGLL-GFCCVEGCSA-N 0 0 294.307 1.640 20 5 CDBDRN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CO1 ZINC001609158394 1164806438 /nfs/dbraw/zinc/80/64/38/1164806438.db2.gz YPVHZUJKYZVYIH-YUMQZZPRSA-N 0 0 290.283 1.364 20 5 CDBDRN O=[N+]([O-])c1cnc(NC2CC(F)(F)C2)c(-c2nn[nH]n2)c1 ZINC001609603487 1165000785 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ZINC000887379147 782833525 /nfs/dbraw/zinc/83/35/25/782833525.db2.gz HHHKFSSYSSLUII-UHFFFAOYSA-N 0 0 280.328 1.803 20 5 CDBDRN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000889361027 782892516 /nfs/dbraw/zinc/89/25/16/782892516.db2.gz BZAHRAFTWGGQPY-WCBMZHEXSA-N 0 0 267.285 1.183 20 5 CDBDRN COCc1csc(C(=O)O[C@@H](C)C[N+](=O)[O-])c1 ZINC000851046168 782899322 /nfs/dbraw/zinc/89/93/22/782899322.db2.gz OOYGVODCVVBDHP-ZETCQYMHSA-N 0 0 259.283 1.717 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCO ZINC000843868573 782922424 /nfs/dbraw/zinc/92/24/24/782922424.db2.gz FVISQHOMBWPUQG-UHFFFAOYSA-N 0 0 270.260 1.545 20 5 CDBDRN CC(C)(CCC(=O)N[C@@]1(C)CCO[C@H]1C1CC1)[N+](=O)[O-] ZINC000829139799 782983854 /nfs/dbraw/zinc/98/38/54/782983854.db2.gz JIPMJJZFEGATCB-JSGCOSHPSA-N 0 0 284.356 1.896 20 5 CDBDRN CC1(O)CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804562107 782992528 /nfs/dbraw/zinc/99/25/28/782992528.db2.gz FBYBHRCJXVYZGM-UHFFFAOYSA-N 0 0 253.214 1.074 20 5 CDBDRN C[C@@H]1COCC[C@@H]1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000835777414 782999915 /nfs/dbraw/zinc/99/99/15/782999915.db2.gz CEKSNAGXFSMJQR-MFKMUULPSA-N 0 0 295.291 1.942 20 5 CDBDRN C[C@](O)(CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000819915947 783020860 /nfs/dbraw/zinc/02/08/60/783020860.db2.gz FLQAUCYYCXGHOL-ZDUSSCGKSA-N 0 0 279.296 1.667 20 5 CDBDRN COC(C)(C)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000135261824 783024841 /nfs/dbraw/zinc/02/48/41/783024841.db2.gz IYHHUCKUPDCUBJ-UHFFFAOYSA-N 0 0 266.257 1.968 20 5 CDBDRN COc1ccc(C(=O)NC[C@H]2CC(C)=NO2)cc1[N+](=O)[O-] ZINC000854787927 783028031 /nfs/dbraw/zinc/02/80/31/783028031.db2.gz DZIVWOOKWXQKAX-SNVBAGLBSA-N 0 0 293.279 1.498 20 5 CDBDRN Nc1ccc(NC(=O)NCC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000823993137 783038170 /nfs/dbraw/zinc/03/81/70/783038170.db2.gz ABICSSNUVWZOMB-UHFFFAOYSA-N 0 0 294.311 1.604 20 5 CDBDRN Cc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)nn1C ZINC000133042157 783045414 /nfs/dbraw/zinc/04/54/14/783045414.db2.gz YTMPUPHECOGBTE-UHFFFAOYSA-N 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CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001068431354 780855354 /nfs/dbraw/zinc/85/53/54/780855354.db2.gz AGUXKJYRQUFLKB-XYPYZODXSA-N 0 0 278.312 1.625 20 5 CDBDRN Nc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000788600394 780859772 /nfs/dbraw/zinc/85/97/72/780859772.db2.gz GZYLNQHJHGAMTP-UHFFFAOYSA-N 0 0 297.658 1.143 20 5 CDBDRN C[C@H](COC(=O)c1cn(C)nc1-c1ccoc1)[N+](=O)[O-] ZINC000813108057 780860619 /nfs/dbraw/zinc/86/06/19/780860619.db2.gz USPBIBMRELGWRY-MRVPVSSYSA-N 0 0 279.252 1.502 20 5 CDBDRN CCCNC(=O)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881770958 780868299 /nfs/dbraw/zinc/86/82/99/780868299.db2.gz DAFTVESZEWGFFK-UHFFFAOYSA-N 0 0 256.237 1.067 20 5 CDBDRN C[C@@H]1CC=CC[C@@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000126763764 780883128 /nfs/dbraw/zinc/88/31/28/780883128.db2.gz WOZVNQXZCBUEBX-GHMZBOCLSA-N 0 0 279.296 1.937 20 5 CDBDRN CCOC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839777032 780942883 /nfs/dbraw/zinc/94/28/83/780942883.db2.gz 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Nc1nc(NC2(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC001157720079 938536161 /nfs/dbraw/zinc/53/61/61/938536161.db2.gz ZKNVPJOZEBZUIY-UHFFFAOYSA-N 0 0 272.268 1.463 20 5 CDBDRN O=[N+]([O-])c1ccc2nc(NCCn3cnnc3)cnc2c1 ZINC001158031698 938576458 /nfs/dbraw/zinc/57/64/58/938576458.db2.gz OSCIZSMGYCSJHL-UHFFFAOYSA-N 0 0 285.267 1.242 20 5 CDBDRN O=[N+]([O-])c1cccc2ccc(NCC3OCCO3)nc21 ZINC001158198870 938593824 /nfs/dbraw/zinc/59/38/24/938593824.db2.gz VZEKSTVZOVKHAM-UHFFFAOYSA-N 0 0 275.264 1.928 20 5 CDBDRN CC(C)c1ccc(C(=O)Nn2ccnn2)cc1[N+](=O)[O-] ZINC001158872979 938675098 /nfs/dbraw/zinc/67/50/98/938675098.db2.gz KONOIHJFAKELKR-UHFFFAOYSA-N 0 0 275.268 1.694 20 5 CDBDRN Cc1nc(N[C@@H]2c3ccccc3CNC2=O)ncc1[N+](=O)[O-] ZINC001158906625 938677421 /nfs/dbraw/zinc/67/74/21/938677421.db2.gz QMINDFRNEHZRPC-GFCCVEGCSA-N 0 0 299.290 1.476 20 5 CDBDRN CC(C)NC(=O)[C@@H](Nc1cc(N)c([N+](=O)[O-])cn1)C(C)C ZINC001159168996 938707833 /nfs/dbraw/zinc/70/78/33/938707833.db2.gz RGXBVVRTEYQKGR-LBPRGKRZSA-N 0 0 295.343 1.533 20 5 CDBDRN Nc1cc([N+](=O)[O-])cnc1NCc1nccc(Cl)n1 ZINC001159479503 938731078 /nfs/dbraw/zinc/73/10/78/938731078.db2.gz TWEXRAUBSZXLBE-UHFFFAOYSA-N 0 0 280.675 1.628 20 5 CDBDRN COc1nc(N[C@@H]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC001159710604 938746524 /nfs/dbraw/zinc/74/65/24/938746524.db2.gz ZPDQRRCKUDGROF-HTQZYQBOSA-N 0 0 268.273 1.230 20 5 CDBDRN CC(=O)N1CC(Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001159932273 938761125 /nfs/dbraw/zinc/76/11/25/938761125.db2.gz QNQJODCAAWGNJR-UHFFFAOYSA-N 0 0 286.291 1.786 20 5 CDBDRN CCOc1nc(NC2CN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC001159934779 938761453 /nfs/dbraw/zinc/76/14/53/938761453.db2.gz PVTXAQNLGOJSIV-UHFFFAOYSA-N 0 0 280.284 1.031 20 5 CDBDRN COc1cc(NCCc2cnc(N)s2)ncc1[N+](=O)[O-] ZINC001160379135 938783238 /nfs/dbraw/zinc/78/32/38/938783238.db2.gz PVTUQEVQUKSGAA-UHFFFAOYSA-N 0 0 295.324 1.692 20 5 CDBDRN C[C@@](CO)(Nc1cc([N+](=O)[O-])cc[n+]1[O-])c1ccccc1 ZINC001160437246 938787054 /nfs/dbraw/zinc/78/70/54/938787054.db2.gz ZGLIZTNZXFIZKP-AWEZNQCLSA-N 0 0 289.291 1.548 20 5 CDBDRN COC(=O)C[C@@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001160531874 938796639 /nfs/dbraw/zinc/79/66/39/938796639.db2.gz GMGXGUNAOCUOPY-SSDOTTSWSA-N 0 0 297.267 1.140 20 5 CDBDRN COc1cc(NCC[C@@H](C)CO)ncc1[N+](=O)[O-] ZINC001160603584 938803676 /nfs/dbraw/zinc/80/36/76/938803676.db2.gz LYHZYOZDSWJXKY-MRVPVSSYSA-N 0 0 255.274 1.429 20 5 CDBDRN CC(=O)NC[C@@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC001160653876 938808042 /nfs/dbraw/zinc/80/80/42/938808042.db2.gz TVYLABBLIKOVNL-MRVPVSSYSA-N 0 0 266.301 1.482 20 5 CDBDRN COC(=O)[C@H]1C[C@H]1CNc1ncc(OC)cc1[N+](=O)[O-] ZINC001161040313 938862047 /nfs/dbraw/zinc/86/20/47/938862047.db2.gz GGGMPONBCDDGRD-CBAPKCEASA-N 0 0 281.268 1.219 20 5 CDBDRN CNc1cc([N+](=O)[O-])cnc1NCc1nccn1C ZINC001161910032 938942171 /nfs/dbraw/zinc/94/21/71/938942171.db2.gz JMXOZJYDDKCDKC-UHFFFAOYSA-N 0 0 262.273 1.377 20 5 CDBDRN O=[N+]([O-])c1cc(NCCCn2cncn2)nc2[nH]ccc21 ZINC001161961464 938948746 /nfs/dbraw/zinc/94/87/46/938948746.db2.gz GJHSJCIFKFOTSB-UHFFFAOYSA-N 0 0 287.283 1.565 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1Oc1ccc2c(=O)cc[nH]c2c1 ZINC001162152819 938958875 /nfs/dbraw/zinc/95/88/75/938958875.db2.gz HMCGSVMOEBRBTM-UHFFFAOYSA-N 0 0 286.247 1.962 20 5 CDBDRN COc1ncc([N+](=O)[O-])cc1NC[C@@H](O)c1ccco1 ZINC001162258041 938968633 /nfs/dbraw/zinc/96/86/33/938968633.db2.gz KIHYWPZSUCXWCZ-SNVBAGLBSA-N 0 0 279.252 1.737 20 5 CDBDRN O=C(N[C@H](CO)c1cccnc1)c1ccc([N+](=O)[O-])o1 ZINC001162286120 938971645 /nfs/dbraw/zinc/97/16/45/938971645.db2.gz STGGVDICCDGTRU-SECBINFHSA-N 0 0 277.236 1.046 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001162370452 939037305 /nfs/dbraw/zinc/03/73/05/939037305.db2.gz JYYXEIFFGIZLGX-CMPLNLGQSA-N 0 0 294.267 1.879 20 5 CDBDRN Nc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@]12CCCOC2 ZINC001162379634 939040191 /nfs/dbraw/zinc/04/01/91/939040191.db2.gz ZDBWMJRIAWNGLS-ZYHUDNBSSA-N 0 0 264.285 1.553 20 5 CDBDRN Nc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@]12CCCOC2 ZINC001162379633 939040369 /nfs/dbraw/zinc/04/03/69/939040369.db2.gz ZDBWMJRIAWNGLS-PWSUYJOCSA-N 0 0 264.285 1.553 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCCN2CCCCO2)n1 ZINC001162417226 939050642 /nfs/dbraw/zinc/05/06/42/939050642.db2.gz UZVSUJHNWNODAP-UHFFFAOYSA-N 0 0 282.300 1.438 20 5 CDBDRN O=C1C[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CCCN1 ZINC001162454127 939058050 /nfs/dbraw/zinc/05/80/50/939058050.db2.gz OEDQMYOAPBEUPK-MRVPVSSYSA-N 0 0 289.295 1.552 20 5 CDBDRN CCCOC(=O)CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001162491400 939068200 /nfs/dbraw/zinc/06/82/00/939068200.db2.gz XPPLOIMJYGUHEW-UHFFFAOYSA-N 0 0 289.675 1.247 20 5 CDBDRN Cc1cc(Nc2nc(Cl)ncc2[N+](=O)[O-])cn(C)c1=O ZINC001162505068 939073796 /nfs/dbraw/zinc/07/37/96/939073796.db2.gz OOSLHYHDNCGQCZ-UHFFFAOYSA-N 0 0 295.686 1.789 20 5 CDBDRN NC(=O)C1(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001162543100 939080784 /nfs/dbraw/zinc/08/07/84/939080784.db2.gz CLRMRBOJKJDQEI-UHFFFAOYSA-N 0 0 276.296 1.298 20 5 CDBDRN COc1cnc(N(C(=N)N)c2cc(C)[nH]n2)c([N+](=O)[O-])c1 ZINC001163509289 939278828 /nfs/dbraw/zinc/27/88/28/939278828.db2.gz GRQNJOCSGAAQLP-UHFFFAOYSA-N 0 0 291.271 1.061 20 5 CDBDRN COc1cnc(NCCn2ccnc2C)cc1[N+](=O)[O-] ZINC001163919792 939352185 /nfs/dbraw/zinc/35/21/85/939352185.db2.gz LAAMDHDFFGQMAK-UHFFFAOYSA-N 0 0 277.284 1.615 20 5 CDBDRN COc1ccc([N+](=O)[O-])nc1NCCn1ccnc1C ZINC001163924638 939353811 /nfs/dbraw/zinc/35/38/11/939353811.db2.gz YPUOHZFEKFUOCD-UHFFFAOYSA-N 0 0 277.284 1.615 20 5 CDBDRN CN(Cc1ncccn1)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001163924145 939354361 /nfs/dbraw/zinc/35/43/61/939354361.db2.gz BRKAZUUQXFTHPN-UHFFFAOYSA-N 0 0 296.290 1.964 20 5 CDBDRN Cc1c(C)c(N2Cc3cncnc3C2)ncc1[N+](=O)[O-] ZINC001163984598 939371537 /nfs/dbraw/zinc/37/15/37/939371537.db2.gz KBVMAAOZXWYVNH-UHFFFAOYSA-N 0 0 271.280 1.917 20 5 CDBDRN O=[N+]([O-])c1cnc(Cl)cc1N1C[C@H](F)C[C@H](CO)C1 ZINC001164039523 939393507 /nfs/dbraw/zinc/39/35/07/939393507.db2.gz 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/nfs/dbraw/zinc/53/29/98/939532998.db2.gz RNBLSECKKHMCAI-CYBMUJFWSA-N 0 0 295.295 1.069 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC3(C2)CCCOC3)c1 ZINC001165306327 939543504 /nfs/dbraw/zinc/54/35/04/939543504.db2.gz QDQCHGFRKCFUJQ-UHFFFAOYSA-N 0 0 299.714 1.498 20 5 CDBDRN Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2CCCO[C@@H]2C1 ZINC001165336959 939547837 /nfs/dbraw/zinc/54/78/37/939547837.db2.gz PHFYGNXGQKWEFB-JOYOIKCWSA-N 0 0 278.312 1.577 20 5 CDBDRN CCOC(=O)[C@@]12C[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001165425785 939562797 /nfs/dbraw/zinc/56/27/97/939562797.db2.gz ZDZCVQOYHGGDMX-ISVAXAHUSA-N 0 0 292.295 1.104 20 5 CDBDRN C[C@H](CCO)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001165866135 939581176 /nfs/dbraw/zinc/58/11/76/939581176.db2.gz DLATYLSHPYPTPB-ZCFIWIBFSA-N 0 0 251.246 1.049 20 5 CDBDRN CCN(CCC(N)=O)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001166586807 939615233 /nfs/dbraw/zinc/61/52/33/939615233.db2.gz AIJRXCVBCNWZJL-UHFFFAOYSA-N 0 0 272.692 1.345 20 5 CDBDRN 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/nfs/dbraw/zinc/42/19/87/375421987.db2.gz ZHMHYLDULCBBBX-PSASIEDQSA-N 0 0 295.270 1.792 20 5 CDBDRN O=[N+]([O-])c1ccnn1Cc1noc(-c2ccsc2)n1 ZINC000049493641 375448624 /nfs/dbraw/zinc/44/86/24/375448624.db2.gz UXMDMZRTCSUSIX-UHFFFAOYSA-N 0 0 277.265 1.951 20 5 CDBDRN CNC(=O)c1ccc(NCCC[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000230147070 375526628 /nfs/dbraw/zinc/52/66/28/375526628.db2.gz CTCBWKPFJAMZGF-JTQLQIEISA-N 0 0 295.339 1.775 20 5 CDBDRN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000283707727 284524451 /nfs/dbraw/zinc/52/44/51/284524451.db2.gz DKDKLZNCGXKOAW-SECBINFHSA-N 0 0 295.295 1.046 20 5 CDBDRN COc1cc(N(C)CC[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000230355525 375567393 /nfs/dbraw/zinc/56/73/93/375567393.db2.gz MGOUWTTYRKAONV-MRVPVSSYSA-N 0 0 272.276 1.950 20 5 CDBDRN C[C@]1(O)CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000230373149 375572061 /nfs/dbraw/zinc/57/20/61/375572061.db2.gz HDERBBKQRBENFE-LBPRGKRZSA-N 0 0 251.286 1.731 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000227648859 375583634 /nfs/dbraw/zinc/58/36/34/375583634.db2.gz JHLRMWPIRSXQRQ-LURJTMIESA-N 0 0 285.609 1.978 20 5 CDBDRN Cc1cccc(C(=O)N[C@@H](CO)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000344858598 375621436 /nfs/dbraw/zinc/62/14/36/375621436.db2.gz HHPMBQXHESEKOQ-NWDGAFQWSA-N 0 0 294.307 1.173 20 5 CDBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccncn1 ZINC000353543423 375622835 /nfs/dbraw/zinc/62/28/35/375622835.db2.gz NPTGCXMWELAEIS-UHFFFAOYSA-N 0 0 286.291 1.634 20 5 CDBDRN COc1ccc(NC(=O)[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000353588824 375630474 /nfs/dbraw/zinc/63/04/74/375630474.db2.gz BRSVTRHUBDNAEV-CYBMUJFWSA-N 0 0 282.296 1.949 20 5 CDBDRN C[C@H]1OCC[C@]1(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000227985300 375660343 /nfs/dbraw/zinc/66/03/43/375660343.db2.gz UNKVKUJNKXNQOP-RNCFNFMXSA-N 0 0 295.295 1.256 20 5 CDBDRN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000294115403 375684566 /nfs/dbraw/zinc/68/45/66/375684566.db2.gz ZIESYLVTFNIXRT-JTQLQIEISA-N 0 0 282.296 1.203 20 5 CDBDRN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C[NH+](C)C ZINC000294156924 375720023 /nfs/dbraw/zinc/72/00/23/375720023.db2.gz LTPIOMNDZMXJRL-SECBINFHSA-N 0 0 281.312 1.228 20 5 CDBDRN Cc1cnc(NC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000231137370 375701260 /nfs/dbraw/zinc/70/12/60/375701260.db2.gz MRFFDIWYXDCFLR-SSDOTTSWSA-N 0 0 265.191 1.633 20 5 CDBDRN CCn1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cn1 ZINC000354347499 375701268 /nfs/dbraw/zinc/70/12/68/375701268.db2.gz FRBDPSXDWBHBJR-UHFFFAOYSA-N 0 0 275.268 1.646 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCc2ccc(F)c(F)c2F)nc1 ZINC000354558886 375726054 /nfs/dbraw/zinc/72/60/54/375726054.db2.gz BQSBLZYKDQSSJC-UHFFFAOYSA-N 0 0 298.224 1.879 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2cccc(F)c21 ZINC000354445474 375714378 /nfs/dbraw/zinc/71/43/78/375714378.db2.gz WXOGGNFRWMAQIY-UHFFFAOYSA-N 0 0 276.227 1.660 20 5 CDBDRN COCc1noc(COc2ccc([N+](=O)[O-])c(CO)c2)n1 ZINC000428069872 247236902 /nfs/dbraw/zinc/23/69/02/247236902.db2.gz LZKGAYQXTWSTQH-UHFFFAOYSA-N 0 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NC(=O)c1ccnc(N[C@H]2C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000357535771 375915325 /nfs/dbraw/zinc/91/53/25/375915325.db2.gz PXQVLNOOKANMJS-QWRGUYRKSA-N 0 0 299.290 1.452 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccon1 ZINC000357938461 375940940 /nfs/dbraw/zinc/94/09/40/375940940.db2.gz DTMJKNGOMDIGGM-ZCFIWIBFSA-N 0 0 278.224 1.174 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(NCCCc3nnc[nH]3)c21 ZINC000347456639 376165488 /nfs/dbraw/zinc/16/54/88/376165488.db2.gz XBSKDNUDSXHZED-UHFFFAOYSA-N 0 0 299.294 1.123 20 5 CDBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000300415212 376532455 /nfs/dbraw/zinc/53/24/55/376532455.db2.gz SQOWVKOVIHVSJQ-OIBJUYFYSA-N 0 0 271.704 1.850 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](C2OCCO2)C1 ZINC000171363992 376545561 /nfs/dbraw/zinc/54/55/61/376545561.db2.gz OIEDIQJCPJHDGP-VIFPVBQESA-N 0 0 296.279 1.413 20 5 CDBDRN Cc1nc(NCC[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000296589003 376548618 /nfs/dbraw/zinc/54/86/18/376548618.db2.gz 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CN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000029002878 523440544 /nfs/dbraw/zinc/44/05/44/523440544.db2.gz KYESTMYNXVFSQR-UHFFFAOYSA-N 0 0 280.309 1.511 20 5 CDBDRN CC[C@](C)(CCO)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000182743770 523458674 /nfs/dbraw/zinc/45/86/74/523458674.db2.gz LEOPERPPPBHMPT-CQSZACIVSA-N 0 0 296.323 1.884 20 5 CDBDRN CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000112079112 523514655 /nfs/dbraw/zinc/51/46/55/523514655.db2.gz BPQHMGTULQCYGV-ZDUSSCGKSA-N 0 0 281.312 1.527 20 5 CDBDRN CO[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)C1CC1 ZINC000292734869 523954951 /nfs/dbraw/zinc/95/49/51/523954951.db2.gz IJDXHKZOTNZEAY-SECBINFHSA-N 0 0 254.290 1.474 20 5 CDBDRN CC[C@H](C)NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000182781399 523973337 /nfs/dbraw/zinc/97/33/37/523973337.db2.gz DTSGXDWNROIFCC-JTQLQIEISA-N 0 0 277.324 1.872 20 5 CDBDRN C[C@H](CCO)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000077226230 524219769 /nfs/dbraw/zinc/21/97/69/524219769.db2.gz NCFSWPNBTDMJFK-SECBINFHSA-N 0 0 293.323 1.670 20 5 CDBDRN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000068201830 524783891 /nfs/dbraw/zinc/78/38/91/524783891.db2.gz DUIKGZLGJYIAPD-WDEREUQCSA-N 0 0 293.323 1.643 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)CO1 ZINC000050702968 524856029 /nfs/dbraw/zinc/85/60/29/524856029.db2.gz UKRAPRMLLSSZBG-DTWKUNHWSA-N 0 0 279.296 1.426 20 5 CDBDRN C[C@H]1C[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000049486779 524954248 /nfs/dbraw/zinc/95/42/48/524954248.db2.gz ROYFDFLIQUQKGN-IUCAKERBSA-N 0 0 282.271 1.885 20 5 CDBDRN Cc1cc(N2CC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000363774131 525094819 /nfs/dbraw/zinc/09/48/19/525094819.db2.gz AMQUENUEWLDALX-LBPRGKRZSA-N 0 0 273.296 1.946 20 5 CDBDRN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000049423267 525114957 /nfs/dbraw/zinc/11/49/57/525114957.db2.gz NMEDMKICAJAYRQ-SECBINFHSA-N 0 0 263.297 1.921 20 5 CDBDRN C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339206281 525240906 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C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)NC(C)(C)C ZINC000068937929 525697219 /nfs/dbraw/zinc/69/72/19/525697219.db2.gz WPQOOVLZAKZYFU-SSDOTTSWSA-N 0 0 269.305 1.043 20 5 CDBDRN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1cncs1 ZINC000338488735 525697912 /nfs/dbraw/zinc/69/79/12/525697912.db2.gz HHUSOXITTJJHMQ-ZCFIWIBFSA-N 0 0 253.287 1.958 20 5 CDBDRN Cc1ccsc1CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000338746948 525838279 /nfs/dbraw/zinc/83/82/79/525838279.db2.gz YFVGLMUFLOMBHV-UHFFFAOYSA-N 0 0 294.336 1.970 20 5 CDBDRN Cc1cnn(CC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000339194028 526258048 /nfs/dbraw/zinc/25/80/48/526258048.db2.gz QHBSCOBCFKWKKM-UHFFFAOYSA-N 0 0 278.243 1.878 20 5 CDBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C1=COCCC1 ZINC000068318066 526339353 /nfs/dbraw/zinc/33/93/53/526339353.db2.gz UQPDVCWDBSWJJZ-UHFFFAOYSA-N 0 0 291.307 1.817 20 5 CDBDRN COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])n2C)CCC1 ZINC000427422598 536440665 /nfs/dbraw/zinc/44/06/65/536440665.db2.gz VZAHETNCAVOVKM-UHFFFAOYSA-N 0 0 295.295 1.149 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](CCO)C1 ZINC000051891437 526716755 /nfs/dbraw/zinc/71/67/55/526716755.db2.gz BJLXYOAYGXCLHM-SECBINFHSA-N 0 0 268.269 1.422 20 5 CDBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCCOCC1 ZINC000363436769 526812134 /nfs/dbraw/zinc/81/21/34/526812134.db2.gz OXVCGTBTWDQZMO-UHFFFAOYSA-N 0 0 250.254 1.457 20 5 CDBDRN CC(=O)N[C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000176496924 526875130 /nfs/dbraw/zinc/87/51/30/526875130.db2.gz OIUXSAMVIWFZPO-SECBINFHSA-N 0 0 293.323 1.471 20 5 CDBDRN O=C(N[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])s1 ZINC000051997825 526889704 /nfs/dbraw/zinc/88/97/04/526889704.db2.gz LHSKTCWKWQIASA-HTQZYQBOSA-N 0 0 270.310 1.690 20 5 CDBDRN O=C(COc1cc(F)ccc1[N+](=O)[O-])NCC1CC1 ZINC000023209811 526945237 /nfs/dbraw/zinc/94/52/37/526945237.db2.gz FPEXGXCSLDQTBV-UHFFFAOYSA-N 0 0 268.244 1.639 20 5 CDBDRN Cc1nc(N2CC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338420704 526972522 /nfs/dbraw/zinc/97/25/22/526972522.db2.gz 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/nfs/dbraw/zinc/41/77/65/527417765.db2.gz LXEYTYNWZVRONX-UHFFFAOYSA-N 0 0 272.062 1.325 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NO[C@@H]1CCCCO1 ZINC000181002954 527522318 /nfs/dbraw/zinc/52/23/18/527522318.db2.gz ZRPDWGQCVLZZSE-SNVBAGLBSA-N 0 0 281.268 1.365 20 5 CDBDRN O=C(NCCCO)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000163893562 527679924 /nfs/dbraw/zinc/67/99/24/527679924.db2.gz OMSWUJYLGYBREK-UHFFFAOYSA-N 0 0 258.661 1.360 20 5 CDBDRN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC000410724202 528404137 /nfs/dbraw/zinc/40/41/37/528404137.db2.gz VGORQGUMQRHPHR-RKDXNWHRSA-N 0 0 266.301 1.949 20 5 CDBDRN CC1(C)CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184491246 528930946 /nfs/dbraw/zinc/93/09/46/528930946.db2.gz QEWPOTBSLRIOQB-UHFFFAOYSA-N 0 0 278.312 1.834 20 5 CDBDRN CC(C)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102224657 534962473 /nfs/dbraw/zinc/96/24/73/534962473.db2.gz HRUGJVCTYOBLKL-UHFFFAOYSA-N 0 0 254.290 1.393 20 5 CDBDRN CC1(C)[C@@H](O)C[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420608933 535035836 /nfs/dbraw/zinc/03/58/36/535035836.db2.gz FSKKSEFQOGVLCK-UWVGGRQHSA-N 0 0 279.296 1.265 20 5 CDBDRN CCC(O)(CC)CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000137582703 535222268 /nfs/dbraw/zinc/22/22/68/535222268.db2.gz WDPFBUHABCNDPZ-UHFFFAOYSA-N 0 0 296.323 1.884 20 5 CDBDRN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000130734913 535336364 /nfs/dbraw/zinc/33/63/64/535336364.db2.gz OIZRCHWWJASSJX-UHFFFAOYSA-N 0 0 296.298 1.914 20 5 CDBDRN CC[C@@H](C)NC(=O)CCNc1ccc([N+](=O)[O-])nc1 ZINC000048346072 535573012 /nfs/dbraw/zinc/57/30/12/535573012.db2.gz GBCPLNDPCKHNFT-SECBINFHSA-N 0 0 266.301 1.707 20 5 CDBDRN CCOC(=O)[C@H](C)N(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000190828076 535622052 /nfs/dbraw/zinc/62/20/52/535622052.db2.gz ZIULKSNSXKHMJZ-JTQLQIEISA-N 0 0 296.327 1.207 20 5 CDBDRN CCOC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)C ZINC000191438122 535668347 /nfs/dbraw/zinc/66/83/47/535668347.db2.gz DBIAYVCKUHFZQO-MRVPVSSYSA-N 0 0 270.289 1.109 20 5 CDBDRN CCN(C)C(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000191612716 535737636 /nfs/dbraw/zinc/73/76/36/535737636.db2.gz YLCLMZPWIKMGEA-JTQLQIEISA-N 0 0 293.323 1.120 20 5 CDBDRN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000175742869 535884787 /nfs/dbraw/zinc/88/47/87/535884787.db2.gz PRNADTDMYOJROP-JTQLQIEISA-N 0 0 280.280 1.585 20 5 CDBDRN COC(=O)c1cc(Cn2cccc([N+](=O)[O-])c2=O)oc1C ZINC000102204865 536499410 /nfs/dbraw/zinc/49/94/10/536499410.db2.gz NWYKBNUZGJXVRX-UHFFFAOYSA-N 0 0 292.247 1.493 20 5 CDBDRN CO[C@@H](C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000189617632 536875392 /nfs/dbraw/zinc/87/53/92/536875392.db2.gz DXVHIEKCMQWCOK-JARNTUPDSA-N 0 0 264.281 1.759 20 5 CDBDRN Cn1nnnc1SCc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775514 1174486122 /nfs/dbraw/zinc/48/61/22/1174486122.db2.gz DIARPIAMSSIQMU-UHFFFAOYSA-N 0 0 269.261 1.550 20 5 CDBDRN Cc1noc(C[NH2+][C@](C)(CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC001600815321 1174625125 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Cc1c(COC[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC001223330806 941670594 /nfs/dbraw/zinc/67/05/94/941670594.db2.gz BXMLGGWKEOBKGK-GFCCVEGCSA-N 0 0 267.281 1.835 20 5 CDBDRN CC[C@@H](O)C(=O)OCc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC001223413124 941676109 /nfs/dbraw/zinc/67/61/09/941676109.db2.gz JBNOGZLARBYTDL-LLVKDONJSA-N 0 0 297.263 1.196 20 5 CDBDRN COC[C@H](C)O[C@H](C(=O)OC)c1ccccc1[N+](=O)[O-] ZINC001223642158 941689170 /nfs/dbraw/zinc/68/91/70/941689170.db2.gz HDOWIBASERZICI-CABZTGNLSA-N 0 0 283.280 1.860 20 5 CDBDRN C[C@@H](CC1CCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646162 941689738 /nfs/dbraw/zinc/68/97/38/941689738.db2.gz IRPGKIPQDOFMOY-JTQLQIEISA-N 0 0 295.343 1.669 20 5 CDBDRN COC(=O)c1cc(CO[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC001223689282 941691360 /nfs/dbraw/zinc/69/13/60/941691360.db2.gz XHEQOHYHZDUGLJ-GFCCVEGCSA-N 0 0 281.264 1.687 20 5 CDBDRN C[C@H](OC[C@H]1OCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001224026270 941715089 /nfs/dbraw/zinc/71/50/89/941715089.db2.gz PMJNYKIVDCORKZ-GXFFZTMASA-N 0 0 294.307 1.530 20 5 CDBDRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](O[C@@H]1Cc3ccccc31)C2 ZINC001224061600 941717794 /nfs/dbraw/zinc/71/77/94/941717794.db2.gz FWSGPRFSKAHZLU-CMPLNLGQSA-N 0 0 287.275 1.866 20 5 CDBDRN O=[N+]([O-])C[C@H](OCc1nc(-c2cccnc2)no1)C1CC1 ZINC001224231770 941731841 /nfs/dbraw/zinc/73/18/41/941731841.db2.gz BYNNEPWQVIXIRV-NSHDSACASA-N 0 0 290.279 1.704 20 5 CDBDRN O=[N+]([O-])C[C@@H](OCCO[C@@H]1CCCCO1)c1cccnc1 ZINC001224529768 941765525 /nfs/dbraw/zinc/76/55/25/941765525.db2.gz LRMVWHHAOUCQQL-ZIAGYGMSSA-N 0 0 296.323 1.959 20 5 CDBDRN CC(=O)OC[C@H](C)CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224790988 941793210 /nfs/dbraw/zinc/79/32/10/941793210.db2.gz BWQDBJJRRRPOLM-GWCFXTLKSA-N 0 0 282.296 1.615 20 5 CDBDRN NC(=O)c1ccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)cc1 ZINC001225299013 941840408 /nfs/dbraw/zinc/84/04/08/941840408.db2.gz SJFRAUSYLPXZSL-ZDUSSCGKSA-N 0 0 287.275 1.577 20 5 CDBDRN CC[C@@H](Oc1c(Cl)nccc1[N+](=O)[O-])C(=O)OC ZINC001225432339 941858819 /nfs/dbraw/zinc/85/88/19/941858819.db2.gz CDHWXRLPKZSNGC-SSDOTTSWSA-N 0 0 274.660 1.974 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])cc1OC1CN(C)C1 ZINC001225449684 941861422 /nfs/dbraw/zinc/86/14/22/941861422.db2.gz YLPQHIYMSDGXTE-UHFFFAOYSA-N 0 0 266.253 1.074 20 5 CDBDRN Cc1cncc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1 ZINC001225481147 941866388 /nfs/dbraw/zinc/86/63/88/941866388.db2.gz UJHTXFIHQKHRJK-JTQLQIEISA-N 0 0 276.252 1.335 20 5 CDBDRN CC[N@@H+]1CC[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225489074 941869178 /nfs/dbraw/zinc/86/91/78/941869178.db2.gz QKFPHHJHLFMUTL-JTQLQIEISA-N 0 0 252.270 1.773 20 5 CDBDRN Cc1cc(O[C@H](C[N+](=O)[O-])c2cccnc2)cc(=O)n1C ZINC001225531821 941875285 /nfs/dbraw/zinc/87/52/85/941875285.db2.gz WPXSOXOAKFHBGQ-CYBMUJFWSA-N 0 0 289.291 1.486 20 5 CDBDRN C=CC(=O)OC[C@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225593533 941885696 /nfs/dbraw/zinc/88/56/96/941885696.db2.gz TVZSCJHBHFBHSX-QMMMGPOBSA-N 0 0 252.226 1.486 20 5 CDBDRN Cc1cccc(O[C@H]2CCCOC2=O)c1[N+](=O)[O-] ZINC001225633567 941892524 /nfs/dbraw/zinc/89/25/24/941892524.db2.gz TZKXGLHJIBNVCF-JTQLQIEISA-N 0 0 251.238 1.988 20 5 CDBDRN Cc1cc(OCC(=O)OC(C)C)ncc1[N+](=O)[O-] ZINC001225660541 941894809 /nfs/dbraw/zinc/89/48/09/941894809.db2.gz DZHCZBRUPCERDJ-UHFFFAOYSA-N 0 0 254.242 1.629 20 5 CDBDRN CN1[C@@H]2C[C@@H](Oc3cccc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225664129 941896038 /nfs/dbraw/zinc/89/60/38/941896038.db2.gz JZVIIUCDSBFBEU-RLCGTCKNSA-N 0 0 294.282 1.917 20 5 CDBDRN CC(C)C(=O)N1CC(Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225666478 941896751 /nfs/dbraw/zinc/89/67/51/941896751.db2.gz JWBIIAOIFTYPIR-UHFFFAOYSA-N 0 0 282.271 1.980 20 5 CDBDRN COC(=O)[C@H]1C[C@H](Oc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001225768701 941911741 /nfs/dbraw/zinc/91/17/41/941911741.db2.gz DJOBSNVPUSSLGK-CZMCAQCFSA-N 0 0 281.264 1.934 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2COC(=O)O2)c1 ZINC001225804154 941915455 /nfs/dbraw/zinc/91/54/55/941915455.db2.gz ONEKCGYUNNCWCA-SECBINFHSA-N 0 0 281.220 1.712 20 5 CDBDRN O=C1OCC[C@@H]1Oc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001225893429 941925513 /nfs/dbraw/zinc/92/55/13/941925513.db2.gz RDEGDIIETKZPJC-ZETCQYMHSA-N 0 0 292.169 1.703 20 5 CDBDRN CC[C@@H](O)C(=O)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226130336 941954979 /nfs/dbraw/zinc/95/49/79/941954979.db2.gz LKRDNIUKBYCEFU-SSDOTTSWSA-N 0 0 260.633 1.320 20 5 CDBDRN CC(=O)N1CC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226129531 941955051 /nfs/dbraw/zinc/95/50/51/941955051.db2.gz DWCRBNIJWNRWDW-SECBINFHSA-N 0 0 285.687 1.643 20 5 CDBDRN CC(=O)N1CC(Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226198033 941965605 /nfs/dbraw/zinc/96/56/05/941965605.db2.gz KRRBUOOATSGZDD-UHFFFAOYSA-N 0 0 288.662 1.997 20 5 CDBDRN O=C1CC(Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226338924 941990438 /nfs/dbraw/zinc/99/04/38/941990438.db2.gz COHZYLLMFRKAHT-UHFFFAOYSA-N 0 0 287.069 1.863 20 5 CDBDRN O=[N+]([O-])c1cnc(OC[C@@H]2CCO2)c(Br)c1 ZINC001226340491 941990749 /nfs/dbraw/zinc/99/07/49/941990749.db2.gz ZKCSPXOSBZCKIU-ZETCQYMHSA-N 0 0 289.085 1.920 20 5 CDBDRN O=C1OCCC[C@@H]1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226436884 942005022 /nfs/dbraw/zinc/00/50/22/942005022.db2.gz QBNFBJIDWQGXGG-NSHDSACASA-N 0 0 289.247 1.622 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(O[C@@H]2CCCN(C(C)=O)C2)c1 ZINC001226442922 942005291 /nfs/dbraw/zinc/00/52/91/942005291.db2.gz IOMMLICSJILZEW-GFCCVEGCSA-N 0 0 294.307 1.993 20 5 CDBDRN CC[C@@H](Oc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC001226440828 942005642 /nfs/dbraw/zinc/00/56/42/942005642.db2.gz GHBVVRCORDJUCN-LLVKDONJSA-N 0 0 291.263 1.868 20 5 CDBDRN COc1cc(OC2CN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC001226581098 942030230 /nfs/dbraw/zinc/03/02/30/942030230.db2.gz KWJWVHVIYXDYHV-UHFFFAOYSA-N 0 0 267.285 1.470 20 5 CDBDRN C=CC(=O)OC[C@@H](C)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226751397 942061755 /nfs/dbraw/zinc/06/17/55/942061755.db2.gz JVLVLIKGDWHZOU-SSDOTTSWSA-N 0 0 270.216 1.625 20 5 CDBDRN C[C@H](CN1CCOCC1)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226758003 942063671 /nfs/dbraw/zinc/06/36/71/942063671.db2.gz ZOFYCTRSIRTZIN-SECBINFHSA-N 0 0 285.275 1.228 20 5 CDBDRN COc1ccnc(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC001226826277 942077471 /nfs/dbraw/zinc/07/74/71/942077471.db2.gz XKGDXLFJLWPTTO-VIFPVBQESA-N 0 0 292.295 1.971 20 5 CDBDRN O=[N+]([O-])c1cnc(OC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001227108791 942135109 /nfs/dbraw/zinc/13/51/09/942135109.db2.gz PTCMWDOQZIMQCS-VIFPVBQESA-N 0 0 283.240 1.846 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1O[C@H]1CCOC1=O ZINC001227185005 942146442 /nfs/dbraw/zinc/14/64/42/942146442.db2.gz MWKDZSWLPPLDQC-VIFPVBQESA-N 0 0 253.210 1.298 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1OC[C@H]1COC(=O)O1 ZINC001227184414 942146184 /nfs/dbraw/zinc/14/61/84/942146184.db2.gz GGEIEXWOWSDHEP-QMMMGPOBSA-N 0 0 269.209 1.518 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1OC1COCOC1 ZINC001227185030 942146425 /nfs/dbraw/zinc/14/64/25/942146425.db2.gz NHQVQWRXJLYCGK-UHFFFAOYSA-N 0 0 255.226 1.355 20 5 CDBDRN NC(=O)Nc1cccc(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001227196679 942148214 /nfs/dbraw/zinc/14/82/14/942148214.db2.gz CVDOBDGYSNRBEE-NSHDSACASA-N 0 0 265.269 1.611 20 5 CDBDRN Cc1ccc(O[C@H](C)CN2CCOCC2)c([N+](=O)[O-])n1 ZINC001227222933 942152482 /nfs/dbraw/zinc/15/24/82/942152482.db2.gz XSFXCFFWRWIVSY-LLVKDONJSA-N 0 0 281.312 1.398 20 5 CDBDRN COC(=O)[C@H]1C[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227219590 942152691 /nfs/dbraw/zinc/15/26/91/942152691.db2.gz MPRSKCXZNNFDEZ-DTORHVGOSA-N 0 0 266.253 1.629 20 5 CDBDRN O=[N+]([O-])c1ccc(C(F)(F)F)nc1OC[C@@H]1COCO1 ZINC001227243250 942155226 /nfs/dbraw/zinc/15/52/26/942155226.db2.gz IKCMYHBOYGXOIL-LURJTMIESA-N 0 0 294.185 1.760 20 5 CDBDRN C[C@@H](CON)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227466271 942178887 /nfs/dbraw/zinc/17/88/87/942178887.db2.gz MKWUFMHJLKOFHL-LURJTMIESA-N 0 0 257.202 1.161 20 5 CDBDRN CN1CCO[C@@H](COc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744336 942215905 /nfs/dbraw/zinc/21/59/05/942215905.db2.gz GIHDKBWIVCOTLT-SNVBAGLBSA-N 0 0 292.295 1.181 20 5 CDBDRN CC1=C[C@H](Oc2cncc([N+](=O)[O-])c2)CC(=O)O1 ZINC001227986672 942252218 /nfs/dbraw/zinc/25/22/18/942252218.db2.gz BPLNFHPIUABSGV-VIFPVBQESA-N 0 0 250.210 1.588 20 5 CDBDRN CCOC(=O)[C@H](C)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228016063 942258432 /nfs/dbraw/zinc/25/84/32/942258432.db2.gz ZQECZKSRPVOGDV-LURJTMIESA-N 0 0 274.660 1.974 20 5 CDBDRN COc1ccc(O[C@H](C)Cn2c(C)ncc2[N+](=O)[O-])cn1 ZINC001228059736 942264468 /nfs/dbraw/zinc/26/44/68/942264468.db2.gz YNEWWMPJKUBKAW-SECBINFHSA-N 0 0 292.295 1.971 20 5 CDBDRN COC(=O)[C@@H]1C[C@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1(C)C ZINC001228140016 942274114 /nfs/dbraw/zinc/27/41/14/942274114.db2.gz DKWSECGMKNNPIX-BQBZGAKWSA-N 0 0 297.267 1.057 20 5 CDBDRN Cc1ncc(Cl)c(O[C@@H](C[N+](=O)[O-])C2CC2)n1 ZINC001228290363 942291141 /nfs/dbraw/zinc/29/11/41/942291141.db2.gz RNPPBTZCRAUXQN-VIFPVBQESA-N 0 0 257.677 1.873 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC(CCO)C1 ZINC001228678627 942355247 /nfs/dbraw/zinc/35/52/47/942355247.db2.gz KPFKONJOABSBFF-UHFFFAOYSA-N 0 0 293.323 1.555 20 5 CDBDRN Cc1[nH]c(=O)cc(O[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC001228689694 942358852 /nfs/dbraw/zinc/35/88/52/942358852.db2.gz WOVIGDIQUMHVIW-VIFPVBQESA-N 0 0 266.253 1.894 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1c(C)ncnc1C ZINC001228854848 942385416 /nfs/dbraw/zinc/38/54/16/942385416.db2.gz WQLIZKRVPFMWQU-MRVPVSSYSA-N 0 0 291.311 1.974 20 5 CDBDRN CC[N@@H+]1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228969871 942400924 /nfs/dbraw/zinc/40/09/24/942400924.db2.gz DJUCDBYVJKZUFI-SECBINFHSA-N 0 0 268.269 1.479 20 5 CDBDRN CC(=O)c1cccc([N+](=O)[O-])c1OC[C@H]1COCO1 ZINC001228970378 942401943 /nfs/dbraw/zinc/40/19/43/942401943.db2.gz HXQDVSLFLHHDBW-SECBINFHSA-N 0 0 267.237 1.549 20 5 CDBDRN COC(=O)c1c(OC2CC(=O)C2)cccc1[N+](=O)[O-] ZINC001229050081 942411551 /nfs/dbraw/zinc/41/15/51/942411551.db2.gz TXQILEABWLOTPZ-UHFFFAOYSA-N 0 0 265.221 1.492 20 5 CDBDRN CC(=O)c1cccc(O[C@@H]2CCOC2=O)c1[N+](=O)[O-] ZINC001229132918 942422800 /nfs/dbraw/zinc/42/28/00/942422800.db2.gz YJQGIDDILOJFKH-SNVBAGLBSA-N 0 0 265.221 1.492 20 5 CDBDRN Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCS(=O)(=O)C1 ZINC001229197358 942431195 /nfs/dbraw/zinc/43/11/95/942431195.db2.gz FPRGSBIEFYKZJG-VIFPVBQESA-N 0 0 289.284 1.608 20 5 CDBDRN O=c1[nH]nc(OC[C@H]2CCCO2)c2c1cccc2[N+](=O)[O-] ZINC001229367622 942459301 /nfs/dbraw/zinc/45/93/01/942459301.db2.gz POBHCHVFSAFXTH-MRVPVSSYSA-N 0 0 291.263 1.801 20 5 CDBDRN Cc1cc(OC[C@H]2COCO2)cc(C)c1[N+](=O)[O-] ZINC001229468757 942478052 /nfs/dbraw/zinc/47/80/52/942478052.db2.gz FDVVWCGTVDDHBJ-LLVKDONJSA-N 0 0 253.254 1.963 20 5 CDBDRN CCOC[C@@H](C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230468 942591834 /nfs/dbraw/zinc/59/18/34/942591834.db2.gz RXHLKCGGTNGVFR-SSDOTTSWSA-N 0 0 266.257 1.670 20 5 CDBDRN CC(=O)Nc1ccc([N+](=O)[O-])cc1OC1COCOC1 ZINC001230247024 942595034 /nfs/dbraw/zinc/59/50/34/942595034.db2.gz BIXQHKNCLXUHTG-UHFFFAOYSA-N 0 0 282.252 1.305 20 5 CDBDRN CC[C@@H](O)C(=O)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230312205 942605054 /nfs/dbraw/zinc/60/50/54/942605054.db2.gz DNMPYRKEOPZUNX-MRVPVSSYSA-N 0 0 270.197 1.179 20 5 CDBDRN CC(=O)[C@@H](C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230315917 942606758 /nfs/dbraw/zinc/60/67/58/942606758.db2.gz PXGJGQQMABENKN-SSDOTTSWSA-N 0 0 254.198 1.859 20 5 CDBDRN CCOC(=O)[C@H](C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230594988 942651506 /nfs/dbraw/zinc/65/15/06/942651506.db2.gz IAUCZLZOILKIHR-ZETCQYMHSA-N 0 0 279.252 1.802 20 5 CDBDRN CC1=NO[C@H](COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC001525824591 970993633 /nfs/dbraw/zinc/99/36/33/970993633.db2.gz GDBSMYJMUSPFJK-NSHDSACASA-N 0 0 278.264 1.845 20 5 CDBDRN CC(C)[C@@H](C)Oc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC001233620429 943627373 /nfs/dbraw/zinc/62/73/73/943627373.db2.gz OKXDWGMCAFLYKB-MRVPVSSYSA-N 0 0 288.325 1.666 20 5 CDBDRN O=C1OC[C@H](COc2cc(Cl)cnc2[N+](=O)[O-])O1 ZINC001233711027 943644416 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C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331172050 295763861 /nfs/dbraw/zinc/76/38/61/295763861.db2.gz ZSKBZKMWNHZZOL-VIFPVBQESA-N 0 0 297.359 1.063 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085980803 179209195 /nfs/dbraw/zinc/20/91/95/179209195.db2.gz AKERFYBYZMXLJR-SKDRFNHKSA-N 0 0 281.312 1.214 20 5 CDBDRN CNc1nc(C(=O)NCCCOC(C)C)ccc1[N+](=O)[O-] ZINC000454218013 252337174 /nfs/dbraw/zinc/33/71/74/252337174.db2.gz JWROANLEANJESS-UHFFFAOYSA-N 0 0 296.327 1.576 20 5 CDBDRN COC(=O)CSCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000016812594 347612106 /nfs/dbraw/zinc/61/21/06/347612106.db2.gz NISBAIIBXGZUCO-UHFFFAOYSA-N 0 0 284.293 1.100 20 5 CDBDRN CCOc1ccc(C(=O)N2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000054132952 347815845 /nfs/dbraw/zinc/81/58/45/347815845.db2.gz IJLIPDUTCMTLAV-SNVBAGLBSA-N 0 0 294.307 1.854 20 5 CDBDRN O=[N+]([O-])c1ncccc1N1CCOC2(CCOCC2)CC1 ZINC000613579421 347789391 /nfs/dbraw/zinc/78/93/91/347789391.db2.gz FLGWLQVEFLFFDI-UHFFFAOYSA-N 0 0 293.323 1.766 20 5 CDBDRN CS[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055798606 347851537 /nfs/dbraw/zinc/85/15/37/347851537.db2.gz YKDQLVZVXIVCEK-MRVPVSSYSA-N 0 0 254.311 1.963 20 5 CDBDRN Cc1cccc(C(=O)NC[C@@H](C)CO)c1[N+](=O)[O-] ZINC000086626371 179313057 /nfs/dbraw/zinc/31/30/57/179313057.db2.gz KVURAQOGFDGCSR-MRVPVSSYSA-N 0 0 252.270 1.261 20 5 CDBDRN COc1cccc(N(C)C[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000613883433 347937451 /nfs/dbraw/zinc/93/74/51/347937451.db2.gz BSFPUCOFCSLCAI-NSHDSACASA-N 0 0 266.297 1.811 20 5 CDBDRN COC(=O)[C@]1(C)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000614551462 348141005 /nfs/dbraw/zinc/14/10/05/348141005.db2.gz YFSATCBFBWDEIR-ZDUSSCGKSA-N 0 0 295.295 1.101 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2CCC[C@H]21 ZINC000614672292 348189204 /nfs/dbraw/zinc/18/92/04/348189204.db2.gz LHQGCJWVMVLGRO-ZYHUDNBSSA-N 0 0 278.312 1.582 20 5 CDBDRN CNC(=O)CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273346168 192121771 /nfs/dbraw/zinc/12/17/71/192121771.db2.gz 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/nfs/dbraw/zinc/52/85/57/348528557.db2.gz BZWCCRHOFJPRGP-UHFFFAOYSA-N 0 0 296.333 1.838 20 5 CDBDRN C[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000615720659 348651744 /nfs/dbraw/zinc/65/17/44/348651744.db2.gz GFTQITGXOFDIKP-YUMQZZPRSA-N 0 0 258.299 1.242 20 5 CDBDRN Cc1cccc(C(=O)OCCN2CCOC2=O)c1[N+](=O)[O-] ZINC000029280027 348669747 /nfs/dbraw/zinc/66/97/47/348669747.db2.gz FJKOFOUADQUDHP-UHFFFAOYSA-N 0 0 294.263 1.512 20 5 CDBDRN O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 ZINC000029210767 348669794 /nfs/dbraw/zinc/66/97/94/348669794.db2.gz MSOUVQOWJWOPQP-UHFFFAOYSA-N 0 0 286.291 1.919 20 5 CDBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCO1 ZINC000047608744 348814333 /nfs/dbraw/zinc/81/43/33/348814333.db2.gz QRDYCIFEOVMGSW-NSHDSACASA-N 0 0 294.307 1.659 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](O)C1(C)C ZINC000129010574 187405385 /nfs/dbraw/zinc/40/53/85/187405385.db2.gz PILSHYDLYQBHBF-UWVGGRQHSA-N 0 0 251.286 1.870 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC1 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O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccon1 ZINC000073527205 349167846 /nfs/dbraw/zinc/16/78/46/349167846.db2.gz ZDVZLVVPVXTVPM-UHFFFAOYSA-N 0 0 273.204 1.379 20 5 CDBDRN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000617844471 349247843 /nfs/dbraw/zinc/24/78/43/349247843.db2.gz PUYXKVJTRIIIDJ-MRVPVSSYSA-N 0 0 290.366 1.527 20 5 CDBDRN CCO[C@@H]1C[C@](O)(CNc2cccnc2[N+](=O)[O-])C1(C)C ZINC000616067007 349277472 /nfs/dbraw/zinc/27/74/72/349277472.db2.gz RSMQXYNFAPATOV-RISCZKNCSA-N 0 0 295.339 1.968 20 5 CDBDRN Cc1cc(NCc2nncn2C)c(F)cc1[N+](=O)[O-] ZINC000290892057 197851988 /nfs/dbraw/zinc/85/19/88/197851988.db2.gz CZQSIORZHRKJJK-UHFFFAOYSA-N 0 0 265.248 1.783 20 5 CDBDRN CC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000137000516 362950973 /nfs/dbraw/zinc/95/09/73/362950973.db2.gz IRFHNGWALPUWNA-UHFFFAOYSA-N 0 0 293.323 1.468 20 5 CDBDRN Cc1n[nH]c(C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000271356895 191094270 /nfs/dbraw/zinc/09/42/70/191094270.db2.gz 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/nfs/dbraw/zinc/21/39/91/140213991.db2.gz XIYSECYGRNISFW-HTQZYQBOSA-N 0 0 264.285 1.300 20 5 CDBDRN CN(CCn1cccn1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000109968359 186280857 /nfs/dbraw/zinc/28/08/57/186280857.db2.gz XGMKCPIVNOSYJN-UHFFFAOYSA-N 0 0 288.307 1.492 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@](C)(O)C1CC1 ZINC000311716680 350709401 /nfs/dbraw/zinc/70/94/01/350709401.db2.gz WTHMCGJUGLMOIE-GFCCVEGCSA-N 0 0 268.317 1.693 20 5 CDBDRN CCC1(O)CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000619790072 350850624 /nfs/dbraw/zinc/85/06/24/350850624.db2.gz VKRZWHHMYRHDOJ-UHFFFAOYSA-N 0 0 282.300 1.131 20 5 CDBDRN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000067157055 350907211 /nfs/dbraw/zinc/90/72/11/350907211.db2.gz RANNMBGETPSAQZ-UHFFFAOYSA-N 0 0 278.264 1.600 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](O)C1 ZINC000067724288 350974998 /nfs/dbraw/zinc/97/49/98/350974998.db2.gz DZIXZICAXRPWSB-GFCCVEGCSA-N 0 0 279.296 1.261 20 5 CDBDRN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000345801158 362992817 /nfs/dbraw/zinc/99/28/17/362992817.db2.gz WOWCDZLRINSPNS-SFYZADRCSA-N 0 0 297.336 1.301 20 5 CDBDRN O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])o1 ZINC000271431814 191133231 /nfs/dbraw/zinc/13/32/31/191133231.db2.gz OAXLBPMZDYBFQZ-SECBINFHSA-N 0 0 296.279 1.603 20 5 CDBDRN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118689783 351248992 /nfs/dbraw/zinc/24/89/92/351248992.db2.gz PRLUGVQTUZTJAY-SCVCMEIPSA-N 0 0 290.323 1.659 20 5 CDBDRN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000167186616 363022509 /nfs/dbraw/zinc/02/25/09/363022509.db2.gz AUHYPYJMCKZEKK-GWCFXTLKSA-N 0 0 293.323 1.236 20 5 CDBDRN Cc1cccc(C(=O)NCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000115461614 186673193 /nfs/dbraw/zinc/67/31/93/186673193.db2.gz VKTYEZAULOKSEI-UHFFFAOYSA-N 0 0 294.307 1.975 20 5 CDBDRN Cc1cccc(N2CCC(S(N)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000364638322 363068086 /nfs/dbraw/zinc/06/80/86/363068086.db2.gz QDGGETZODUXOIR-UHFFFAOYSA-N 0 0 299.352 1.161 20 5 CDBDRN CSC[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000120073729 186873360 /nfs/dbraw/zinc/87/33/60/186873360.db2.gz WFMDFEQZFPPFJW-LURJTMIESA-N 0 0 287.316 1.797 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1O ZINC000051991374 363085799 /nfs/dbraw/zinc/08/57/99/363085799.db2.gz XKEONXMUWZZOLF-CHWSQXEVSA-N 0 0 294.307 1.393 20 5 CDBDRN Cc1nn(C[C@@H]2CCC[C@@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000291678133 198059894 /nfs/dbraw/zinc/05/98/94/198059894.db2.gz MYALRNLQBBNULV-GHMZBOCLSA-N 0 0 253.302 1.959 20 5 CDBDRN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000121947244 187006809 /nfs/dbraw/zinc/00/68/09/187006809.db2.gz TWLDOVUPYZWPOW-LBPRGKRZSA-N 0 0 291.307 1.288 20 5 CDBDRN CC(C)C[C@H](C)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000122262344 187023124 /nfs/dbraw/zinc/02/31/24/187023124.db2.gz SNNGVOAOWYSACM-NSHDSACASA-N 0 0 282.344 1.980 20 5 CDBDRN CSC[C@@H]1CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000123591523 187100050 /nfs/dbraw/zinc/10/00/50/187100050.db2.gz ODVUAFGJOYFDKP-VIFPVBQESA-N 0 0 298.368 1.604 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CCCCO1 ZINC000123955175 187116033 /nfs/dbraw/zinc/11/60/33/187116033.db2.gz SCOIMKVNDGEMMN-LLVKDONJSA-N 0 0 296.327 1.127 20 5 CDBDRN CS[C@H](C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000131568654 187574405 /nfs/dbraw/zinc/57/44/05/187574405.db2.gz RRODXHWZBMOAKA-SNVBAGLBSA-N 0 0 297.380 1.899 20 5 CDBDRN CNC(=O)CCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000271583254 191227105 /nfs/dbraw/zinc/22/71/05/191227105.db2.gz FAPBROJZKITWPW-UHFFFAOYSA-N 0 0 267.285 1.542 20 5 CDBDRN CCOCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136331628 187876051 /nfs/dbraw/zinc/87/60/51/187876051.db2.gz ZCWPWGZDRGCOCI-UHFFFAOYSA-N 0 0 254.242 1.578 20 5 CDBDRN CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)C(C)=O ZINC000873339351 784163740 /nfs/dbraw/zinc/16/37/40/784163740.db2.gz BRKBRSCHPYUKRV-SNVBAGLBSA-N 0 0 254.242 1.458 20 5 CDBDRN CN1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1=O 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VWBBVFYAPWASSO-QMMMGPOBSA-N 0 0 281.243 1.504 20 5 CDBDRN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC1 ZINC000862852566 790879742 /nfs/dbraw/zinc/87/97/42/790879742.db2.gz SDOWDFGHINGPAH-CYBMUJFWSA-N 0 0 276.292 1.782 20 5 CDBDRN O=[N+]([O-])CCN[C@H](Cn1cccn1)c1ccccc1 ZINC000929995481 790884931 /nfs/dbraw/zinc/88/49/31/790884931.db2.gz RDIVHFXQLFIYEM-CYBMUJFWSA-N 0 0 260.297 1.491 20 5 CDBDRN CC[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)OC ZINC000835447729 790915046 /nfs/dbraw/zinc/91/50/46/790915046.db2.gz MKAONUCEVKKZLE-SECBINFHSA-N 0 0 275.301 1.564 20 5 CDBDRN C[S@](=O)CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000134512676 790916539 /nfs/dbraw/zinc/91/65/39/790916539.db2.gz IWDGMWMTZXMJRI-LJQANCHMSA-N 0 0 288.300 1.232 20 5 CDBDRN O=c1[nH]ccc(N2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000853716789 790927305 /nfs/dbraw/zinc/92/73/05/790927305.db2.gz QLFPPYYYFSGAJP-OLQVQODUSA-N 0 0 257.196 1.397 20 5 CDBDRN COC[C@@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823988909 791005525 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CC[C@@H](NC(C)=O)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000869676470 791127440 /nfs/dbraw/zinc/12/74/40/791127440.db2.gz BYEVSXHJHWHGBY-LLVKDONJSA-N 0 0 298.270 1.692 20 5 CDBDRN Cc1cc([C@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)no1 ZINC000798202774 791128076 /nfs/dbraw/zinc/12/80/76/791128076.db2.gz MDDQOHCKUAAZRA-VIFPVBQESA-N 0 0 294.267 1.782 20 5 CDBDRN Cc1onc(-c2ccncc2)c1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814036245 791145474 /nfs/dbraw/zinc/14/54/74/791145474.db2.gz USXKLRDBSAEHGN-MRVPVSSYSA-N 0 0 291.263 1.867 20 5 CDBDRN CC[C@H]1C(=O)N(CC)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886147393 789862923 /nfs/dbraw/zinc/86/29/23/789862923.db2.gz RJNLBOCABMUYCP-LBPRGKRZSA-N 0 0 292.339 1.433 20 5 CDBDRN CC(C)(Cn1cc([C@@H]2CCCCO2)nn1)[N+](=O)[O-] ZINC000887423232 789867867 /nfs/dbraw/zinc/86/78/67/789867867.db2.gz OQDDEMQECMJAJX-JTQLQIEISA-N 0 0 254.290 1.575 20 5 CDBDRN C[C@]1(CO)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000723050126 789872012 /nfs/dbraw/zinc/87/20/12/789872012.db2.gz 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O=C(OCC(F)(F)Br)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851280450 790011410 /nfs/dbraw/zinc/01/14/10/790011410.db2.gz WZZZBCSBZLKKQN-QWWZWVQMSA-N 0 0 274.017 1.183 20 5 CDBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cn[nH]c1 ZINC000803269475 790028415 /nfs/dbraw/zinc/02/84/15/790028415.db2.gz OKNDDOGAUKBCBS-UHFFFAOYSA-N 0 0 290.279 1.741 20 5 CDBDRN COCc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000782174876 790039074 /nfs/dbraw/zinc/03/90/74/790039074.db2.gz OCIFEFVMCNXOSY-UHFFFAOYSA-N 0 0 293.235 1.481 20 5 CDBDRN C[C@@H]1CN(C)C(=O)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851968986 790041334 /nfs/dbraw/zinc/04/13/34/790041334.db2.gz WIHVPTKHNDZADV-SECBINFHSA-N 0 0 281.287 1.396 20 5 CDBDRN Cc1cc(F)cc(C(=O)N[C@H]2CCOC2=O)c1[N+](=O)[O-] ZINC000869092425 790081677 /nfs/dbraw/zinc/08/16/77/790081677.db2.gz KAYQBQHPYCAFNW-VIFPVBQESA-N 0 0 282.227 1.088 20 5 CDBDRN CNc1ccc(C(=O)OCc2nccn2C)cc1[N+](=O)[O-] ZINC000810189742 790088025 /nfs/dbraw/zinc/08/80/25/790088025.db2.gz HSZWZNNNLWUGFR-UHFFFAOYSA-N 0 0 290.279 1.727 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001029304855 790089247 /nfs/dbraw/zinc/08/92/47/790089247.db2.gz MLTAANVJAPKDOS-AHTGPTDSSA-N 0 0 299.758 1.079 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(=O)N(C)C ZINC000873836705 790102777 /nfs/dbraw/zinc/10/27/77/790102777.db2.gz YYAYXJOHWPSTNS-UHFFFAOYSA-N 0 0 279.296 1.030 20 5 CDBDRN COC(=O)[C@@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000884800462 790127405 /nfs/dbraw/zinc/12/74/05/790127405.db2.gz ZDBKDXNPJOKEMM-HTRCEHHLSA-N 0 0 269.232 1.350 20 5 CDBDRN O=C(OCCn1cccn1)c1csc([N+](=O)[O-])c1 ZINC000062278059 790173473 /nfs/dbraw/zinc/17/34/73/790173473.db2.gz ZCWXABWXJSPIDU-UHFFFAOYSA-N 0 0 267.266 1.710 20 5 CDBDRN CCOc1cc(NC(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000888836432 790208407 /nfs/dbraw/zinc/20/84/07/790208407.db2.gz WTCDKIRZSYBMFA-UHFFFAOYSA-N 0 0 295.295 1.858 20 5 CDBDRN CC[C@@H](C)NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000006355842 790210372 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ZINC000804357215 794790837 /nfs/dbraw/zinc/79/08/37/794790837.db2.gz ZVZBAQPPEYWXGX-NSHDSACASA-N 0 0 283.328 1.622 20 5 CDBDRN COc1ncc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cn1 ZINC000812814602 794807814 /nfs/dbraw/zinc/80/78/14/794807814.db2.gz LTNSQOSHAVCZCE-UHFFFAOYSA-N 0 0 293.283 1.523 20 5 CDBDRN CCN1CCOC[C@@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000874985622 794823820 /nfs/dbraw/zinc/82/38/20/794823820.db2.gz GDJKRFRRRMHYLU-GFCCVEGCSA-N 0 0 280.280 1.221 20 5 CDBDRN O=[N+]([O-])c1ccc(-n2cc(C3(O)CCC3)nn2)cc1 ZINC000849134303 794884801 /nfs/dbraw/zinc/88/48/01/794884801.db2.gz CHYRQMPCZBAJNJ-UHFFFAOYSA-N 0 0 260.253 1.547 20 5 CDBDRN CC[C@@H](C(=O)OC)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000791633461 794891747 /nfs/dbraw/zinc/89/17/47/794891747.db2.gz RYZASNCJZTVYIK-LBPRGKRZSA-N 0 0 295.291 1.880 20 5 CDBDRN Cc1ncsc1CCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128876 794895470 /nfs/dbraw/zinc/89/54/70/794895470.db2.gz GZWACHXSRDWZRN-UHFFFAOYSA-N 0 0 272.326 1.983 20 5 CDBDRN CCC[C@H](CC)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821076518 794911130 /nfs/dbraw/zinc/91/11/30/794911130.db2.gz GNMWGMYFMRGBTF-JTQLQIEISA-N 0 0 268.317 1.734 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(Cl)nc1 ZINC000194128798 794959263 /nfs/dbraw/zinc/95/92/63/794959263.db2.gz VEWTVHZXQZRFHO-UHFFFAOYSA-N 0 0 295.686 1.156 20 5 CDBDRN O=C(O[C@H]1CNOC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935911393 795007725 /nfs/dbraw/zinc/00/77/25/795007725.db2.gz FKABSOVAMKLDHE-QJPTWQEYSA-N 0 0 278.264 1.145 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCOC1 ZINC000069323391 795011814 /nfs/dbraw/zinc/01/18/14/795011814.db2.gz BWIWZSAYSDJTPK-QMMMGPOBSA-N 0 0 267.237 1.545 20 5 CDBDRN O=C(O[C@@H]1CCOC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000125159505 795055499 /nfs/dbraw/zinc/05/54/99/795055499.db2.gz GPNKAJPKQVBMJV-MRVPVSSYSA-N 0 0 255.201 1.680 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccoc1 ZINC000791333944 795098291 /nfs/dbraw/zinc/09/82/91/795098291.db2.gz TVHGYYJWEBVNTO-UHFFFAOYSA-N 0 0 279.227 1.839 20 5 CDBDRN C[C@H]1CN(C)C(=O)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000782396942 795117715 /nfs/dbraw/zinc/11/77/15/795117715.db2.gz AVHAEASJMDSMEC-ZETCQYMHSA-N 0 0 284.703 1.310 20 5 CDBDRN O=C(Nc1cccc(N2CCOCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839557635 795146608 /nfs/dbraw/zinc/14/66/08/795146608.db2.gz DZITWLGEEVUIEM-CHWSQXEVSA-N 0 0 291.307 1.127 20 5 CDBDRN C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C(=O)O1 ZINC000808204281 795159147 /nfs/dbraw/zinc/15/91/47/795159147.db2.gz FUBHYOVWFSZXSX-MUWHJKNJSA-N 0 0 282.227 1.168 20 5 CDBDRN O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(Cl)c1 ZINC000705358863 795168570 /nfs/dbraw/zinc/16/85/70/795168570.db2.gz OHGCFBOVRSWHMS-IUCAKERBSA-N 0 0 286.715 1.285 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCC(=O)NC(C)C ZINC000817239522 795240647 /nfs/dbraw/zinc/24/06/47/795240647.db2.gz MLYORYIBGPDHMK-UHFFFAOYSA-N 0 0 294.307 1.893 20 5 CDBDRN CC(C)C(=O)Nc1cc(C(=O)O[C@@H](C)C[N+](=O)[O-])ccn1 ZINC000816096964 795241879 /nfs/dbraw/zinc/24/18/79/795241879.db2.gz QDBFCOCOVWVBJB-VIFPVBQESA-N 0 0 295.295 1.498 20 5 CDBDRN CC(C)(CCC(=O)NCC1(CCO)CCCC1)[N+](=O)[O-] ZINC000826927835 795308233 /nfs/dbraw/zinc/30/82/33/795308233.db2.gz BMCCKYWYRBISKB-UHFFFAOYSA-N 0 0 286.372 1.881 20 5 CDBDRN Cc1c(C(=O)OC[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000847787572 795313490 /nfs/dbraw/zinc/31/34/90/795313490.db2.gz XHMQLLPZPDDOPK-JTQLQIEISA-N 0 0 292.291 1.538 20 5 CDBDRN Cc1cccc(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000839763625 795329690 /nfs/dbraw/zinc/32/96/90/795329690.db2.gz RSNZSILOMDVJEA-VXGBXAGGSA-N 0 0 263.297 1.104 20 5 CDBDRN CCOc1cc(N2CC(=O)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000782397216 795331316 /nfs/dbraw/zinc/33/13/16/795331316.db2.gz BNSKWDSDESQECH-SNVBAGLBSA-N 0 0 293.323 1.660 20 5 CDBDRN CO[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])CC1(C)C ZINC000840125921 795348617 /nfs/dbraw/zinc/34/86/17/795348617.db2.gz QYWIZFTVWLKXJH-SNVBAGLBSA-N 0 0 268.317 1.496 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884620842 795437095 /nfs/dbraw/zinc/43/70/95/795437095.db2.gz NRCVAKHJEZSTFG-IJRMOIDVSA-N 0 0 256.233 1.030 20 5 CDBDRN COCCCOC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000124745636 795511123 /nfs/dbraw/zinc/51/11/23/795511123.db2.gz ASTSPBPMWLZFJF-UHFFFAOYSA-N 0 0 257.217 1.927 20 5 CDBDRN CC(C)(C)C(=O)NCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819917008 795538064 /nfs/dbraw/zinc/53/80/64/795538064.db2.gz YLSSHZONDAENMD-UHFFFAOYSA-N 0 0 294.311 1.278 20 5 CDBDRN C[C@@H](CNC(=O)[C@@H](O)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000887401093 795549368 /nfs/dbraw/zinc/54/93/68/795549368.db2.gz PIOCFEQOGVKQIB-HZMBPMFUSA-N 0 0 292.335 1.976 20 5 CDBDRN COC(=O)c1nn(CCCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000882286469 795619583 /nfs/dbraw/zinc/61/95/83/795619583.db2.gz HOBRKWHLWBMCLK-UHFFFAOYSA-N 0 0 297.189 1.504 20 5 CDBDRN C[C@H]1OCC[C@@]1(O)CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000788577483 795659975 /nfs/dbraw/zinc/65/99/75/795659975.db2.gz PUGVAIIIEDWGSF-NOZJJQNGSA-N 0 0 292.295 1.194 20 5 CDBDRN COc1cc(C)ccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839702749 795690585 /nfs/dbraw/zinc/69/05/85/795690585.db2.gz UZKXHWXHKCLXKU-GHMZBOCLSA-N 0 0 264.281 1.285 20 5 CDBDRN Cc1cc(C(=O)OCc2cnnn2C)cc([N+](=O)[O-])c1 ZINC000809130336 795742553 /nfs/dbraw/zinc/74/25/53/795742553.db2.gz IMDNSSIJGRHTAI-UHFFFAOYSA-N 0 0 276.252 1.389 20 5 CDBDRN C[C@H](O)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791737101 795753594 /nfs/dbraw/zinc/75/35/94/795753594.db2.gz YOEKRHNDYXMRAC-LURJTMIESA-N 0 0 270.197 1.041 20 5 CDBDRN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)COC(=O)N1 ZINC000860991335 795753669 /nfs/dbraw/zinc/75/36/69/795753669.db2.gz PSCFYOZQYXGELB-LBPRGKRZSA-N 0 0 280.236 1.250 20 5 CDBDRN CC(C)(CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(N)=O ZINC000804357052 795769234 /nfs/dbraw/zinc/76/92/34/795769234.db2.gz WCUUYPGAMQRKKU-UHFFFAOYSA-N 0 0 282.256 1.426 20 5 CDBDRN Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000125819674 795783736 /nfs/dbraw/zinc/78/37/36/795783736.db2.gz ZINBULVRLOILPE-UHFFFAOYSA-N 0 0 261.237 1.856 20 5 CDBDRN CCOC(=O)[C@@H](F)[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000882571712 795800474 /nfs/dbraw/zinc/80/04/74/795800474.db2.gz RFJDHOBQFRQHEZ-CABZTGNLSA-N 0 0 297.286 1.717 20 5 CDBDRN COC(=O)CCCC(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853911171 795808298 /nfs/dbraw/zinc/80/82/98/795808298.db2.gz OTYFLSOKJBHQJO-UHFFFAOYSA-N 0 0 286.240 1.278 20 5 CDBDRN C[C@H](CCO)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000846600073 795815518 /nfs/dbraw/zinc/81/55/18/795815518.db2.gz JJUNDJSDOWOOSJ-MRVPVSSYSA-N 0 0 270.260 1.577 20 5 CDBDRN C[C@@H]1CO[C@H](CO)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000167851691 795815683 /nfs/dbraw/zinc/81/56/83/795815683.db2.gz FNHMMICFFIWDIS-SKDRFNHKSA-N 0 0 284.287 1.316 20 5 CDBDRN CCN(CC(=O)NC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783527185 795821125 /nfs/dbraw/zinc/82/11/25/795821125.db2.gz XZUKUXKAWMDVBZ-UHFFFAOYSA-N 0 0 285.731 1.816 20 5 CDBDRN CC(C)(O)C(C)(C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828300083 795827009 /nfs/dbraw/zinc/82/70/09/795827009.db2.gz FGUYHWKIPQUJCR-LLVKDONJSA-N 0 0 296.323 1.294 20 5 CDBDRN COCC(=O)COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000795323405 795837021 /nfs/dbraw/zinc/83/70/21/795837021.db2.gz BRSULYTZZFYYGN-UHFFFAOYSA-N 0 0 299.304 1.689 20 5 CDBDRN CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000885355486 795839407 /nfs/dbraw/zinc/83/94/07/795839407.db2.gz HBRFTIFHNFCUPC-QMMMGPOBSA-N 0 0 254.242 1.439 20 5 CDBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCS(=O)CC1 ZINC000174847230 795841203 /nfs/dbraw/zinc/84/12/03/795841203.db2.gz IKYWGSKXBVZTIJ-UHFFFAOYSA-N 0 0 288.756 1.813 20 5 CDBDRN CC[C@@]1(C(=O)Oc2cccc([N+](=O)[O-])c2C)CCNC1=O ZINC000875192463 795844551 /nfs/dbraw/zinc/84/45/51/795844551.db2.gz VIJGJLIRVJQUQD-CQSZACIVSA-N 0 0 292.291 1.725 20 5 CDBDRN O=C1NCC[C@H]1CCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000849956816 795850357 /nfs/dbraw/zinc/85/03/57/795850357.db2.gz 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ZINC000413369023 391205624 /nfs/dbraw/zinc/20/56/24/391205624.db2.gz AVBRDUOARIMZAU-PSASIEDQSA-N 0 0 295.295 1.756 20 5 CDBDRN C[C@H](C(=O)N[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1F ZINC000183340451 391206973 /nfs/dbraw/zinc/20/69/73/391206973.db2.gz SSEUFBKEVGTXOP-HJIKLVIJSA-N 0 0 296.298 1.867 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[C@@H](C)O1 ZINC000413373923 391207905 /nfs/dbraw/zinc/20/79/05/391207905.db2.gz IQRVRCJHNZRMJN-MWLCHTKSSA-N 0 0 293.323 1.934 20 5 CDBDRN COc1cccc2c1C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C2 ZINC000413432497 391214272 /nfs/dbraw/zinc/21/42/72/391214272.db2.gz WLBZKCRWVDFHNU-JTQLQIEISA-N 0 0 288.307 1.916 20 5 CDBDRN CC(F)(F)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517732900 391293827 /nfs/dbraw/zinc/29/38/27/391293827.db2.gz NTPXLPMIRZEKQF-VIFPVBQESA-N 0 0 290.266 1.579 20 5 CDBDRN Cc1nc(NC(=O)c2ccncc2)ccc1[N+](=O)[O-] ZINC000133638464 391295368 /nfs/dbraw/zinc/29/53/68/391295368.db2.gz SWKGFXGEVCSGJN-UHFFFAOYSA-N 0 0 258.237 1.946 20 5 CDBDRN CO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000458250656 391300266 /nfs/dbraw/zinc/30/02/66/391300266.db2.gz YWNCNHVRWRBTFN-ZJUUUORDSA-N 0 0 279.296 1.610 20 5 CDBDRN CCC(O)(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184450277 391357446 /nfs/dbraw/zinc/35/74/46/391357446.db2.gz QFJFCXOYRXMIJA-UHFFFAOYSA-N 0 0 281.312 1.458 20 5 CDBDRN Cc1cccc([C@@H](O)CNc2c([N+](=O)[O-])ncn2C)c1 ZINC000268976902 391476280 /nfs/dbraw/zinc/47/62/80/391476280.db2.gz QBEPYKSHZIUYOK-NSHDSACASA-N 0 0 276.296 1.782 20 5 CDBDRN Cc1cn(CC(=O)Nc2cccc(F)c2)nc1[N+](=O)[O-] ZINC000439193107 391528104 /nfs/dbraw/zinc/52/81/04/391528104.db2.gz YYGPQRKVWNLZOM-UHFFFAOYSA-N 0 0 278.243 1.878 20 5 CDBDRN Cc1cccc(C(=O)Nc2nncn2C)c1[N+](=O)[O-] ZINC000159161424 391565126 /nfs/dbraw/zinc/56/51/26/391565126.db2.gz BRMMPQXZWFRGGQ-UHFFFAOYSA-N 0 0 261.241 1.284 20 5 CDBDRN C[C@@H](C[S@](C)=O)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000185106412 391618555 /nfs/dbraw/zinc/61/85/55/391618555.db2.gz GRXLQADZDVYQMO-UGZDLDLSSA-N 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ZINC000914302967 631327020 /nfs/dbraw/zinc/32/70/20/631327020.db2.gz ZBXGSJARXUZGTN-LBPRGKRZSA-N 0 0 280.280 1.652 20 5 CDBDRN CN(CC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000915212335 631672437 /nfs/dbraw/zinc/67/24/37/631672437.db2.gz RJDYNHXZBNXTOE-UHFFFAOYSA-N 0 0 281.287 1.793 20 5 CDBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)O[C@@H]1CCOC1 ZINC000915317388 631698231 /nfs/dbraw/zinc/69/82/31/631698231.db2.gz NHQZEGYLECVSIY-CYBMUJFWSA-N 0 0 294.307 1.995 20 5 CDBDRN COc1ccc(CNC(=S)NC2CC2)cc1[N+](=O)[O-] ZINC000917597502 632250949 /nfs/dbraw/zinc/25/09/49/632250949.db2.gz KXZBHEIVCAYUGC-UHFFFAOYSA-N 0 0 281.337 1.730 20 5 CDBDRN O=[N+]([O-])c1nccn1CCCOCC(F)(F)F ZINC000918359464 632361203 /nfs/dbraw/zinc/36/12/03/632361203.db2.gz BDGSMDKQYJNRAG-UHFFFAOYSA-N 0 0 253.180 1.760 20 5 CDBDRN COCCOCC(=O)OCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000919224622 632533946 /nfs/dbraw/zinc/53/39/46/632533946.db2.gz ORAOIUIBTWDMCP-UHFFFAOYSA-N 0 0 299.279 1.310 20 5 CDBDRN O=C(CNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC001170183119 1162294849 /nfs/dbraw/zinc/29/48/49/1162294849.db2.gz DQQNFGRDMRWTQS-UHFFFAOYSA-N 0 0 272.264 1.609 20 5 CDBDRN COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327653 1162337819 /nfs/dbraw/zinc/33/78/19/1162337819.db2.gz GVQKUEOZXMMZRN-ZYHUDNBSSA-N 0 0 280.324 1.601 20 5 CDBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC(n2ccnc2)C1 ZINC000804546978 1162484622 /nfs/dbraw/zinc/48/46/22/1162484622.db2.gz WGOPBGNKQNIPES-UHFFFAOYSA-N 0 0 289.251 1.761 20 5 CDBDRN Nc1ccc(NCCOCC(F)F)c([N+](=O)[O-])c1 ZINC000804646768 1162494268 /nfs/dbraw/zinc/49/42/68/1162494268.db2.gz PHQKEECBMWPTBK-UHFFFAOYSA-N 0 0 261.228 1.871 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nncn1C ZINC000805427843 1162566931 /nfs/dbraw/zinc/56/69/31/1162566931.db2.gz PEONNTZIRNJSEP-VIFPVBQESA-N 0 0 290.279 1.950 20 5 CDBDRN CC[C@H](CSC)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828512060 1162577006 /nfs/dbraw/zinc/57/70/06/1162577006.db2.gz ZQUZXPKSUBODTA-PWSUYJOCSA-N 0 0 298.364 1.886 20 5 CDBDRN CC[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000807615328 1162767278 /nfs/dbraw/zinc/76/72/78/1162767278.db2.gz HEYYAMCTYCQCFA-JTQLQIEISA-N 0 0 297.263 1.712 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H](C(F)F)C1 ZINC000808063020 1162803612 /nfs/dbraw/zinc/80/36/12/1162803612.db2.gz JMWADHSDUAJYRA-QMMMGPOBSA-N 0 0 290.270 1.590 20 5 CDBDRN Cc1c(C(=O)N[C@@H]2C(=O)OCC2(C)C)cccc1[N+](=O)[O-] ZINC000808104914 1162810751 /nfs/dbraw/zinc/81/07/51/1162810751.db2.gz RLAHRPZEGJGKOW-LLVKDONJSA-N 0 0 292.291 1.585 20 5 CDBDRN O=C(O[C@H]1CCC(=O)NC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000809025134 1162934496 /nfs/dbraw/zinc/93/44/96/1162934496.db2.gz RVECSPHVAGPUAM-JTQLQIEISA-N 0 0 282.227 1.169 20 5 CDBDRN COc1ccc(NC(=O)N[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000782633532 1159425856 /nfs/dbraw/zinc/42/58/56/1159425856.db2.gz KJNHAWJGADWSTO-SNVBAGLBSA-N 0 0 295.295 1.496 20 5 CDBDRN O=C1CC(CNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001168398547 1160980471 /nfs/dbraw/zinc/98/04/71/1160980471.db2.gz RVCBTJUGINCQHB-UHFFFAOYSA-N 0 0 261.241 1.029 20 5 CDBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)C1(CO)CC1 ZINC000696049353 1160998806 /nfs/dbraw/zinc/99/88/06/1160998806.db2.gz KBMRIFDCLWUQSQ-SSDOTTSWSA-N 0 0 278.268 1.704 20 5 CDBDRN CC(C)C(=O)Cn1nc([N+](=O)[O-])nc1Br ZINC000231803293 1161052147 /nfs/dbraw/zinc/05/21/47/1161052147.db2.gz MEGZTPLEGMIYDZ-UHFFFAOYSA-N 0 0 277.078 1.174 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccccn1 ZINC000791293122 1162208442 /nfs/dbraw/zinc/20/84/42/1162208442.db2.gz UTZPTUZGTAUSSP-UHFFFAOYSA-N 0 0 290.254 1.641 20 5 CDBDRN CC[C@@H](C(=O)OC)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000791631660 1162238183 /nfs/dbraw/zinc/23/81/83/1162238183.db2.gz LKLNDDYLCZLCKD-QMMMGPOBSA-N 0 0 299.254 1.976 20 5 CDBDRN COc1cccc(C(=O)OC[C@@H](C)O)c1[N+](=O)[O-] ZINC000792184859 1162266275 /nfs/dbraw/zinc/26/62/75/1162266275.db2.gz LYFWERLFOUCILU-SSDOTTSWSA-N 0 0 255.226 1.141 20 5 CDBDRN CCCn1cc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cn1 ZINC000811808254 1163534882 /nfs/dbraw/zinc/53/48/82/1163534882.db2.gz BBXMRZWNGHZKOZ-UHFFFAOYSA-N 0 0 290.283 1.439 20 5 CDBDRN O=C(NOC1CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000812788522 1163717983 /nfs/dbraw/zinc/71/79/83/1163717983.db2.gz NZUHMBNILSEFIL-UHFFFAOYSA-N 0 0 276.252 1.685 20 5 CDBDRN Nc1ccnc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)n1 ZINC000813349008 1163867479 /nfs/dbraw/zinc/86/74/79/1163867479.db2.gz SISGTUSEUYTAPP-UHFFFAOYSA-N 0 0 298.262 1.438 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CN(C)C(=O)c2ccccc21 ZINC000814045848 1164026445 /nfs/dbraw/zinc/02/64/45/1164026445.db2.gz AUWBOYINIJUMME-CABZTGNLSA-N 0 0 292.291 1.064 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N[C@H]1C=CCCC1 ZINC001607079973 1164071734 /nfs/dbraw/zinc/07/17/34/1164071734.db2.gz FEVBUSQBNCJONC-VIFPVBQESA-N 0 0 287.283 1.691 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001607190916 1164128688 /nfs/dbraw/zinc/12/86/88/1164128688.db2.gz BSVIOQNOCAJDOW-BXKDBHETSA-N 0 0 294.307 1.756 20 5 CDBDRN C[C@H]1COCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794619947 1164527257 /nfs/dbraw/zinc/52/72/57/1164527257.db2.gz MXUUKUIFROGVOA-VIFPVBQESA-N 0 0 293.279 1.181 20 5 CDBDRN O=C([O-])C1=CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001608586567 1164557946 /nfs/dbraw/zinc/55/79/46/1164557946.db2.gz MWJOLDVBIGWIOX-YPMHNXCESA-N 0 0 292.291 1.391 20 5 CDBDRN CC(C)CO[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000120798898 1164704383 /nfs/dbraw/zinc/70/43/83/1164704383.db2.gz SBODQOUEGUIHDA-GFCCVEGCSA-N 0 0 268.317 1.496 20 5 CDBDRN COC/C=C/C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000866114144 1164737107 /nfs/dbraw/zinc/73/71/07/1164737107.db2.gz WCEJVQVFXBKRPH-QPJJXVBHSA-N 0 0 264.281 1.456 20 5 CDBDRN Cc1cccc(C(=O)OCc2nccn2C)c1[N+](=O)[O-] ZINC000122034330 1164914483 /nfs/dbraw/zinc/91/44/83/1164914483.db2.gz GBIHUODVBAHXMW-UHFFFAOYSA-N 0 0 275.264 1.994 20 5 CDBDRN C[C@H](NC(=O)CCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000868608522 1164969365 /nfs/dbraw/zinc/96/93/65/1164969365.db2.gz KJJHIMXIZDUFPE-JTQLQIEISA-N 0 0 266.297 1.935 20 5 CDBDRN O=C(Nc1cccnn1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000123007539 1165151873 /nfs/dbraw/zinc/15/18/73/1165151873.db2.gz IICPBXXZYRBGQC-UHFFFAOYSA-N 0 0 280.190 1.915 20 5 CDBDRN C[C@@](N)(C(=O)N1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000870867338 1165224856 /nfs/dbraw/zinc/22/48/56/1165224856.db2.gz FHOXSZFXMOWXMP-ZDUSSCGKSA-N 0 0 295.364 1.344 20 5 CDBDRN CO[C@@H](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825594828 1165418617 /nfs/dbraw/zinc/41/86/17/1165418617.db2.gz HOBOPEBFXUSMLP-CABZTGNLSA-N 0 0 282.296 1.169 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2COCC2(C)C)c1 ZINC000876026159 1165795572 /nfs/dbraw/zinc/79/55/72/1165795572.db2.gz VLNOJNCTPMXTLX-UHFFFAOYSA-N 0 0 280.280 1.812 20 5 CDBDRN COC[C@@](C)(NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000878333480 1166176189 /nfs/dbraw/zinc/17/61/89/1166176189.db2.gz VMKZDJZJFFKZHP-CQSZACIVSA-N 0 0 296.323 1.571 20 5 CDBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001644934123 1167355935 /nfs/dbraw/zinc/35/59/35/1167355935.db2.gz IGRZSWMGHYTINS-OOJXKGFFSA-N 0 0 250.258 1.092 20 5 CDBDRN Nc1nc(NCc2nc3c(s2)CCC3)ncc1[N+](=O)[O-] ZINC001307209034 1167450319 /nfs/dbraw/zinc/45/03/19/1167450319.db2.gz VMBSATVSEBOVNR-UHFFFAOYSA-N 0 0 292.324 1.524 20 5 CDBDRN CN(Cc1ccn(C)n1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001307196249 1167455839 /nfs/dbraw/zinc/45/58/39/1167455839.db2.gz NNRBRIJOSDTMBE-UHFFFAOYSA-N 0 0 291.267 1.873 20 5 CDBDRN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1cn[nH]n1 ZINC001575651803 1171237567 /nfs/dbraw/zinc/23/75/67/1171237567.db2.gz WTOBOYCKBQXEBC-ZCFIWIBFSA-N 0 0 279.231 1.343 20 5 CDBDRN C[C@@]([NH3+])(C(=O)[N-]OC/C=C\Cl)c1cccc([N+](=O)[O-])c1 ZINC001576086744 1171328061 /nfs/dbraw/zinc/32/80/61/1171328061.db2.gz ZTQOMUHKFYIHSN-RYBZSIHZSA-N 0 0 299.714 1.569 20 5 CDBDRN C[C@](N)(C(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC001576086693 1171330043 /nfs/dbraw/zinc/33/00/43/1171330043.db2.gz YDQYBMNSNQYZNW-CQSZACIVSA-N 0 0 286.291 1.802 20 5 CDBDRN CO[C@H](C)CN(C)c1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591323327 1173609853 /nfs/dbraw/zinc/60/98/53/1173609853.db2.gz XDHNMRKFORZUOY-MRVPVSSYSA-N 0 0 292.299 1.246 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1Oc1cccnc1 ZINC001593482946 1174083618 /nfs/dbraw/zinc/08/36/18/1174083618.db2.gz IUKGOKDWFOPKJO-UHFFFAOYSA-N 0 0 284.235 1.962 20 5 CDBDRN O=[N+]([O-])c1ccc(Cn2ccnn2)c(Br)c1 ZINC000128019693 1175586168 /nfs/dbraw/zinc/58/61/68/1175586168.db2.gz DHRPKMGIKDLXSL-UHFFFAOYSA-N 0 0 283.085 1.997 20 5 CDBDRN CC(=O)NCCNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000132886669 1175799069 /nfs/dbraw/zinc/79/90/69/1175799069.db2.gz JISJTJAXHBOWPB-UHFFFAOYSA-N 0 0 259.212 1.421 20 5 CDBDRN CN(c1cc([N+](=O)[O-])cc(Cl)n1)[C@H]1CCOC1 ZINC000219999278 1177906730 /nfs/dbraw/zinc/90/67/30/1177906730.db2.gz RZUZPGLXRBQHEA-ZETCQYMHSA-N 0 0 257.677 1.868 20 5 CDBDRN COC(=O)c1ncn(-c2ccc([N+](=O)[O-])cc2)c1N ZINC000234706457 1178223119 /nfs/dbraw/zinc/22/31/19/1178223119.db2.gz CSHWSYKQBGMJFQ-UHFFFAOYSA-N 0 0 262.225 1.149 20 5 CDBDRN Cc1cnc(NC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000235831252 1178244672 /nfs/dbraw/zinc/24/46/72/1178244672.db2.gz PYDYCNNOGDGOQI-SSDOTTSWSA-N 0 0 265.191 1.633 20 5 CDBDRN Cc1cccc(N[C@H]2CCC(=O)NC2=O)c1[N+](=O)[O-] ZINC000235928991 1178245824 /nfs/dbraw/zinc/24/58/24/1178245824.db2.gz IJLKVUACVINLRN-VIFPVBQESA-N 0 0 263.253 1.120 20 5 CDBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)N(C)C[C@@H]1C ZINC001164641711 719216660 /nfs/dbraw/zinc/21/66/60/719216660.db2.gz UWRUNWBGVHKACZ-UWVGGRQHSA-N 0 0 280.328 1.065 20 5 CDBDRN C[C@H](O)C[C@@H]1CCCN1c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865635477 1164674736 /nfs/dbraw/zinc/67/47/36/1164674736.db2.gz DMHQDDYSKNHEGU-ONGXEEELSA-N 0 0 298.314 1.966 20 5 CDBDRN O=[N+]([O-])c1cc(CO)c(N2CC[C@@](F)(CO)C2)cc1F ZINC000865767705 1164690925 /nfs/dbraw/zinc/69/09/25/1164690925.db2.gz YEDCVTBSGRIDCA-LBPRGKRZSA-N 0 0 288.250 1.137 20 5 CDBDRN C[C@@H]1C[C@H](O)CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865865386 1164702276 /nfs/dbraw/zinc/70/22/76/1164702276.db2.gz ZCCYAQRLAXSXPR-SCZZXKLOSA-N 0 0 284.287 1.433 20 5 CDBDRN O=C([O-])C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001610753543 1165429351 /nfs/dbraw/zinc/42/93/51/1165429351.db2.gz CYSXVDHFEDSZAQ-QWHCGFSZSA-N 0 0 294.307 1.471 20 5 CDBDRN O=C([O-])C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC001610759065 1165431334 /nfs/dbraw/zinc/43/13/34/1165431334.db2.gz AYODFZDTFHMRPQ-AWEZNQCLSA-N 0 0 294.307 1.708 20 5 CDBDRN C[C@@H]1CSCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825978663 1166052268 /nfs/dbraw/zinc/05/22/68/1166052268.db2.gz OZLAMCGRDAEKSJ-SECBINFHSA-N 0 0 260.359 1.786 20 5 CDBDRN COC(=O)[C@](C)(NC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000826080933 1166262059 /nfs/dbraw/zinc/26/20/59/1166262059.db2.gz SZSKHWCGHKMHDE-CYBMUJFWSA-N 0 0 286.328 1.280 20 5 CDBDRN CO[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886188203 811867198 /nfs/dbraw/zinc/86/71/98/811867198.db2.gz MWNFXMDSURYAKY-PWSUYJOCSA-N 0 0 265.313 1.989 20 5 CDBDRN Cc1cccc(C(=O)NCCOC(=O)N(C)C)c1[N+](=O)[O-] ZINC000855654073 812362635 /nfs/dbraw/zinc/36/26/35/812362635.db2.gz OBFUUMINWXPOPW-UHFFFAOYSA-N 0 0 295.295 1.331 20 5 CDBDRN CCOCC1(C(=O)OCCn2ccc([N+](=O)[O-])n2)CC1 ZINC000799554663 812843933 /nfs/dbraw/zinc/84/39/33/812843933.db2.gz AVSKIYUKVUZDHZ-UHFFFAOYSA-N 0 0 283.284 1.151 20 5 CDBDRN O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841207790 812865465 /nfs/dbraw/zinc/86/54/65/812865465.db2.gz JKHNGMMNPGGTPU-JQCXWYLXSA-N 0 0 297.229 1.552 20 5 CDBDRN O=C(CCNOCC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000819330386 813326083 /nfs/dbraw/zinc/32/60/83/813326083.db2.gz PLBILBSUNVCGTN-UHFFFAOYSA-N 0 0 279.296 1.855 20 5 CDBDRN Cc1cccc(C(=O)O[C@H]2CCOC2=O)c1[N+](=O)[O-] ZINC000777748869 814213226 /nfs/dbraw/zinc/21/32/26/814213226.db2.gz IJLNBMVAKBKVMY-VIFPVBQESA-N 0 0 265.221 1.376 20 5 CDBDRN O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc([N+](=O)[O-])[nH]1 ZINC000715674102 814759181 /nfs/dbraw/zinc/75/91/81/814759181.db2.gz SRVPRRLAYOPOPU-VIFPVBQESA-N 0 0 295.295 1.338 20 5 CDBDRN Cc1cccc(C(=O)OCCCC(=O)N(C)C)c1[N+](=O)[O-] ZINC000787970538 804990555 /nfs/dbraw/zinc/99/05/55/804990555.db2.gz UGPYNKUTGCUWNI-UHFFFAOYSA-N 0 0 294.307 1.928 20 5 CDBDRN Cc1cc(C(=O)N[C@@H]2CO[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000844105806 805010419 /nfs/dbraw/zinc/01/04/19/805010419.db2.gz KOJYYDJNAIUWQU-IUCAKERBSA-N 0 0 279.296 1.393 20 5 CDBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C=CCC1 ZINC000853799831 805013974 /nfs/dbraw/zinc/01/39/74/805013974.db2.gz MMXPOSANLPIMNC-MRVPVSSYSA-N 0 0 283.309 1.373 20 5 CDBDRN CON(CCn1cc([N+](=O)[O-])cn1)CC1CCOCC1 ZINC000801603710 805032481 /nfs/dbraw/zinc/03/24/81/805032481.db2.gz HMGNYBGEAPYPQA-UHFFFAOYSA-N 0 0 284.316 1.081 20 5 CDBDRN CON(C)C(=O)[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000858842432 805043719 /nfs/dbraw/zinc/04/37/19/805043719.db2.gz NDVXQGBKJSDONO-SSDOTTSWSA-N 0 0 271.248 1.554 20 5 CDBDRN CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1c(C)noc1C ZINC000839715110 805067551 /nfs/dbraw/zinc/06/75/51/805067551.db2.gz NWBNHVRPUYIGGL-KXUCPTDWSA-N 0 0 267.285 1.524 20 5 CDBDRN CCc1[nH]nc(C(=O)OCc2cc(C)n(C)n2)c1[N+](=O)[O-] ZINC000795614792 805074561 /nfs/dbraw/zinc/07/45/61/805074561.db2.gz SFCJMRQGVXFHEM-UHFFFAOYSA-N 0 0 293.283 1.279 20 5 CDBDRN O=[N+]([O-])CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000930612133 805086415 /nfs/dbraw/zinc/08/64/15/805086415.db2.gz NMCXDUWKOSAMCV-NSHDSACASA-N 0 0 292.257 1.995 20 5 CDBDRN Cn1cc(CONC(=O)C2CCCC2)c([N+](=O)[O-])n1 ZINC000882968798 805149776 /nfs/dbraw/zinc/14/97/76/805149776.db2.gz YIDXYFKWHAXJAE-UHFFFAOYSA-N 0 0 268.273 1.066 20 5 CDBDRN CC(C)n1ncc2cc(C(=O)OCCC[N+](=O)[O-])cnc21 ZINC000860913345 805263425 /nfs/dbraw/zinc/26/34/25/805263425.db2.gz ZLEKMEHAGDRMTR-UHFFFAOYSA-N 0 0 292.295 1.836 20 5 CDBDRN CSCC[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000781454595 805281487 /nfs/dbraw/zinc/28/14/87/805281487.db2.gz OOUGPJMHRHNBGO-QMMMGPOBSA-N 0 0 284.341 1.675 20 5 CDBDRN Nc1ccc([N+](=O)[O-])c(NCCS(=O)(=O)CC2CC2)c1 ZINC000800858777 805288183 /nfs/dbraw/zinc/28/81/83/805288183.db2.gz LTVSYLUFFKRKDT-UHFFFAOYSA-N 0 0 299.352 1.414 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1(C(=O)OC(C)(C)C)CC=CC1 ZINC000851044884 805349184 /nfs/dbraw/zinc/34/91/84/805349184.db2.gz HSDHNVDMEPYQMG-JTQLQIEISA-N 0 0 299.323 1.873 20 5 CDBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CCO)C1CC1 ZINC000845828518 805365552 /nfs/dbraw/zinc/36/55/52/805365552.db2.gz PRFGBNALYFCSGH-LBPRGKRZSA-N 0 0 296.298 1.554 20 5 CDBDRN C[C@@H](O)C1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000862221828 811123524 /nfs/dbraw/zinc/12/35/24/811123524.db2.gz HMFLMMFZQXEOLL-SSDOTTSWSA-N 0 0 284.699 1.891 20 5 CDBDRN CC[C@H](O)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000162868966 811145184 /nfs/dbraw/zinc/14/51/84/811145184.db2.gz XLOHTLMTGOQEPA-LBPRGKRZSA-N 0 0 262.269 1.678 20 5 CDBDRN Cc1ccc([C@@H](O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000123326324 811197850 /nfs/dbraw/zinc/19/78/50/811197850.db2.gz CVLRBBIZFUGEDQ-ZDUSSCGKSA-N 0 0 274.276 1.799 20 5 CDBDRN CC[C@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000247728373 811204992 /nfs/dbraw/zinc/20/49/92/811204992.db2.gz TZYZIOGCPPUAKX-SKDRFNHKSA-N 0 0 282.344 1.865 20 5 CDBDRN O=C(CNc1ccccc1[N+](=O)[O-])O[C@@H]1CCOC1 ZINC000107015214 811205984 /nfs/dbraw/zinc/20/59/84/811205984.db2.gz GHNOAEZHCGQTBL-SECBINFHSA-N 0 0 266.253 1.339 20 5 CDBDRN CO[C@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCOC1 ZINC000123076728 811222296 /nfs/dbraw/zinc/22/22/96/811222296.db2.gz BPSWCKWAPZGRON-LBPRGKRZSA-N 0 0 294.267 1.348 20 5 CDBDRN CCc1nocc1COC(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000848744971 811225801 /nfs/dbraw/zinc/22/58/01/811225801.db2.gz FENNSKJYANQDTM-UHFFFAOYSA-N 0 0 294.267 1.788 20 5 CDBDRN CC1(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000125015685 811231414 /nfs/dbraw/zinc/23/14/14/811231414.db2.gz IDTVFKLACVSOAP-UHFFFAOYSA-N 0 0 295.295 1.869 20 5 CDBDRN O=C(NCC1(C2CC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827588623 811285167 /nfs/dbraw/zinc/28/51/67/811285167.db2.gz KDLYOSNITWTXSF-CYBMUJFWSA-N 0 0 290.319 1.935 20 5 CDBDRN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)O1 ZINC000839771671 811333611 /nfs/dbraw/zinc/33/36/11/811333611.db2.gz SRWKQRDZNQHBQM-LDWIPMOCSA-N 0 0 282.227 1.168 20 5 CDBDRN C[C@H]1CO[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000887730224 811349795 /nfs/dbraw/zinc/34/97/95/811349795.db2.gz JTHZLQHMPAVZGF-KCJUWKMLSA-N 0 0 250.254 1.958 20 5 CDBDRN COC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000086707441 811355119 /nfs/dbraw/zinc/35/51/19/811355119.db2.gz PMTVVSLVALAJCJ-NSHDSACASA-N 0 0 281.312 1.578 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CO[C@@H](C)C1 ZINC000784020057 811356089 /nfs/dbraw/zinc/35/60/89/811356089.db2.gz IUKDXMSSRUWABD-DTWKUNHWSA-N 0 0 281.264 1.934 20 5 CDBDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H](O)C1CCC1 ZINC000868792835 811361365 /nfs/dbraw/zinc/36/13/65/811361365.db2.gz BGIYUUTWYANDEX-LBPRGKRZSA-N 0 0 296.298 1.554 20 5 CDBDRN CNC(=O)CCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000234343226 811363922 /nfs/dbraw/zinc/36/39/22/811363922.db2.gz MHONXAQDNVNQSR-UHFFFAOYSA-N 0 0 299.714 1.456 20 5 CDBDRN O=C(N[C@@H](c1ccccc1)c1ccncc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839490988 811364589 /nfs/dbraw/zinc/36/45/89/811364589.db2.gz ASJVXEBKPSYPPT-KFWWJZLASA-N 0 0 297.314 1.952 20 5 CDBDRN O=C(NCC(F)F)c1cc(F)c([N+](=O)[O-])cc1F ZINC000128814974 811383270 /nfs/dbraw/zinc/38/32/70/811383270.db2.gz ATRCCSWEGIXZTA-UHFFFAOYSA-N 0 0 266.150 1.868 20 5 CDBDRN CC[C@@H]1CN(Cn2nccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000844725007 811396525 /nfs/dbraw/zinc/39/65/25/811396525.db2.gz GIVVFMPPMWTYOW-WDEREUQCSA-N 0 0 268.317 1.638 20 5 CDBDRN COc1c(C(=O)N=c2sccn2C)cccc1[N+](=O)[O-] ZINC000793320190 811400535 /nfs/dbraw/zinc/40/05/35/811400535.db2.gz AOPMKNQDKSDUJD-UHFFFAOYSA-N 0 0 293.304 1.745 20 5 CDBDRN Cc1noc(COC(=O)[C@@](C)(O)C2CC2)c1[N+](=O)[O-] ZINC000853916723 811425618 /nfs/dbraw/zinc/42/56/18/811425618.db2.gz JCNCFWYROHURCO-NSHDSACASA-N 0 0 270.241 1.095 20 5 CDBDRN CON1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000853671444 811449323 /nfs/dbraw/zinc/44/93/23/811449323.db2.gz SMOUCSZVFWJCFY-UHFFFAOYSA-N 0 0 288.307 1.826 20 5 CDBDRN CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N)s1 ZINC000195178772 811611920 /nfs/dbraw/zinc/61/19/20/811611920.db2.gz YRLYWBAULUSWFQ-UHFFFAOYSA-N 0 0 293.308 1.843 20 5 CDBDRN O=[N+]([O-])c1c(NCC2OCCCO2)nc2sccn21 ZINC000716330000 811614762 /nfs/dbraw/zinc/61/47/62/811614762.db2.gz CJTQNOFYMDNWFT-UHFFFAOYSA-N 0 0 284.297 1.479 20 5 CDBDRN COC[C@@H](C)Nc1ccccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840443408 811624781 /nfs/dbraw/zinc/62/47/81/811624781.db2.gz XYFJXTLQJNIXIQ-GIPNMCIBSA-N 0 0 293.323 1.737 20 5 CDBDRN O=C(N[C@H]1CC[C@H](O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000252703513 811635759 /nfs/dbraw/zinc/63/57/59/811635759.db2.gz KEIKVWGRZUTANE-MGCOHNPYSA-N 0 0 282.271 1.767 20 5 CDBDRN O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCCO)C2CC2)cc1 ZINC000776585609 811650525 /nfs/dbraw/zinc/65/05/25/811650525.db2.gz XUNKIDMNMGJYOD-AWEZNQCLSA-N 0 0 280.324 1.475 20 5 CDBDRN CC[C@@H](OC)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791795697 811699489 /nfs/dbraw/zinc/69/94/89/811699489.db2.gz ISEQMLJIUVVTIJ-LLVKDONJSA-N 0 0 298.251 1.971 20 5 CDBDRN Cc1c(CNC(=O)[C@H]2C[C@H](C)CO2)cccc1[N+](=O)[O-] ZINC000890175079 811730930 /nfs/dbraw/zinc/73/09/30/811730930.db2.gz QHCHBXKXYZISRF-TVQRCGJNSA-N 0 0 278.308 1.944 20 5 CDBDRN Cc1nn(Cc2ncc(Cl)n2C)c(C)c1[N+](=O)[O-] ZINC000014760908 811731743 /nfs/dbraw/zinc/73/17/43/811731743.db2.gz DGYJUMPWSBSCGP-UHFFFAOYSA-N 0 0 269.692 1.843 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000839720355 811732287 /nfs/dbraw/zinc/73/22/87/811732287.db2.gz GRZYJYGMLKXPPS-BFHYXJOUSA-N 0 0 290.319 1.122 20 5 CDBDRN COc1ccc(C(=O)OCc2cnnn2C)cc1[N+](=O)[O-] ZINC000809135418 811764850 /nfs/dbraw/zinc/76/48/50/811764850.db2.gz XCYAFKIAEFWMMD-UHFFFAOYSA-N 0 0 292.251 1.089 20 5 CDBDRN CCCc1[nH]nc(C(=O)OCCCOCC)c1[N+](=O)[O-] ZINC000796261278 811764898 /nfs/dbraw/zinc/76/48/98/811764898.db2.gz SWQLHQMNVOXJGD-UHFFFAOYSA-N 0 0 285.300 1.854 20 5 CDBDRN COc1ccc2c(=O)[nH]n(C(=O)[C@@H]3CC3[N+](=O)[O-])c2c1 ZINC000854506624 811784146 /nfs/dbraw/zinc/78/41/46/811784146.db2.gz HCVYRQJYHQJQQB-PSASIEDQSA-N 0 0 277.236 1.056 20 5 CDBDRN O=C(CCc1nc2ccccc2o1)OCCC[N+](=O)[O-] ZINC000860912405 811800789 /nfs/dbraw/zinc/80/07/89/811800789.db2.gz NAJXRBWBDXVCPO-UHFFFAOYSA-N 0 0 278.264 1.970 20 5 CDBDRN CC(C)(CCC(=O)OCCO[C@H]1CCCCO1)[N+](=O)[O-] ZINC000837923711 811805046 /nfs/dbraw/zinc/80/50/46/811805046.db2.gz AYZXENLEULOOJY-LBPRGKRZSA-N 0 0 289.328 1.908 20 5 CDBDRN COc1ccccc1C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839617783 811827460 /nfs/dbraw/zinc/82/74/60/811827460.db2.gz BOHPKXUTSSUGRK-ZYHUDNBSSA-N 0 0 290.319 1.508 20 5 CDBDRN CC(C)N=c1ccccn1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000255328818 811839452 /nfs/dbraw/zinc/83/94/52/811839452.db2.gz QDYQWDISNLDSBB-UHFFFAOYSA-N 0 0 289.295 1.242 20 5 CDBDRN C[C@@H]1[C@H](C)OCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886042365 811850328 /nfs/dbraw/zinc/85/03/28/811850328.db2.gz ZULLMIYSDAMUCM-ZJUUUORDSA-N 0 0 251.286 1.599 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000845578601 811882133 /nfs/dbraw/zinc/88/21/33/811882133.db2.gz ZRYXPDPMMFKTNM-DTWKUNHWSA-N 0 0 267.285 1.602 20 5 CDBDRN CCCc1[nH]nc(C(=O)OCCC[C@@H](C)O)c1[N+](=O)[O-] ZINC000796261357 811889033 /nfs/dbraw/zinc/88/90/33/811889033.db2.gz MYDFBKDCMQHBCQ-MRVPVSSYSA-N 0 0 285.300 1.588 20 5 CDBDRN Cc1c([N+](=O)[O-])ccc(F)c1NCC(=O)N1CCC1 ZINC000799972529 811890319 /nfs/dbraw/zinc/89/03/19/811890319.db2.gz MUGDZQWTVLTPSS-UHFFFAOYSA-N 0 0 267.260 1.687 20 5 CDBDRN Cc1nnc([C@H](C)OC(=O)c2c(N)cccc2[N+](=O)[O-])[nH]1 ZINC000840419619 811902449 /nfs/dbraw/zinc/90/24/49/811902449.db2.gz XMLUBCPYLWRBOS-LURJTMIESA-N 0 0 291.267 1.522 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000781485647 811929771 /nfs/dbraw/zinc/92/97/71/811929771.db2.gz NMOJUSGNBKPJQK-SECBINFHSA-N 0 0 294.311 1.864 20 5 CDBDRN COC(=O)[C@H]1[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000813621072 811958431 /nfs/dbraw/zinc/95/84/31/811958431.db2.gz NVUCLQRRALRIEX-GDGBQDQQSA-N 0 0 280.255 1.589 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CCOC1 ZINC000816443355 812016790 /nfs/dbraw/zinc/01/67/90/812016790.db2.gz MUDHYIPDFKYANI-VIFPVBQESA-N 0 0 268.269 1.517 20 5 CDBDRN Cc1cc(N2CCC(CO)(CO)CC2)c([N+](=O)[O-])s1 ZINC000872677840 812020542 /nfs/dbraw/zinc/02/05/42/812020542.db2.gz GZQLJFVGEIOUPB-UHFFFAOYSA-N 0 0 286.353 1.536 20 5 CDBDRN C[C@H](COC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)[N+](=O)[O-] ZINC000813109027 812071217 /nfs/dbraw/zinc/07/12/17/812071217.db2.gz DMSYENBAUFXDLD-SFYZADRCSA-N 0 0 294.263 1.228 20 5 CDBDRN 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CDBDRN CC[C@H](C)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003383600 813374555 /nfs/dbraw/zinc/37/45/55/813374555.db2.gz XSSYBBYLPJNLSQ-VIFPVBQESA-N 0 0 280.280 1.666 20 5 CDBDRN COC(=O)N1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000853253213 813378748 /nfs/dbraw/zinc/37/87/48/813378748.db2.gz ZIIADNAGNZAFSU-MRVPVSSYSA-N 0 0 296.283 1.338 20 5 CDBDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572274 813382433 /nfs/dbraw/zinc/38/24/33/813382433.db2.gz PCYOXHCJIUGPML-JHJVBQTASA-N 0 0 260.293 1.764 20 5 CDBDRN Cc1cc(S(=O)(=O)N[C@@H](C)CF)c(F)cc1[N+](=O)[O-] ZINC000885409452 813407065 /nfs/dbraw/zinc/40/70/65/813407065.db2.gz RLDPGYDHBSUKCZ-ZETCQYMHSA-N 0 0 294.279 1.679 20 5 CDBDRN CCO[C@H]1C[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814997 813494263 /nfs/dbraw/zinc/49/42/63/813494263.db2.gz CZJWXGRQGGLGET-IUCAKERBSA-N 0 0 269.301 1.950 20 5 CDBDRN O=[N+]([O-])c1c(N2C[C@H]3[C@@H](C2)C3(F)F)nc2ccccn21 ZINC000845753000 813499578 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C[C@@H](CO)N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893727916 813655057 /nfs/dbraw/zinc/65/50/57/813655057.db2.gz WUKQTNLXOKIRJB-VIFPVBQESA-N 0 0 291.307 1.264 20 5 CDBDRN COC[C@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823988911 813760518 /nfs/dbraw/zinc/76/05/18/813760518.db2.gz ZQDYJPDKUDQPBI-VIFPVBQESA-N 0 0 294.311 1.677 20 5 CDBDRN CNc1nccc(C(=O)OCC[C@@H](C)C(C)=O)c1[N+](=O)[O-] ZINC000849820712 813772535 /nfs/dbraw/zinc/77/25/35/813772535.db2.gz HAUIIXHNAXWLAU-MRVPVSSYSA-N 0 0 295.295 1.804 20 5 CDBDRN COC(=O)c1cccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1Cl ZINC000841244585 813807029 /nfs/dbraw/zinc/80/70/29/813807029.db2.gz ATSCMFMWRUWFLY-VXNVDRBHSA-N 0 0 298.682 1.730 20 5 CDBDRN C[C@H](O)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000163481377 813811417 /nfs/dbraw/zinc/81/14/17/813811417.db2.gz VUBLTIXLIVRAOY-ZETCQYMHSA-N 0 0 266.232 1.427 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]1C(N)=O ZINC000877569437 813813116 /nfs/dbraw/zinc/81/31/16/813813116.db2.gz QKNIPQZPCLBNDB-CYBMUJFWSA-N 0 0 277.324 1.661 20 5 CDBDRN CCC(=O)COC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000869897275 813830261 /nfs/dbraw/zinc/83/02/61/813830261.db2.gz PFNBWNOIRPCJDV-UHFFFAOYSA-N 0 0 255.201 1.870 20 5 CDBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1O ZINC000161224140 813832426 /nfs/dbraw/zinc/83/24/26/813832426.db2.gz KBCXTERSFBBPNN-DGCLKSJQSA-N 0 0 293.323 1.304 20 5 CDBDRN CCOC(=O)[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000048769929 813856399 /nfs/dbraw/zinc/85/63/99/813856399.db2.gz GSMWWMIHJSTEJL-VIFPVBQESA-N 0 0 280.280 1.205 20 5 CDBDRN COC/C=C/C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000867870381 813858194 /nfs/dbraw/zinc/85/81/94/813858194.db2.gz USFXNVPXOVZVFE-NSCUHMNNSA-N 0 0 294.311 1.157 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1 ZINC000855422862 813860766 /nfs/dbraw/zinc/86/07/66/813860766.db2.gz ZISZPGPYGBEJIZ-SNVBAGLBSA-N 0 0 262.265 1.808 20 5 CDBDRN O=C(CC1CC1)Cn1cc([N+](=O)[O-])nc1Br ZINC000849992311 813864335 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CN(Cc1cnn(C)c1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804329651 813881872 /nfs/dbraw/zinc/88/18/72/813881872.db2.gz SAAMZXSGTLBFSF-UHFFFAOYSA-N 0 0 291.267 1.873 20 5 CDBDRN CN1CC[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)C1=O ZINC000081084239 813884104 /nfs/dbraw/zinc/88/41/04/813884104.db2.gz PNHYMSSDRZILIA-GFCCVEGCSA-N 0 0 261.281 1.188 20 5 CDBDRN COCC1(O)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000839031406 813887550 /nfs/dbraw/zinc/88/75/50/813887550.db2.gz SGQZODMBCVBPMX-UHFFFAOYSA-N 0 0 295.295 1.128 20 5 CDBDRN CON(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000804582721 813910075 /nfs/dbraw/zinc/91/00/75/813910075.db2.gz GDLPRHOXXKOVNT-UHFFFAOYSA-N 0 0 282.300 1.622 20 5 CDBDRN O=C(NC1(CO)CCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935179384 813915033 /nfs/dbraw/zinc/91/50/33/813915033.db2.gz NNIFNENUTHMDCG-STQMWFEESA-N 0 0 290.319 1.730 20 5 CDBDRN C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000782868907 813932078 /nfs/dbraw/zinc/93/20/78/813932078.db2.gz PUEGAAMUFGRCHP-QMMMGPOBSA-N 0 0 295.270 1.037 20 5 CDBDRN C[C@H](OC(=O)CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000124141824 813935488 /nfs/dbraw/zinc/93/54/88/813935488.db2.gz ZWRZGSUDKGGLCQ-NSHDSACASA-N 0 0 294.307 1.531 20 5 CDBDRN CC1([C@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)OCCO1 ZINC000784254190 813969074 /nfs/dbraw/zinc/96/90/74/813969074.db2.gz HNOUCEBCOLWLSX-NSHDSACASA-N 0 0 293.323 1.969 20 5 CDBDRN O=C1CC[C@@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)O1 ZINC000849898159 813984667 /nfs/dbraw/zinc/98/46/67/813984667.db2.gz JQXNFRBQICFKST-VIFPVBQESA-N 0 0 288.259 1.615 20 5 CDBDRN CSc1cccc(C(=O)OCCCO)c1[N+](=O)[O-] ZINC000777073827 813987575 /nfs/dbraw/zinc/98/75/75/813987575.db2.gz DPDVKMPJNRPDSA-UHFFFAOYSA-N 0 0 271.294 1.856 20 5 CDBDRN CC(C)(CCC(=O)N1CCOCC12CC2)[N+](=O)[O-] ZINC000831964645 814002091 /nfs/dbraw/zinc/00/20/91/814002091.db2.gz FBALVINUVRPKLA-UHFFFAOYSA-N 0 0 256.302 1.213 20 5 CDBDRN CC[C@H]1CO[C@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826574549 814014522 /nfs/dbraw/zinc/01/45/22/814014522.db2.gz SQGZKSDCGXMFQV-MNOVXSKESA-N 0 0 272.345 1.848 20 5 CDBDRN Cn1cnc(C(=O)OCc2cccc([N+](=O)[O-])c2)n1 ZINC000810558848 814019561 /nfs/dbraw/zinc/01/95/61/814019561.db2.gz WQCOEVNVHWEHDI-UHFFFAOYSA-N 0 0 262.225 1.080 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1NCCOC[C@@H]1CCCO1 ZINC000881984707 814063326 /nfs/dbraw/zinc/06/33/26/814063326.db2.gz APWLQOVLCHRZMF-VIFPVBQESA-N 0 0 285.275 1.736 20 5 CDBDRN COCOCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000848167133 814144235 /nfs/dbraw/zinc/14/42/35/814144235.db2.gz DPGCZJKBGXBXEC-UHFFFAOYSA-N 0 0 282.296 1.644 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000843860304 814177089 /nfs/dbraw/zinc/17/70/89/814177089.db2.gz YUOIPNGAJGBVJU-PRHODGIISA-N 0 0 296.298 1.885 20 5 CDBDRN Nc1c(F)c(N2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000777823705 814210365 /nfs/dbraw/zinc/21/03/65/814210365.db2.gz ZGBNSUNCIAIGCI-MRVPVSSYSA-N 0 0 269.276 1.667 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1COC(=O)c1cc[nH]n1 ZINC000797471199 814237875 /nfs/dbraw/zinc/23/78/75/814237875.db2.gz GABSRLBMRHVUFB-UHFFFAOYSA-N 0 0 277.236 1.684 20 5 CDBDRN Nc1ccc(N2CCO[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000804486920 814274298 /nfs/dbraw/zinc/27/42/98/814274298.db2.gz RXWCOOOTDLDDEG-JTQLQIEISA-N 0 0 291.229 1.945 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCCOC1 ZINC000102708135 814308411 /nfs/dbraw/zinc/30/84/11/814308411.db2.gz HWSYDQDOBZIFTQ-JTQLQIEISA-N 0 0 283.284 1.070 20 5 CDBDRN O=[N+]([O-])c1ncccc1C[NH2+]C1(CO)CCSCC1 ZINC000886242855 814314738 /nfs/dbraw/zinc/31/47/38/814314738.db2.gz GOFIKQILBDWLSG-UHFFFAOYSA-N 0 0 283.353 1.338 20 5 CDBDRN CC(=O)N[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001063344170 814330627 /nfs/dbraw/zinc/33/06/27/814330627.db2.gz OJPFJWVFIXSXDC-MGCOHNPYSA-N 0 0 296.302 1.988 20 5 CDBDRN CN1CC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000712529135 814357169 /nfs/dbraw/zinc/35/71/69/814357169.db2.gz MWEYKKHOSUIWPN-SSDOTTSWSA-N 0 0 256.693 1.181 20 5 CDBDRN Cc1nn(CN2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179543273 814357657 /nfs/dbraw/zinc/35/76/57/814357657.db2.gz RSOKRLGVZRLDCO-JTQLQIEISA-N 0 0 290.323 1.931 20 5 CDBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)NN1CCCC1=O ZINC000935289422 814359220 /nfs/dbraw/zinc/35/92/20/814359220.db2.gz FLUPAOIYZJOBNZ-UHFFFAOYSA-N 0 0 295.320 1.584 20 5 CDBDRN Cc1nn(C)c2ncc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc12 ZINC000813106172 814363368 /nfs/dbraw/zinc/36/33/68/814363368.db2.gz ZXAWZHXBRGNPJP-SSDOTTSWSA-N 0 0 278.268 1.099 20 5 CDBDRN O=[N+]([O-])c1ccn(C2CCN(c3cc(F)ncn3)CC2)n1 ZINC000853545249 814378562 /nfs/dbraw/zinc/37/85/62/814378562.db2.gz QRXSKNHDNDKKSR-UHFFFAOYSA-N 0 0 292.274 1.562 20 5 CDBDRN Cc1cc(C(=O)O[C@H]2CCC(=O)NC2)ccc1[N+](=O)[O-] ZINC000809025619 814380641 /nfs/dbraw/zinc/38/06/41/814380641.db2.gz VEKSFADUTJEIII-JTQLQIEISA-N 0 0 278.264 1.339 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCS(=O)CC2)cc1F ZINC000094774581 814383976 /nfs/dbraw/zinc/38/39/76/814383976.db2.gz UAUSFDPSTRKQRC-UHFFFAOYSA-N 0 0 272.301 1.298 20 5 CDBDRN Cn1ccc(COC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000779135696 814389455 /nfs/dbraw/zinc/38/94/55/814389455.db2.gz DACCZHXZYURCPC-UHFFFAOYSA-N 0 0 261.237 1.685 20 5 CDBDRN O=[N+]([O-])c1ccc(NCC2OCCCO2)c([N+](=O)[O-])c1 ZINC000716343908 814402268 /nfs/dbraw/zinc/40/22/68/814402268.db2.gz MVNGBDDZOPUYTI-UHFFFAOYSA-N 0 0 283.240 1.678 20 5 CDBDRN Cc1c(C(=O)N[C@H]2C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000886902315 814403506 /nfs/dbraw/zinc/40/35/06/814403506.db2.gz CMGNPJGPXYWOIX-MGCOHNPYSA-N 0 0 264.281 1.404 20 5 CDBDRN O=C(CCNC(=O)c1ccsc1)OCCC[N+](=O)[O-] ZINC000860912298 814416444 /nfs/dbraw/zinc/41/64/44/814416444.db2.gz KQBYLRDCTSMXEH-UHFFFAOYSA-N 0 0 286.309 1.078 20 5 CDBDRN Cc1c(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)nnn1C ZINC000783856303 814424285 /nfs/dbraw/zinc/42/42/85/814424285.db2.gz TUXYWURLHFFYDP-UHFFFAOYSA-N 0 0 294.242 1.528 20 5 CDBDRN COC(=O)N(C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853873990 814443550 /nfs/dbraw/zinc/44/35/50/814443550.db2.gz 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C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000133664819 187699842 /nfs/dbraw/zinc/69/98/42/187699842.db2.gz OHAKNWVVLRHRRF-GBUKMUNPSA-N 0 0 278.308 1.741 20 5 CDBDRN CC(C)C[C@@H](C(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000413026445 363187199 /nfs/dbraw/zinc/18/71/99/363187199.db2.gz VDIZPSXHXCYLOQ-NSHDSACASA-N 0 0 279.296 1.681 20 5 CDBDRN CNC(=O)CCCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000271603831 191238155 /nfs/dbraw/zinc/23/81/55/191238155.db2.gz ITCCQNVXBFHECZ-UHFFFAOYSA-N 0 0 285.275 1.681 20 5 CDBDRN C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000271625620 191246562 /nfs/dbraw/zinc/24/65/62/191246562.db2.gz XRWGWDGOCURZCI-BDAKNGLRSA-N 0 0 295.295 1.240 20 5 CDBDRN Cc1nnsc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000292155991 198184341 /nfs/dbraw/zinc/18/43/41/198184341.db2.gz SQGISPSRQXKBQA-UHFFFAOYSA-N 0 0 292.320 1.993 20 5 CDBDRN COC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CC1 ZINC000152212852 188003090 /nfs/dbraw/zinc/00/30/90/188003090.db2.gz 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ZINC000456266541 364068334 /nfs/dbraw/zinc/06/83/34/364068334.db2.gz UYNSZNIMPRFVLM-UHFFFAOYSA-N 0 0 274.298 1.048 20 5 CDBDRN COCCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170602135 364220134 /nfs/dbraw/zinc/22/01/34/364220134.db2.gz HVEPEZITEAAUQD-UHFFFAOYSA-N 0 0 262.269 1.890 20 5 CDBDRN Cc1cn([C@@H](C)C(=O)NCC(F)(F)F)nc1[N+](=O)[O-] ZINC000170619697 364412551 /nfs/dbraw/zinc/41/25/51/364412551.db2.gz QXLRDKNNLSNRFS-LURJTMIESA-N 0 0 280.206 1.339 20 5 CDBDRN Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000302712739 364545176 /nfs/dbraw/zinc/54/51/76/364545176.db2.gz ZULLECNJNXHLLT-ZETCQYMHSA-N 0 0 299.283 1.121 20 5 CDBDRN COC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000103645484 364628593 /nfs/dbraw/zinc/62/85/93/364628593.db2.gz IXSMIHMXCNANQJ-UHFFFAOYSA-N 0 0 262.225 1.271 20 5 CDBDRN C[C@@H]1CCN2[C@H](c3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H]2C1 ZINC000249457836 364716061 /nfs/dbraw/zinc/71/60/61/364716061.db2.gz OCXMTQALBDHTPN-JIMOISOXSA-N 0 0 275.308 1.824 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](C2CC2)C1 ZINC000367061636 364718706 /nfs/dbraw/zinc/71/87/06/364718706.db2.gz XKYFAHSSGXLRRD-JTQLQIEISA-N 0 0 264.285 1.050 20 5 CDBDRN CCC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000270792289 364761317 /nfs/dbraw/zinc/76/13/17/364761317.db2.gz XJQVQINPSAGFIB-UHFFFAOYSA-N 0 0 266.253 1.312 20 5 CDBDRN CC(C)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412192480 240072304 /nfs/dbraw/zinc/07/23/04/240072304.db2.gz CDUOYAVXXYEONM-MJBXVCDLSA-N 0 0 292.335 1.831 20 5 CDBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000412230880 240099157 /nfs/dbraw/zinc/09/91/57/240099157.db2.gz SMFWOFVIHFAAKC-PCDDKUFXSA-N 0 0 290.319 1.538 20 5 CDBDRN Cc1sc(C(=O)N[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000133640872 364988772 /nfs/dbraw/zinc/98/87/72/364988772.db2.gz FWFUKGMKFXBGEO-VXNVDRBHSA-N 0 0 270.310 1.608 20 5 CDBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NOCC1CC1 ZINC000293748877 364988930 /nfs/dbraw/zinc/98/89/30/364988930.db2.gz KBINCUFZURIPCR-UHFFFAOYSA-N 0 0 279.296 1.855 20 5 CDBDRN O=C(N[C@@H](CO)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000412712808 240330891 /nfs/dbraw/zinc/33/08/91/240330891.db2.gz QXFDGBBCSMENHX-AAEUAGOBSA-N 0 0 294.307 1.112 20 5 CDBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCS1 ZINC000180583321 365017491 /nfs/dbraw/zinc/01/74/91/365017491.db2.gz XLUMTXBUSGERQO-UHFFFAOYSA-N 0 0 296.352 1.540 20 5 CDBDRN Cc1ccc(C(=O)N=c2nc[nH]n2C(C)C)cc1[N+](=O)[O-] ZINC000412912756 240435995 /nfs/dbraw/zinc/43/59/95/240435995.db2.gz KJDMZXUHBLAEHC-UHFFFAOYSA-N 0 0 289.295 1.750 20 5 CDBDRN C[C@H](O)[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000384642627 365107821 /nfs/dbraw/zinc/10/78/21/365107821.db2.gz NAOUEDFRFDSDSQ-XKGZQEJFSA-N 0 0 290.319 1.837 20 5 CDBDRN CC1(C)CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@@H]1O ZINC000275450505 193042263 /nfs/dbraw/zinc/04/22/63/193042263.db2.gz LLQKTLBBPSXHSE-QMMMGPOBSA-N 0 0 296.352 1.901 20 5 CDBDRN Cc1cc(NC[C@@]2(C)CCC(=O)N2)ncc1[N+](=O)[O-] ZINC000413346653 240641647 /nfs/dbraw/zinc/64/16/47/240641647.db2.gz WXVSYXRGPOIZEC-GFCCVEGCSA-N 0 0 264.285 1.379 20 5 CDBDRN CC(C)(O)C1CN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275521614 193066491 /nfs/dbraw/zinc/06/64/91/193066491.db2.gz DPHYKJMNLYCCGQ-UHFFFAOYSA-N 0 0 294.307 1.203 20 5 CDBDRN C[C@@H](CCCO)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270443402 366880587 /nfs/dbraw/zinc/88/05/87/366880587.db2.gz ZITGKOICJANHCC-NSHDSACASA-N 0 0 295.339 1.598 20 5 CDBDRN COc1cc(N[C@@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000413552759 240759773 /nfs/dbraw/zinc/75/97/73/240759773.db2.gz VZCJSOYRESHHJT-JQWIXIFHSA-N 0 0 296.323 1.803 20 5 CDBDRN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2COC)C[C@H]1O ZINC000270483373 366888519 /nfs/dbraw/zinc/88/85/19/366888519.db2.gz PWIZISBWVYUHPA-QMTHXVAHSA-N 0 0 280.324 1.948 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N(C)CC2(CO)CC2)c1[N+](=O)[O-] ZINC000275848644 193146330 /nfs/dbraw/zinc/14/63/30/193146330.db2.gz MPWFLFAUIHVWKI-UHFFFAOYSA-N 0 0 296.327 1.286 20 5 CDBDRN CC(C)CC[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548384492 366898591 /nfs/dbraw/zinc/89/85/91/366898591.db2.gz RNDMEKXRRYDVTC-VIFPVBQESA-N 0 0 280.328 1.957 20 5 CDBDRN C[C@@H]1CCC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@H]1C ZINC000548408391 366901917 /nfs/dbraw/zinc/90/19/17/366901917.db2.gz NJAIEXGGTGLDRA-YWVKMMECSA-N 0 0 292.339 1.957 20 5 CDBDRN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000353642984 365497249 /nfs/dbraw/zinc/49/72/49/365497249.db2.gz PFPWYNPGGFWXCN-CYBMUJFWSA-N 0 0 264.281 1.751 20 5 CDBDRN C[C@H]1CC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])=NO1 ZINC000270723961 366925477 /nfs/dbraw/zinc/92/54/77/366925477.db2.gz CLZBZCCHJQHKHD-LURJTMIESA-N 0 0 267.216 1.586 20 5 CDBDRN CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270957389 366948415 /nfs/dbraw/zinc/94/84/15/366948415.db2.gz UNRJPBJVANXONS-GWCFXTLKSA-N 0 0 250.298 1.798 20 5 CDBDRN COCCN1C(=O)C2(CC2)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000414196013 241110924 /nfs/dbraw/zinc/11/09/24/241110924.db2.gz JOAZBUVBKLINQA-LBPRGKRZSA-N 0 0 291.307 1.204 20 5 CDBDRN C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000414071609 241055055 /nfs/dbraw/zinc/05/50/55/241055055.db2.gz NEKCKDHDCMQEHS-UWVGGRQHSA-N 0 0 296.298 1.967 20 5 CDBDRN Cc1cc(CNCc2ccccc2[N+](=O)[O-])nn1C ZINC000414315053 241151511 /nfs/dbraw/zinc/15/15/11/241151511.db2.gz REEDPXUJMUHXCC-UHFFFAOYSA-N 0 0 260.297 1.927 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000090360436 367033638 /nfs/dbraw/zinc/03/36/38/367033638.db2.gz ZKZCYXIDLUYFPK-JTQLQIEISA-N 0 0 295.295 1.707 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOC1 ZINC000179117201 367173835 /nfs/dbraw/zinc/17/38/35/367173835.db2.gz RJEYZVPMXQLPQK-MRVPVSSYSA-N 0 0 281.268 1.514 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000272197965 367311081 /nfs/dbraw/zinc/31/10/81/367311081.db2.gz OXXZIXNQZSXHPY-ONGXEEELSA-N 0 0 291.307 1.897 20 5 CDBDRN Cc1cccc(OCCNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000301063192 367601925 /nfs/dbraw/zinc/60/19/25/367601925.db2.gz COOYSOLNABRVAK-UHFFFAOYSA-N 0 0 289.295 1.766 20 5 CDBDRN COC(=O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000017440607 367744645 /nfs/dbraw/zinc/74/46/45/367744645.db2.gz LTJWLGAASOBFOY-UHFFFAOYSA-N 0 0 294.288 1.712 20 5 CDBDRN CCC[C@@H](CCO)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272709995 367802513 /nfs/dbraw/zinc/80/25/13/367802513.db2.gz XSBVHURIGQWUNO-JTQLQIEISA-N 0 0 295.339 1.706 20 5 CDBDRN C[C@@]1(CO)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000546820638 367968485 /nfs/dbraw/zinc/96/84/85/367968485.db2.gz KNWSEXPTNHJAHF-AWEZNQCLSA-N 0 0 294.307 1.347 20 5 CDBDRN COc1cc(C(=O)NC[C@@H](C)OC)c([N+](=O)[O-])cc1OC ZINC000275954491 193173044 /nfs/dbraw/zinc/17/30/44/193173044.db2.gz GAEOOASGMDISIH-MRVPVSSYSA-N 0 0 298.295 1.377 20 5 CDBDRN COC(=O)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])[C@H]1C ZINC000344996726 291429314 /nfs/dbraw/zinc/42/93/14/291429314.db2.gz SZRBRTOIFUGQBJ-DTWKUNHWSA-N 0 0 265.269 1.378 20 5 CDBDRN CCC1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CCOCC1 ZINC000330630837 203059716 /nfs/dbraw/zinc/05/97/16/203059716.db2.gz DQGRDVHPHVTXJQ-UHFFFAOYSA-N 0 0 295.339 1.870 20 5 CDBDRN O=C([C@H]1CCCOC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170789228 369124061 /nfs/dbraw/zinc/12/40/61/369124061.db2.gz ZIETYLYGBXRNOH-NSHDSACASA-N 0 0 276.292 1.911 20 5 CDBDRN CCN(C[C@@H]1CCCO1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000330659176 203088568 /nfs/dbraw/zinc/08/85/68/203088568.db2.gz AMYUHCUFWMPNKV-JTQLQIEISA-N 0 0 296.327 1.278 20 5 CDBDRN CCOC(=O)c1ccnc(NC[C@H](O)CC)c1[N+](=O)[O-] ZINC000420623159 244290222 /nfs/dbraw/zinc/29/02/22/244290222.db2.gz HNGGIYQQZOJWNE-MRVPVSSYSA-N 0 0 283.284 1.349 20 5 CDBDRN C[C@H](CCCO)CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420624718 244291248 /nfs/dbraw/zinc/29/12/48/244291248.db2.gz HLODOSAOPATZGD-SECBINFHSA-N 0 0 281.312 1.514 20 5 CDBDRN CON1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000420633492 244299682 /nfs/dbraw/zinc/29/96/82/244299682.db2.gz JHCNHXAJKDEECC-UHFFFAOYSA-N 0 0 258.303 1.489 20 5 CDBDRN C[C@H]1C[C@H](C(=O)N(C)c2ccc([N+](=O)[O-])nc2)CCO1 ZINC000330858500 203321281 /nfs/dbraw/zinc/32/12/81/203321281.db2.gz UYWGMXMTYKHSAE-VHSXEESVSA-N 0 0 279.296 1.768 20 5 CDBDRN COC(=O)CCSc1ncc(C)cc1[N+](=O)[O-] ZINC000266195778 370983872 /nfs/dbraw/zinc/98/38/72/370983872.db2.gz HPROJQSXIMKPFJ-UHFFFAOYSA-N 0 0 256.283 1.953 20 5 CDBDRN CON1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421038767 244595666 /nfs/dbraw/zinc/59/56/66/244595666.db2.gz RXXWFABAKPMWKK-UHFFFAOYSA-N 0 0 294.311 1.742 20 5 CDBDRN Cc1cccc(C[C@H](CO)Nc2c([N+](=O)[O-])ncn2C)c1 ZINC000276367543 193302747 /nfs/dbraw/zinc/30/27/47/193302747.db2.gz WTAXQPMHLFSTSF-GFCCVEGCSA-N 0 0 290.323 1.652 20 5 CDBDRN CCN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1=O ZINC000276370007 193303418 /nfs/dbraw/zinc/30/34/18/193303418.db2.gz WZPDIGCFPULOSE-UHFFFAOYSA-N 0 0 278.312 1.357 20 5 CDBDRN Cc1cc(C(=O)N[C@H](C)c2ncnn2C)cc([N+](=O)[O-])c1 ZINC000276476664 193347654 /nfs/dbraw/zinc/34/76/54/193347654.db2.gz OEAIXKMZQMXNEG-SECBINFHSA-N 0 0 289.295 1.523 20 5 CDBDRN CCNC(=O)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299271389 369745748 /nfs/dbraw/zinc/74/57/48/369745748.db2.gz UBMREQHWXRKDNU-QMMMGPOBSA-N 0 0 280.284 1.241 20 5 CDBDRN COC(=O)c1cnc(NCC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000276527895 193368356 /nfs/dbraw/zinc/36/83/56/193368356.db2.gz HCKIHDFOXSMSAC-UHFFFAOYSA-N 0 0 295.295 1.493 20 5 CDBDRN CC(C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1COC1 ZINC000295267209 369815242 /nfs/dbraw/zinc/81/52/42/369815242.db2.gz CCSHCAYSFWJKAP-UHFFFAOYSA-N 0 0 293.323 1.303 20 5 CDBDRN COC(=O)c1cnc(NC[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000276593982 193393712 /nfs/dbraw/zinc/39/37/12/193393712.db2.gz CCLFTFOSUCUABE-QMMMGPOBSA-N 0 0 283.284 1.207 20 5 CDBDRN COC(=O)CN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000276599834 193395986 /nfs/dbraw/zinc/39/59/86/193395986.db2.gz RFAYCRUOTLHRKX-UHFFFAOYSA-N 0 0 296.279 1.157 20 5 CDBDRN CO[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000331110852 203549343 /nfs/dbraw/zinc/54/93/43/203549343.db2.gz IGVLPGANULPMHH-RYUDHWBXSA-N 0 0 280.280 1.081 20 5 CDBDRN C[C@]1(F)CNCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295309640 369920722 /nfs/dbraw/zinc/92/07/22/369920722.db2.gz VXZLGQXCWSRANR-AWEZNQCLSA-N 0 0 295.314 1.297 20 5 CDBDRN C[C@@H](CS(C)(=O)=O)N(C)c1ccccc1[N+](=O)[O-] ZINC000301241312 369921082 /nfs/dbraw/zinc/92/10/82/369921082.db2.gz GGZAOGACTLNFLS-VIFPVBQESA-N 0 0 272.326 1.464 20 5 CDBDRN Cc1c(CNC(=O)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000331115462 203552895 /nfs/dbraw/zinc/55/28/95/203552895.db2.gz KLUCQZNLTBZBGF-NSHDSACASA-N 0 0 264.281 1.556 20 5 CDBDRN O=C(Nc1ccc2nncn2c1)c1cccc([N+](=O)[O-])c1 ZINC000075301185 370054590 /nfs/dbraw/zinc/05/45/90/370054590.db2.gz OPIUGJIOSWRZOS-UHFFFAOYSA-N 0 0 283.247 1.890 20 5 CDBDRN CC(=O)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000421883605 244875582 /nfs/dbraw/zinc/87/55/82/244875582.db2.gz FAAXUTSGUNBKFL-UHFFFAOYSA-N 0 0 281.312 1.621 20 5 CDBDRN CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000276972072 193518426 /nfs/dbraw/zinc/51/84/26/193518426.db2.gz VLZXGJZHGKSHDX-SNVBAGLBSA-N 0 0 280.280 1.410 20 5 CDBDRN C[C@H](NC(=O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000295407034 370194007 /nfs/dbraw/zinc/19/40/07/370194007.db2.gz SBNGQGRPDQFYEY-JTQLQIEISA-N 0 0 291.307 1.394 20 5 CDBDRN CS[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000295610983 370522892 /nfs/dbraw/zinc/52/28/92/370522892.db2.gz ULPJNVHKUQKBSU-QMMMGPOBSA-N 0 0 283.309 1.273 20 5 CDBDRN CC(F)(F)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000295633310 370527526 /nfs/dbraw/zinc/52/75/26/370527526.db2.gz SMDUDVDJFDVRKB-UHFFFAOYSA-N 0 0 275.211 1.471 20 5 CDBDRN Cc1nc(NC(=O)c2c(C)cccc2[N+](=O)[O-])nn1C ZINC000293779880 370529274 /nfs/dbraw/zinc/52/92/74/370529274.db2.gz VYTNCOLRSHXOBM-UHFFFAOYSA-N 0 0 275.268 1.592 20 5 CDBDRN C[C@@H](CC(C)(C)O)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000331358517 203759870 /nfs/dbraw/zinc/75/98/70/203759870.db2.gz VHMXYVWVTBBJCI-VIFPVBQESA-N 0 0 298.343 1.192 20 5 CDBDRN CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCC(CO)CC1 ZINC000269550121 370580103 /nfs/dbraw/zinc/58/01/03/370580103.db2.gz XSHNICPWMVFDHW-UHFFFAOYSA-N 0 0 282.296 1.811 20 5 CDBDRN C[C@@H]1C[C@@H]1c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000547189864 370628670 /nfs/dbraw/zinc/62/86/70/370628670.db2.gz HVPMAYLYUTYNSV-APPZFPTMSA-N 0 0 263.257 1.540 20 5 CDBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1C[C@@H]1C ZINC000331681835 204070569 /nfs/dbraw/zinc/07/05/69/204070569.db2.gz QAVAOPPAJBSMHV-UJNFCWOMSA-N 0 0 295.343 1.352 20 5 CDBDRN CCCN(CC1CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000331857738 204236916 /nfs/dbraw/zinc/23/69/16/204236916.db2.gz IGYQIVJFIIODDC-UHFFFAOYSA-N 0 0 266.301 1.591 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(c2ncc[nH]2)CC1 ZINC000331937483 204313491 /nfs/dbraw/zinc/31/34/91/204313491.db2.gz OWTPFHPFVDZTCI-UHFFFAOYSA-N 0 0 289.295 1.666 20 5 CDBDRN Cc1cc(F)c(NC(=O)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000296008911 371559833 /nfs/dbraw/zinc/55/98/33/371559833.db2.gz MMHWUWGTJYCTGB-UHFFFAOYSA-N 0 0 281.243 1.259 20 5 CDBDRN Cc1c(CN2CCOC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000168798705 371639231 /nfs/dbraw/zinc/63/92/31/371639231.db2.gz OAFRGCKNJWETDX-GFCCVEGCSA-N 0 0 266.297 1.096 20 5 CDBDRN CC1(C)CCC[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151245838 372141078 /nfs/dbraw/zinc/14/10/78/372141078.db2.gz ZKSZEDKJBORVSP-NSHDSACASA-N 0 0 295.343 1.669 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCO2 ZINC000368691255 284316303 /nfs/dbraw/zinc/31/63/03/284316303.db2.gz BJHFMHHHRXBMQZ-UHFFFAOYSA-N 0 0 274.236 1.436 20 5 CDBDRN Cc1cc(C(=O)NC[C@H](O)C2CC2)cc([N+](=O)[O-])c1 ZINC000135030509 139882906 /nfs/dbraw/zinc/88/29/06/139882906.db2.gz RGVPNBXHHASRTI-LBPRGKRZSA-N 0 0 264.281 1.404 20 5 CDBDRN COc1ccc(NC(=O)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000272912965 372352846 /nfs/dbraw/zinc/35/28/46/372352846.db2.gz LTBQQVRGIRLQGI-UHFFFAOYSA-N 0 0 293.279 1.164 20 5 CDBDRN Cc1cccc(N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000578285268 372373425 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CCC[C@@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000183903571 520817667 /nfs/dbraw/zinc/81/76/67/520817667.db2.gz PQXJEIRFFMUKEF-LLVKDONJSA-N 0 0 280.328 1.973 20 5 CDBDRN CCOC(=O)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000160739111 520834913 /nfs/dbraw/zinc/83/49/13/520834913.db2.gz NYSORVTUNMKVCZ-SNVBAGLBSA-N 0 0 294.307 1.975 20 5 CDBDRN CCOC(=O)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000160808315 520874554 /nfs/dbraw/zinc/87/45/54/520874554.db2.gz OYZYQEHDZVHLFD-JTQLQIEISA-N 0 0 294.307 1.595 20 5 CDBDRN CCOC(=O)[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000049373330 521208436 /nfs/dbraw/zinc/20/84/36/521208436.db2.gz OAXCTGQHMMFUIZ-JTQLQIEISA-N 0 0 266.297 1.944 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCO)c1 ZINC000338551631 521282274 /nfs/dbraw/zinc/28/22/74/521282274.db2.gz JSMWUKRGMFXYDF-SECBINFHSA-N 0 0 282.296 1.494 20 5 CDBDRN CCOC(=O)[C@](C)(O)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000357447831 521337350 /nfs/dbraw/zinc/33/73/50/521337350.db2.gz 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ZINC000036839471 828408074 /nfs/dbraw/zinc/40/80/74/828408074.db2.gz ASMTVEFLOAKEKR-NSHDSACASA-N 0 0 252.270 1.938 20 5 CDBDRN Cc1ccccc1[C@@H](O)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000788298539 828432134 /nfs/dbraw/zinc/43/21/34/828432134.db2.gz LMFWDUYYMJWXPJ-NSHDSACASA-N 0 0 290.279 1.090 20 5 CDBDRN C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CO1 ZINC000843728136 822650832 /nfs/dbraw/zinc/65/08/32/822650832.db2.gz DHPQLDCEJXEWTC-DTWKUNHWSA-N 0 0 298.270 1.406 20 5 CDBDRN C[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000235741951 828463901 /nfs/dbraw/zinc/46/39/01/828463901.db2.gz BYLDMZVQPZTWJR-LBPRGKRZSA-N 0 0 268.244 1.331 20 5 CDBDRN CSC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185014208 822656178 /nfs/dbraw/zinc/65/61/78/822656178.db2.gz JADMZTCSRXGOCZ-UHFFFAOYSA-N 0 0 284.341 1.443 20 5 CDBDRN CN1CC[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1=O ZINC000847791038 822699358 /nfs/dbraw/zinc/69/93/58/822699358.db2.gz LERKGEKTSVDMAK-MRVPVSSYSA-N 0 0 296.254 1.369 20 5 CDBDRN CC(C)C(=O)N(C)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000882145319 822705383 /nfs/dbraw/zinc/70/53/83/822705383.db2.gz NFOUOYUQNKOVAV-UHFFFAOYSA-N 0 0 287.703 1.482 20 5 CDBDRN CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(F)F ZINC000833200940 828476261 /nfs/dbraw/zinc/47/62/61/828476261.db2.gz JPYZJLCCVWTERM-ZETCQYMHSA-N 0 0 252.261 1.982 20 5 CDBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H](O)C1CCCCC1 ZINC000782370185 822719802 /nfs/dbraw/zinc/71/98/02/822719802.db2.gz WWJYOXJBIDHCLM-GFCCVEGCSA-N 0 0 297.311 1.276 20 5 CDBDRN O=c1cncc(Cl)n1-c1ccc([N+](=O)[O-])cc1 ZINC000820593492 822739230 /nfs/dbraw/zinc/73/92/30/822739230.db2.gz AESUPTDXLMIUCO-UHFFFAOYSA-N 0 0 251.629 1.794 20 5 CDBDRN O=C(N[C@H](c1cccs1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840253920 822757038 /nfs/dbraw/zinc/75/70/38/822757038.db2.gz WWLKBMUMHQHFRI-KKZNHRDASA-N 0 0 266.322 1.981 20 5 CDBDRN COCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000171577567 822769082 /nfs/dbraw/zinc/76/90/82/822769082.db2.gz XRIBVYUSVUJDBV-VIFPVBQESA-N 0 0 299.302 1.056 20 5 CDBDRN CNC(=O)CCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170781952 822769479 /nfs/dbraw/zinc/76/94/79/822769479.db2.gz FVPAJICOHHDQNH-UHFFFAOYSA-N 0 0 269.276 1.302 20 5 CDBDRN NC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774229 828484867 /nfs/dbraw/zinc/48/48/67/828484867.db2.gz DLUQDPRPLGRSFU-LLVKDONJSA-N 0 0 267.260 1.184 20 5 CDBDRN CC[C@H](Cn1nc([N+](=O)[O-])nc1Br)OC ZINC000865389769 828495887 /nfs/dbraw/zinc/49/58/87/828495887.db2.gz WRCGFLVNASMUQP-RXMQYKEDSA-N 0 0 279.094 1.374 20 5 CDBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CCO)C1CC1 ZINC000845828513 828521924 /nfs/dbraw/zinc/52/19/24/828521924.db2.gz PRFGBNALYFCSGH-GFCCVEGCSA-N 0 0 296.298 1.554 20 5 CDBDRN CC(C)(CCC(=O)NCCSCCCO)[N+](=O)[O-] ZINC000826924481 828552372 /nfs/dbraw/zinc/55/23/72/828552372.db2.gz WWPIBBUCLWCOQE-UHFFFAOYSA-N 0 0 278.374 1.054 20 5 CDBDRN CCn1nnc(C)c1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000835693727 828559204 /nfs/dbraw/zinc/55/92/04/828559204.db2.gz KDARSQFXPADHON-UHFFFAOYSA-N 0 0 296.308 1.933 20 5 CDBDRN CN[C@@H](C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000848627693 823739771 /nfs/dbraw/zinc/73/97/71/823739771.db2.gz JPEOGFZYPDRFFK-QMMMGPOBSA-N 0 0 292.295 1.858 20 5 CDBDRN CN(C)c1cc(F)c(C(=O)N(C)CCCO)cc1[N+](=O)[O-] ZINC000831787107 823763409 /nfs/dbraw/zinc/76/34/09/823763409.db2.gz NXCJTIPJWDGJGA-UHFFFAOYSA-N 0 0 299.302 1.254 20 5 CDBDRN CN(C)c1ncc(C(=O)OCCC[N+](=O)[O-])cc1Cl ZINC000860921958 823772142 /nfs/dbraw/zinc/77/21/42/823772142.db2.gz BIWMUFHAHGEQAD-UHFFFAOYSA-N 0 0 287.703 1.625 20 5 CDBDRN CC[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1O ZINC000865647725 823804048 /nfs/dbraw/zinc/80/40/48/823804048.db2.gz INRMUOFSVSUFLC-ISVAXAHUSA-N 0 0 284.287 1.433 20 5 CDBDRN CN(CCC(=O)OCCC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000860918853 823805981 /nfs/dbraw/zinc/80/59/81/823805981.db2.gz QDDLYAYWOZYDRZ-UHFFFAOYSA-N 0 0 290.316 1.453 20 5 CDBDRN CC(C)C1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827641229 823811548 /nfs/dbraw/zinc/81/15/48/823811548.db2.gz LBSXSZDEICZWLJ-CYBMUJFWSA-N 0 0 278.308 1.743 20 5 CDBDRN O=[N+]([O-])CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000930602304 823816127 /nfs/dbraw/zinc/81/61/27/823816127.db2.gz PPBPILGOIYPLGK-UHFFFAOYSA-N 0 0 285.294 1.754 20 5 CDBDRN CNC(=O)[C@H](O)CNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000808048030 823831351 /nfs/dbraw/zinc/83/13/51/823831351.db2.gz FYMVPXLDKNMCNI-SECBINFHSA-N 0 0 287.703 1.075 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCNC(C)(C)C(=O)OC(C)C ZINC000934820518 823837602 /nfs/dbraw/zinc/83/76/02/823837602.db2.gz INELENDUSUVEQK-UHFFFAOYSA-N 0 0 298.343 1.420 20 5 CDBDRN CCCn1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)nn1 ZINC000854497823 823844606 /nfs/dbraw/zinc/84/46/06/823844606.db2.gz ZPXWCYXIZCDAKH-UHFFFAOYSA-N 0 0 290.283 1.431 20 5 CDBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1cccc[n+]1[O-] ZINC000804325021 823858988 /nfs/dbraw/zinc/85/89/88/823858988.db2.gz NGODFSQZFGBDSB-UHFFFAOYSA-N 0 0 277.192 1.929 20 5 CDBDRN CO[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000855198243 823866267 /nfs/dbraw/zinc/86/62/67/823866267.db2.gz WLJFTPLQHNACKI-NSHDSACASA-N 0 0 272.345 1.849 20 5 CDBDRN COC(=O)[C@](C)(CCF)NCc1cccnc1[N+](=O)[O-] ZINC000886280441 823872863 /nfs/dbraw/zinc/87/28/63/823872863.db2.gz DYPQBVCGDMAEST-LBPRGKRZSA-N 0 0 285.275 1.371 20 5 CDBDRN CCc1ocnc1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853900273 823898809 /nfs/dbraw/zinc/89/88/09/823898809.db2.gz WCKQMBBRLZLZMQ-UHFFFAOYSA-N 0 0 281.224 1.799 20 5 CDBDRN Cc1cc(C(=O)OC[C@@H]2CCOC2)c(N)c([N+](=O)[O-])c1 ZINC000112467074 823905528 /nfs/dbraw/zinc/90/55/28/823905528.db2.gz HALIYTQFDSPOKC-SECBINFHSA-N 0 0 280.280 1.679 20 5 CDBDRN Cc1c(C(=O)OC[C@]2(C)CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000789787855 823920110 /nfs/dbraw/zinc/92/01/10/823920110.db2.gz MJSVPFFXGJNIQD-AWEZNQCLSA-N 0 0 292.291 1.586 20 5 CDBDRN COC[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000884789635 823922732 /nfs/dbraw/zinc/92/27/32/823922732.db2.gz BDNYSUQUDICRQW-CMPLNLGQSA-N 0 0 281.312 1.843 20 5 CDBDRN C[C@@H](O)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865736609 823923119 /nfs/dbraw/zinc/92/31/19/823923119.db2.gz LFCOWIWBUWFURV-MRVPVSSYSA-N 0 0 272.276 1.799 20 5 CDBDRN CCN(CC(=O)NC)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000827714005 823926023 /nfs/dbraw/zinc/92/60/23/823926023.db2.gz RBCIISBTLSLMAM-UHFFFAOYSA-N 0 0 288.307 1.715 20 5 CDBDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCCn1cnc([N+](=O)[O-])n1 ZINC000835207088 823943311 /nfs/dbraw/zinc/94/33/11/823943311.db2.gz HJDUNDLZMQXKLT-UTLUCORTSA-N 0 0 280.284 1.166 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cn[nH]c1 ZINC000803389595 823955617 /nfs/dbraw/zinc/95/56/17/823955617.db2.gz IDJMRMRWPKOHHZ-UHFFFAOYSA-N 0 0 280.215 1.396 20 5 CDBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NC(CF)CF)c1 ZINC000885416719 823966289 /nfs/dbraw/zinc/96/62/89/823966289.db2.gz LDEVCLOTGNLZSU-UHFFFAOYSA-N 0 0 280.252 1.181 20 5 CDBDRN Cc1cc(F)cc(C(=O)N[C@@H]2COC(=O)C2)c1[N+](=O)[O-] ZINC000854558322 823968682 /nfs/dbraw/zinc/96/86/82/823968682.db2.gz XZGRUTCMPKJEQE-QMMMGPOBSA-N 0 0 282.227 1.088 20 5 CDBDRN CC(=O)N[C@H](C)COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000835715084 823978677 /nfs/dbraw/zinc/97/86/77/823978677.db2.gz YXRVIGVBXYYKDK-SECBINFHSA-N 0 0 296.279 1.041 20 5 CDBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(F)CCOCC1 ZINC000864978906 823996947 /nfs/dbraw/zinc/99/69/47/823996947.db2.gz BMERKZOTEODERB-UHFFFAOYSA-N 0 0 296.298 1.772 20 5 CDBDRN O=C(Nc1ccc(C(=O)OCCC[N+](=O)[O-])cc1)C1CC1 ZINC000860912301 824025123 /nfs/dbraw/zinc/02/51/23/824025123.db2.gz KUONPYNIHOTMDZ-UHFFFAOYSA-N 0 0 292.291 1.859 20 5 CDBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CSC[C@@H]3C2)cn1 ZINC000884645168 824068528 /nfs/dbraw/zinc/06/85/28/824068528.db2.gz TUDPGYCDWOQUCT-DTORHVGOSA-N 0 0 251.311 1.789 20 5 CDBDRN C[C@@H]1COCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882131256 824071186 /nfs/dbraw/zinc/07/11/86/824071186.db2.gz DJGYQDQLGIKXAB-QMMMGPOBSA-N 0 0 255.249 1.602 20 5 CDBDRN Cc1c(CC(=O)OCc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000803402961 824091617 /nfs/dbraw/zinc/09/16/17/824091617.db2.gz UBRXYLJCOZZQKJ-UHFFFAOYSA-N 0 0 275.264 1.912 20 5 CDBDRN O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841207774 824101987 /nfs/dbraw/zinc/10/19/87/824101987.db2.gz JKHNGMMNPGGTPU-BGZDPUMWSA-N 0 0 297.229 1.552 20 5 CDBDRN C[C@H](CC(=O)OCC(C)(C)[N+](=O)[O-])n1cccn1 ZINC000851130029 824117943 /nfs/dbraw/zinc/11/79/43/824117943.db2.gz UISKXBPYCZYTOI-SECBINFHSA-N 0 0 255.274 1.433 20 5 CDBDRN C[C@H]1OCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000793427671 824132293 /nfs/dbraw/zinc/13/22/93/824132293.db2.gz RFHSHMHAEOLOJM-HTQZYQBOSA-N 0 0 255.226 1.770 20 5 CDBDRN CCC[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801947418 824142551 /nfs/dbraw/zinc/14/25/51/824142551.db2.gz UGSNNBBYLQICMO-ZDUSSCGKSA-N 0 0 299.302 1.597 20 5 CDBDRN O=C(NCC1(c2ccc(F)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715820 828623752 /nfs/dbraw/zinc/62/37/52/828623752.db2.gz IDRNUZDKGNUGBK-BXKDBHETSA-N 0 0 296.273 1.778 20 5 CDBDRN CON1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000854859467 828619516 /nfs/dbraw/zinc/61/95/16/828619516.db2.gz FCCYMOVDZUHBEG-UHFFFAOYSA-N 0 0 283.259 1.053 20 5 CDBDRN O=c1c(F)cc([N+](=O)[O-])cn1CCCCCCO ZINC000842638226 824201092 /nfs/dbraw/zinc/20/10/92/824201092.db2.gz XVSFUPAADCUCCJ-UHFFFAOYSA-N 0 0 258.249 1.448 20 5 CDBDRN C[S@@](=O)C1(CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000799329718 824205313 /nfs/dbraw/zinc/20/53/13/824205313.db2.gz KYPLGPZKDUNLHU-HXUWFJFHSA-N 0 0 294.336 1.566 20 5 CDBDRN O=C(CCc1ccccn1)OCCn1cc([N+](=O)[O-])cn1 ZINC000177776256 824206428 /nfs/dbraw/zinc/20/64/28/824206428.db2.gz RDABADLBTANVOT-UHFFFAOYSA-N 0 0 290.279 1.362 20 5 CDBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000840409292 824206604 /nfs/dbraw/zinc/20/66/04/824206604.db2.gz IDWZETGCUOMNLG-BXKDBHETSA-N 0 0 291.263 1.458 20 5 CDBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1O ZINC000400001445 824217044 /nfs/dbraw/zinc/21/70/44/824217044.db2.gz YLXSLIQFLFSIRC-UFBFGSQYSA-N 0 0 279.296 1.020 20 5 CDBDRN COCCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000073651556 824221419 /nfs/dbraw/zinc/22/14/19/824221419.db2.gz ZQJSZKPXEUHLRZ-UHFFFAOYSA-N 0 0 255.226 1.163 20 5 CDBDRN COC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935195295 824226710 /nfs/dbraw/zinc/22/67/10/824226710.db2.gz GKGDSCYERZEMKL-JIMOISOXSA-N 0 0 278.308 1.849 20 5 CDBDRN CN1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000928569701 824232442 /nfs/dbraw/zinc/23/24/42/824232442.db2.gz OGADBSYIXSRINC-LLVKDONJSA-N 0 0 289.291 1.775 20 5 CDBDRN CC(=O)N[C@@H](C)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000809490529 824239668 /nfs/dbraw/zinc/23/96/68/824239668.db2.gz WHXASDRSYYSIQB-QMMMGPOBSA-N 0 0 266.253 1.163 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000845762825 824240467 /nfs/dbraw/zinc/24/04/67/824240467.db2.gz BLOCPIUAPIWELX-MXWKQRLJSA-N 0 0 279.296 1.771 20 5 CDBDRN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000778010925 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O=C(N[C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000601344956 342555920 /nfs/dbraw/zinc/55/59/20/342555920.db2.gz JDTPGJYLNIFBGN-ONGXEEELSA-N 0 0 282.271 1.767 20 5 CDBDRN C[C@H]1CC[C@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)O1 ZINC000599177330 343981970 /nfs/dbraw/zinc/98/19/70/343981970.db2.gz ONMSUBNZLLZSSS-POYBYMJQSA-N 0 0 279.256 1.618 20 5 CDBDRN CCN(CCCO)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601374395 342558004 /nfs/dbraw/zinc/55/80/04/342558004.db2.gz SDEWHHXJWRHELG-UHFFFAOYSA-N 0 0 270.260 1.578 20 5 CDBDRN O=C(NC[C@@H]1CCOC1)Nc1ccncc1[N+](=O)[O-] ZINC000124674742 187147974 /nfs/dbraw/zinc/14/79/74/187147974.db2.gz TVMNYQLVSGVHCY-QMMMGPOBSA-N 0 0 266.257 1.148 20 5 CDBDRN CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000157679828 342007437 /nfs/dbraw/zinc/00/74/37/342007437.db2.gz YBGBCPRHDPCVED-JTQLQIEISA-N 0 0 292.339 1.343 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCS1(=O)=O ZINC000565156924 365598712 /nfs/dbraw/zinc/59/87/12/365598712.db2.gz KIAVVGBXLDGSBM-JTQLQIEISA-N 0 0 284.293 1.111 20 5 CDBDRN COC[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1C ZINC000069800036 342023393 /nfs/dbraw/zinc/02/33/93/342023393.db2.gz XKTYFEVWRCEXNR-LLVKDONJSA-N 0 0 255.274 1.108 20 5 CDBDRN Cc1cnc(C)c(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000273836150 192326891 /nfs/dbraw/zinc/32/68/91/192326891.db2.gz GTDHWMKDEJJMFD-UHFFFAOYSA-N 0 0 262.273 1.310 20 5 CDBDRN CC(C)OCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342833352 361750558 /nfs/dbraw/zinc/75/05/58/361750558.db2.gz ZCXXFGKUUXJZGO-UHFFFAOYSA-N 0 0 267.285 1.531 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC2(O)CCC2)n1 ZINC000342835262 361751195 /nfs/dbraw/zinc/75/11/95/361751195.db2.gz NVWIAPCLPITAOO-UHFFFAOYSA-N 0 0 295.295 1.128 20 5 CDBDRN C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000235316234 342049204 /nfs/dbraw/zinc/04/92/04/342049204.db2.gz XDNGBPNMKIZPQS-CBAPKCEASA-N 0 0 265.269 1.237 20 5 CDBDRN C[C@H](C(=O)NCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000235409459 342050116 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CCc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]1 ZINC000182265577 270249158 /nfs/dbraw/zinc/24/91/58/270249158.db2.gz VYGIYMRWPRUENK-UHFFFAOYSA-N 0 0 281.297 1.898 20 5 CDBDRN C[C@H]1C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305710 342082840 /nfs/dbraw/zinc/08/28/40/342082840.db2.gz ROQDTEAKPWAFSD-SMDDNHRTSA-N 0 0 289.335 1.899 20 5 CDBDRN C[C@@H]1[C@H](O)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000590881538 342603174 /nfs/dbraw/zinc/60/31/74/342603174.db2.gz ILJIFEWCSXQPKY-PRHODGIISA-N 0 0 289.291 1.671 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000533474865 282123826 /nfs/dbraw/zinc/12/38/26/282123826.db2.gz OVOVZVMKLCCJET-RKDXNWHRSA-N 0 0 267.285 1.156 20 5 CDBDRN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000042564824 342106779 /nfs/dbraw/zinc/10/67/79/342106779.db2.gz UWMBIHIRRAOKRV-YUMQZZPRSA-N 0 0 270.310 1.906 20 5 CDBDRN O=C1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]2CCCCN12 ZINC000591158595 342620092 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295.299 1.336 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC1 ZINC000067015219 342174690 /nfs/dbraw/zinc/17/46/90/342174690.db2.gz NGQWNOIRGRMPFO-UHFFFAOYSA-N 0 0 254.217 1.345 20 5 CDBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)CO1 ZINC000593283048 342783857 /nfs/dbraw/zinc/78/38/57/342783857.db2.gz DMLKSRQNZLSQHI-KOLCDFICSA-N 0 0 281.312 1.573 20 5 CDBDRN O=[N+]([O-])c1ccc2ncnc(N[C@H](CO)CCF)c2c1 ZINC000593507594 342804507 /nfs/dbraw/zinc/80/45/07/342804507.db2.gz AAOPVBJJYJVBSR-QMMMGPOBSA-N 0 0 280.259 1.670 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@]1(O)CCCOC1 ZINC000593519419 342806090 /nfs/dbraw/zinc/80/60/90/342806090.db2.gz QMGOKRWNWNZSPP-ZDUSSCGKSA-N 0 0 298.343 1.463 20 5 CDBDRN CCN1C[C@@H](CNc2c([N+](=O)[O-])nc(C)n2CC)CC1=O ZINC000593498131 342808041 /nfs/dbraw/zinc/80/80/41/342808041.db2.gz IOMSSARRNDJGQU-SNVBAGLBSA-N 0 0 295.343 1.400 20 5 CDBDRN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000593728028 342829747 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O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCCCN1 ZINC000588844993 342222803 /nfs/dbraw/zinc/22/28/03/342222803.db2.gz CTDGUYKQSZZBGE-UHFFFAOYSA-N 0 0 274.280 1.817 20 5 CDBDRN CC[C@@H](CSC)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000594336584 342890530 /nfs/dbraw/zinc/89/05/30/342890530.db2.gz PHIVUYMYXJPRLN-QMMMGPOBSA-N 0 0 298.368 1.325 20 5 CDBDRN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)nc1 ZINC000534073796 282163769 /nfs/dbraw/zinc/16/37/69/282163769.db2.gz SWJISKNYNIXVQY-UHFFFAOYSA-N 0 0 288.263 1.783 20 5 CDBDRN CNc1nccc(C(=O)N[C@@H]2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000594371502 342892183 /nfs/dbraw/zinc/89/21/83/342892183.db2.gz JFOZFYVKNVQSFB-RKDXNWHRSA-N 0 0 296.302 1.464 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600612258 342238346 /nfs/dbraw/zinc/23/83/46/342238346.db2.gz UUSIFFJFYDANEA-DTORHVGOSA-N 0 0 296.327 1.284 20 5 CDBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000600658024 342239440 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/nfs/dbraw/zinc/52/29/58/374522958.db2.gz POWVMWXVZSJFNZ-UHFFFAOYSA-N 0 0 296.348 1.982 20 5 CDBDRN O=[N+]([O-])c1cccc(CN2CCCS(=O)(=O)CC2)c1 ZINC000375905875 374523271 /nfs/dbraw/zinc/52/32/71/374523271.db2.gz UAWGLDYHRZWWDU-UHFFFAOYSA-N 0 0 284.337 1.215 20 5 CDBDRN CCc1nn(C)c(N2C[C@@H](C)O[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000376014164 374532593 /nfs/dbraw/zinc/53/25/93/374532593.db2.gz LOBSWMYIYOCQOX-SKDRFNHKSA-N 0 0 294.355 1.894 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)C ZINC000160776400 374538545 /nfs/dbraw/zinc/53/85/45/374538545.db2.gz GEXLNZGZUMYWDA-UHFFFAOYSA-N 0 0 280.280 1.701 20 5 CDBDRN Cc1ccc(NC(=O)NC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000429217272 374575457 /nfs/dbraw/zinc/57/54/57/374575457.db2.gz RSIPMCGUOHJBMV-SECBINFHSA-N 0 0 289.238 1.651 20 5 CDBDRN Cn1ccnc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000082261958 374601626 /nfs/dbraw/zinc/60/16/26/374601626.db2.gz QIOJXEWSLVJJQL-UHFFFAOYSA-N 0 0 260.253 1.258 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000377485264 374604538 /nfs/dbraw/zinc/60/45/38/374604538.db2.gz ALIGTBACNBJQLR-CYBMUJFWSA-N 0 0 293.279 1.854 20 5 CDBDRN Cc1c(CS(=O)(=O)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000424204006 246385063 /nfs/dbraw/zinc/38/50/63/246385063.db2.gz JYKPOYLYRHKZTR-GFCCVEGCSA-N 0 0 299.348 1.997 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000378239315 374634830 /nfs/dbraw/zinc/63/48/30/374634830.db2.gz QCNGHPSBZNJHKL-CHWSQXEVSA-N 0 0 282.340 1.317 20 5 CDBDRN C[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351950805 374699707 /nfs/dbraw/zinc/69/97/07/374699707.db2.gz XQWIHGAUWUKIHB-LLVKDONJSA-N 0 0 268.248 1.146 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000118292448 374648719 /nfs/dbraw/zinc/64/87/19/374648719.db2.gz YFTWKBQCSMBJNN-BDAKNGLRSA-N 0 0 298.368 1.452 20 5 CDBDRN CCCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000161683183 374653487 /nfs/dbraw/zinc/65/34/87/374653487.db2.gz 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375735544 /nfs/dbraw/zinc/73/55/44/375735544.db2.gz NONJIUDSVUIOHM-UHFFFAOYSA-N 0 0 268.147 1.454 20 5 CDBDRN Cn1cc(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000133257508 375736454 /nfs/dbraw/zinc/73/64/54/375736454.db2.gz WSBUOSYRAFHSNR-UHFFFAOYSA-N 0 0 292.270 1.440 20 5 CDBDRN CCOC(=O)[C@@](C)(O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000354813406 375753553 /nfs/dbraw/zinc/75/35/53/375753553.db2.gz CJDLYTUJCGRNHE-AWEZNQCLSA-N 0 0 296.323 1.341 20 5 CDBDRN COC[C@@H](O)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000231568133 375783389 /nfs/dbraw/zinc/78/33/89/375783389.db2.gz AKFLZYZIGHCDIM-JTQLQIEISA-N 0 0 291.307 1.952 20 5 CDBDRN COc1c(C(=O)NCc2cncn2C)cccc1[N+](=O)[O-] ZINC000355254329 375785048 /nfs/dbraw/zinc/78/50/48/375785048.db2.gz OLZQLXUBXBRUCV-UHFFFAOYSA-N 0 0 290.279 1.267 20 5 CDBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC2(C1)CCCC2 ZINC000428325551 247282091 /nfs/dbraw/zinc/28/20/91/247282091.db2.gz NMOBFMPSNQMOPX-UHFFFAOYSA-N 0 0 291.307 1.159 20 5 CDBDRN 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0 0 283.715 1.569 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC(C(F)(F)F)C1 ZINC000360516251 158565070 /nfs/dbraw/zinc/56/50/70/158565070.db2.gz QYNJXNAYDLGPFV-UHFFFAOYSA-N 0 0 292.217 1.248 20 5 CDBDRN Cc1ccc(C[NH2+][C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000362347345 159125728 /nfs/dbraw/zinc/12/57/28/159125728.db2.gz UXGMBPHXVHVQGI-SECBINFHSA-N 0 0 252.270 1.856 20 5 CDBDRN C[C@@H](CC(N)=O)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000362364332 159131771 /nfs/dbraw/zinc/13/17/71/159131771.db2.gz UCENQLWQTQIQPU-LURJTMIESA-N 0 0 285.687 1.242 20 5 CDBDRN C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362461839 159154428 /nfs/dbraw/zinc/15/44/28/159154428.db2.gz YWVLGVSTNFBRIY-VHSXEESVSA-N 0 0 279.296 1.829 20 5 CDBDRN CCO[C@@H]1C[C@H](Nc2c([N+](=O)[O-])c(CC)nn2C)[C@@H]1OC ZINC000362676640 159211303 /nfs/dbraw/zinc/21/13/03/159211303.db2.gz VYIDCSPUAVJBAU-UMNHJUIQSA-N 0 0 298.343 1.495 20 5 CDBDRN COCCO[C@@H]1COCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000362697365 159216066 /nfs/dbraw/zinc/21/60/66/159216066.db2.gz KBHYJWMVCTXRRY-TZMCWYRMSA-N 0 0 296.323 1.827 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@](O)(C2CC2)C1 ZINC000362843626 159250361 /nfs/dbraw/zinc/25/03/61/159250361.db2.gz QPSBLJMZSJVPNC-GFCCVEGCSA-N 0 0 283.715 1.994 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1Cc1ccccc1 ZINC000363322829 159321238 /nfs/dbraw/zinc/32/12/38/159321238.db2.gz MSVOBRRMHYFHDQ-BFHYXJOUSA-N 0 0 274.320 1.885 20 5 CDBDRN NC(=O)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000367928733 159558433 /nfs/dbraw/zinc/55/84/33/159558433.db2.gz TWOXGJQSOUDFHL-QMMMGPOBSA-N 0 0 267.260 1.436 20 5 CDBDRN CO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000371684320 160039970 /nfs/dbraw/zinc/03/99/70/160039970.db2.gz CWHISKYYOSNYHO-LLVKDONJSA-N 0 0 294.307 1.942 20 5 CDBDRN CC[C@@H](CCO)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000311238742 286832168 /nfs/dbraw/zinc/83/21/68/286832168.db2.gz VKXJIOLDSGBFGY-VIFPVBQESA-N 0 0 256.306 1.693 20 5 CDBDRN Cc1c(CC(=O)N2CCOC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000374331673 160274341 /nfs/dbraw/zinc/27/43/41/160274341.db2.gz LHPQHLJZIMMJPS-NSHDSACASA-N 0 0 292.335 1.941 20 5 CDBDRN CC[C@@H](COC)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000288319822 286852133 /nfs/dbraw/zinc/85/21/33/286852133.db2.gz DDRIGYGEZGFFAO-VIFPVBQESA-N 0 0 256.306 1.957 20 5 CDBDRN CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCCO1 ZINC000341389234 287214610 /nfs/dbraw/zinc/21/46/10/287214610.db2.gz IJLUHKWXRCUUSX-SNVBAGLBSA-N 0 0 251.286 1.995 20 5 CDBDRN CNC(=O)CSCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284265516 196016638 /nfs/dbraw/zinc/01/66/38/196016638.db2.gz PIUUPQDQOKHEGY-UHFFFAOYSA-N 0 0 285.281 1.482 20 5 CDBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000005971198 170164627 /nfs/dbraw/zinc/16/46/27/170164627.db2.gz RFXLRUDHOHHVFR-SECBINFHSA-N 0 0 279.296 1.816 20 5 CDBDRN CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000007981544 170311422 /nfs/dbraw/zinc/31/14/22/170311422.db2.gz WWBJGCQHOVPSGA-UHFFFAOYSA-N 0 0 282.256 1.027 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCCO)c1 ZINC000284551905 196082922 /nfs/dbraw/zinc/08/29/22/196082922.db2.gz XTRYCYJZTMRNGK-SNVBAGLBSA-N 0 0 296.323 1.884 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](O)C1 ZINC000020941414 171281826 /nfs/dbraw/zinc/28/18/26/171281826.db2.gz SMVVFGLIRJKRHY-GFCCVEGCSA-N 0 0 266.297 1.560 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](O)C1 ZINC000022737461 171396821 /nfs/dbraw/zinc/39/68/21/171396821.db2.gz PCCNGMZXUZBBRZ-NSHDSACASA-N 0 0 250.254 1.192 20 5 CDBDRN NC(=O)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000024366458 171434101 /nfs/dbraw/zinc/43/41/01/171434101.db2.gz GBFKDJAINOPXAN-UHFFFAOYSA-N 0 0 292.295 1.324 20 5 CDBDRN CC(C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000026941756 171503713 /nfs/dbraw/zinc/50/37/13/171503713.db2.gz XBRRDFJVCOTZGS-UHFFFAOYSA-N 0 0 297.336 1.310 20 5 CDBDRN COC(=O)CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000035163140 172023986 /nfs/dbraw/zinc/02/39/86/172023986.db2.gz QQCMNKFRKLSRIR-UHFFFAOYSA-N 0 0 266.253 1.148 20 5 CDBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCO)c1 ZINC000035201195 172045958 /nfs/dbraw/zinc/04/59/58/172045958.db2.gz NGNBTTKGMBYTKH-UHFFFAOYSA-N 0 0 270.310 1.429 20 5 CDBDRN C[C@@H](CO)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000035205281 172049358 /nfs/dbraw/zinc/04/93/58/172049358.db2.gz QYSFNRHVYYAULZ-IYNCYZAOSA-N 0 0 250.254 1.105 20 5 CDBDRN COc1ccc(C(=O)N2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000035207357 172051839 /nfs/dbraw/zinc/05/18/39/172051839.db2.gz GCRVXYQVCWHGSL-NSHDSACASA-N 0 0 294.307 1.590 20 5 CDBDRN C[C@H](CCc1ccco1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285129622 196203780 /nfs/dbraw/zinc/20/37/80/196203780.db2.gz WFXOGXQDFZFPHH-MRVPVSSYSA-N 0 0 278.268 1.662 20 5 CDBDRN CCCNC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285178985 196214958 /nfs/dbraw/zinc/21/49/58/196214958.db2.gz BPTOTBOPEZXYFJ-UHFFFAOYSA-N 0 0 279.340 1.595 20 5 CDBDRN CCCCNC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285468341 196293366 /nfs/dbraw/zinc/29/33/66/196293366.db2.gz ZWXFKTQDUCWODI-UHFFFAOYSA-N 0 0 293.367 1.985 20 5 CDBDRN Cc1cc(NCC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000036781839 172699889 /nfs/dbraw/zinc/69/98/89/172699889.db2.gz ILLLJWUUWILLMK-UHFFFAOYSA-N 0 0 251.286 1.840 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCC1 ZINC000285646201 196354007 /nfs/dbraw/zinc/35/40/07/196354007.db2.gz YAUATNQVWKMQEC-SSDOTTSWSA-N 0 0 252.274 1.626 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NCCS(C)(=O)=O ZINC000037491759 173232828 /nfs/dbraw/zinc/23/28/28/173232828.db2.gz FOCQGJIYHYDLJB-UHFFFAOYSA-N 0 0 258.299 1.360 20 5 CDBDRN O=C1CN(C2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000037606887 173554740 /nfs/dbraw/zinc/55/47/40/173554740.db2.gz QHOLBGHIHJUQDH-UHFFFAOYSA-N 0 0 261.237 1.526 20 5 CDBDRN COC(=O)CCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000040517137 174307635 /nfs/dbraw/zinc/30/76/35/174307635.db2.gz NQXNVAGQSZFUJJ-UHFFFAOYSA-N 0 0 292.089 1.507 20 5 CDBDRN Cc1cc(CNc2nccc(C)c2[N+](=O)[O-])n(C)n1 ZINC000286301673 196559128 /nfs/dbraw/zinc/55/91/28/196559128.db2.gz DPFCZSKDKVSHBA-UHFFFAOYSA-N 0 0 261.285 1.952 20 5 CDBDRN O=C(NCCn1ccnc1)c1csc([N+](=O)[O-])c1 ZINC000044326803 175163188 /nfs/dbraw/zinc/16/31/88/175163188.db2.gz CNBJEJLWTHNFNZ-UHFFFAOYSA-N 0 0 266.282 1.283 20 5 CDBDRN C[C@H](CN1CCOCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044535662 175198335 /nfs/dbraw/zinc/19/83/35/175198335.db2.gz PLRGRVCQYPVLJV-SECBINFHSA-N 0 0 299.352 1.107 20 5 CDBDRN CC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000044863777 175267429 /nfs/dbraw/zinc/26/74/29/175267429.db2.gz ZKDYNUOJABSXKH-LBPRGKRZSA-N 0 0 278.308 1.775 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[C@@H]1C ZINC000046034413 175390214 /nfs/dbraw/zinc/39/02/14/175390214.db2.gz RCPGOJCOKCZJKR-UWVGGRQHSA-N 0 0 284.337 1.838 20 5 CDBDRN Cn1ccnc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071140264 176038290 /nfs/dbraw/zinc/03/82/90/176038290.db2.gz HHAWVRSZTWXJAY-UHFFFAOYSA-N 0 0 294.698 1.912 20 5 CDBDRN O=C(NC[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071277573 176107859 /nfs/dbraw/zinc/10/78/59/176107859.db2.gz FTZUSXRGLGAVCY-NSHDSACASA-N 0 0 250.254 1.096 20 5 CDBDRN Cc1noc(CNC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000071847377 176276281 /nfs/dbraw/zinc/27/62/81/176276281.db2.gz LUKGPCUUAYBKNN-UHFFFAOYSA-N 0 0 262.225 1.216 20 5 CDBDRN CCS(=O)(=O)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000071904608 176295768 /nfs/dbraw/zinc/29/57/68/176295768.db2.gz GFWMYEICOVTVBV-SECBINFHSA-N 0 0 272.326 1.830 20 5 CDBDRN CN(Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000071908312 176297097 /nfs/dbraw/zinc/29/70/97/176297097.db2.gz NODYTRCAGXOJLM-UHFFFAOYSA-N 0 0 256.277 1.937 20 5 CDBDRN Nc1nc(Oc2cccc(-n3ccnc3)c2)ncc1[N+](=O)[O-] ZINC000072291261 176361952 /nfs/dbraw/zinc/36/19/52/176361952.db2.gz MNYRZIRVZDNXCY-UHFFFAOYSA-N 0 0 298.262 1.945 20 5 CDBDRN O=C(NC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000077207294 177234432 /nfs/dbraw/zinc/23/44/32/177234432.db2.gz JREJGFWGXCLCFM-WCQYABFASA-N 0 0 278.308 1.876 20 5 CDBDRN C[C@H](CCO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000077987779 177314656 /nfs/dbraw/zinc/31/46/56/177314656.db2.gz IWBFXAHDAVDTIQ-MRVPVSSYSA-N 0 0 288.325 1.181 20 5 CDBDRN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@@H]1CCCO1 ZINC000078224818 177326873 /nfs/dbraw/zinc/32/68/73/177326873.db2.gz CRVDFOOVRATZGU-JTQLQIEISA-N 0 0 275.264 1.484 20 5 CDBDRN CC[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000078535369 177351405 /nfs/dbraw/zinc/35/14/05/177351405.db2.gz XBKLYDNNJVSXSV-NSHDSACASA-N 0 0 291.307 1.254 20 5 CDBDRN CS(=O)(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000078635449 177362583 /nfs/dbraw/zinc/36/25/83/177362583.db2.gz TZJZODJFJVCISX-UHFFFAOYSA-N 0 0 287.293 1.073 20 5 CDBDRN COCCCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078803394 177390577 /nfs/dbraw/zinc/39/05/77/177390577.db2.gz NFDKWQIHSVXGGT-UHFFFAOYSA-N 0 0 264.281 1.911 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccnn2C)c1 ZINC000179526980 260052933 /nfs/dbraw/zinc/05/29/33/260052933.db2.gz YPDAQZCLPQQHEA-UHFFFAOYSA-N 0 0 291.263 1.694 20 5 CDBDRN Cc1ccccc1OCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179577890 260055401 /nfs/dbraw/zinc/05/54/01/260055401.db2.gz XJCLKYFHTIINQY-UHFFFAOYSA-N 0 0 290.279 1.435 20 5 CDBDRN CC[C@H](CO)N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000394209368 260123884 /nfs/dbraw/zinc/12/38/84/260123884.db2.gz CUDNZJVRQBWWBB-JLVNDZCYSA-N 0 0 278.308 1.837 20 5 CDBDRN Nc1nccnc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349487 260426920 /nfs/dbraw/zinc/42/69/20/260426920.db2.gz LOUJZLSFWFMENI-UHFFFAOYSA-N 0 0 299.290 1.166 20 5 CDBDRN C[C@H](CCCO)Nc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001589821702 1173186231 /nfs/dbraw/zinc/18/62/31/1173186231.db2.gz XGVGJVBXLYMDPY-MRVPVSSYSA-N 0 0 292.299 1.348 20 5 CDBDRN C[C@@H](CCO)Sc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001589834265 1173191170 /nfs/dbraw/zinc/19/11/70/1173191170.db2.gz GLFJTBVWJBQTTA-ZETCQYMHSA-N 0 0 295.324 1.638 20 5 CDBDRN O=C(c1cc[nH]c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188466541 262298687 /nfs/dbraw/zinc/29/86/87/262298687.db2.gz WTLJEEHGNUGEJI-UHFFFAOYSA-N 0 0 287.275 1.826 20 5 CDBDRN O=C1C[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)CN1 ZINC000398374831 270353955 /nfs/dbraw/zinc/35/39/55/270353955.db2.gz QJTVDKYJUWWVAQ-ZCFIWIBFSA-N 0 0 271.223 1.421 20 5 CDBDRN Cn1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000520270424 265750846 /nfs/dbraw/zinc/75/08/46/265750846.db2.gz NITPCLXSOICDKE-UHFFFAOYSA-N 0 0 290.279 1.137 20 5 CDBDRN CCc1[nH]nc(C(=O)Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-] ZINC000609476757 424609578 /nfs/dbraw/zinc/60/95/78/424609578.db2.gz IGTUZRALGZTHNK-UHFFFAOYSA-N 0 0 290.283 1.733 20 5 CDBDRN NC(=O)c1ccnc(N[C@H]2CCC[C@H](F)C2)c1[N+](=O)[O-] ZINC000514600057 266012677 /nfs/dbraw/zinc/01/26/77/266012677.db2.gz MUSZLVJZSLHPDG-YUMQZZPRSA-N 0 0 282.275 1.781 20 5 CDBDRN C[C@H](NC(=O)[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000055467190 270228080 /nfs/dbraw/zinc/22/80/80/270228080.db2.gz WXSLMMGBTDWXME-JOYOIKCWSA-N 0 0 280.280 1.187 20 5 CDBDRN CC(C)(C)OC(=O)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000266231329 270313530 /nfs/dbraw/zinc/31/35/30/270313530.db2.gz JPELHWYSRUOQAO-UHFFFAOYSA-N 0 0 283.288 1.111 20 5 CDBDRN CC1(C)[C@H](O)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000315092221 270326026 /nfs/dbraw/zinc/32/60/26/270326026.db2.gz OLUBOWBLNRZKLY-FMFIFOJESA-N 0 0 290.319 1.980 20 5 CDBDRN C[C@H]1C[C@@H](CO)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398629223 270357129 /nfs/dbraw/zinc/35/71/29/270357129.db2.gz NZVRLLFECNOYRE-WCQYABFASA-N 0 0 292.335 1.614 20 5 CDBDRN Cc1nc(N2C[C@H](O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000399231147 270371133 /nfs/dbraw/zinc/37/11/33/270371133.db2.gz BYXVIDVTOTWXHS-PSASIEDQSA-N 0 0 251.286 1.648 20 5 CDBDRN C[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000515059339 270425765 /nfs/dbraw/zinc/42/57/65/270425765.db2.gz JPCIFNGCZBMXJX-VIFPVBQESA-N 0 0 297.286 1.297 20 5 CDBDRN Cn1c(C(=O)NCc2ncccc2F)ccc1[N+](=O)[O-] ZINC000530311013 271201702 /nfs/dbraw/zinc/20/17/02/271201702.db2.gz 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CNc1c(C(=O)NCc2nonc2C)cccc1[N+](=O)[O-] ZINC000765528074 576036279 /nfs/dbraw/zinc/03/62/79/576036279.db2.gz LOSNGFAZHKTUTP-UHFFFAOYSA-N 0 0 291.267 1.258 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccccc1 ZINC000766660550 576119632 /nfs/dbraw/zinc/11/96/32/576119632.db2.gz HGWUQKBYHRACKK-UHFFFAOYSA-N 0 0 289.247 1.368 20 5 CDBDRN COc1cccc(C(=O)NOC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000768258739 576267303 /nfs/dbraw/zinc/26/73/03/576267303.db2.gz AKIXCCRZGIPWOV-VIFPVBQESA-N 0 0 296.279 1.301 20 5 CDBDRN CC(C)(C)C(=O)Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000768465583 576287176 /nfs/dbraw/zinc/28/71/76/576287176.db2.gz ZJGCQZMBKVWRKN-UHFFFAOYSA-N 0 0 283.240 1.280 20 5 CDBDRN O=C(COC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000769090017 576328722 /nfs/dbraw/zinc/32/87/22/576328722.db2.gz KSGWLEBSUVKKBE-MRVPVSSYSA-N 0 0 299.304 1.809 20 5 CDBDRN CC1(C)OC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])O1 ZINC000769349780 576347944 /nfs/dbraw/zinc/34/79/44/576347944.db2.gz 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832524440 /nfs/dbraw/zinc/52/44/40/832524440.db2.gz SOKBLQZQCDVIKG-UHFFFAOYSA-N 0 0 279.275 1.807 20 5 CDBDRN CC(C)OCCONC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000795074346 832529286 /nfs/dbraw/zinc/52/92/86/832529286.db2.gz JURDUXPTZXGOHI-UHFFFAOYSA-N 0 0 283.284 1.263 20 5 CDBDRN CC(C)(C)OC(=O)COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848787924 832534301 /nfs/dbraw/zinc/53/43/01/832534301.db2.gz UOXYHPXYOPOYPW-UHFFFAOYSA-N 0 0 297.267 1.071 20 5 CDBDRN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721412 832539640 /nfs/dbraw/zinc/53/96/40/832539640.db2.gz LWOKJMSDNGCPGP-FNCVBFRFSA-N 0 0 280.246 1.841 20 5 CDBDRN C[C@@H]1COCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823974958 833874425 /nfs/dbraw/zinc/87/44/25/833874425.db2.gz XPKWUAJOTVMGJV-VIFPVBQESA-N 0 0 294.311 1.677 20 5 CDBDRN CO[C@@H]1CCC[C@H]1OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000119170239 832573678 /nfs/dbraw/zinc/57/36/78/832573678.db2.gz LYSZFLZFXGWZHY-GHMZBOCLSA-N 0 0 283.284 1.292 20 5 CDBDRN C[C@@]1(O)CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882147759 832575474 /nfs/dbraw/zinc/57/54/74/832575474.db2.gz PCVSUVXRCQCVIK-LLVKDONJSA-N 0 0 255.249 1.480 20 5 CDBDRN CC(C)(CCC(=O)N[C@H](CCO)C(F)(F)F)[N+](=O)[O-] ZINC000854614906 832589125 /nfs/dbraw/zinc/58/91/25/832589125.db2.gz FUEVYMWNWYYNCI-SSDOTTSWSA-N 0 0 286.250 1.251 20 5 CDBDRN CC(C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119311644 833886795 /nfs/dbraw/zinc/88/67/95/833886795.db2.gz BUPJWPKVVBQAOT-UHFFFAOYSA-N 0 0 278.355 1.981 20 5 CDBDRN CC[S@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000925862528 832593438 /nfs/dbraw/zinc/59/34/38/832593438.db2.gz SSQDLGZUTKGVCU-KRWDZBQOSA-N 0 0 256.283 1.853 20 5 CDBDRN COc1c(C(=O)OCCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000796667060 832596874 /nfs/dbraw/zinc/59/68/74/832596874.db2.gz QNETWQAZDHGEFL-UHFFFAOYSA-N 0 0 296.279 1.239 20 5 CDBDRN NCc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000842651149 832600224 /nfs/dbraw/zinc/60/02/24/832600224.db2.gz TYIBOEROQYAOPO-UHFFFAOYSA-N 0 0 289.295 1.704 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@H]1C[C@H]2C[C@H]2C1 ZINC000851412251 833890990 /nfs/dbraw/zinc/89/09/90/833890990.db2.gz KEOGTQBHJHVAIU-OWUUHHOZSA-N 0 0 265.269 1.381 20 5 CDBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839626392 832649848 /nfs/dbraw/zinc/64/98/48/832649848.db2.gz QIIBWGYGEZYDSA-AAVRWANBSA-N 0 0 290.319 1.688 20 5 CDBDRN O=C(Nc1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000709827830 832676249 /nfs/dbraw/zinc/67/62/49/832676249.db2.gz YIDRUWPWNYORIY-UHFFFAOYSA-N 0 0 268.620 1.014 20 5 CDBDRN O=C(O[C@@H]1CCC(=O)NC1)c1ccccc1[N+](=O)[O-] ZINC000809018017 832676546 /nfs/dbraw/zinc/67/65/46/832676546.db2.gz CJQNPHPZMMNSLN-MRVPVSSYSA-N 0 0 264.237 1.030 20 5 CDBDRN CC(C)N1C[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])CC1=O ZINC000881901419 832695395 /nfs/dbraw/zinc/69/53/95/832695395.db2.gz PEYDCTCBYKMMRN-QMMMGPOBSA-N 0 0 282.275 1.550 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000860916213 832700966 /nfs/dbraw/zinc/70/09/66/832700966.db2.gz QBQWNOLFNTYBDD-UHFFFAOYSA-N 0 0 292.291 1.785 20 5 CDBDRN CC(C)(C)CNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000859450660 832720003 /nfs/dbraw/zinc/72/00/03/832720003.db2.gz SCHJCNCRAWBFAB-UHFFFAOYSA-N 0 0 284.268 1.507 20 5 CDBDRN O=C(C[C@H]1CCNC1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000887862636 833957501 /nfs/dbraw/zinc/95/75/01/833957501.db2.gz ONGYMYPQOAUFGO-SNVBAGLBSA-N 0 0 289.291 1.010 20 5 CDBDRN CN1C(=O)CCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000922997819 833959872 /nfs/dbraw/zinc/95/98/72/833959872.db2.gz MSLAKZJKXQZKMR-GFCCVEGCSA-N 0 0 292.291 1.649 20 5 CDBDRN Cc1nn(C)c(C(=O)Nc2ccc(Cl)nc2)c1[N+](=O)[O-] ZINC000103744772 833960827 /nfs/dbraw/zinc/96/08/27/833960827.db2.gz WCEMVZSMJDCTNZ-UHFFFAOYSA-N 0 0 295.686 1.937 20 5 CDBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(=O)[nH]1 ZINC000787268591 832747517 /nfs/dbraw/zinc/74/75/17/832747517.db2.gz GQUMXFYEKRFGSR-UHFFFAOYSA-N 0 0 288.263 1.838 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@H](C3OCCO3)C2)c1 ZINC000718968378 832750960 /nfs/dbraw/zinc/75/09/60/832750960.db2.gz CTYRFOSCMUYUGO-JTQLQIEISA-N 0 0 294.307 1.803 20 5 CDBDRN CC[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000833690503 833978104 /nfs/dbraw/zinc/97/81/04/833978104.db2.gz UEXBMYIXRKOFRK-VXGBXAGGSA-N 0 0 296.323 1.294 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2ccnc2)C1 ZINC000786984227 832757571 /nfs/dbraw/zinc/75/75/71/832757571.db2.gz SKYNNMDSYYJXSL-UHFFFAOYSA-N 0 0 287.279 1.071 20 5 CDBDRN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000889368513 832788848 /nfs/dbraw/zinc/78/88/48/832788848.db2.gz LOKZLHYYNWWXKA-JGVFFNPUSA-N 0 0 270.310 1.906 20 5 CDBDRN COc1cccc2c1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000839785653 832803320 /nfs/dbraw/zinc/80/33/20/832803320.db2.gz JLJDBGATRJABHS-ZYHUDNBSSA-N 0 0 276.292 1.245 20 5 CDBDRN C[C@@H](O)COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000791721350 832804131 /nfs/dbraw/zinc/80/41/31/832804131.db2.gz VVKORCGUOZBRMO-SECBINFHSA-N 0 0 291.263 1.318 20 5 CDBDRN CC(=O)N[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])C(C)C ZINC000012345379 832806975 /nfs/dbraw/zinc/80/69/75/832806975.db2.gz DYMDZBZEQRNELQ-ZDUSSCGKSA-N 0 0 294.307 1.799 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCNC(=O)C1 ZINC000778942061 832807263 /nfs/dbraw/zinc/80/72/63/832807263.db2.gz FJBSOMUCJJBWIR-NSHDSACASA-N 0 0 277.324 1.786 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000855425826 832816754 /nfs/dbraw/zinc/81/67/54/832816754.db2.gz ONPLMFXOEKFWJX-SSDOTTSWSA-N 0 0 250.258 1.329 20 5 CDBDRN Cc1ncccc1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000811169875 832825701 /nfs/dbraw/zinc/82/57/01/832825701.db2.gz HBXSLBDIOXYOAH-UHFFFAOYSA-N 0 0 288.263 1.632 20 5 CDBDRN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CNC(=O)C1 ZINC000802198217 832826022 /nfs/dbraw/zinc/82/60/22/832826022.db2.gz VOVBSDRTKUPBAD-ZDUSSCGKSA-N 0 0 278.264 1.278 20 5 CDBDRN O=C(N[C@@H]1C=CCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855435651 832843078 /nfs/dbraw/zinc/84/30/78/832843078.db2.gz KXDQIYWLYGJRJM-ZYHUDNBSSA-N 0 0 262.265 1.463 20 5 CDBDRN CCOC(=O)c1ccc(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840247482 832843234 /nfs/dbraw/zinc/84/32/34/832843234.db2.gz OVMFCOWAWANMLX-GHMZBOCLSA-N 0 0 279.248 1.434 20 5 CDBDRN C[C@H](CNC(=O)c1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000887402586 832845204 /nfs/dbraw/zinc/84/52/04/832845204.db2.gz FXOMHWZAHYVVNW-SNVBAGLBSA-N 0 0 288.307 1.862 20 5 CDBDRN COC(=O)C1(OC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000810759739 832846460 /nfs/dbraw/zinc/84/64/60/832846460.db2.gz RNAYKFQPNAZXQC-UHFFFAOYSA-N 0 0 279.248 1.766 20 5 CDBDRN C[NH+](C)CCONC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989822 832849854 /nfs/dbraw/zinc/84/98/54/832849854.db2.gz BUWITVRYOLMBBF-CHWSQXEVSA-N 0 0 293.323 1.308 20 5 CDBDRN CC(C)[C@H](CCO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886125071 832852309 /nfs/dbraw/zinc/85/23/09/832852309.db2.gz IWPIKDHEPOIUNI-NSHDSACASA-N 0 0 253.302 1.486 20 5 CDBDRN CCOC(=O)CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176195856 832857767 /nfs/dbraw/zinc/85/77/67/832857767.db2.gz REHWNHUQOWOXKW-UHFFFAOYSA-N 0 0 284.243 1.335 20 5 CDBDRN O=C(NC1CSC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000880732859 832859407 /nfs/dbraw/zinc/85/94/07/832859407.db2.gz VFSKUPYBPSDATA-UHFFFAOYSA-N 0 0 277.305 1.921 20 5 CDBDRN CC[S@](C)(=O)=NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000925839024 832881156 /nfs/dbraw/zinc/88/11/56/832881156.db2.gz OUFDIQBWVUBXOF-SFHVURJKSA-N 0 0 270.310 1.782 20 5 CDBDRN CC[C@H](OC(=O)c1ccnc(NC)c1[N+](=O)[O-])C(=O)OC ZINC000848789816 832899297 /nfs/dbraw/zinc/89/92/97/832899297.db2.gz GCUDSODNTQISLG-QMMMGPOBSA-N 0 0 297.267 1.140 20 5 CDBDRN COc1ccc(NC(=O)[C@H](C)OC(C)=O)c([N+](=O)[O-])c1 ZINC000007259746 832901022 /nfs/dbraw/zinc/90/10/22/832901022.db2.gz BVCGZOGXMHVWAE-ZETCQYMHSA-N 0 0 282.252 1.494 20 5 CDBDRN Cc1c(OC(=O)C[C@@H]2CCCC(=O)N2)cccc1[N+](=O)[O-] ZINC000808283414 832979934 /nfs/dbraw/zinc/97/99/34/832979934.db2.gz ZGNNNSSDICOTSM-JTQLQIEISA-N 0 0 292.291 1.867 20 5 CDBDRN O=C(CC[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000261633138 833476937 /nfs/dbraw/zinc/47/69/37/833476937.db2.gz BOWVORAGEHYVDN-SECBINFHSA-N 0 0 279.296 1.771 20 5 CDBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000928046111 833589016 /nfs/dbraw/zinc/58/90/16/833589016.db2.gz LVNJTYQZEHDBHR-LURQLKTLSA-N 0 0 250.254 1.962 20 5 CDBDRN COC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069799355 833620478 /nfs/dbraw/zinc/62/04/78/833620478.db2.gz SJOOPZDTDFNZGW-NSHDSACASA-N 0 0 285.256 1.312 20 5 CDBDRN O=C(C[C@@H]1CCCOC1)OCCn1ccc([N+](=O)[O-])n1 ZINC000795902900 833700039 /nfs/dbraw/zinc/70/00/39/833700039.db2.gz XBGTYOVNXQPUBG-JTQLQIEISA-N 0 0 283.284 1.151 20 5 CDBDRN C[C@@H](O)CCn1cc([N+](=O)[O-])nc1Br ZINC000849992834 833798036 /nfs/dbraw/zinc/79/80/36/833798036.db2.gz IYJQSPGGSKHOEA-RXMQYKEDSA-N 0 0 264.079 1.325 20 5 CDBDRN CC[C@H](C)[C@@H](OC)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000795989590 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PCEHAMGHHXDFMI-UHFFFAOYSA-N 0 0 280.328 1.748 20 5 CDBDRN COc1ccc(CNC(=O)COC(F)F)cc1[N+](=O)[O-] ZINC000350699674 366492180 /nfs/dbraw/zinc/49/21/80/366492180.db2.gz KZIGEMNADAMLQG-UHFFFAOYSA-N 0 0 290.222 1.459 20 5 CDBDRN CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000084371974 358855439 /nfs/dbraw/zinc/85/54/39/358855439.db2.gz MZNNZDBPLXKMAU-GUOLPTJISA-N 0 0 292.291 1.676 20 5 CDBDRN C[C@H]1C[C@H](O)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000408279329 358876718 /nfs/dbraw/zinc/87/67/18/358876718.db2.gz ZAXGNRURCUUEQD-CPCISQLKSA-N 0 0 283.259 1.721 20 5 CDBDRN COc1ccc(CN(C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000051588503 358904749 /nfs/dbraw/zinc/90/47/49/358904749.db2.gz XGBPPNQHCKNYAN-UHFFFAOYSA-N 0 0 281.312 1.123 20 5 CDBDRN CC(C)[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ncc[nH]1 ZINC000291272195 358906591 /nfs/dbraw/zinc/90/65/91/358906591.db2.gz ZVYOBTFLMFPUIF-VIFPVBQESA-N 0 0 262.273 1.917 20 5 CDBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000103468321 358924093 /nfs/dbraw/zinc/92/40/93/358924093.db2.gz LODSGZXHZURSBY-SNVBAGLBSA-N 0 0 295.364 1.971 20 5 CDBDRN COCCOC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341212199 366530474 /nfs/dbraw/zinc/53/04/74/366530474.db2.gz LRNACBROCVVTFU-JTQLQIEISA-N 0 0 297.311 1.768 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCC(C)(C)N2CCOCC2)n1 ZINC000119884933 359038293 /nfs/dbraw/zinc/03/82/93/359038293.db2.gz DGZRIWNNZSEQHD-UHFFFAOYSA-N 0 0 294.355 1.821 20 5 CDBDRN Cc1nc(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000450705304 358987768 /nfs/dbraw/zinc/98/77/68/358987768.db2.gz NPLKIMDGPJANQJ-DMDPSCGWSA-N 0 0 292.339 1.823 20 5 CDBDRN Cc1nc(N2CCC[C@@H]2[C@H]2CCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000450705306 358987972 /nfs/dbraw/zinc/98/79/72/358987972.db2.gz NPLKIMDGPJANQJ-NQBHXWOUSA-N 0 0 292.339 1.823 20 5 CDBDRN O=C(Nc1nc[nH]n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000071969311 358989932 /nfs/dbraw/zinc/98/99/32/358989932.db2.gz ZUYADQUGACPUOO-UHFFFAOYSA-N 0 0 299.250 1.151 20 5 CDBDRN O=C(CN1CCc2cc([N+](=O)[O-])ccc21)N1CCC1 ZINC000267178922 358993896 /nfs/dbraw/zinc/99/38/96/358993896.db2.gz DVYXTDVJITXQQQ-UHFFFAOYSA-N 0 0 261.281 1.190 20 5 CDBDRN O=C(NCCc1ncc[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000135485635 358995607 /nfs/dbraw/zinc/99/56/07/358995607.db2.gz NJIJBMFKMAZAMY-UHFFFAOYSA-N 0 0 278.243 1.430 20 5 CDBDRN O=C(CC[C@H]1CCCCO1)Cn1cc([N+](=O)[O-])cn1 ZINC000450795208 359005567 /nfs/dbraw/zinc/00/55/67/359005567.db2.gz KRMRRJPFPQWYAI-GFCCVEGCSA-N 0 0 267.285 1.710 20 5 CDBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H](C)O ZINC000450796981 359005866 /nfs/dbraw/zinc/00/58/66/359005866.db2.gz MVXBYKVFRHDDEP-BQBZGAKWSA-N 0 0 257.265 1.887 20 5 CDBDRN C[C@H]1CSC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000342348297 359015568 /nfs/dbraw/zinc/01/55/68/359015568.db2.gz SRMZOJPZOCKVRH-CBAPKCEASA-N 0 0 281.337 1.658 20 5 CDBDRN O=[N+]([O-])c1ccn(C[C@H](O)COc2ccccc2)n1 ZINC000270100823 359107482 /nfs/dbraw/zinc/10/74/82/359107482.db2.gz JJIDNVMLYXMJPN-JTQLQIEISA-N 0 0 263.253 1.231 20 5 CDBDRN Nc1ccc(NCC2(N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000287718993 359108383 /nfs/dbraw/zinc/10/83/83/359108383.db2.gz LCHKUCWOZFBAKI-UHFFFAOYSA-N 0 0 292.339 1.454 20 5 CDBDRN C[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000342433745 359051859 /nfs/dbraw/zinc/05/18/59/359051859.db2.gz UTOHPGSWNQFPMS-MWLCHTKSSA-N 0 0 284.337 1.118 20 5 CDBDRN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccncc1F ZINC000338372549 359124472 /nfs/dbraw/zinc/12/44/72/359124472.db2.gz OFRPWYRTQSPYJP-LURJTMIESA-N 0 0 279.231 1.343 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCSC1 ZINC000267250680 359149833 /nfs/dbraw/zinc/14/98/33/359149833.db2.gz MEHIYSRVHRKAPD-SECBINFHSA-N 0 0 284.341 1.112 20 5 CDBDRN Cc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000029209791 359158897 /nfs/dbraw/zinc/15/88/97/359158897.db2.gz HKTRZPQQJPHUGI-UHFFFAOYSA-N 0 0 260.253 1.738 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](F)(CO)C1 ZINC000338746596 359169891 /nfs/dbraw/zinc/16/98/91/359169891.db2.gz FYMLPXQQYSTCPU-CYBMUJFWSA-N 0 0 298.270 1.150 20 5 CDBDRN COC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000308253785 359307889 /nfs/dbraw/zinc/30/78/89/359307889.db2.gz HMAKEFUXCNIZPI-UHFFFAOYSA-N 0 0 254.246 1.066 20 5 CDBDRN CCc1nnc([C@H](C)n2cc(C)c([N+](=O)[O-])n2)o1 ZINC000332726638 359364343 /nfs/dbraw/zinc/36/43/43/359364343.db2.gz SOWXFAKKFAJXJF-ZETCQYMHSA-N 0 0 251.246 1.654 20 5 CDBDRN CNC(=O)c1ccc(N(C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000267280944 359333968 /nfs/dbraw/zinc/33/39/68/359333968.db2.gz OVYSBZDSVOLDHC-SNVBAGLBSA-N 0 0 293.323 1.427 20 5 CDBDRN CC[C@@H]1[C@@H](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000274754895 192756781 /nfs/dbraw/zinc/75/67/81/192756781.db2.gz MGPRXWCMSZCITB-GXSJLCMTSA-N 0 0 266.301 1.438 20 5 CDBDRN CN(CC(C)(C)O)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347408218 359352999 /nfs/dbraw/zinc/35/29/99/359352999.db2.gz MDRVEIWBKVQOAI-UHFFFAOYSA-N 0 0 276.296 1.745 20 5 CDBDRN CCCCN(CC(N)=O)c1c([N+](=O)[O-])nc(C)n1CC ZINC000288844146 359404786 /nfs/dbraw/zinc/40/47/86/359404786.db2.gz JYFWSEMTKVLBKL-UHFFFAOYSA-N 0 0 283.332 1.211 20 5 CDBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 ZINC000033420339 359493127 /nfs/dbraw/zinc/49/31/27/359493127.db2.gz QSRBFRAQLAMYPZ-UJZCVKTISA-N 0 0 276.292 1.903 20 5 CDBDRN CCc1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)o1 ZINC000347749266 359525748 /nfs/dbraw/zinc/52/57/48/359525748.db2.gz WDAOCWVJDSXHGD-UHFFFAOYSA-N 0 0 278.268 1.712 20 5 CDBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC(=O)NC ZINC000289648640 359656390 /nfs/dbraw/zinc/65/63/90/359656390.db2.gz DFDCFYMZMGKEEH-UHFFFAOYSA-N 0 0 294.311 1.415 20 5 CDBDRN Cc1nc(NCCn2cnnc2C(C)C)ncc1[N+](=O)[O-] ZINC000297010027 200060070 /nfs/dbraw/zinc/06/00/70/200060070.db2.gz GKQJOEJIPVMEFT-UHFFFAOYSA-N 0 0 291.315 1.520 20 5 CDBDRN Cc1nc(N[C@@H](C)[C@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000297084055 200080833 /nfs/dbraw/zinc/08/08/33/200080833.db2.gz KBGIUMUMYAGJTR-CBAPKCEASA-N 0 0 252.274 1.530 20 5 CDBDRN COC(=O)Cc1ccc(NC[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000297154421 200100545 /nfs/dbraw/zinc/10/05/45/200100545.db2.gz OMZRDNLMASLVRX-JTQLQIEISA-N 0 0 296.323 1.741 20 5 CDBDRN Cc1nc(NC[C@@H](C)C[C@@H](C)O)ncc1[N+](=O)[O-] ZINC000297261898 200128342 /nfs/dbraw/zinc/12/83/42/200128342.db2.gz WCGFQUHAKRZQLG-JGVFFNPUSA-N 0 0 254.290 1.512 20 5 CDBDRN Cc1cc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)no1 ZINC000060973982 359727213 /nfs/dbraw/zinc/72/72/13/359727213.db2.gz FNSALQOBAYZRMS-UHFFFAOYSA-N 0 0 286.247 1.649 20 5 CDBDRN Cc1ccc(CN2CC(CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000297506669 200213994 /nfs/dbraw/zinc/21/39/94/200213994.db2.gz WSAIZEAMFHZJQR-UHFFFAOYSA-N 0 0 263.297 1.210 20 5 CDBDRN C[C@H](NC(=O)N1CC[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297657030 200254859 /nfs/dbraw/zinc/25/48/59/200254859.db2.gz ODTCRKLZZGDHLG-IINYFYTJSA-N 0 0 293.323 1.822 20 5 CDBDRN Cc1cc(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000176402277 188993774 /nfs/dbraw/zinc/99/37/74/188993774.db2.gz FIUCNYFXEXBSAE-UHFFFAOYSA-N 0 0 288.307 1.827 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)C ZINC000297790851 200281617 /nfs/dbraw/zinc/28/16/17/200281617.db2.gz HHPRWMNGJCGQOT-UHFFFAOYSA-N 0 0 293.323 1.922 20 5 CDBDRN CCN(CCCO)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000270169806 359913434 /nfs/dbraw/zinc/91/34/34/359913434.db2.gz JXATWJFBNWLECE-UHFFFAOYSA-N 0 0 281.312 1.238 20 5 CDBDRN O=C(CCc1ccccc1)Cn1cnc([N+](=O)[O-])n1 ZINC000089455779 359915740 /nfs/dbraw/zinc/91/57/40/359915740.db2.gz HKSVRSPCPVBGIP-UHFFFAOYSA-N 0 0 260.253 1.388 20 5 CDBDRN Cc1cc(C(=O)NCc2csc(=O)[nH]2)cc([N+](=O)[O-])c1 ZINC000089508593 359956813 /nfs/dbraw/zinc/95/68/13/359956813.db2.gz VZDWVNJFKBTLBD-UHFFFAOYSA-N 0 0 293.304 1.583 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](CO)C1 ZINC000051885369 359945097 /nfs/dbraw/zinc/94/50/97/359945097.db2.gz SWUBFOCWOZMNDR-ZETCQYMHSA-N 0 0 256.283 1.111 20 5 CDBDRN O=C1CC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CN1 ZINC000130385303 359978909 /nfs/dbraw/zinc/97/89/09/359978909.db2.gz KDFIJZBPBFFOBH-VIFPVBQESA-N 0 0 286.291 1.834 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000270266909 360009995 /nfs/dbraw/zinc/00/99/95/360009995.db2.gz ZFBGXRFZHMLPMH-JTQLQIEISA-N 0 0 291.307 1.819 20 5 CDBDRN COCC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000135779447 360035116 /nfs/dbraw/zinc/03/51/16/360035116.db2.gz MQHXRFBRVSAMCX-UHFFFAOYSA-N 0 0 267.285 1.332 20 5 CDBDRN COC(=O)CCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000298164897 200350247 /nfs/dbraw/zinc/35/02/47/200350247.db2.gz XTMBACOCCGIWIY-UHFFFAOYSA-N 0 0 278.264 1.437 20 5 CDBDRN O=[N+]([O-])c1ccc(CN(CCO)CC(F)F)cc1F ZINC000231315322 360044940 /nfs/dbraw/zinc/04/49/40/360044940.db2.gz VHHGGUYAEQHPJK-UHFFFAOYSA-N 0 0 278.230 1.793 20 5 CDBDRN O=C(C[C@H]1CCCO1)NCc1ccccc1[N+](=O)[O-] ZINC000046136238 360047988 /nfs/dbraw/zinc/04/79/88/360047988.db2.gz HBXKDIJDHLLJMX-LLVKDONJSA-N 0 0 264.281 1.780 20 5 CDBDRN C[C@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000089511914 360051535 /nfs/dbraw/zinc/05/15/35/360051535.db2.gz UIWOSWMLFWYPKP-MRVPVSSYSA-N 0 0 268.269 1.049 20 5 CDBDRN O=C(NCCn1cccc1)c1ccc([N+](=O)[O-])cc1F ZINC000342738210 360055039 /nfs/dbraw/zinc/05/50/39/360055039.db2.gz UCTHSZUQGHOXLN-UHFFFAOYSA-N 0 0 277.255 1.965 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCNCC1(F)F ZINC000342750830 360059296 /nfs/dbraw/zinc/05/92/96/360059296.db2.gz MAMYVPBDJIOCRD-JTQLQIEISA-N 0 0 299.277 1.456 20 5 CDBDRN COCCN(CCOC)c1ccc([N+](=O)[O-])c2nonc21 ZINC000298208106 200360180 /nfs/dbraw/zinc/36/01/80/200360180.db2.gz QWDPCZMTYVCHIX-UHFFFAOYSA-N 0 0 296.283 1.230 20 5 CDBDRN C[C@H](CNc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000298310553 200391293 /nfs/dbraw/zinc/39/12/93/200391293.db2.gz PCGGKJGGTUTJTQ-LLVKDONJSA-N 0 0 265.313 1.727 20 5 CDBDRN C[C@@]1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000348033585 360110101 /nfs/dbraw/zinc/11/01/01/360110101.db2.gz YNONTFXTGBYEHP-CQSZACIVSA-N 0 0 278.308 1.680 20 5 CDBDRN C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000354771245 360118788 /nfs/dbraw/zinc/11/87/88/360118788.db2.gz KLZDEBMCXXZXEV-VGMNWLOBSA-N 0 0 266.301 1.872 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nccs2)n1 ZINC000166718355 360234663 /nfs/dbraw/zinc/23/46/63/360234663.db2.gz SFZPWWPUIXGDII-UHFFFAOYSA-N 0 0 294.292 1.845 20 5 CDBDRN CC[C@@H](C)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000146016340 360344752 /nfs/dbraw/zinc/34/47/52/360344752.db2.gz AJOACTXVWRLYLZ-VXNVDRBHSA-N 0 0 254.290 1.575 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCN2CCOCC2(C)C)n1 ZINC000178210669 189098556 /nfs/dbraw/zinc/09/85/56/189098556.db2.gz ZZASFBRBXRPTRA-UHFFFAOYSA-N 0 0 294.355 1.821 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)N2CCOCC2)n1 ZINC000178212630 189098566 /nfs/dbraw/zinc/09/85/66/189098566.db2.gz ZSCYLDXAMWFZIX-NWDGAFQWSA-N 0 0 294.355 1.819 20 5 CDBDRN CC(=O)NCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000132192054 219834032 /nfs/dbraw/zinc/83/40/32/219834032.db2.gz QQTRKKUOMDDZGS-UHFFFAOYSA-N 0 0 292.295 1.028 20 5 CDBDRN O=C(NC1CC(OCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000369934053 360721591 /nfs/dbraw/zinc/72/15/91/360721591.db2.gz QFOGZXUFZLGRFW-NWINJMCUSA-N 0 0 290.319 1.516 20 5 CDBDRN CC(C)(CCO)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000178603705 189130706 /nfs/dbraw/zinc/13/07/06/189130706.db2.gz YIXQJUMIVKCFBX-UHFFFAOYSA-N 0 0 296.323 1.498 20 5 CDBDRN CN(CC(C)(C)C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575070426 360778139 /nfs/dbraw/zinc/77/81/39/360778139.db2.gz XQOHITQUGALRLB-UHFFFAOYSA-N 0 0 266.301 1.520 20 5 CDBDRN COC(=O)CCCN1CCc2c1cccc2[N+](=O)[O-] ZINC000178949205 189157066 /nfs/dbraw/zinc/15/70/66/189157066.db2.gz PWFUCOHFYWEOIL-UHFFFAOYSA-N 0 0 264.281 1.911 20 5 CDBDRN CCC[C@@H]1C(=O)NCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000179383014 189190151 /nfs/dbraw/zinc/19/01/51/189190151.db2.gz IJBKLUVCTPWQCV-SECBINFHSA-N 0 0 297.336 1.397 20 5 CDBDRN Cc1ccccc1C[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179553554 189201730 /nfs/dbraw/zinc/20/17/30/189201730.db2.gz OWPCJQSLNSNWQV-SNVBAGLBSA-N 0 0 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0 0 294.354 1.014 20 5 CDBDRN O=C(NCCCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])o1 ZINC000124846348 374853956 /nfs/dbraw/zinc/85/39/56/374853956.db2.gz LUDJXNRNRAQYHW-SNVBAGLBSA-N 0 0 298.295 1.361 20 5 CDBDRN O=C(N[C@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000330474754 374855201 /nfs/dbraw/zinc/85/52/01/374855201.db2.gz SFKRSSXYIBJBDA-GFCCVEGCSA-N 0 0 295.339 1.984 20 5 CDBDRN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCO1 ZINC000331329907 374930662 /nfs/dbraw/zinc/93/06/62/374930662.db2.gz SIPLJEBOIUXTSV-NSHDSACASA-N 0 0 253.258 1.222 20 5 CDBDRN C[C@H]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000331543690 374970483 /nfs/dbraw/zinc/97/04/83/374970483.db2.gz URWFIENXJUKQOJ-VHSXEESVSA-N 0 0 281.316 1.271 20 5 CDBDRN Cn1cc([N+](=O)[O-])c(C(=O)N(CC(F)(F)F)C2CC2)n1 ZINC000331547878 374971600 /nfs/dbraw/zinc/97/16/00/374971600.db2.gz VHVFCHANLHXVSF-UHFFFAOYSA-N 0 0 292.217 1.495 20 5 CDBDRN CCC1(CC)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000293833705 374963349 /nfs/dbraw/zinc/96/33/49/374963349.db2.gz BVIBDDVCRKFWRP-UHFFFAOYSA-N 0 0 279.296 1.958 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)NC[C@]2(C)CCCO2)c1[N+](=O)[O-] ZINC000331213281 374907968 /nfs/dbraw/zinc/90/79/68/374907968.db2.gz LLRUDVRLXXNEEQ-ZDUSSCGKSA-N 0 0 296.327 1.740 20 5 CDBDRN CSCCONC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000279932367 374976487 /nfs/dbraw/zinc/97/64/87/374976487.db2.gz HZRZLNUULBKLRS-UHFFFAOYSA-N 0 0 284.337 1.938 20 5 CDBDRN C[C@@H](O)CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000280117437 374981681 /nfs/dbraw/zinc/98/16/81/374981681.db2.gz VBDPVGWJJPCPEB-LLVKDONJSA-N 0 0 295.339 1.598 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280174388 374986131 /nfs/dbraw/zinc/98/61/31/374986131.db2.gz HNBCWFBEECDYDU-FZMZJTMJSA-N 0 0 293.323 1.682 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CC1CCC1 ZINC000280307801 374991148 /nfs/dbraw/zinc/99/11/48/374991148.db2.gz SOGQYYVKRYYRIG-CYBMUJFWSA-N 0 0 292.335 1.805 20 5 CDBDRN CN1CCO[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332199266 375014169 /nfs/dbraw/zinc/01/41/69/375014169.db2.gz CWWWPHPOPUAOFJ-ZIAGYGMSSA-N 0 0 277.324 1.110 20 5 CDBDRN COc1cccc(C(=O)N2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000332242602 375018006 /nfs/dbraw/zinc/01/80/06/375018006.db2.gz VWRDLQWMJQRVBM-JTQLQIEISA-N 0 0 294.307 1.590 20 5 CDBDRN COC(=O)[C@H](C)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000280752531 375018631 /nfs/dbraw/zinc/01/86/31/375018631.db2.gz NLNSHMQCMRBQRP-JTQLQIEISA-N 0 0 282.296 1.467 20 5 CDBDRN CCC(=O)c1ccc(N(C)CCC(=O)NC)c([N+](=O)[O-])c1 ZINC000280761596 375019941 /nfs/dbraw/zinc/01/99/41/375019941.db2.gz QQTMHNVVYCIPAN-UHFFFAOYSA-N 0 0 293.323 1.760 20 5 CDBDRN Cc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)cc1[N+](=O)[O-] ZINC000332291135 375023948 /nfs/dbraw/zinc/02/39/48/375023948.db2.gz YAWIKMNGZQYAJO-CABCVRRESA-N 0 0 291.351 1.418 20 5 CDBDRN CCCCCNC(=O)[C@H](C)n1cc(C)c([N+](=O)[O-])n1 ZINC000282372570 375081602 /nfs/dbraw/zinc/08/16/02/375081602.db2.gz 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/nfs/dbraw/zinc/74/47/13/246744713.db2.gz MERFOCYRTYKKIE-SNVBAGLBSA-N 0 0 278.312 1.000 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H]1CO ZINC000283305309 375113392 /nfs/dbraw/zinc/11/33/92/375113392.db2.gz XRAGBJIHRZEJQK-KRTXAFLBSA-N 0 0 297.286 1.159 20 5 CDBDRN CCn1ncnc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000283765924 375124201 /nfs/dbraw/zinc/12/42/01/375124201.db2.gz KYPSNGNDWIQWDR-UHFFFAOYSA-N 0 0 290.279 1.492 20 5 CDBDRN C[C@H]1C(=O)NCCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000302760103 375246534 /nfs/dbraw/zinc/24/65/34/375246534.db2.gz JWIOJCMQCVZUAE-QMMMGPOBSA-N 0 0 283.715 1.963 20 5 CDBDRN COC(=O)[C@H]1C[C@@H](OC)CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000302754184 375246593 /nfs/dbraw/zinc/24/65/93/375246593.db2.gz IDDGTTZFWSJVAJ-NXEZZACHSA-N 0 0 295.295 1.065 20 5 CDBDRN Cc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000161981728 375249044 /nfs/dbraw/zinc/24/90/44/375249044.db2.gz IRQZHCPWAUBLRL-UHFFFAOYSA-N 0 0 290.283 1.316 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)NC1(CO)CCC1 ZINC000162269711 375306548 /nfs/dbraw/zinc/30/65/48/375306548.db2.gz SQLRRPOJVCFTHD-UHFFFAOYSA-N 0 0 280.280 1.005 20 5 CDBDRN Cn1nncc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000351748535 375326880 /nfs/dbraw/zinc/32/68/80/375326880.db2.gz IOKLVEGZBVVIMR-UHFFFAOYSA-N 0 0 269.648 1.351 20 5 CDBDRN COC(=O)N(C)c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000056450392 375313774 /nfs/dbraw/zinc/31/37/74/375313774.db2.gz DEQVHEXPAUTKJI-GHMZBOCLSA-N 0 0 293.279 1.493 20 5 CDBDRN Cc1ccc(OCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000131690384 375315173 /nfs/dbraw/zinc/31/51/73/375315173.db2.gz HUQHLHIFOKBUQU-UHFFFAOYSA-N 0 0 273.310 1.717 20 5 CDBDRN C[C@@H](C(=O)NC1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131469511 375269649 /nfs/dbraw/zinc/26/96/49/375269649.db2.gz QTXYYYXTLWGPDX-JTQLQIEISA-N 0 0 289.335 1.620 20 5 CDBDRN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000131991530 375391807 /nfs/dbraw/zinc/39/18/07/375391807.db2.gz HPDILSLIPUMPIK-QMMMGPOBSA-N 0 0 292.270 1.958 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H](O)C1 ZINC000352150556 375357120 /nfs/dbraw/zinc/35/71/20/375357120.db2.gz UFXHIZFDDZBGFZ-PWSUYJOCSA-N 0 0 278.308 1.762 20 5 CDBDRN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc[nH]n1 ZINC000226520771 375358350 /nfs/dbraw/zinc/35/83/50/375358350.db2.gz JJBCCFNQDIJJGW-LURJTMIESA-N 0 0 295.686 1.857 20 5 CDBDRN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000226600821 375372536 /nfs/dbraw/zinc/37/25/36/375372536.db2.gz DBINWDQHZRSVKJ-LURJTMIESA-N 0 0 267.260 1.844 20 5 CDBDRN CC[C@H]1CCC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000162558109 375378322 /nfs/dbraw/zinc/37/83/22/375378322.db2.gz DZLSMUGSMSBEOA-VHSXEESVSA-N 0 0 266.301 1.486 20 5 CDBDRN CCC[C@@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000132142356 375405109 /nfs/dbraw/zinc/40/51/09/375405109.db2.gz XFIHNSRWWYYIRN-GFCCVEGCSA-N 0 0 280.324 1.723 20 5 CDBDRN COCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000049236801 375421117 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[NH3+]CCON=c1[n-]c(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001156291892 927930565 /nfs/dbraw/zinc/93/05/65/927930565.db2.gz SASXIQFWEUPGFZ-UHFFFAOYSA-N 0 0 267.072 1.599 20 5 CDBDRN O=[N+]([O-])c1cc(NC[C@H](O)C(F)(F)F)cnc1F ZINC001169459902 928083773 /nfs/dbraw/zinc/08/37/73/928083773.db2.gz YAUQFCFBUUFPAR-LURJTMIESA-N 0 0 269.154 1.464 20 5 CDBDRN COc1ccc(CNc2cc([N+](=O)[O-])cnc2OC)nn1 ZINC001169467791 928099814 /nfs/dbraw/zinc/09/98/14/928099814.db2.gz OWOGVZUSAXRARI-UHFFFAOYSA-N 0 0 291.267 1.409 20 5 CDBDRN CCCCC(=O)[C@H](C)Nc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001169548397 928163869 /nfs/dbraw/zinc/16/38/69/928163869.db2.gz YUXXMZCWVOUMNG-VIFPVBQESA-N 0 0 267.285 1.788 20 5 CDBDRN CCCCC(=O)[C@H](C)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001169546646 928201391 /nfs/dbraw/zinc/20/13/91/928201391.db2.gz COUBWVJPNJIOAF-VIFPVBQESA-N 0 0 281.312 1.853 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCc3ccccc3[C@@H]2O)nc1 ZINC001169613516 928263326 /nfs/dbraw/zinc/26/33/26/928263326.db2.gz MDXWYWWHVJDGIT-OLZOCXBDSA-N 0 0 286.291 1.845 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCc3ccccc3[C@H]2O)cn1 ZINC001169619595 928272842 /nfs/dbraw/zinc/27/28/42/928272842.db2.gz JDCMQSSSRCZLJV-BXUZGUMPSA-N 0 0 286.291 1.845 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCc2cncs2)nc1 ZINC001169861512 928485240 /nfs/dbraw/zinc/48/52/40/928485240.db2.gz VLPVOXVMNHIJBG-UHFFFAOYSA-N 0 0 251.271 1.496 20 5 CDBDRN COc1cnc(NC(C)(C)CCO)c([N+](=O)[O-])c1 ZINC001156909916 929059969 /nfs/dbraw/zinc/05/99/69/929059969.db2.gz HIBBGEOMKHVRQX-UHFFFAOYSA-N 0 0 255.274 1.571 20 5 CDBDRN O=C(C[C@H]1COc2ccccc2O1)OCCC[N+](=O)[O-] ZINC000860919257 929218094 /nfs/dbraw/zinc/21/80/94/929218094.db2.gz MHVKLHFITSJLHM-JTQLQIEISA-N 0 0 281.264 1.427 20 5 CDBDRN CC[C@H](C[C@H](C)O)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC001152321588 937353457 /nfs/dbraw/zinc/35/34/57/937353457.db2.gz TUKGEEJUMJBSJO-WCBMZHEXSA-N 0 0 281.312 1.578 20 5 CDBDRN CC[C@H](C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000881435713 929845189 /nfs/dbraw/zinc/84/51/89/929845189.db2.gz KMKIYVJCEMKAFU-PWSUYJOCSA-N 0 0 280.324 1.926 20 5 CDBDRN CC(C)C(=O)N(C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000882096153 929943503 /nfs/dbraw/zinc/94/35/03/929943503.db2.gz AHKLVCVSWUKVMW-UHFFFAOYSA-N 0 0 293.279 1.575 20 5 CDBDRN C[C@@H]1CCNC(=O)[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000799328080 937385286 /nfs/dbraw/zinc/38/52/86/937385286.db2.gz KXLRAOWBZABVHO-PSASIEDQSA-N 0 0 289.295 1.179 20 5 CDBDRN O=C1[C@@H]2CC[C@@H]2C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000883062865 930136989 /nfs/dbraw/zinc/13/69/89/930136989.db2.gz UWTYNQODVIPGFG-PHIMTYICSA-N 0 0 260.249 1.490 20 5 CDBDRN Cc1c[n+]([O-])c(N[C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC001170821015 930253895 /nfs/dbraw/zinc/25/38/95/930253895.db2.gz QQSBDPNXZKIFDX-UWVGGRQHSA-N 0 0 267.285 1.374 20 5 CDBDRN CC[C@@](N)(CO)Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170857075 930460361 /nfs/dbraw/zinc/46/03/61/930460361.db2.gz HTECXSBCHMTFTN-LBPRGKRZSA-N 0 0 277.284 1.007 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCN(C)C1=O ZINC001116075282 937429924 /nfs/dbraw/zinc/42/99/24/937429924.db2.gz FFSYDGYUHISPGA-LLVKDONJSA-N 0 0 293.279 1.024 20 5 CDBDRN Cc1nonc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001116242649 937438192 /nfs/dbraw/zinc/43/81/92/937438192.db2.gz XSBGQMYYVRNWOR-UHFFFAOYSA-N 0 0 288.263 1.485 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCCn3nncc3C2)cc1F ZINC000886463122 930884432 /nfs/dbraw/zinc/88/44/32/930884432.db2.gz QCXWUTFKVKKFIS-UHFFFAOYSA-N 0 0 291.286 1.731 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC[C@H](C)Cn1cccn1 ZINC001116729647 937467834 /nfs/dbraw/zinc/46/78/34/937467834.db2.gz ZHZLCARXIAUGKM-JTQLQIEISA-N 0 0 275.312 1.665 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)OC(C)C ZINC001116760908 937470302 /nfs/dbraw/zinc/47/03/02/937470302.db2.gz PQXDLSYTEUTWDD-UHFFFAOYSA-N 0 0 297.263 1.712 20 5 CDBDRN COc1ccc(NC(=O)CN2CCCC2)cc1[N+](=O)[O-] ZINC000821823138 931098884 /nfs/dbraw/zinc/09/88/84/931098884.db2.gz FXWVTWGGUWVFKY-UHFFFAOYSA-N 0 0 279.296 1.638 20 5 CDBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]1(F)CCOC1 ZINC001117469096 937526541 /nfs/dbraw/zinc/52/65/41/937526541.db2.gz ISUZRJPTKJAMNM-CYBMUJFWSA-N 0 0 282.271 1.382 20 5 CDBDRN CC(=O)NC[C@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC001160653877 931917432 /nfs/dbraw/zinc/91/74/32/931917432.db2.gz TVYLABBLIKOVNL-QMMMGPOBSA-N 0 0 266.301 1.482 20 5 CDBDRN CO[C@@H]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001117805377 937555934 /nfs/dbraw/zinc/55/59/34/937555934.db2.gz VVHNHYDDEFXTHS-NXEZZACHSA-N 0 0 258.318 1.506 20 5 CDBDRN COCC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091307119 932088283 /nfs/dbraw/zinc/08/82/83/932088283.db2.gz QDNFZKXDUGMXNF-PHIMTYICSA-N 0 0 293.323 1.548 20 5 CDBDRN CCOC(=O)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160890470 932214266 /nfs/dbraw/zinc/21/42/66/932214266.db2.gz SLUDZXVECOBZNX-ZETCQYMHSA-N 0 0 298.255 1.509 20 5 CDBDRN Cc1ccnc(CNc2ncc([N+](=O)[O-])c(C)n2)n1 ZINC001154826714 937592371 /nfs/dbraw/zinc/59/23/71/937592371.db2.gz KKTDFJVMUYGCNX-UHFFFAOYSA-N 0 0 260.257 1.404 20 5 CDBDRN COC(=O)[C@H]1C[C@@H]1CNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001161038510 932495623 /nfs/dbraw/zinc/49/56/23/932495623.db2.gz XKEMSFCAVGQKIJ-RQJHMYQMSA-N 0 0 285.687 1.864 20 5 CDBDRN COC(=O)[C@@H]1C[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001161040657 932517573 /nfs/dbraw/zinc/51/75/73/932517573.db2.gz IIYUDDKBZIYOSC-VHSXEESVSA-N 0 0 279.296 1.828 20 5 CDBDRN COCC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095458055 932518586 /nfs/dbraw/zinc/51/85/86/932518586.db2.gz GVMWNQSGKWGCHK-UHFFFAOYSA-N 0 0 295.339 1.492 20 5 CDBDRN Cc1nc(N(C[C@H](C)O)C2CC2)ncc1[N+](=O)[O-] ZINC001118336856 937618216 /nfs/dbraw/zinc/61/82/16/937618216.db2.gz UEYZJTWOYQIQIU-ZETCQYMHSA-N 0 0 252.274 1.043 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-n2ccnc2)nc1 ZINC001155037220 937624879 /nfs/dbraw/zinc/62/48/79/937624879.db2.gz AFBKQCSGDCHFJS-UHFFFAOYSA-N 0 0 299.250 1.151 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cnn(CC2CC2)c1 ZINC001155043591 937625927 /nfs/dbraw/zinc/62/59/27/937625927.db2.gz MZOFDFJJYOXCKV-UHFFFAOYSA-N 0 0 276.256 1.177 20 5 CDBDRN NC(=O)C1(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001155094111 937633768 /nfs/dbraw/zinc/63/37/68/937633768.db2.gz SIWIKFWDZIFYCV-UHFFFAOYSA-N 0 0 299.290 1.482 20 5 CDBDRN COc1cnc(NCCC(=O)N(C)C2CC2)c([N+](=O)[O-])c1 ZINC001155150136 937642142 /nfs/dbraw/zinc/64/21/42/937642142.db2.gz BFUZFUUHBZVBPP-UHFFFAOYSA-N 0 0 294.311 1.421 20 5 CDBDRN COc1nc(N2CCC[C@@H](C)C2)nc(OC)c1[N+](=O)[O-] ZINC001155208000 937649140 /nfs/dbraw/zinc/64/91/40/937649140.db2.gz IEXFUDGGTNUUTK-MRVPVSSYSA-N 0 0 282.300 1.638 20 5 CDBDRN COc1cccc(CCNc2nc(C)ncc2[N+](=O)[O-])n1 ZINC001155237305 937652696 /nfs/dbraw/zinc/65/26/96/937652696.db2.gz KWFIQDQHNMAGHV-UHFFFAOYSA-N 0 0 289.295 1.751 20 5 CDBDRN Cc1c(C)c([N+](=O)[O-])cnc1Nc1c[nH]c(=O)nc1N ZINC001155262623 937654803 /nfs/dbraw/zinc/65/48/03/937654803.db2.gz CHIZCLZVJOKBSC-UHFFFAOYSA-N 0 0 276.256 1.428 20 5 CDBDRN CCOC[C@H]1CN(c2c(C)cncc2[N+](=O)[O-])CCO1 ZINC001118810057 937668930 /nfs/dbraw/zinc/66/89/30/937668930.db2.gz NOEFOVUZDVKTEU-LLVKDONJSA-N 0 0 281.312 1.540 20 5 CDBDRN COC(=O)[C@@H](Nc1nc(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC001155736852 937670046 /nfs/dbraw/zinc/67/00/46/937670046.db2.gz IWTFVFBHFJMNAA-SECBINFHSA-N 0 0 282.300 1.693 20 5 CDBDRN COC1C[C@H]2CC[C@@H](C1)N2c1nc(C)ncc1[N+](=O)[O-] ZINC001155804003 937675841 /nfs/dbraw/zinc/67/58/41/937675841.db2.gz SZXMWTOVLORSHB-ZACCUICWSA-N 0 0 278.312 1.839 20 5 CDBDRN COC1C[C@H]2CC[C@@H](C1)N2c1cc(N)c([N+](=O)[O-])cn1 ZINC001155803916 937675871 /nfs/dbraw/zinc/67/58/71/937675871.db2.gz PHBKIURVJXCFBD-ULKQDVFKSA-N 0 0 278.312 1.718 20 5 CDBDRN CCc1nn(C)c(NCC(=O)NCC(C)C)c1[N+](=O)[O-] ZINC000135647065 937683669 /nfs/dbraw/zinc/68/36/69/937683669.db2.gz MSIKKAPNTZQBHK-UHFFFAOYSA-N 0 0 283.332 1.075 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCOC2)c1C ZINC001119386816 937715791 /nfs/dbraw/zinc/71/57/91/937715791.db2.gz UIMKJSPIDBZTPR-NSHDSACASA-N 0 0 278.308 1.978 20 5 CDBDRN COCC(COC)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119680825 937746722 /nfs/dbraw/zinc/74/67/22/937746722.db2.gz ODNXEBFBUQGECC-UHFFFAOYSA-N 0 0 266.297 1.572 20 5 CDBDRN Cc1nc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)n[nH]1 ZINC001212858183 934239782 /nfs/dbraw/zinc/23/97/82/934239782.db2.gz GCAGDVPJULBUTQ-UHFFFAOYSA-N 0 0 291.202 1.272 20 5 CDBDRN CCOC(=O)[C@@H](NCc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC001327563277 934684496 /nfs/dbraw/zinc/68/44/96/934684496.db2.gz MEQMBQVKOJKHTD-JTQLQIEISA-N 0 0 283.284 1.323 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[C@H](C)O ZINC000795468921 934844324 /nfs/dbraw/zinc/84/43/24/934844324.db2.gz PZUGMIMRDWPOMA-VIFPVBQESA-N 0 0 285.300 1.194 20 5 CDBDRN CC1(C)C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC001120621620 937818417 /nfs/dbraw/zinc/81/84/17/937818417.db2.gz DZALBSASDWBLII-SNVBAGLBSA-N 0 0 296.327 1.113 20 5 CDBDRN Cc1cc(C(=O)OCCc2ncnn2C)cc([N+](=O)[O-])c1 ZINC001122869559 936075799 /nfs/dbraw/zinc/07/57/99/936075799.db2.gz XQOKSYRHZOODDF-UHFFFAOYSA-N 0 0 290.279 1.431 20 5 CDBDRN CCCC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097142788 936270920 /nfs/dbraw/zinc/27/09/20/936270920.db2.gz DUOSBVDAOASLKZ-AOOOYVTPSA-N 0 0 278.312 1.849 20 5 CDBDRN O=C(CCCF)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097242140 936284478 /nfs/dbraw/zinc/28/44/78/936284478.db2.gz OYWATXIRAYWJHL-AOOOYVTPSA-N 0 0 296.302 1.799 20 5 CDBDRN CO[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001120856716 937842229 /nfs/dbraw/zinc/84/22/29/937842229.db2.gz WSNICCIISFQJKP-GZMMTYOYSA-N 0 0 266.301 1.433 20 5 CDBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCOC2=O)C1 ZINC001120855955 937842370 /nfs/dbraw/zinc/84/23/70/937842370.db2.gz ZEPQTNMQVBTRIJ-AWEZNQCLSA-N 0 0 290.275 1.374 20 5 CDBDRN C[C@H]1CCc2nc(NC(=O)[C@@H]3CC3[N+](=O)[O-])ncc2C1 ZINC001121264223 937864467 /nfs/dbraw/zinc/86/44/67/937864467.db2.gz DUEPHJQXJKEKFB-JVUFJMBOSA-N 0 0 276.296 1.205 20 5 CDBDRN CN(c1nnc(C[N+](=O)[O-])n1C)C1CC(C)(C)C1 ZINC001121391148 937869652 /nfs/dbraw/zinc/86/96/52/937869652.db2.gz DMYLUZHGPQLMMA-UHFFFAOYSA-N 0 0 253.306 1.217 20 5 CDBDRN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](OC(C)C)C1 ZINC001121793479 937882705 /nfs/dbraw/zinc/88/27/05/937882705.db2.gz HGCPVQPQESUECA-GHMZBOCLSA-N 0 0 297.359 1.639 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N(C)Cc1cscn1 ZINC001121791026 937882809 /nfs/dbraw/zinc/88/28/09/937882809.db2.gz CACHIHYIZDRIKK-UHFFFAOYSA-N 0 0 282.329 1.168 20 5 CDBDRN C[C@H]1COC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001156323030 938351833 /nfs/dbraw/zinc/35/18/33/938351833.db2.gz BWDJOCDJEODNNZ-WKEGUHRASA-N 0 0 283.259 1.081 20 5 CDBDRN CCc1n[nH]c(C(=O)NC[C@]23C[C@H]2CCC3)c1[N+](=O)[O-] ZINC001156402931 938362948 /nfs/dbraw/zinc/36/29/48/938362948.db2.gz ZOWAMWQKWWWSFW-OQPBUACISA-N 0 0 278.312 1.800 20 5 CDBDRN COCC(C)(C)Nc1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001156462499 938370211 /nfs/dbraw/zinc/37/02/11/938370211.db2.gz GIAZTLFCQFUYGX-UHFFFAOYSA-N 0 0 297.315 1.489 20 5 CDBDRN Cc1c2cc[nH]c2ncc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001156550461 938383450 /nfs/dbraw/zinc/38/34/50/938383450.db2.gz ZSCDUXTXGJUBTN-UHFFFAOYSA-N 0 0 286.251 1.707 20 5 CDBDRN CC(C)[C@](C)(Nc1cc(Cl)ncc1[N+](=O)[O-])C(N)=O ZINC001156642901 938399555 /nfs/dbraw/zinc/39/95/55/938399555.db2.gz DCTQGKBVICCLBJ-NSHDSACASA-N 0 0 286.719 1.955 20 5 CDBDRN Cc1cc(Cl)c([N+](=O)[O-])c(NCC(C)(C)C(N)=O)n1 ZINC001156737962 938412848 /nfs/dbraw/zinc/41/28/48/938412848.db2.gz ZJNYMETXQKDMRD-UHFFFAOYSA-N 0 0 286.719 1.875 20 5 CDBDRN COc1nc(C)c([N+](=O)[O-])c(NCc2ccnc(N)c2)n1 ZINC001156756795 938414633 /nfs/dbraw/zinc/41/46/33/938414633.db2.gz HADVAZFXSSQHMK-UHFFFAOYSA-N 0 0 290.283 1.291 20 5 CDBDRN CNc1ccc(C(=O)N[C@H]2CC23CC(O)C3)cc1[N+](=O)[O-] ZINC001156957056 938438883 /nfs/dbraw/zinc/43/88/83/938438883.db2.gz UIRGIRDJBNHHKA-PEUVISTOSA-N 0 0 291.307 1.280 20 5 CDBDRN COC(=O)c1cnc(NC2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC001157004534 938445431 /nfs/dbraw/zinc/44/54/31/938445431.db2.gz 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/nfs/dbraw/zinc/59/44/96/364594496.db2.gz UWRYLFTXYZTSPT-QPJJXVBHSA-N 0 0 294.307 1.075 20 5 CDBDRN CCOC(=O)CN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000042694088 364610182 /nfs/dbraw/zinc/61/01/82/364610182.db2.gz VHMDVDIVRKRVLI-UHFFFAOYSA-N 0 0 280.280 1.159 20 5 CDBDRN CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000042714121 364614339 /nfs/dbraw/zinc/61/43/39/364614339.db2.gz AECHVGIMNFDWTA-UHFFFAOYSA-N 0 0 281.268 1.091 20 5 CDBDRN O=c1c([N+](=O)[O-])cccn1CCCCCn1cccn1 ZINC000103719213 364623601 /nfs/dbraw/zinc/62/36/01/364623601.db2.gz BXHXUVQBCFGBAD-UHFFFAOYSA-N 0 0 276.296 1.824 20 5 CDBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)N1CCCC1 ZINC000264230644 364646421 /nfs/dbraw/zinc/64/64/21/364646421.db2.gz YIMFMAMKTPJIJR-UHFFFAOYSA-N 0 0 285.325 1.025 20 5 CDBDRN CCCNC(=O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149109794 364695951 /nfs/dbraw/zinc/69/59/51/364695951.db2.gz UOGNNSFMKUTRGM-UHFFFAOYSA-N 0 0 299.714 1.504 20 5 CDBDRN CC[C@@H](O)[C@@H](CC)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000456692202 364767529 /nfs/dbraw/zinc/76/75/29/364767529.db2.gz FQRSPWKQQIAVBC-RKDXNWHRSA-N 0 0 298.343 1.721 20 5 CDBDRN CC[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H](O)CC ZINC000456748097 364772514 /nfs/dbraw/zinc/77/25/14/364772514.db2.gz YBESDRZZLTZLJM-KOLCDFICSA-N 0 0 281.312 1.456 20 5 CDBDRN CCc1nnc(SCc2ccc([N+](=O)[O-])cc2F)n1N ZINC000121462049 364825940 /nfs/dbraw/zinc/82/59/40/364825940.db2.gz LTBSVJPNQLMOKQ-UHFFFAOYSA-N 0 0 297.315 1.894 20 5 CDBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000412230878 240100651 /nfs/dbraw/zinc/10/06/51/240100651.db2.gz SMFWOFVIHFAAKC-GJQVQUKXSA-N 0 0 290.319 1.538 20 5 CDBDRN CCC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000412418262 240203750 /nfs/dbraw/zinc/20/37/50/240203750.db2.gz ORSDIDALSFINRR-UHFFFAOYSA-N 0 0 297.311 1.630 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CC(CF)C2)c1[N+](=O)[O-] ZINC000412522671 240257563 /nfs/dbraw/zinc/25/75/63/240257563.db2.gz VVFQLECZNCVKHC-UHFFFAOYSA-N 0 0 270.264 1.312 20 5 CDBDRN CCC[C@@H](O)[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000412529122 240262993 /nfs/dbraw/zinc/26/29/93/240262993.db2.gz VMUZIHMADQCWAN-DGCLKSJQSA-N 0 0 296.323 1.155 20 5 CDBDRN C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CS1 ZINC000412579100 240282798 /nfs/dbraw/zinc/28/27/98/240282798.db2.gz RURZNLYSPYQFSO-VHSXEESVSA-N 0 0 296.348 1.984 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCc3n[nH]c(=O)cc3C2)c1 ZINC000355738119 364981753 /nfs/dbraw/zinc/98/17/53/364981753.db2.gz HKDITVAVWYILTJ-UHFFFAOYSA-N 0 0 286.291 1.962 20 5 CDBDRN CO[C@](C)([C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000412593965 240288894 /nfs/dbraw/zinc/28/88/94/240288894.db2.gz MXHJBJQBXVVJMF-JVXZTZIISA-N 0 0 282.300 1.251 20 5 CDBDRN CO[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000279290988 294195940 /nfs/dbraw/zinc/19/59/40/294195940.db2.gz LBGXGGMQJNKJBR-LBPRGKRZSA-N 0 0 264.281 1.636 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1 ZINC000180508448 365011640 /nfs/dbraw/zinc/01/16/40/365011640.db2.gz IDZZVNFIJAAITP-UHFFFAOYSA-N 0 0 276.227 1.963 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC12CCCCC2 ZINC000181307220 365027152 /nfs/dbraw/zinc/02/71/52/365027152.db2.gz SRYYOXFYZHOTRC-SNVBAGLBSA-N 0 0 278.312 1.781 20 5 CDBDRN NC(=O)CSCCOc1cccc([N+](=O)[O-])c1 ZINC000413020769 240480645 /nfs/dbraw/zinc/48/06/45/240480645.db2.gz UDXRTZYFZHRKEN-UHFFFAOYSA-N 0 0 256.283 1.192 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(OCC(=O)NC(C)C)c1C ZINC000570295110 294213026 /nfs/dbraw/zinc/21/30/26/294213026.db2.gz ZSNXNYYJGVAGEB-UHFFFAOYSA-N 0 0 267.285 1.510 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000275487670 193056161 /nfs/dbraw/zinc/05/61/61/193056161.db2.gz GJMKNBAPUKVXOP-VIFPVBQESA-N 0 0 289.295 1.523 20 5 CDBDRN CC[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1O ZINC000270465087 366885569 /nfs/dbraw/zinc/88/55/69/366885569.db2.gz LXGGHKPIVBGCTG-LDYMZIIASA-N 0 0 254.261 1.941 20 5 CDBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)c1ncn(C)n1 ZINC000275800207 193130907 /nfs/dbraw/zinc/13/09/07/193130907.db2.gz KBQYZCYKWNCIFU-LURJTMIESA-N 0 0 280.263 1.618 20 5 CDBDRN CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275872203 193151779 /nfs/dbraw/zinc/15/17/79/193151779.db2.gz OREBSWSNBOVTDG-CYBMUJFWSA-N 0 0 292.335 1.757 20 5 CDBDRN CCC1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000270911853 366944742 /nfs/dbraw/zinc/94/47/42/366944742.db2.gz HKNSVWOUTZXVEK-UHFFFAOYSA-N 0 0 266.301 1.638 20 5 CDBDRN CC(C)(O)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270594449 366909373 /nfs/dbraw/zinc/90/93/73/366909373.db2.gz YRPVDDFGODXUKU-UHFFFAOYSA-N 0 0 281.312 1.207 20 5 CDBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000089767554 366928902 /nfs/dbraw/zinc/92/89/02/366928902.db2.gz NWIKETMOKFSCJK-UHFFFAOYSA-N 0 0 278.308 1.680 20 5 CDBDRN C[C@@H]1C[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC000413981590 241005170 /nfs/dbraw/zinc/00/51/70/241005170.db2.gz KCDYJFTYRKWZOV-UTLUCORTSA-N 0 0 293.323 1.720 20 5 CDBDRN CCc1ccc(OC[C@H](O)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000414144343 241086752 /nfs/dbraw/zinc/08/67/52/241086752.db2.gz JKWLTKVIGGNFQW-GFCCVEGCSA-N 0 0 291.307 1.794 20 5 CDBDRN COc1ccc(CN=c2nc[nH]n2C(C)C)cc1[N+](=O)[O-] ZINC000414313825 241151555 /nfs/dbraw/zinc/15/15/55/241151555.db2.gz BWUUPOGGHKROAF-UHFFFAOYSA-N 0 0 291.311 1.810 20 5 CDBDRN CC(C)c1nnc([C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])[nH]1 ZINC000271008573 366953565 /nfs/dbraw/zinc/95/35/65/366953565.db2.gz YZCZRAKGGTZJBT-LURJTMIESA-N 0 0 293.287 1.050 20 5 CDBDRN CO[C@@H]1COC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000414395770 241182802 /nfs/dbraw/zinc/18/28/02/241182802.db2.gz DPHHAAKBAGIGFO-WDEREUQCSA-N 0 0 299.258 1.269 20 5 CDBDRN CNCc1noc(-c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000414500003 241235694 /nfs/dbraw/zinc/23/56/94/241235694.db2.gz KWZFTDBSXXBYBF-UHFFFAOYSA-N 0 0 294.267 1.381 20 5 CDBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000251879698 366978318 /nfs/dbraw/zinc/97/83/18/366978318.db2.gz PPNYFHWLMBCUSL-XKSSXDPKSA-N 0 0 266.253 1.485 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(F)(F)CN ZINC000414655352 241303096 /nfs/dbraw/zinc/30/30/96/241303096.db2.gz HCFLTEHIBQUNAL-UHFFFAOYSA-N 0 0 288.254 1.619 20 5 CDBDRN CC(C)C(=O)NCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000271126763 366971060 /nfs/dbraw/zinc/97/10/60/366971060.db2.gz UBQNPASCHCOLIS-UHFFFAOYSA-N 0 0 283.303 1.942 20 5 CDBDRN CC1(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000275005631 367042880 /nfs/dbraw/zinc/04/28/80/367042880.db2.gz OYCLAMDSWBRGGL-UHFFFAOYSA-N 0 0 265.269 1.758 20 5 CDBDRN CC[C@@H]1NC(=O)N([C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000272019402 367052466 /nfs/dbraw/zinc/05/24/66/367052466.db2.gz BZVVNMWHGUPFFP-KWQFWETISA-N 0 0 277.280 1.986 20 5 CDBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCCCO1 ZINC000272030056 367056796 /nfs/dbraw/zinc/05/67/96/367056796.db2.gz DLPIAYOIMRNSJD-SKDRFNHKSA-N 0 0 293.323 1.864 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC=C(F)C1 ZINC000272070706 367073248 /nfs/dbraw/zinc/07/32/48/367073248.db2.gz BZVKZEJMSOIMAG-UHFFFAOYSA-N 0 0 282.275 1.576 20 5 CDBDRN CC[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122474543 367026080 /nfs/dbraw/zinc/02/60/80/367026080.db2.gz ALDHSLMTRAIJAK-NSHDSACASA-N 0 0 262.269 1.624 20 5 CDBDRN O=C(NOC1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000272127082 367127441 /nfs/dbraw/zinc/12/74/41/367127441.db2.gz RLASDHHEAOYYLV-UHFFFAOYSA-N 0 0 266.253 1.904 20 5 CDBDRN C[C@H](N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000297337664 367110180 /nfs/dbraw/zinc/11/01/80/367110180.db2.gz XFSYSGJJYWSZMT-JTQLQIEISA-N 0 0 280.324 1.755 20 5 CDBDRN COC(=O)c1cnc(NCC2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000302669858 201504175 /nfs/dbraw/zinc/50/41/75/201504175.db2.gz DGOCAQMWXFDHOR-UHFFFAOYSA-N 0 0 295.295 1.351 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000348462449 367338909 /nfs/dbraw/zinc/33/89/09/367338909.db2.gz FQYOPULDXPEABM-ZJUUUORDSA-N 0 0 291.307 1.756 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccn1 ZINC000348504589 367431313 /nfs/dbraw/zinc/43/13/13/367431313.db2.gz FUPPCKJMQLWFTH-ZETCQYMHSA-N 0 0 261.241 1.204 20 5 CDBDRN CN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000348510444 367446450 /nfs/dbraw/zinc/44/64/50/367446450.db2.gz UOJRDJKRUKXLRO-UHFFFAOYSA-N 0 0 266.282 1.652 20 5 CDBDRN COc1cc(N2CCC(O)CC2)c(F)cc1[N+](=O)[O-] ZINC000230355080 367521766 /nfs/dbraw/zinc/52/17/66/367521766.db2.gz RSLKEFFGZPOXEZ-UHFFFAOYSA-N 0 0 270.260 1.704 20 5 CDBDRN C[C@H]1[C@@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000416959747 242244362 /nfs/dbraw/zinc/24/43/62/242244362.db2.gz QKCCYEOUURNWMS-OPRDCNLKSA-N 0 0 278.312 1.920 20 5 CDBDRN COC[C@H](O)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000161233493 367728303 /nfs/dbraw/zinc/72/83/03/367728303.db2.gz DYQJCLPJBSEPJX-GFCCVEGCSA-N 0 0 282.296 1.030 20 5 CDBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000387155891 367731364 /nfs/dbraw/zinc/73/13/64/367731364.db2.gz QEDXKMXKCNPOTL-LDYMZIIASA-N 0 0 252.270 1.484 20 5 CDBDRN C[C@@]12CCCN1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000348779479 367811747 /nfs/dbraw/zinc/81/17/47/367811747.db2.gz JHNRJQVREKYSIR-AWEZNQCLSA-N 0 0 289.291 1.912 20 5 CDBDRN CCCCN(CCO)c1ncc(C)cc1[N+](=O)[O-] ZINC000090692768 367776996 /nfs/dbraw/zinc/77/69/96/367776996.db2.gz HYVHHFRZBWAQDO-UHFFFAOYSA-N 0 0 253.302 1.897 20 5 CDBDRN Cc1cnc(N[C@H](C)CS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000090692435 367777603 /nfs/dbraw/zinc/77/76/03/367777603.db2.gz SKUBUYBKANNQGA-MRVPVSSYSA-N 0 0 273.314 1.143 20 5 CDBDRN CS(=O)(=O)c1cccc(N2CCCCN2)c1[N+](=O)[O-] ZINC000400401679 367791276 /nfs/dbraw/zinc/79/12/76/367791276.db2.gz GOVLPCLPVNYPGK-UHFFFAOYSA-N 0 0 285.325 1.103 20 5 CDBDRN C[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCO1 ZINC000272720631 367805887 /nfs/dbraw/zinc/80/58/87/367805887.db2.gz MVEMBIMDCWPDEL-BDAKNGLRSA-N 0 0 280.284 1.679 20 5 CDBDRN CC(=O)C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272712910 367809105 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274827053 /nfs/dbraw/zinc/82/70/53/274827053.db2.gz NHTZSURGCUAUGC-SNVBAGLBSA-N 0 0 273.296 1.922 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N2C[C@H](O)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000412768705 276041376 /nfs/dbraw/zinc/04/13/76/276041376.db2.gz HGTNZGGCFBZTCG-DTWKUNHWSA-N 0 0 296.327 1.284 20 5 CDBDRN CC(C)(C)N1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC1=O ZINC000267720412 277158631 /nfs/dbraw/zinc/15/86/31/277158631.db2.gz UUPSAPUGDFKDCK-VIFPVBQESA-N 0 0 278.312 1.801 20 5 CDBDRN CNc1nc(C(=O)N[C@H]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000456054205 277304400 /nfs/dbraw/zinc/30/44/00/277304400.db2.gz RKBRIRRAWIKGHD-JTQLQIEISA-N 0 0 278.312 1.950 20 5 CDBDRN COc1cc(C(=O)N2C[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000351863594 277369286 /nfs/dbraw/zinc/36/92/86/277369286.db2.gz QPGARCHQWUXPMJ-KCJUWKMLSA-N 0 0 280.280 1.056 20 5 CDBDRN COc1cc(N2CC[C@H](C)[S@@](=O)CC2)ccc1[N+](=O)[O-] ZINC000276977230 277382312 /nfs/dbraw/zinc/38/23/12/277382312.db2.gz FDTRYWLHKNFRFE-FVINQWEUSA-N 0 0 298.364 1.951 20 5 CDBDRN COC1CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342115972 277479234 /nfs/dbraw/zinc/47/92/34/277479234.db2.gz BAXHNXABBNTSFU-UHFFFAOYSA-N 0 0 266.282 1.435 20 5 CDBDRN COc1ccc2c(ncnc2-n2ccc([N+](=O)[O-])n2)c1F ZINC000337201613 277998429 /nfs/dbraw/zinc/99/84/29/277998429.db2.gz GBKDBCNSXXLNDJ-UHFFFAOYSA-N 0 0 289.226 1.871 20 5 CDBDRN CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1O ZINC000408450493 278347282 /nfs/dbraw/zinc/34/72/82/278347282.db2.gz HMELFOPZBLZZHE-NSHDSACASA-N 0 0 288.307 1.745 20 5 CDBDRN C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287159013 278404752 /nfs/dbraw/zinc/40/47/52/278404752.db2.gz GLRUFPADSDCSEI-NXEZZACHSA-N 0 0 296.327 1.474 20 5 CDBDRN C[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000186433005 278569297 /nfs/dbraw/zinc/56/92/97/278569297.db2.gz YMDPWVDTLFOPNR-LBPRGKRZSA-N 0 0 284.699 1.845 20 5 CDBDRN Cc1nc(N2CCNC(=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000370531800 279091521 /nfs/dbraw/zinc/09/15/21/279091521.db2.gz 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ZINC000159370633 279874078 /nfs/dbraw/zinc/87/40/78/279874078.db2.gz WMTUETPYMLXPQS-SSDOTTSWSA-N 0 0 258.299 1.547 20 5 CDBDRN CCO[C@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000353271832 279908973 /nfs/dbraw/zinc/90/89/73/279908973.db2.gz ZGUSGDLIVFBPDN-QWRGUYRKSA-N 0 0 267.285 1.596 20 5 CDBDRN COC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000193619229 280005045 /nfs/dbraw/zinc/00/50/45/280005045.db2.gz WCHNUHODOSFTSB-MRVPVSSYSA-N 0 0 267.285 1.405 20 5 CDBDRN Cc1nn(C)c(C(=O)NCCc2ccccc2)c1[N+](=O)[O-] ZINC000193877657 280014917 /nfs/dbraw/zinc/01/49/17/280014917.db2.gz CZPBSLWJFPDPHB-UHFFFAOYSA-N 0 0 288.307 1.609 20 5 CDBDRN CCS(=O)(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000358600370 280016150 /nfs/dbraw/zinc/01/61/50/280016150.db2.gz OWTMIJRYVWZLLB-UHFFFAOYSA-N 0 0 270.310 1.615 20 5 CDBDRN CNC(=O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000194104049 280023737 /nfs/dbraw/zinc/02/37/37/280023737.db2.gz BMPCYPUZMXUCOY-UHFFFAOYSA-N 0 0 275.268 1.281 20 5 CDBDRN C[C@H](NC(=O)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000194817031 280057482 /nfs/dbraw/zinc/05/74/82/280057482.db2.gz RTNSZZVOIIYDBK-JTQLQIEISA-N 0 0 288.307 1.748 20 5 CDBDRN O=C([C@@H]1CCC(=O)NC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332055680 280079970 /nfs/dbraw/zinc/07/99/70/280079970.db2.gz ZIYCVSULOZAFQD-SNVBAGLBSA-N 0 0 289.291 1.010 20 5 CDBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@@H]1O ZINC000220385504 280092915 /nfs/dbraw/zinc/09/29/15/280092915.db2.gz ZLBQXXLQGCPZFW-WXRQEABKSA-N 0 0 290.319 1.885 20 5 CDBDRN CNc1ccc(C(=O)N[C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000221705215 280093631 /nfs/dbraw/zinc/09/36/31/280093631.db2.gz JZZRZWVLOLWKKV-AWEZNQCLSA-N 0 0 293.323 1.935 20 5 CDBDRN C[C@H](C[C@H](C)O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000228174928 280108315 /nfs/dbraw/zinc/10/83/15/280108315.db2.gz RDJXBXRTRPAMDD-SFEFJYQLSA-N 0 0 278.308 1.884 20 5 CDBDRN Cn1cc(CNc2cc(F)cc([N+](=O)[O-])c2)nn1 ZINC000229548103 280111533 /nfs/dbraw/zinc/11/15/33/280111533.db2.gz 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O=[N+]([O-])c1cccc(F)c1NCC1(CO)CCOCC1 ZINC000286393399 356279132 /nfs/dbraw/zinc/27/91/32/356279132.db2.gz ZBMWEYAWIQBINI-UHFFFAOYSA-N 0 0 284.287 1.935 20 5 CDBDRN Cc1nnc([C@H](C)Nc2nccc(C)c2[N+](=O)[O-])[nH]1 ZINC000286263515 356238475 /nfs/dbraw/zinc/23/84/75/356238475.db2.gz FEGGCMWBSRTNHV-ZETCQYMHSA-N 0 0 262.273 1.898 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCC[C@@](F)(CO)C2)cc1 ZINC000286289901 356243891 /nfs/dbraw/zinc/24/38/91/356243891.db2.gz FNMPQLGYZKIVRP-LBPRGKRZSA-N 0 0 254.261 1.896 20 5 CDBDRN C[C@@H]1C[C@H](O)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401482872 356245837 /nfs/dbraw/zinc/24/58/37/356245837.db2.gz AXNUMLUZQLTIFM-MFKMUULPSA-N 0 0 278.308 1.367 20 5 CDBDRN COC(=O)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000336831316 356290788 /nfs/dbraw/zinc/29/07/88/356290788.db2.gz PVFQEXHSFVVNLS-SECBINFHSA-N 0 0 280.280 1.585 20 5 CDBDRN Cc1c(C(=O)N2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000336843367 356293971 /nfs/dbraw/zinc/29/39/71/356293971.db2.gz 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20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000360370599 357096808 /nfs/dbraw/zinc/09/68/08/357096808.db2.gz CSMPTVXYISBELE-RNFRBKRXSA-N 0 0 270.264 1.501 20 5 CDBDRN CCCNC(=O)COc1cccc([N+](=O)[O-])c1C ZINC000047355646 357155532 /nfs/dbraw/zinc/15/55/32/357155532.db2.gz JSWDRGRRBANSHR-UHFFFAOYSA-N 0 0 252.270 1.808 20 5 CDBDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048603304 357192903 /nfs/dbraw/zinc/19/29/03/357192903.db2.gz OCLBQDIAEYBYLB-UWVGGRQHSA-N 0 0 281.316 1.223 20 5 CDBDRN CC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000048976753 357202716 /nfs/dbraw/zinc/20/27/16/357202716.db2.gz GBRTZDUDGPQYHD-UHFFFAOYSA-N 0 0 278.312 1.342 20 5 CDBDRN CN(CCC(N)=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000286558082 357205749 /nfs/dbraw/zinc/20/57/49/357205749.db2.gz PIAKUACCLMKVOD-UHFFFAOYSA-N 0 0 291.229 1.925 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1OC[C@H](O)CSC ZINC000187935332 357218435 /nfs/dbraw/zinc/21/84/35/357218435.db2.gz 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CC[S@@](=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283740261 357595556 /nfs/dbraw/zinc/59/55/56/357595556.db2.gz DJIXKQFUPZZJMD-GOSISDBHSA-N 0 0 270.310 1.692 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCCO1 ZINC000283758519 357600642 /nfs/dbraw/zinc/60/06/42/357600642.db2.gz MJWWLEKLBWOVDT-UHFFFAOYSA-N 0 0 295.295 1.840 20 5 CDBDRN CC[C@@H](CO)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000294165101 198934196 /nfs/dbraw/zinc/93/41/96/198934196.db2.gz QZSFNEJUAULVTD-ZETCQYMHSA-N 0 0 270.314 1.511 20 5 CDBDRN C/C=C/C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000187078179 357724724 /nfs/dbraw/zinc/72/47/24/357724724.db2.gz FRQHXSVWEJSNSW-PGLGOXFNSA-N 0 0 278.308 1.960 20 5 CDBDRN Cc1cc(OCC(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000186732738 357679873 /nfs/dbraw/zinc/67/98/73/357679873.db2.gz OZYSUSVSEGKEBX-UHFFFAOYSA-N 0 0 256.233 1.509 20 5 CDBDRN CC(=O)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186751672 357683744 /nfs/dbraw/zinc/68/37/44/357683744.db2.gz PGNZFDSPJJUXKT-VIFPVBQESA-N 0 0 298.320 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CN(C)c1ncnc2c1ncn2Cc1cccc([N+](=O)[O-])c1 ZINC000025974468 360336869 /nfs/dbraw/zinc/33/68/69/360336869.db2.gz AJDZQGCEBWJRBZ-UHFFFAOYSA-N 0 0 298.306 1.849 20 5 CDBDRN CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000298575499 200472948 /nfs/dbraw/zinc/47/29/48/200472948.db2.gz JGFXIGSPYOULDY-UHFFFAOYSA-N 0 0 297.698 1.808 20 5 CDBDRN COC[C@H](C)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270350130 360439369 /nfs/dbraw/zinc/43/93/69/360439369.db2.gz NYKVKZDTNFBGLP-LLVKDONJSA-N 0 0 295.339 1.719 20 5 CDBDRN CC1(O)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000177745658 189066595 /nfs/dbraw/zinc/06/65/95/189066595.db2.gz COTDPPPVFJQVGZ-UHFFFAOYSA-N 0 0 292.335 1.901 20 5 CDBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CO)C1 ZINC000270408912 360490866 /nfs/dbraw/zinc/49/08/66/360490866.db2.gz XQSBNAAAZCBJDH-JTQLQIEISA-N 0 0 293.323 1.115 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@H](O)C2CCOCC2)c(F)c1 ZINC000514920866 360577414 /nfs/dbraw/zinc/57/74/14/360577414.db2.gz CQJOAACAVDKUEE-NSHDSACASA-N 0 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/nfs/dbraw/zinc/02/57/23/361025723.db2.gz MKVIKUVWIJNZIA-UHFFFAOYSA-N 0 0 282.321 1.108 20 5 CDBDRN CCCc1cnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)s1 ZINC000180261099 189247303 /nfs/dbraw/zinc/24/73/03/189247303.db2.gz ZCWBALAWNNJCHP-UHFFFAOYSA-N 0 0 295.324 1.839 20 5 CDBDRN CNc1nc(C(=O)N(C)CCCOC)ccc1[N+](=O)[O-] ZINC000455049989 252380211 /nfs/dbraw/zinc/38/02/11/252380211.db2.gz CNLLQRVEHHNQFR-UHFFFAOYSA-N 0 0 282.300 1.140 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCO1 ZINC000301082153 200910994 /nfs/dbraw/zinc/91/09/94/200910994.db2.gz KNQVXDARKZSMIE-SNVBAGLBSA-N 0 0 279.296 1.545 20 5 CDBDRN CC(C)N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000180661851 189268372 /nfs/dbraw/zinc/26/83/72/189268372.db2.gz UABDTSBVKNKUDL-CYBMUJFWSA-N 0 0 291.307 1.955 20 5 CDBDRN CNc1nc(C(=O)NCC(F)F)ccc1[N+](=O)[O-] ZINC000455801148 361218309 /nfs/dbraw/zinc/21/83/09/361218309.db2.gz CEKHYFWRBPAYSO-UHFFFAOYSA-N 0 0 260.200 1.026 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCCO1 ZINC000180910410 189283226 /nfs/dbraw/zinc/28/32/26/189283226.db2.gz JQOUMEMKUXZVHW-UHFFFAOYSA-N 0 0 266.253 1.528 20 5 CDBDRN C[C@H](O)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000168480540 361237393 /nfs/dbraw/zinc/23/73/93/361237393.db2.gz CNAYYXXJFXCJRZ-IUCAKERBSA-N 0 0 279.296 1.020 20 5 CDBDRN CCC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455835588 361242501 /nfs/dbraw/zinc/24/25/01/361242501.db2.gz CMANQHXBMQZCQO-ZDUSSCGKSA-N 0 0 296.327 1.312 20 5 CDBDRN COC(=O)c1cnc(NCCC[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276729434 366720616 /nfs/dbraw/zinc/72/06/16/366720616.db2.gz LFRNLVADRMRSFO-SECBINFHSA-N 0 0 297.311 1.597 20 5 CDBDRN C[C@@H](O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456136768 363773085 /nfs/dbraw/zinc/77/30/85/363773085.db2.gz IXLXITAXJPQBDC-ZYHUDNBSSA-N 0 0 278.308 1.682 20 5 CDBDRN COc1cc(C(=O)N[C@@H]2C[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000345730025 361445691 /nfs/dbraw/zinc/44/56/91/361445691.db2.gz AXDDEXBVDAMYPB-JGVFFNPUSA-N 0 0 286.234 1.987 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000050822650 361555418 /nfs/dbraw/zinc/55/54/18/361555418.db2.gz LOMBZRCRRHUBSW-YUMQZZPRSA-N 0 0 253.258 1.172 20 5 CDBDRN CC(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC000301823790 201218609 /nfs/dbraw/zinc/21/86/09/201218609.db2.gz LMTBKIVDBOLNPM-UHFFFAOYSA-N 0 0 266.301 1.564 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCC1 ZINC000270118461 239004816 /nfs/dbraw/zinc/00/48/16/239004816.db2.gz QPQGXLZVHQULGM-UHFFFAOYSA-N 0 0 250.254 1.514 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(OC(F)F)c1 ZINC000302030577 201308481 /nfs/dbraw/zinc/30/84/81/201308481.db2.gz BTYPBVLNFCCYIE-MRVPVSSYSA-N 0 0 274.223 1.767 20 5 CDBDRN Cc1n[nH]c(C(=O)NCC2(C(C)C)CC2)c1[N+](=O)[O-] ZINC000267758607 361698043 /nfs/dbraw/zinc/69/80/43/361698043.db2.gz DLCZOYPTBDXYIZ-UHFFFAOYSA-N 0 0 266.301 1.792 20 5 CDBDRN Nc1c(C(=O)N2CCn3nccc32)cc(F)cc1[N+](=O)[O-] ZINC000367497920 363916560 /nfs/dbraw/zinc/91/65/60/363916560.db2.gz OTNFRIQUFODSRY-UHFFFAOYSA-N 0 0 291.242 1.173 20 5 CDBDRN CO[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 ZINC000581462336 363993808 /nfs/dbraw/zinc/99/38/08/363993808.db2.gz QTRJPMHUSITDPM-ZDUSSCGKSA-N 0 0 281.312 1.478 20 5 CDBDRN C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])N1CC(C)C1 ZINC000581498399 364002187 /nfs/dbraw/zinc/00/21/87/364002187.db2.gz XIVWRRGEJGIKBB-LLVKDONJSA-N 0 0 289.335 1.824 20 5 CDBDRN CC(C)[C@H](CO)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000345840271 364031638 /nfs/dbraw/zinc/03/16/38/364031638.db2.gz QZPOTFBTZZZMQD-VIFPVBQESA-N 0 0 281.312 1.171 20 5 CDBDRN Cc1ccc(NC(=O)[C@H]2CC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000572659839 364047774 /nfs/dbraw/zinc/04/77/74/364047774.db2.gz QWIFZCCYKBQQPQ-ZJUUUORDSA-N 0 0 277.280 1.353 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)NOCC2CC2)c1[N+](=O)[O-] ZINC000293734201 364056963 /nfs/dbraw/zinc/05/69/63/364056963.db2.gz IAURYJCVXHIZGD-UHFFFAOYSA-N 0 0 268.273 1.513 20 5 CDBDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344567064 364116208 /nfs/dbraw/zinc/11/62/08/364116208.db2.gz JRXYUKLXMCDUEU-BDAKNGLRSA-N 0 0 297.311 1.251 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCCNC2=O)c1 ZINC000268051659 364129039 /nfs/dbraw/zinc/12/90/39/364129039.db2.gz TTYREWRXTMKYHK-JTQLQIEISA-N 0 0 263.297 1.984 20 5 CDBDRN COC[C@]1(C(=O)N(C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000410612902 239542461 /nfs/dbraw/zinc/54/24/61/239542461.db2.gz BLGQERPUFSPBPH-CQSZACIVSA-N 0 0 294.307 1.611 20 5 CDBDRN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295907828 370755837 /nfs/dbraw/zinc/75/58/37/370755837.db2.gz HLXPMNLNZCAWCD-UHFFFAOYSA-N 0 0 299.714 1.584 20 5 CDBDRN Cc1c(CC(=O)OCCCC(N)=O)cccc1[N+](=O)[O-] ZINC000170617297 364400933 /nfs/dbraw/zinc/40/09/33/364400933.db2.gz UUTHKYWMHIPYMW-UHFFFAOYSA-N 0 0 280.280 1.254 20 5 CDBDRN CCCOCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088231534 364544574 /nfs/dbraw/zinc/54/45/74/364544574.db2.gz ALPYYZSWBRCCAV-UHFFFAOYSA-N 0 0 278.308 1.906 20 5 CDBDRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000042647110 364604351 /nfs/dbraw/zinc/60/43/51/364604351.db2.gz RGBRVBPIYJGEDM-GFCCVEGCSA-N 0 0 292.291 1.763 20 5 CDBDRN CN(C)c1cccnc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295937952 370782843 /nfs/dbraw/zinc/78/28/43/370782843.db2.gz GISLFLXLNVDRII-UHFFFAOYSA-N 0 0 294.355 1.599 20 5 CDBDRN CO[C@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C12CCC2 ZINC000456613713 364658361 /nfs/dbraw/zinc/65/83/61/364658361.db2.gz GHRZFHXRABTUKX-UWVGGRQHSA-N 0 0 294.311 1.348 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCO1 ZINC000042864692 364628653 /nfs/dbraw/zinc/62/86/53/364628653.db2.gz YNNVXEOLCROSOT-NSHDSACASA-N 0 0 279.296 1.573 20 5 CDBDRN C[C@@H](O)CN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456630450 364723622 /nfs/dbraw/zinc/72/36/22/364723622.db2.gz SBVQTOABQNNDFD-MRVPVSSYSA-N 0 0 288.250 1.683 20 5 CDBDRN Cc1cc(NCC(=O)NCC(F)(F)F)ncc1[N+](=O)[O-] ZINC000074741634 364798971 /nfs/dbraw/zinc/79/89/71/364798971.db2.gz XIFQKGAGNRHVTC-UHFFFAOYSA-N 0 0 292.217 1.389 20 5 CDBDRN 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/nfs/dbraw/zinc/28/06/96/344280696.db2.gz HOJQSILYBMTEKC-MRVPVSSYSA-N 0 0 269.257 1.147 20 5 CDBDRN COC(=O)c1nn(C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000601917200 344280750 /nfs/dbraw/zinc/28/07/50/344280750.db2.gz GRARSICNOHNGKZ-QMMMGPOBSA-N 0 0 269.257 1.005 20 5 CDBDRN CC1(C)CC(=O)NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000601933706 344285072 /nfs/dbraw/zinc/28/50/72/344285072.db2.gz GCPVGEXUBIHSRA-UHFFFAOYSA-N 0 0 263.253 1.389 20 5 CDBDRN O=C1NN(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@@H]2CCC[C@@H]12 ZINC000601940529 344288100 /nfs/dbraw/zinc/28/81/00/344288100.db2.gz RNSBFOLPHYKZEX-RKDXNWHRSA-N 0 0 293.254 1.528 20 5 CDBDRN O=[N+]([O-])c1nccn1C[C@@H](O)COCc1cccs1 ZINC000601965966 344298500 /nfs/dbraw/zinc/29/85/00/344298500.db2.gz VEFXKSAODIWIEZ-SECBINFHSA-N 0 0 283.309 1.431 20 5 CDBDRN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO[C@H]1C1CC1 ZINC000273191819 192071201 /nfs/dbraw/zinc/07/12/01/192071201.db2.gz JZANNZSRTJOPKY-WCQYABFASA-N 0 0 279.296 1.610 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)OC[C@H]1C ZINC000602768973 344574140 /nfs/dbraw/zinc/57/41/40/344574140.db2.gz ZDIYHOPUVFFZOL-ZJUUUORDSA-N 0 0 268.317 1.209 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCN1CCOC2(CCC2)C1 ZINC000602795831 344586710 /nfs/dbraw/zinc/58/67/10/344586710.db2.gz AJKDMCPKQIPXFZ-UHFFFAOYSA-N 0 0 280.328 1.355 20 5 CDBDRN CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000129062560 362491342 /nfs/dbraw/zinc/49/13/42/362491342.db2.gz JCTLNQDQJJYSDJ-UHFFFAOYSA-N 0 0 250.301 1.492 20 5 CDBDRN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C ZINC000073211916 362450203 /nfs/dbraw/zinc/45/02/03/362450203.db2.gz UPOGQOYVUONCML-VIFPVBQESA-N 0 0 270.285 1.979 20 5 CDBDRN O=C(CC1(O)CCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073032734 362467306 /nfs/dbraw/zinc/46/73/06/362467306.db2.gz JXIFNSRNKFFRSQ-UHFFFAOYSA-N 0 0 292.335 1.949 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCOC(C)(C)C ZINC000602786981 344599900 /nfs/dbraw/zinc/59/99/00/344599900.db2.gz YQBKHJJSARLSBE-UHFFFAOYSA-N 0 0 284.360 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KDKQVQHSGBLALS-UHFFFAOYSA-N 0 0 297.311 1.024 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(CC(=O)C2CCC2)c1=O ZINC000603359113 344783297 /nfs/dbraw/zinc/78/32/97/344783297.db2.gz NUMVTNDNLXMWDZ-UHFFFAOYSA-N 0 0 266.253 1.134 20 5 CDBDRN COC(=O)c1cc(C(=O)NCCSC)cc([N+](=O)[O-])c1 ZINC000603450497 344808103 /nfs/dbraw/zinc/80/81/03/344808103.db2.gz BCRPWEVBWUWKFJ-UHFFFAOYSA-N 0 0 298.320 1.474 20 5 CDBDRN CCCC[C@@H](CC)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000603846224 344838090 /nfs/dbraw/zinc/83/80/90/344838090.db2.gz FGZPYNKNHLRETL-SECBINFHSA-N 0 0 267.333 1.848 20 5 CDBDRN C[C@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603928055 344846895 /nfs/dbraw/zinc/84/68/95/344846895.db2.gz KPURFIKBVWMRBM-VIFPVBQESA-N 0 0 299.352 1.479 20 5 CDBDRN C[C@@H]1CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604438331 344891997 /nfs/dbraw/zinc/89/19/97/344891997.db2.gz FAMIFBCJANEJTA-SSDOTTSWSA-N 0 0 260.253 1.706 20 5 CDBDRN O=[N+]([O-])c1ncccc1NC[C@@H](O)COCC1CC1 ZINC000604531538 344900904 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CCN(CCOCCO)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000283677186 362551202 /nfs/dbraw/zinc/55/12/02/362551202.db2.gz YUCWRHMKTMASQH-UHFFFAOYSA-N 0 0 296.323 1.633 20 5 CDBDRN CCc1c[nH]c(SCCn2cc([N+](=O)[O-])cn2)n1 ZINC000129280241 362552748 /nfs/dbraw/zinc/55/27/48/362552748.db2.gz KFPWLXBLMQASNT-UHFFFAOYSA-N 0 0 267.314 1.869 20 5 CDBDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159806411 362529146 /nfs/dbraw/zinc/52/91/46/362529146.db2.gz MIISHEUZXXXKFT-LURJTMIESA-N 0 0 270.216 1.025 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]2CO)c(F)c1 ZINC000222756595 362545918 /nfs/dbraw/zinc/54/59/18/362545918.db2.gz KAKUZTYSBZQVRL-SSDOTTSWSA-N 0 0 258.224 1.834 20 5 CDBDRN CC[C@@H](O)CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344363379 362572526 /nfs/dbraw/zinc/57/25/26/362572526.db2.gz AFKAGKLORSELJH-LLVKDONJSA-N 0 0 296.323 1.559 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NC(C)C)c1 ZINC000412857833 362573562 /nfs/dbraw/zinc/57/35/62/362573562.db2.gz QQOMQMGNCJKHSM-JTQLQIEISA-N 0 0 293.323 1.546 20 5 CDBDRN CCc1nc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)co1 ZINC000344219942 362557557 /nfs/dbraw/zinc/55/75/57/362557557.db2.gz YFYLEITWKRBJFU-UHFFFAOYSA-N 0 0 276.252 1.817 20 5 CDBDRN C[NH+](C)CC(C)(C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159917808 362566469 /nfs/dbraw/zinc/56/64/69/362566469.db2.gz NANRBOXXGRFQTJ-UHFFFAOYSA-N 0 0 295.339 1.618 20 5 CDBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC(F)F ZINC000073533914 345165629 /nfs/dbraw/zinc/16/56/29/345165629.db2.gz BNEDKNGNSVMCTD-UHFFFAOYSA-N 0 0 288.254 1.571 20 5 CDBDRN CCN(CC)C(=O)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052661022 345300433 /nfs/dbraw/zinc/30/04/33/345300433.db2.gz XCOWIMGFEFJLPR-UHFFFAOYSA-N 0 0 279.340 1.895 20 5 CDBDRN C[C@H]1C[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032386143 345409340 /nfs/dbraw/zinc/40/93/40/345409340.db2.gz WKKXSRJFOJICKH-IUCAKERBSA-N 0 0 292.291 1.752 20 5 CDBDRN CN1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000265731686 362592621 /nfs/dbraw/zinc/59/26/21/362592621.db2.gz BFWXWTVRLIKQBS-JTQLQIEISA-N 0 0 283.715 1.569 20 5 CDBDRN CN(CCCNc1ccc([N+](=O)[O-])s1)S(C)(=O)=O ZINC000048999718 345592229 /nfs/dbraw/zinc/59/22/29/345592229.db2.gz CVCCOQXWRQDZTI-UHFFFAOYSA-N 0 0 293.370 1.350 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000081789169 345623516 /nfs/dbraw/zinc/62/35/16/345623516.db2.gz LOLMZMGSNCIQCY-UGZDLDLSSA-N 0 0 282.321 1.154 20 5 CDBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)CC[S@@]1=O ZINC000617483751 345588018 /nfs/dbraw/zinc/58/80/18/345588018.db2.gz XCVJHJVWDSELPJ-YYSFKGJASA-N 0 0 269.326 1.337 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC[C@H](CCO)c1ccccc1 ZINC000265832221 362619554 /nfs/dbraw/zinc/61/95/54/362619554.db2.gz KWIVDKMVAJOWHZ-LBPRGKRZSA-N 0 0 290.323 1.906 20 5 CDBDRN Cc1c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nnn1C ZINC000265900498 362624040 /nfs/dbraw/zinc/62/40/40/362624040.db2.gz QCMSDMFFKZIFKT-QMMMGPOBSA-N 0 0 289.295 1.523 20 5 CDBDRN Cc1ccc(C(=O)NCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000010092939 345648252 /nfs/dbraw/zinc/64/82/52/345648252.db2.gz ZBKWFTOAROTYFP-UHFFFAOYSA-N 0 0 291.307 1.255 20 5 CDBDRN C[C@@H](CCO)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074357627 345685719 /nfs/dbraw/zinc/68/57/19/345685719.db2.gz GZRZKDPUTSIIKB-JTQLQIEISA-N 0 0 281.312 1.207 20 5 CDBDRN Cc1cnc(NCCOCC(F)F)c([N+](=O)[O-])c1 ZINC000231678169 362634433 /nfs/dbraw/zinc/63/44/33/362634433.db2.gz HVZDAOKUHLKUER-UHFFFAOYSA-N 0 0 261.228 1.992 20 5 CDBDRN CCNC(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000047254822 345743621 /nfs/dbraw/zinc/74/36/21/345743621.db2.gz YFMXOOUCZDIFNQ-UHFFFAOYSA-N 0 0 288.307 1.715 20 5 CDBDRN CN(C[C@@H](O)C1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000087557549 345732596 /nfs/dbraw/zinc/73/25/96/345732596.db2.gz XLLTVSMJECSBEE-CYBMUJFWSA-N 0 0 294.307 1.203 20 5 CDBDRN CN(CCN1CCCC1=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609578217 345816548 /nfs/dbraw/zinc/81/65/48/345816548.db2.gz ZJZSYSTVMYLOFA-UHFFFAOYSA-N 0 0 295.314 1.788 20 5 CDBDRN C[C@@H](CCO)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 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/nfs/dbraw/zinc/30/08/07/290300807.db2.gz FRDAZIGIHPVDII-ZETCQYMHSA-N 0 0 280.309 1.740 20 5 CDBDRN COc1ccnc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000344613917 366055613 /nfs/dbraw/zinc/05/56/13/366055613.db2.gz DUDJRQMZLOWMSC-UHFFFAOYSA-N 0 0 290.279 1.267 20 5 CDBDRN CC(C)(C)C(=O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000122142787 187016841 /nfs/dbraw/zinc/01/68/41/187016841.db2.gz XJWYYSXMZKVRRT-UHFFFAOYSA-N 0 0 294.307 1.705 20 5 CDBDRN Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1C ZINC000122435576 187032146 /nfs/dbraw/zinc/03/21/46/187032146.db2.gz FNXPBCLMCRUSPH-UHFFFAOYSA-N 0 0 288.307 1.838 20 5 CDBDRN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)C1CC1 ZINC000122657815 187044264 /nfs/dbraw/zinc/04/42/64/187044264.db2.gz RUBPZMVBUXRTIK-UHFFFAOYSA-N 0 0 261.230 1.605 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000291763107 198084051 /nfs/dbraw/zinc/08/40/51/198084051.db2.gz MVJRNGPGSRQSQG-BYPYZUCNSA-N 0 0 280.206 1.561 20 5 CDBDRN C[C@H](O)CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000123369661 187087620 /nfs/dbraw/zinc/08/76/20/187087620.db2.gz MGKUZFUNKNKJAL-JTQLQIEISA-N 0 0 266.297 1.367 20 5 CDBDRN Cc1cc(=O)n(C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000123376338 187088566 /nfs/dbraw/zinc/08/85/66/187088566.db2.gz WXCPFXSHEXMJLP-ZDUSSCGKSA-N 0 0 288.303 1.669 20 5 CDBDRN CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000457274365 366082271 /nfs/dbraw/zinc/08/22/71/366082271.db2.gz JJNFTWDJYXEUNM-CABZTGNLSA-N 0 0 266.301 1.872 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](OCC2CC2)C1 ZINC000516476038 363123793 /nfs/dbraw/zinc/12/37/93/363123793.db2.gz MVSZEQRYGQRHSD-JTQLQIEISA-N 0 0 294.311 1.349 20 5 CDBDRN Cc1cccc(C(=O)N2C[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000279397839 363133513 /nfs/dbraw/zinc/13/35/13/363133513.db2.gz ROQUDUJDPRYVDB-NSHDSACASA-N 0 0 278.308 1.746 20 5 CDBDRN CC[C@@H]1CC[C@@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000271480519 191163434 /nfs/dbraw/zinc/16/34/34/191163434.db2.gz SOSGALMVPNZFRH-NXEZZACHSA-N 0 0 266.301 1.581 20 5 CDBDRN COC(=O)c1cccc(OCc2noc(C)n2)c1[N+](=O)[O-] ZINC000413020340 363143754 /nfs/dbraw/zinc/14/37/54/363143754.db2.gz XHRNRCQRSNGUHP-UHFFFAOYSA-N 0 0 293.235 1.652 20 5 CDBDRN C[C@H](O)CS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000413020614 363143958 /nfs/dbraw/zinc/14/39/58/363143958.db2.gz WZXASDKVCAXPRY-CABZTGNLSA-N 0 0 296.348 1.814 20 5 CDBDRN COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133549005 187691854 /nfs/dbraw/zinc/69/18/54/187691854.db2.gz XEFIYSRUKOGPAH-UHFFFAOYSA-N 0 0 267.241 1.190 20 5 CDBDRN CC[C@@]1(C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000135310044 187818339 /nfs/dbraw/zinc/81/83/39/187818339.db2.gz GSACUSYXQQATSN-AWEZNQCLSA-N 0 0 293.323 1.818 20 5 CDBDRN COC(=O)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413030646 363194445 /nfs/dbraw/zinc/19/44/45/363194445.db2.gz GXFSTVALOQUASU-LURJTMIESA-N 0 0 257.221 1.492 20 5 CDBDRN CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1COC ZINC000271627498 191248354 /nfs/dbraw/zinc/24/83/54/191248354.db2.gz NIFWWJUMDCNCKX-UHFFFAOYSA-N 0 0 281.312 1.679 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1snnc1C ZINC000292157261 198185361 /nfs/dbraw/zinc/18/53/61/198185361.db2.gz CUVHKDQYVUCEHB-UHFFFAOYSA-N 0 0 282.329 1.892 20 5 CDBDRN CCOC(=O)c1cc(NC[C@@H](O)CC)ccc1[N+](=O)[O-] ZINC000292201261 198199369 /nfs/dbraw/zinc/19/93/69/198199369.db2.gz GQIKLDVIPNBVBT-JTQLQIEISA-N 0 0 282.296 1.954 20 5 CDBDRN O=C(NCCCCO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000236494808 363199845 /nfs/dbraw/zinc/19/98/45/363199845.db2.gz YVHNLJRVHUHHCO-UHFFFAOYSA-N 0 0 272.688 1.751 20 5 CDBDRN CN1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000152606048 188031355 /nfs/dbraw/zinc/03/13/55/188031355.db2.gz QFJBHTDRPWFAQH-QMMMGPOBSA-N 0 0 297.698 1.209 20 5 CDBDRN CCc1n[nH]c(C(=O)NC[C@@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000361766928 358475167 /nfs/dbraw/zinc/47/51/67/358475167.db2.gz ALYAUPFOWDACEN-RXMQYKEDSA-N 0 0 294.233 1.809 20 5 CDBDRN Cc1cc(N(C)C[C@@H](C)c2nn[nH]n2)c(F)cc1[N+](=O)[O-] ZINC000292367205 198260599 /nfs/dbraw/zinc/26/05/99/198260599.db2.gz DABDCGGNMGKHOB-MRVPVSSYSA-N 0 0 294.290 1.795 20 5 CDBDRN COCCN(CCO)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153891871 188110017 /nfs/dbraw/zinc/11/00/17/188110017.db2.gz NJAFPPPEJZKPGD-UHFFFAOYSA-N 0 0 275.692 1.088 20 5 CDBDRN CO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351612022 363211522 /nfs/dbraw/zinc/21/15/22/363211522.db2.gz UOBNZPIRKZKFGN-SECBINFHSA-N 0 0 283.259 1.987 20 5 CDBDRN CCOc1cccc(NC[C@H]2CC[C@@H](CO)O2)c1[N+](=O)[O-] ZINC000292613126 198351082 /nfs/dbraw/zinc/35/10/82/198351082.db2.gz CTQXDCDRKUIUGH-MNOVXSKESA-N 0 0 296.323 1.945 20 5 CDBDRN COC(=O)C(C)(C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000158046408 188354591 /nfs/dbraw/zinc/35/45/91/188354591.db2.gz LLQOZEQQDUHYFG-UHFFFAOYSA-N 0 0 294.307 1.832 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000292664925 198367688 /nfs/dbraw/zinc/36/76/88/198367688.db2.gz LCRZLJDBMQNGAQ-UFBFGSQYSA-N 0 0 291.307 1.756 20 5 CDBDRN Cc1csc([S@@](=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000158728719 188391295 /nfs/dbraw/zinc/39/12/95/188391295.db2.gz NIQWWVYGINAVCF-GOSISDBHSA-N 0 0 286.338 1.364 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C(F)(F)F ZINC000158430386 188376279 /nfs/dbraw/zinc/37/62/79/188376279.db2.gz WLUVGJBXCPFTOW-SECBINFHSA-N 0 0 281.186 1.905 20 5 CDBDRN COC(=O)C(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000037085128 363359605 /nfs/dbraw/zinc/35/96/05/363359605.db2.gz JKRLQPJWTYZJOV-UHFFFAOYSA-N 0 0 252.270 1.636 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000088716957 366220273 /nfs/dbraw/zinc/22/02/73/366220273.db2.gz QSJWTMFVEKCMEI-NSHDSACASA-N 0 0 293.323 1.562 20 5 CDBDRN C[C@@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)O1 ZINC000457403886 366206524 /nfs/dbraw/zinc/20/65/24/366206524.db2.gz UZYDNIPRUHLNMQ-SFYZADRCSA-N 0 0 253.258 1.220 20 5 CDBDRN COC1(C)CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000271756020 191307633 /nfs/dbraw/zinc/30/76/33/191307633.db2.gz NZOIVTKDVJLCTE-UHFFFAOYSA-N 0 0 282.300 1.267 20 5 CDBDRN O=C1NCCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148510927 363405658 /nfs/dbraw/zinc/40/56/58/363405658.db2.gz QMBCZBNUZDBHOL-ZETCQYMHSA-N 0 0 270.676 1.334 20 5 CDBDRN CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000271799347 191334276 /nfs/dbraw/zinc/33/42/76/191334276.db2.gz DEJWTAIZNVFSSC-AVPPRXQKSA-N 0 0 281.312 1.712 20 5 CDBDRN C[C@H](O)CCN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272340148 191664997 /nfs/dbraw/zinc/66/49/97/191664997.db2.gz OMOZUNVXFOBUEA-QMMMGPOBSA-N 0 0 296.279 1.166 20 5 CDBDRN Cc1c(C(=O)N2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000035103419 355967446 /nfs/dbraw/zinc/96/74/46/355967446.db2.gz KJPQLOVKUAGBEI-JTQLQIEISA-N 0 0 264.281 1.500 20 5 CDBDRN Cc1ccoc1CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000293582726 198691618 /nfs/dbraw/zinc/69/16/18/198691618.db2.gz AUVOEZJJHCGWKZ-UHFFFAOYSA-N 0 0 264.241 1.492 20 5 CDBDRN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C ZINC000558679567 356040628 /nfs/dbraw/zinc/04/06/28/356040628.db2.gz WPMNWBVNUBLYKW-UHFFFAOYSA-N 0 0 275.312 1.922 20 5 CDBDRN Cn1c(C(=O)N[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000336369965 356161239 /nfs/dbraw/zinc/16/12/39/356161239.db2.gz VQZWAXCSSFSIGQ-QMMMGPOBSA-N 0 0 269.326 1.559 20 5 CDBDRN CC(=O)NCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286117973 356218808 /nfs/dbraw/zinc/21/88/08/356218808.db2.gz MEWLXRMKUAVYNS-UHFFFAOYSA-N 0 0 255.249 1.672 20 5 CDBDRN CSCCCCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286197797 356233806 /nfs/dbraw/zinc/23/38/06/356233806.db2.gz VZLYTQRBJIGRPW-UHFFFAOYSA-N 0 0 286.357 1.971 20 5 CDBDRN COC[C@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000219238161 356262112 /nfs/dbraw/zinc/26/21/12/356262112.db2.gz JBFLWCWOQBCXOT-JTQLQIEISA-N 0 0 283.284 1.114 20 5 CDBDRN C[C@H](Cn1cccn1)Nc1c([N+](=O)[O-])ncn1C ZINC000029624306 356264820 /nfs/dbraw/zinc/26/48/20/356264820.db2.gz BWOKHZLGHURBFC-MRVPVSSYSA-N 0 0 250.262 1.025 20 5 CDBDRN COC(=O)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273513702 192183332 /nfs/dbraw/zinc/18/33/32/192183332.db2.gz XLONBCWNZNNBKT-SSDOTTSWSA-N 0 0 299.258 1.665 20 5 CDBDRN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1=O ZINC000331106184 356288159 /nfs/dbraw/zinc/28/81/59/356288159.db2.gz QWYQAWHVKDFFMM-ZETCQYMHSA-N 0 0 283.309 1.007 20 5 CDBDRN Cc1n[nH]cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171795579 356362322 /nfs/dbraw/zinc/36/23/22/356362322.db2.gz BKWMFVWLMJDDJV-UHFFFAOYSA-N 0 0 272.264 1.829 20 5 CDBDRN C[C@@H]1C[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000359508495 356390523 /nfs/dbraw/zinc/39/05/23/356390523.db2.gz ZWVPCYKUBGLYAA-JGVFFNPUSA-N 0 0 252.274 1.199 20 5 CDBDRN CCCN(CC(N)=O)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000488744960 283159334 /nfs/dbraw/zinc/15/93/34/283159334.db2.gz KOTPGDZAXXOAPC-UHFFFAOYSA-N 0 0 272.692 1.345 20 5 CDBDRN Cc1nnc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)s1 ZINC000273616777 192231519 /nfs/dbraw/zinc/23/15/19/192231519.db2.gz PQMNFWLGCQCFNH-SSDOTTSWSA-N 0 0 282.329 1.302 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC000559286177 356526735 /nfs/dbraw/zinc/52/67/35/356526735.db2.gz SDEIWPXGSSGZEV-UHFFFAOYSA-N 0 0 263.228 1.992 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)C[C@@H]1C ZINC000584105076 366275224 /nfs/dbraw/zinc/27/52/24/366275224.db2.gz BPZWNNAPIDJTKS-VIFPVBQESA-N 0 0 267.333 1.260 20 5 CDBDRN Cc1c(Cc2nc(C[S@](C)=O)no2)cccc1[N+](=O)[O-] ZINC000273751368 192292081 /nfs/dbraw/zinc/29/20/81/192292081.db2.gz AISMCONFWYZMPQ-FQEVSTJZSA-N 0 0 295.320 1.756 20 5 CDBDRN Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000043268210 356586362 /nfs/dbraw/zinc/58/63/62/356586362.db2.gz NPMZYBVHUFBGRE-UHFFFAOYSA-N 0 0 260.253 1.738 20 5 CDBDRN CC(C)n1cc(CNc2ccc([N+](=O)[O-])cn2)nn1 ZINC000567432870 293780215 /nfs/dbraw/zinc/78/02/15/293780215.db2.gz NVQWNBMRBPXAQW-UHFFFAOYSA-N 0 0 262.273 1.196 20 5 CDBDRN Cc1c(OS(=O)(=O)CCCF)cccc1[N+](=O)[O-] ZINC000175532133 188954814 /nfs/dbraw/zinc/95/48/14/188954814.db2.gz VEAMNRQMWXPESG-UHFFFAOYSA-N 0 0 277.273 1.971 20 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1162912185 /nfs/dbraw/zinc/91/21/85/1162912185.db2.gz XJUXTZKCMSIWST-MRVPVSSYSA-N 0 0 253.258 1.378 20 5 CDBDRN Cn1nncc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000809133564 1162960729 /nfs/dbraw/zinc/96/07/29/1162960729.db2.gz KMIBJWLDXJOKGA-UHFFFAOYSA-N 0 0 262.225 1.080 20 5 CDBDRN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000805336646 1162969667 /nfs/dbraw/zinc/96/96/67/1162969667.db2.gz VZVALJNALKQMDZ-VIFPVBQESA-N 0 0 290.279 1.570 20 5 CDBDRN CC(C)[C@](C)(Nc1cccnc1[N+](=O)[O-])C(N)=O ZINC000306115536 1158790975 /nfs/dbraw/zinc/79/09/75/1158790975.db2.gz YOUJNGGPHHWZJQ-NSHDSACASA-N 0 0 252.274 1.302 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC(O)C1 ZINC000236477927 1159466380 /nfs/dbraw/zinc/46/63/80/1159466380.db2.gz FRXRFJPISDKACO-UHFFFAOYSA-N 0 0 256.645 1.065 20 5 CDBDRN COc1cc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(C)=O)C2)cc1F ZINC001170583884 1163053380 /nfs/dbraw/zinc/05/33/80/1163053380.db2.gz NOSTZAHKTFICIC-KYZUINATSA-N 0 0 297.286 1.822 20 5 CDBDRN C[C@H](CO)C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604199100 1163122925 /nfs/dbraw/zinc/12/29/25/1163122925.db2.gz RYZMNTRGGSHOMK-TVQRCGJNSA-N 0 0 282.296 1.113 20 5 CDBDRN O=C(NOCc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000179116784 1160518789 /nfs/dbraw/zinc/51/87/89/1160518789.db2.gz HJLCGYHZBPSEEX-UHFFFAOYSA-N 0 0 262.225 1.180 20 5 CDBDRN Nc1ccc(C(=O)NCCCn2cccn2)cc1[N+](=O)[O-] ZINC000030170948 1160677251 /nfs/dbraw/zinc/67/72/51/1160677251.db2.gz KKLJWXDDEANDGE-UHFFFAOYSA-N 0 0 289.295 1.194 20 5 CDBDRN CN(C)c1noc(COC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000789790633 1162106402 /nfs/dbraw/zinc/10/64/02/1162106402.db2.gz VNANYNRLXJQWON-UHFFFAOYSA-N 0 0 292.251 1.401 20 5 CDBDRN COC1(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000790268260 1162141102 /nfs/dbraw/zinc/14/11/02/1162141102.db2.gz AOMIANNCODUJSS-UHFFFAOYSA-N 0 0 297.267 1.624 20 5 CDBDRN CC(C)(O)CONC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000791263326 1162206397 /nfs/dbraw/zinc/20/63/97/1162206397.db2.gz 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1163255394 /nfs/dbraw/zinc/25/53/94/1163255394.db2.gz XVJYXEXNCKNAQA-QMMMGPOBSA-N 0 0 275.268 1.962 20 5 CDBDRN CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H]1C ZINC001158622929 1163293203 /nfs/dbraw/zinc/29/32/03/1163293203.db2.gz SGQIQNANOSDIEQ-ZANVPECISA-N 0 0 293.323 1.674 20 5 CDBDRN Cc1ncccc1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000810883304 1163330706 /nfs/dbraw/zinc/33/07/06/1163330706.db2.gz KXOLWKBXQMEXKF-UHFFFAOYSA-N 0 0 275.264 1.994 20 5 CDBDRN CCN(CC(=O)NC)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000811810744 1163535132 /nfs/dbraw/zinc/53/51/32/1163535132.db2.gz ZRXOOPOAZFVPDZ-UHFFFAOYSA-N 0 0 267.285 1.176 20 5 CDBDRN Nc1ccnc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000813352373 1163872111 /nfs/dbraw/zinc/87/21/11/1163872111.db2.gz FCBLCEOBZVKZGW-UHFFFAOYSA-N 0 0 284.235 1.514 20 5 CDBDRN CC(=O)c1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000813616606 1163931607 /nfs/dbraw/zinc/93/16/07/1163931607.db2.gz WZPYYOPYWXMACE-GDNZZTSVSA-N 0 0 276.292 1.472 20 5 CDBDRN O=[N+]([O-])c1cn(CCC2CCCCC2)nc1-c1nnn[n-]1 ZINC001607084829 1164075298 /nfs/dbraw/zinc/07/52/98/1164075298.db2.gz AMQUTJOJBAJLAH-UHFFFAOYSA-N 0 0 291.315 1.942 20 5 CDBDRN CCc1[nH]nc(C(=O)OCCC2(OC)CCC2)c1[N+](=O)[O-] ZINC000815235822 1164117453 /nfs/dbraw/zinc/11/74/53/1164117453.db2.gz GXRHODJCRKPMGL-UHFFFAOYSA-N 0 0 297.311 1.996 20 5 CDBDRN O=C1N[C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC001171119406 1164248896 /nfs/dbraw/zinc/24/88/96/1164248896.db2.gz RNUXVFNRXMVTPS-GFCCVEGCSA-N 0 0 270.248 1.844 20 5 CDBDRN O=C1OCCN1[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000852432568 1164453950 /nfs/dbraw/zinc/45/39/50/1164453950.db2.gz IGTSCSFVTCMOSE-LBPRGKRZSA-N 0 0 291.307 1.621 20 5 CDBDRN CCN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000794617707 1164527833 /nfs/dbraw/zinc/52/78/33/1164527833.db2.gz WAKUJKAEEGKFKM-UHFFFAOYSA-N 0 0 277.280 1.945 20 5 CDBDRN Cc1ccc([C@H](O)c2cn(CC(C)(C)[N+](=O)[O-])nn2)cc1 ZINC000864642169 1164568014 /nfs/dbraw/zinc/56/80/14/1164568014.db2.gz JICFCCBRUQYERN-ZDUSSCGKSA-N 0 0 290.323 1.724 20 5 CDBDRN CC(C)(Cn1cc(CNCc2ccccc2)nn1)[N+](=O)[O-] ZINC000864642378 1164568037 /nfs/dbraw/zinc/56/80/37/1164568037.db2.gz MUXNSWSFNJQILA-UHFFFAOYSA-N 0 0 289.339 1.623 20 5 CDBDRN CSCCCn1nc([N+](=O)[O-])nc1Br ZINC000865389432 1164639516 /nfs/dbraw/zinc/63/95/16/1164639516.db2.gz RMJABAXVSHJPDP-UHFFFAOYSA-N 0 0 281.135 1.702 20 5 CDBDRN O=[N+]([O-])c1cc(CO)c(NC[C@H]2CCCO2)cc1F ZINC000865397918 1164640930 /nfs/dbraw/zinc/64/09/30/1164640930.db2.gz OULGOWWDSWSROB-SECBINFHSA-N 0 0 270.260 1.817 20 5 CDBDRN C[C@@H]1OCC[C@H]1Cn1nc([N+](=O)[O-])nc1Br ZINC000865392189 1164640984 /nfs/dbraw/zinc/64/09/84/1164640984.db2.gz VJBXGEWCCLDJQE-WDSKDSINSA-N 0 0 291.105 1.374 20 5 CDBDRN O=[N+]([O-])c1cc(CO)c(N2CC3(CC3)C2)cc1F ZINC000865842319 1164698838 /nfs/dbraw/zinc/69/88/38/1164698838.db2.gz QAUCEISYDRDTCU-UHFFFAOYSA-N 0 0 252.245 1.826 20 5 CDBDRN COCC1CN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000865913985 1164708518 /nfs/dbraw/zinc/70/85/18/1164708518.db2.gz YYJAGQVXAUQPOZ-UHFFFAOYSA-N 0 0 294.307 1.393 20 5 CDBDRN CC(C)CO[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000120858597 1164721529 /nfs/dbraw/zinc/72/15/29/1164721529.db2.gz LVALBLOBEIMNRJ-NSHDSACASA-N 0 0 268.317 1.496 20 5 CDBDRN C[C@@H](O)C[C@H](C)Nc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609129202 1164786199 /nfs/dbraw/zinc/78/61/99/1164786199.db2.gz YMCUVANXYAJMBY-JGVFFNPUSA-N 0 0 292.299 1.346 20 5 CDBDRN O=C(Nn1cnc2ccccc21)c1cc([N+](=O)[O-])n[nH]1 ZINC000794945496 1164811501 /nfs/dbraw/zinc/81/15/01/1164811501.db2.gz MKUGUNLRTRJUSE-UHFFFAOYSA-N 0 0 272.224 1.052 20 5 CDBDRN C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[C@H]1O ZINC000867542773 1164837609 /nfs/dbraw/zinc/83/76/09/1164837609.db2.gz HWQVTLSDVSWJHI-BXKDBHETSA-N 0 0 296.298 1.506 20 5 CDBDRN CC[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)(C)O ZINC000868580881 1164964859 /nfs/dbraw/zinc/96/48/59/1164964859.db2.gz AQDIFUQDGIZRDQ-NSHDSACASA-N 0 0 298.314 1.942 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1CC=CCC1 ZINC001609601404 1164998636 /nfs/dbraw/zinc/99/86/36/1164998636.db2.gz XHKJUHYYVAZRRH-UHFFFAOYSA-N 0 0 272.268 1.541 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC12CCC2 ZINC000874784470 1165668380 /nfs/dbraw/zinc/66/83/80/1165668380.db2.gz JJMXCWFQTXYUMH-SNVBAGLBSA-N 0 0 261.281 1.849 20 5 CDBDRN Cn1c2ccccc2nc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000874810410 1165672558 /nfs/dbraw/zinc/67/25/58/1165672558.db2.gz ZTXJOYIEMKLFMC-GMSGAONNSA-N 0 0 260.253 1.177 20 5 CDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ncc[nH]1 ZINC001155152048 1167100071 /nfs/dbraw/zinc/10/00/71/1167100071.db2.gz GSCDWFYNMLHRMX-SNVBAGLBSA-N 0 0 289.295 1.902 20 5 CDBDRN Cn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC(F)CC1 ZINC001262893170 1167440207 /nfs/dbraw/zinc/44/02/07/1167440207.db2.gz ZRYCMQNCHOHVRR-UHFFFAOYSA-N 0 0 294.290 1.657 20 5 CDBDRN [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001580251098 1172385481 /nfs/dbraw/zinc/38/54/81/1172385481.db2.gz ABYQZGLVTCVGIZ-YMTOWFKASA-N 0 0 291.307 1.254 20 5 CDBDRN Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580442853 1172438060 /nfs/dbraw/zinc/43/80/60/1172438060.db2.gz HZIAFZWMZYCCMW-HZGVNTEJSA-N 0 0 289.213 1.891 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC1CC1 ZINC001593482058 1174085772 /nfs/dbraw/zinc/08/57/72/1174085772.db2.gz WLPYGJBRJDFUNN-UHFFFAOYSA-N 0 0 260.257 1.597 20 5 CDBDRN C[C@@H]1C[C@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001603872430 1175663760 /nfs/dbraw/zinc/66/37/60/1175663760.db2.gz RLZWQQLJWHDIIH-RQJHMYQMSA-N 0 0 289.299 1.425 20 5 CDBDRN Cc1nc(Cl)nc(NC(C)(C)CCO)c1[N+](=O)[O-] ZINC000235817176 1178242795 /nfs/dbraw/zinc/24/27/95/1178242795.db2.gz BFPXLSNUWRZYMN-UHFFFAOYSA-N 0 0 274.708 1.920 20 5 CDBDRN C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000401338578 1186411835 /nfs/dbraw/zinc/41/18/35/1186411835.db2.gz QLZYEHADPKIJOI-CIUDSAMLSA-N 0 0 266.301 1.134 20 5 CDBDRN COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001606816032 1164002799 /nfs/dbraw/zinc/00/27/99/1164002799.db2.gz JSFSQKOLFQNGDN-VIFPVBQESA-N 0 0 288.687 1.437 20 5 CDBDRN O=C([O-])c1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001610650560 1165396454 /nfs/dbraw/zinc/39/64/54/1165396454.db2.gz BIRCNBLDYINAMY-VIFPVBQESA-N 0 0 293.279 1.374 20 5 CDBDRN O=C(N[C@@H]1CC12CCC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874776627 1165667239 /nfs/dbraw/zinc/66/72/39/1165667239.db2.gz DVPCMSHPJRZNPC-VXGBXAGGSA-N 0 0 276.292 1.687 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1CO ZINC000035209199 1165744244 /nfs/dbraw/zinc/74/42/44/1165744244.db2.gz YAFSMOPSPXMAJR-GFCCVEGCSA-N 0 0 294.307 1.347 20 5 CDBDRN O=C([C@H]1CCC(=O)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329540837 1167467110 /nfs/dbraw/zinc/46/71/10/1167467110.db2.gz IABGTPGVUFTRHC-VIFPVBQESA-N 0 0 274.276 1.806 20 5 CDBDRN COC(=O)[C@H]1C[C@@H](Oc2c(C)ccnc2[N+](=O)[O-])C1 ZINC001233551763 912861383 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IOBQKJGJDUVEEY-AWEZNQCLSA-N 0 0 278.308 1.511 20 5 CDBDRN CCc1nc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)no1 ZINC000153609689 188091835 /nfs/dbraw/zinc/09/18/35/188091835.db2.gz TWOVDUFGFRYJKR-UHFFFAOYSA-N 0 0 284.659 1.404 20 5 CDBDRN Cc1cc(N[C@H]2CCC(=O)NC2)c(F)cc1[N+](=O)[O-] ZINC000292350357 198254545 /nfs/dbraw/zinc/25/45/45/198254545.db2.gz BWFUORISBYADLZ-QMMMGPOBSA-N 0 0 267.260 1.733 20 5 CDBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CO ZINC000154014632 188118002 /nfs/dbraw/zinc/11/80/02/188118002.db2.gz UNFWWXZKSXBQBF-LLVKDONJSA-N 0 0 293.323 1.380 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@]1(C)CCOC1 ZINC000156156714 188245940 /nfs/dbraw/zinc/24/59/40/188245940.db2.gz NIDKKAUNOBXIRE-ZDUSSCGKSA-N 0 0 295.295 1.904 20 5 CDBDRN CN(CCC1CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000156203534 188248553 /nfs/dbraw/zinc/24/85/53/188248553.db2.gz PUEXLWJSVVIQSP-UHFFFAOYSA-N 0 0 252.274 1.050 20 5 CDBDRN CC[C@H](O)COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000156996464 188292118 /nfs/dbraw/zinc/29/21/18/188292118.db2.gz FGRIUTJNCKBUFG-JTQLQIEISA-N 0 0 253.254 1.947 20 5 CDBDRN Cc1c(CN2CCOC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000157241201 188304692 /nfs/dbraw/zinc/30/46/92/188304692.db2.gz KHNBMJSZZPCQAL-RISCZKNCSA-N 0 0 294.351 1.875 20 5 CDBDRN C[C@@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000157277054 188306956 /nfs/dbraw/zinc/30/69/56/188306956.db2.gz XDQQQUVEFJADHK-CYBMUJFWSA-N 0 0 280.280 1.269 20 5 CDBDRN C[C@]1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000157293995 188308739 /nfs/dbraw/zinc/30/87/39/188308739.db2.gz HMVOPYQEHDDCEI-AWEZNQCLSA-N 0 0 294.307 1.659 20 5 CDBDRN CCCCN(CCO)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157559735 188325283 /nfs/dbraw/zinc/32/52/83/188325283.db2.gz LNQMTAIAEHFVRX-UHFFFAOYSA-N 0 0 281.312 1.412 20 5 CDBDRN C[C@@H]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000157605701 188327869 /nfs/dbraw/zinc/32/78/69/188327869.db2.gz ZSYHVHIYHXHQON-IWSPIJDZSA-N 0 0 266.301 1.872 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C(C)C)c1 ZINC000157685869 188332860 /nfs/dbraw/zinc/33/28/60/188332860.db2.gz RFWOYOUINTUZFT-GFCCVEGCSA-N 0 0 266.297 1.650 20 5 CDBDRN C[C@@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCOC1 ZINC000157720825 188334478 /nfs/dbraw/zinc/33/44/78/188334478.db2.gz PRIHVRPWVQXUSV-CYBMUJFWSA-N 0 0 279.296 1.302 20 5 CDBDRN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CC[C@@H](CO)O3)nc2c1 ZINC000292660363 198366719 /nfs/dbraw/zinc/36/67/19/198366719.db2.gz HEIULQLGNYPSDQ-ZJUUUORDSA-N 0 0 292.295 1.423 20 5 CDBDRN COc1cccc([S@](=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000158808661 188394357 /nfs/dbraw/zinc/39/43/57/188394357.db2.gz ZZSSUGZBKUBGRA-FQEVSTJZSA-N 0 0 295.320 1.608 20 5 CDBDRN C[C@H]1CS(=O)(=O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000172634733 291000906 /nfs/dbraw/zinc/00/09/06/291000906.db2.gz BDVAHPAWJRRAAS-JTQLQIEISA-N 0 0 284.337 1.214 20 5 CDBDRN CC1(C)CCC[C@]1(O)CNc1ncc([N+](=O)[O-])cn1 ZINC000292846733 198431219 /nfs/dbraw/zinc/43/12/19/198431219.db2.gz QYYGGTZUUHIBOE-LBPRGKRZSA-N 0 0 266.301 1.738 20 5 CDBDRN O=[N+]([O-])c1ccc(N(C[C@H]2CCOC2)C2CC2)nc1 ZINC000167533160 363291315 /nfs/dbraw/zinc/29/13/15/363291315.db2.gz CUCYPNDVAFBNRR-SNVBAGLBSA-N 0 0 263.297 1.995 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CC[NH2+]CC1 ZINC000036904669 363288945 /nfs/dbraw/zinc/28/89/45/363288945.db2.gz CSHHVNMDEBUDFR-UHFFFAOYSA-N 0 0 265.269 1.239 20 5 CDBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000037023982 363314921 /nfs/dbraw/zinc/31/49/21/363314921.db2.gz KVSBRSRSLBKUTN-UHFFFAOYSA-N 0 0 258.299 1.592 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)SC)n1 ZINC000166848806 188640469 /nfs/dbraw/zinc/64/04/69/188640469.db2.gz LUUOKOGOKSCUPH-ZETCQYMHSA-N 0 0 285.325 1.940 20 5 CDBDRN COC[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)OC ZINC000272793030 191921145 /nfs/dbraw/zinc/92/11/45/191921145.db2.gz UBAPXKLYAATBDO-GFCCVEGCSA-N 0 0 282.296 1.294 20 5 CDBDRN C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000558748622 356044378 /nfs/dbraw/zinc/04/43/78/356044378.db2.gz JDALTAMTVSETKT-YWVKMMECSA-N 0 0 278.312 1.969 20 5 CDBDRN C[C@H](C(=O)N1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000577930995 356097500 /nfs/dbraw/zinc/09/75/00/356097500.db2.gz TWNPRIHJVSWGIT-MNOVXSKESA-N 0 0 278.308 1.946 20 5 CDBDRN C[C@@H](CCO)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000097443973 356154640 /nfs/dbraw/zinc/15/46/40/356154640.db2.gz AVQZAWIUBILRQG-JTQLQIEISA-N 0 0 266.297 1.272 20 5 CDBDRN CO[C@@H](C)CN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000286329432 356256862 /nfs/dbraw/zinc/25/68/62/356256862.db2.gz JAGNQLDNIJFQCL-JTQLQIEISA-N 0 0 282.296 1.467 20 5 CDBDRN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC000286340306 356259222 /nfs/dbraw/zinc/25/92/22/356259222.db2.gz YULMHNHCZPHCGO-SNVBAGLBSA-N 0 0 288.307 1.571 20 5 CDBDRN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286346581 356260987 /nfs/dbraw/zinc/26/09/87/356260987.db2.gz ZPXUHMGAXJGDSD-SCZZXKLOSA-N 0 0 279.296 1.028 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)CCO ZINC000164859961 356267241 /nfs/dbraw/zinc/26/72/41/356267241.db2.gz XLRXYFCMUKTDGN-SECBINFHSA-N 0 0 282.296 1.352 20 5 CDBDRN CCOC[C@@H](O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000336810680 356273748 /nfs/dbraw/zinc/27/37/48/356273748.db2.gz IXHUKWWBPBHETL-QMMMGPOBSA-N 0 0 276.239 1.682 20 5 CDBDRN C[C@H]1COCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286277398 356242900 /nfs/dbraw/zinc/24/29/00/356242900.db2.gz GOTMRUKNLDBGBT-ONGXEEELSA-N 0 0 293.323 1.778 20 5 CDBDRN CCOC(=O)[C@H](C)N(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358711433 356325104 /nfs/dbraw/zinc/32/51/04/356325104.db2.gz GTOJRCPYWGMNMW-JTQLQIEISA-N 0 0 294.307 1.927 20 5 CDBDRN CC(C)CCOCCn1cc([N+](=O)[O-])ccc1=O ZINC000059738951 356326047 /nfs/dbraw/zinc/32/60/47/356326047.db2.gz PVQXBAJSQYRALG-UHFFFAOYSA-N 0 0 254.286 1.819 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1N(C)CC(=O)NC1CC1 ZINC000174961826 188926384 /nfs/dbraw/zinc/92/63/84/188926384.db2.gz KDUSSMDFFURIBZ-UHFFFAOYSA-N 0 0 263.297 1.618 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1cnn(C)c1C ZINC000336838862 356297449 /nfs/dbraw/zinc/29/74/49/356297449.db2.gz NPUJOAHQWTUQIP-UHFFFAOYSA-N 0 0 278.316 1.774 20 5 CDBDRN CCC[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000134533408 356331344 /nfs/dbraw/zinc/33/13/44/356331344.db2.gz JBSWRQKJUQCERK-VIFPVBQESA-N 0 0 282.296 1.494 20 5 CDBDRN Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1F ZINC000032683482 356334406 /nfs/dbraw/zinc/33/44/06/356334406.db2.gz RYGKMKYZTVZUHC-UHFFFAOYSA-N 0 0 279.231 1.273 20 5 CDBDRN Cn1cnnc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134580038 356353275 /nfs/dbraw/zinc/35/32/75/356353275.db2.gz BZZNIINCDUMDLK-UHFFFAOYSA-N 0 0 295.686 1.307 20 5 CDBDRN Cc1nn(C)cc1[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000273602574 192225449 /nfs/dbraw/zinc/22/54/49/192225449.db2.gz JTOFHKASOCDIST-ZETCQYMHSA-N 0 0 262.273 1.600 20 5 CDBDRN C[C@H]1C[C@H](N2CCOCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286470291 356456805 /nfs/dbraw/zinc/45/68/05/356456805.db2.gz VTFSIIVMFRDNEA-STQMWFEESA-N 0 0 291.351 1.894 20 5 CDBDRN COC(=O)[C@H](C)CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000360003443 356457909 /nfs/dbraw/zinc/45/79/09/356457909.db2.gz IXYUOHBXCGOLBF-MRVPVSSYSA-N 0 0 296.279 1.741 20 5 CDBDRN COc1cccc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000134908108 356461037 /nfs/dbraw/zinc/46/10/37/356461037.db2.gz KNIGQYNHYYWVGK-VIFPVBQESA-N 0 0 253.302 1.965 20 5 CDBDRN CC[C@@H](C)NC(=O)[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000273666982 192253124 /nfs/dbraw/zinc/25/31/24/192253124.db2.gz WZTSQKURQCOEMC-HTQZYQBOSA-N 0 0 267.289 1.100 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(C(F)(F)F)C1 ZINC000560407638 290484282 /nfs/dbraw/zinc/48/42/82/290484282.db2.gz DRKSIGCVMOGCTD-UHFFFAOYSA-N 0 0 291.185 1.330 20 5 CDBDRN COCCOC[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000295988383 199745135 /nfs/dbraw/zinc/74/51/35/199745135.db2.gz KNMVIGSENWWHCQ-LLVKDONJSA-N 0 0 285.296 1.306 20 5 CDBDRN O=C(NCc1nc[nH]n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000037901918 356558451 /nfs/dbraw/zinc/55/84/51/356558451.db2.gz YJUKHHCJKRMFQR-UHFFFAOYSA-N 0 0 262.229 1.035 20 5 CDBDRN CC(C)N(CC(N)=O)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000038102667 356646675 /nfs/dbraw/zinc/64/66/75/356646675.db2.gz AXJZWVLLYKWUDK-UHFFFAOYSA-N 0 0 283.259 1.070 20 5 CDBDRN C[C@@H]1CC(=O)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000137067318 363556615 /nfs/dbraw/zinc/55/66/15/363556615.db2.gz QCINWCMSXRADNJ-LDYMZIIASA-N 0 0 278.264 1.023 20 5 CDBDRN COC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000560587431 290507239 /nfs/dbraw/zinc/50/72/39/290507239.db2.gz BPKQOBDECHLFQL-UHFFFAOYSA-N 0 0 296.264 1.418 20 5 CDBDRN CC[C@]1(COC)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000336886245 356741619 /nfs/dbraw/zinc/74/16/19/356741619.db2.gz GDDLSUIBDUWHLI-CYBMUJFWSA-N 0 0 293.279 1.446 20 5 CDBDRN CC[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000360264978 356927690 /nfs/dbraw/zinc/92/76/90/356927690.db2.gz JCXPTJXPLLOQQX-MRVPVSSYSA-N 0 0 253.258 1.174 20 5 CDBDRN COC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000032979640 356902496 /nfs/dbraw/zinc/90/24/96/356902496.db2.gz QCALSCLDGAQVBU-QMMMGPOBSA-N 0 0 266.253 1.195 20 5 CDBDRN O=[N+]([O-])c1ccc(CCNc2nccn3cnnc23)cc1 ZINC000079468834 356997329 /nfs/dbraw/zinc/99/73/29/356997329.db2.gz LISXOOREDSAQDF-UHFFFAOYSA-N 0 0 284.279 1.687 20 5 CDBDRN Cc1cccc(C(=O)NC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000041379953 357033779 /nfs/dbraw/zinc/03/37/79/357033779.db2.gz FYNAOJRBCFTQSU-JTQLQIEISA-N 0 0 264.281 1.670 20 5 CDBDRN Cc1nn(CCC(=O)N[C@@H]2CC[C@H](F)C2)c(C)c1[N+](=O)[O-] ZINC000360355928 357079445 /nfs/dbraw/zinc/07/94/45/357079445.db2.gz SJXZSZLMKUCVOR-WDEREUQCSA-N 0 0 298.318 1.805 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC1 ZINC000128427923 357231161 /nfs/dbraw/zinc/23/11/61/357231161.db2.gz MIRIWFSEFKQSFP-UHFFFAOYSA-N 0 0 291.307 1.277 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(N)=O)o2)n1 ZINC000128425641 357231181 /nfs/dbraw/zinc/23/11/81/357231181.db2.gz FFFJTHKNIQKZLG-UHFFFAOYSA-N 0 0 276.252 1.602 20 5 CDBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C1=CCOCC1 ZINC000341440006 357291612 /nfs/dbraw/zinc/29/16/12/357291612.db2.gz JUDYNVFKXRKJTL-UHFFFAOYSA-N 0 0 262.265 1.558 20 5 CDBDRN O=C(N[C@H]1COc2ccc(F)cc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000341378095 357243337 /nfs/dbraw/zinc/24/33/37/357243337.db2.gz QVRSHHBQSATNMP-JTQLQIEISA-N 0 0 291.238 1.926 20 5 CDBDRN CCN(C[C@H](C)O)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000341406981 357258160 /nfs/dbraw/zinc/25/81/60/357258160.db2.gz RCNYJXLWPVQFLE-JTQLQIEISA-N 0 0 266.297 1.746 20 5 CDBDRN CN(Cc1cn[nH]c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000083601519 357280625 /nfs/dbraw/zinc/28/06/25/357280625.db2.gz QHRZMHPZZCJBHS-UHFFFAOYSA-N 0 0 278.243 1.729 20 5 CDBDRN O=[N+]([O-])c1cc(Br)ccc1NC(CO)CO ZINC000083694808 357315806 /nfs/dbraw/zinc/31/58/06/357315806.db2.gz GOZGRLNFCIWEHA-UHFFFAOYSA-N 0 0 291.101 1.122 20 5 CDBDRN Cc1c(CNC(=O)CCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000360525746 357358605 /nfs/dbraw/zinc/35/86/05/357358605.db2.gz CBAYJGDGNXXQCM-UHFFFAOYSA-N 0 0 289.295 1.270 20 5 CDBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC(=O)C1 ZINC000566283010 357442762 /nfs/dbraw/zinc/44/27/62/357442762.db2.gz JWKDOVKNKPTDJI-ZETCQYMHSA-N 0 0 288.263 1.201 20 5 CDBDRN C[C@H]1CCC[C@]1(O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000294045957 198884831 /nfs/dbraw/zinc/88/48/31/198884831.db2.gz LZCMEQIQSGQQIW-SDBXPKJASA-N 0 0 294.311 1.052 20 5 CDBDRN CCOc1cc(O)ccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360573837 357480108 /nfs/dbraw/zinc/48/01/08/357480108.db2.gz ILBCGKAPTLZFIK-UHFFFAOYSA-N 0 0 292.251 1.675 20 5 CDBDRN C[C@@H](CO)N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000283542176 357567461 /nfs/dbraw/zinc/56/74/61/357567461.db2.gz HEMNIPHFJTZIJV-QMMMGPOBSA-N 0 0 277.280 1.529 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@](F)(CO)C1 ZINC000286585749 357530863 /nfs/dbraw/zinc/53/08/63/357530863.db2.gz AFSCTDAZRBNZBA-NSHDSACASA-N 0 0 288.300 1.593 20 5 CDBDRN O=C(COc1cccnc1[N+](=O)[O-])NCC1CCC1 ZINC000108660213 357548765 /nfs/dbraw/zinc/54/87/65/357548765.db2.gz OLECAIHMLDPNQG-UHFFFAOYSA-N 0 0 265.269 1.285 20 5 CDBDRN CNc1nccc(C(=O)N[C@@H]2CCCSC2)c1[N+](=O)[O-] ZINC000566443293 357722543 /nfs/dbraw/zinc/72/25/43/357722543.db2.gz PKPLCVVFLCPVAZ-MRVPVSSYSA-N 0 0 296.352 1.079 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000360806281 357690246 /nfs/dbraw/zinc/69/02/46/357690246.db2.gz MXLDTUWRLMWNAD-QMMMGPOBSA-N 0 0 292.217 1.399 20 5 CDBDRN C/C=C/C[C@H](CO)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000187244215 357745794 /nfs/dbraw/zinc/74/57/94/357745794.db2.gz XVBFZZIHEQYOII-VMZHVLLKSA-N 0 0 282.271 1.791 20 5 CDBDRN CC[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)OC ZINC000290744636 357746216 /nfs/dbraw/zinc/74/62/16/357746216.db2.gz RVEZWMNUJSNEKH-VIFPVBQESA-N 0 0 256.306 1.957 20 5 CDBDRN Cc1nn(C[C@@H]2CCCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] ZINC000408013922 357758002 /nfs/dbraw/zinc/75/80/02/357758002.db2.gz PQBURXTVYNUQAN-JTQLQIEISA-N 0 0 287.341 1.233 20 5 CDBDRN CCOC[C@@H]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)C1 ZINC000360989635 357767146 /nfs/dbraw/zinc/76/71/46/357767146.db2.gz FJIKZOHSIPKHPE-LLVKDONJSA-N 0 0 282.344 1.982 20 5 CDBDRN COc1cncc(Cn2ccc(C)c([N+](=O)[O-])c2=O)c1 ZINC000361006453 357771717 /nfs/dbraw/zinc/77/17/17/357771717.db2.gz GCLLBIFUOIEDNY-UHFFFAOYSA-N 0 0 275.264 1.517 20 5 CDBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(N)=O ZINC000361139484 357804889 /nfs/dbraw/zinc/80/48/89/357804889.db2.gz DSHJRCYTQCWORU-NSHDSACASA-N 0 0 293.323 1.107 20 5 CDBDRN CCN(C[C@@H](C)OC)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000361044156 357778265 /nfs/dbraw/zinc/77/82/65/357778265.db2.gz KJGPFLVDUUNDQO-MRVPVSSYSA-N 0 0 282.300 1.069 20 5 CDBDRN CSc1ccc(C(=O)N[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000361057249 357786699 /nfs/dbraw/zinc/78/66/99/357786699.db2.gz ZSCJNJIWCRDGPW-SSDOTTSWSA-N 0 0 297.336 1.310 20 5 CDBDRN COCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188393290 357891169 /nfs/dbraw/zinc/89/11/69/357891169.db2.gz 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5 CDBDRN C[C@H]1CO[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000888115878 620744749 /nfs/dbraw/zinc/74/47/49/620744749.db2.gz HTLYAZPOJCGANR-MFKMUULPSA-N 0 0 278.308 1.978 20 5 CDBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(O)C2)cc1C ZINC000892288253 617698763 /nfs/dbraw/zinc/69/87/63/617698763.db2.gz LXXACNRGUCWTKJ-UHFFFAOYSA-N 0 0 280.280 1.261 20 5 CDBDRN CC(C)C[C@@H](CCO)CNc1c([N+](=O)[O-])cnn1C ZINC000892752994 617704451 /nfs/dbraw/zinc/70/44/51/617704451.db2.gz QXGRMNBGRPOZNO-SNVBAGLBSA-N 0 0 270.333 1.785 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCC1(CCO)CCCC1 ZINC000892755847 617709090 /nfs/dbraw/zinc/70/90/90/617709090.db2.gz RTNSHBJDGWBNGY-UHFFFAOYSA-N 0 0 268.317 1.683 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1Nc1ccc2c(c1)N(C)CCO2 ZINC000892773864 617735362 /nfs/dbraw/zinc/73/53/62/617735362.db2.gz DJOLZIZAZJEBKS-UHFFFAOYSA-N 0 0 289.295 1.901 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](O)C(C)(C)C1 ZINC000893380673 617754998 /nfs/dbraw/zinc/75/49/98/617754998.db2.gz VFEUUVZOEUTZJR-LLVKDONJSA-N 0 0 281.312 1.596 20 5 CDBDRN CC[S@@](C)(=O)=NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000925823572 617798043 /nfs/dbraw/zinc/79/80/43/617798043.db2.gz YUNQNRNNEWBGIC-MRXNPFEDSA-N 0 0 250.320 1.466 20 5 CDBDRN C[C@@H](CNc1c([N+](=O)[O-])cnn1C)N1CCCCC1=O ZINC000893413861 617853901 /nfs/dbraw/zinc/85/39/01/617853901.db2.gz YXOXJUDHYQXVGL-VIFPVBQESA-N 0 0 281.316 1.141 20 5 CDBDRN C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CCC1(F)F ZINC000893905413 618156601 /nfs/dbraw/zinc/15/66/01/618156601.db2.gz OJXISOWYGJKQTO-ZETCQYMHSA-N 0 0 260.244 1.810 20 5 CDBDRN CN(C)c1cccnc1CNc1c([N+](=O)[O-])cnn1C ZINC000893910074 618167829 /nfs/dbraw/zinc/16/78/29/618167829.db2.gz CMULSOFWYYIODM-UHFFFAOYSA-N 0 0 276.300 1.401 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CC2(C1)CCOCC2 ZINC000893939083 618201364 /nfs/dbraw/zinc/20/13/64/618201364.db2.gz VRQSVFFBJNYODR-UHFFFAOYSA-N 0 0 263.297 1.915 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC[C@H](CO)C1CCCCC1 ZINC000893985171 618237838 /nfs/dbraw/zinc/23/78/38/618237838.db2.gz CXDCCRYHPQNVDO-LLVKDONJSA-N 0 0 282.344 1.929 20 5 CDBDRN C[C@H](C(=O)N[C@]12C[C@H]1COC2)c1ccc([N+](=O)[O-])cc1F ZINC000894183109 618665702 /nfs/dbraw/zinc/66/57/02/618665702.db2.gz JWXZEYPQCBKEQR-FZNYLWTLSA-N 0 0 294.282 1.743 20 5 CDBDRN Cc1cc(F)ccc1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673471 618776881 /nfs/dbraw/zinc/77/68/81/618776881.db2.gz OTXUCNRJGGTCOG-GHMZBOCLSA-N 0 0 253.229 1.843 20 5 CDBDRN CC[C@@H](C)C[C@H](CO)Nc1c([N+](=O)[O-])cnn1C ZINC000894354937 618815112 /nfs/dbraw/zinc/81/51/12/618815112.db2.gz YUFUWHSWXODZML-RKDXNWHRSA-N 0 0 256.306 1.537 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC(N3CCOCC3)C2)c(F)c1 ZINC000894363669 618822201 /nfs/dbraw/zinc/82/22/01/618822201.db2.gz HLVDUHMBZJMEFC-UHFFFAOYSA-N 0 0 281.287 1.255 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CC[C@]2(CC2(F)F)C1 ZINC000894408564 618867145 /nfs/dbraw/zinc/86/71/45/618867145.db2.gz SWBUAEOTAKSVAL-VIFPVBQESA-N 0 0 258.228 1.564 20 5 CDBDRN O=[N+]([O-])c1ncccc1NCCN=S1(=O)CCCC1 ZINC000894419107 618878004 /nfs/dbraw/zinc/87/80/04/618878004.db2.gz NLNSBMRYRRHPTE-UHFFFAOYSA-N 0 0 284.341 1.664 20 5 CDBDRN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3COCO3)nc2c1 ZINC000894886981 619122402 /nfs/dbraw/zinc/12/24/02/619122402.db2.gz YIPHOQAOGGKHBZ-SECBINFHSA-N 0 0 279.252 1.199 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1ncccn1 ZINC000895063305 619249325 /nfs/dbraw/zinc/24/93/25/619249325.db2.gz VGXWHCHSWTVDRN-UHFFFAOYSA-N 0 0 276.300 1.546 20 5 CDBDRN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000895117877 619308909 /nfs/dbraw/zinc/30/89/09/619308909.db2.gz DBWFHZLWBUCAIP-SDDRHHMPSA-N 0 0 291.351 1.735 20 5 CDBDRN COc1ccc(CC(=O)N(C)CCCF)cc1[N+](=O)[O-] ZINC000895294750 619524214 /nfs/dbraw/zinc/52/42/14/619524214.db2.gz SIUFMDYQDBSFKP-UHFFFAOYSA-N 0 0 284.287 1.964 20 5 CDBDRN C[N@@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000895775450 619839181 /nfs/dbraw/zinc/83/91/81/619839181.db2.gz AFBRNBJGIXQXBF-SNVBAGLBSA-N 0 0 290.323 1.596 20 5 CDBDRN CC[C@H](CN1CCOCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000895799834 619850296 /nfs/dbraw/zinc/85/02/96/619850296.db2.gz UXVLUKXSDDIVAM-SNVBAGLBSA-N 0 0 298.318 1.652 20 5 CDBDRN C[C@H]1COC[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000895906438 619893414 /nfs/dbraw/zinc/89/34/14/619893414.db2.gz YXAWEGYNBVBWDM-DTWKUNHWSA-N 0 0 262.269 1.689 20 5 CDBDRN O=[N+]([O-])c1ccc2nc(N3CCOCN3)sc2c1 ZINC000895921104 619910094 /nfs/dbraw/zinc/91/00/94/619910094.db2.gz ARTXMDJBJRZUQT-UHFFFAOYSA-N 0 0 266.282 1.503 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H](O)c1cccnc1 ZINC000895934843 619911999 /nfs/dbraw/zinc/91/19/99/619911999.db2.gz DQSLIYMLJCGEOL-ZDUSSCGKSA-N 0 0 288.307 1.863 20 5 CDBDRN CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCC(=O)N(C)C1 ZINC000895954074 619920395 /nfs/dbraw/zinc/92/03/95/619920395.db2.gz VDGNEZRITLAWSC-JTQLQIEISA-N 0 0 264.285 1.047 20 5 CDBDRN CC(C)c1nccn1CCNc1ncc([N+](=O)[O-])cn1 ZINC000895987173 619938637 /nfs/dbraw/zinc/93/86/37/619938637.db2.gz BWNSSUDWSOVHEU-UHFFFAOYSA-N 0 0 276.300 1.817 20 5 CDBDRN O=[N+]([O-])c1ccc(NCC2CC3(C2)OCCO3)nc1 ZINC000896152020 620011334 /nfs/dbraw/zinc/01/13/34/620011334.db2.gz VEFXPRWBYMHBQO-UHFFFAOYSA-N 0 0 265.269 1.555 20 5 CDBDRN CCO[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000896409407 620089548 /nfs/dbraw/zinc/08/95/48/620089548.db2.gz LSXZCTSZGUGBBM-VIFPVBQESA-N 0 0 254.290 1.252 20 5 CDBDRN COC[C@H]1COCCN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000896688048 620193502 /nfs/dbraw/zinc/19/35/02/620193502.db2.gz GHDHJUUHUQBVGT-LBPRGKRZSA-N 0 0 294.307 1.649 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](CO)C1 ZINC000896690371 620194351 /nfs/dbraw/zinc/19/43/51/620194351.db2.gz OSISLTSTFXCCAN-HOMQSWHASA-N 0 0 266.297 1.924 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCNC2=O)c1C ZINC000897243694 620439811 /nfs/dbraw/zinc/43/98/11/620439811.db2.gz RVTMLHCVYMQYRB-LLVKDONJSA-N 0 0 291.307 1.172 20 5 CDBDRN CC(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021677899 620516775 /nfs/dbraw/zinc/51/67/75/620516775.db2.gz NRBHOMBIRNIZLJ-ZCFIWIBFSA-N 0 0 270.216 1.624 20 5 CDBDRN C[C@H](C(=O)N[C@@H]1COC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000928906577 620610791 /nfs/dbraw/zinc/61/07/91/620610791.db2.gz ABCRKTRLMHEEHK-OUJBWJOFSA-N 0 0 278.308 1.849 20 5 CDBDRN Cc1cc(OCC(=O)N[C@H]2COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000928908579 620615121 /nfs/dbraw/zinc/61/51/21/620615121.db2.gz IVHDRZFSKIFMFS-PWSUYJOCSA-N 0 0 294.307 1.433 20 5 CDBDRN C[C@H](C(=O)N[C@H]1COC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928909268 620615528 /nfs/dbraw/zinc/61/55/28/620615528.db2.gz FWLLKAOKEWURMS-RVBZMBCESA-N 0 0 296.298 1.989 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NOC[C@H]2CCOC2)c1C ZINC000897530930 620930249 /nfs/dbraw/zinc/93/02/49/620930249.db2.gz PTKLPYQPOVBWPZ-NSHDSACASA-N 0 0 294.307 1.910 20 5 CDBDRN O=[N+]([O-])CCN1CC(OCCCOc2ccccc2)C1 ZINC000899881798 622504375 /nfs/dbraw/zinc/50/43/75/622504375.db2.gz QRWYWTFGHUMQDV-UHFFFAOYSA-N 0 0 280.324 1.433 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nc(Cc3cccnc3)no2)[nH]n1 ZINC000904677042 626335503 /nfs/dbraw/zinc/33/55/03/626335503.db2.gz IWFJKGVZFPEREC-UHFFFAOYSA-N 0 0 272.224 1.354 20 5 CDBDRN O=[N+]([O-])CCNCc1nc(-c2ccc(Cl)cc2)no1 ZINC000905121564 626632611 /nfs/dbraw/zinc/63/26/11/626632611.db2.gz OBGUUHOWNQATGI-UHFFFAOYSA-N 0 0 282.687 1.756 20 5 CDBDRN CN(C)C(=O)Nc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905131698 626646133 /nfs/dbraw/zinc/64/61/33/626646133.db2.gz HPUGWFDAMIKTRG-UHFFFAOYSA-N 0 0 266.301 1.146 20 5 CDBDRN CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905143480 626655355 /nfs/dbraw/zinc/65/53/55/626655355.db2.gz AHPAJMDLWRYZFE-LBPRGKRZSA-N 0 0 271.748 1.809 20 5 CDBDRN O=C1[C@@H](NCC[N+](=O)[O-])CCCN1C1CCCCC1 ZINC000905227656 626683584 /nfs/dbraw/zinc/68/35/84/626683584.db2.gz DSWDVHWLQKFXEK-LBPRGKRZSA-N 0 0 269.345 1.176 20 5 CDBDRN O=[N+]([O-])CCNc1cccc(I)c1 ZINC000905297717 626725595 /nfs/dbraw/zinc/72/55/95/626725595.db2.gz CNXDUWAUGQGRBC-UHFFFAOYSA-N 0 0 292.076 1.980 20 5 CDBDRN O=C1CSc2ccc(NCC[N+](=O)[O-])cc2N1 ZINC000905299568 626754474 /nfs/dbraw/zinc/75/44/74/626754474.db2.gz FAFGCMISQKWAFG-UHFFFAOYSA-N 0 0 253.283 1.419 20 5 CDBDRN Cc1nnc(-c2cccc(NCC[N+](=O)[O-])c2)n1C ZINC000905332057 626771940 /nfs/dbraw/zinc/77/19/40/626771940.db2.gz ZKNRNTVSMQSHHX-UHFFFAOYSA-N 0 0 261.285 1.479 20 5 CDBDRN CC(C)[C@@H]1C[C@@H](C(=O)Nc2c([N+](=O)[O-])ncn2C)CCO1 ZINC000905885353 627025753 /nfs/dbraw/zinc/02/57/53/627025753.db2.gz CORNJWSQYRPNMQ-UWVGGRQHSA-N 0 0 296.327 1.718 20 5 CDBDRN Cc1ccnc(SC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000905983850 627081335 /nfs/dbraw/zinc/08/13/35/627081335.db2.gz ZAVJHMYUIYSKBP-LLVKDONJSA-N 0 0 294.336 1.648 20 5 CDBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906817138 627412897 /nfs/dbraw/zinc/41/28/97/627412897.db2.gz LSJCVJKZGBILNN-HONMWMINSA-N 0 0 288.303 1.479 20 5 CDBDRN CS(=O)(=O)Oc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000907641362 627757322 /nfs/dbraw/zinc/75/73/22/627757322.db2.gz ASVGIHJUSFJOQK-UHFFFAOYSA-N 0 0 285.199 1.952 20 5 CDBDRN O=C(OCCO)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910027378 628816949 /nfs/dbraw/zinc/81/69/49/628816949.db2.gz KJBIIYRJECMLNS-MNOVXSKESA-N 0 0 251.238 1.234 20 5 CDBDRN CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000028384906 629151047 /nfs/dbraw/zinc/15/10/47/629151047.db2.gz KJODZHOJGFXRHA-DTWKUNHWSA-N 0 0 297.311 1.393 20 5 CDBDRN COC[C@@H](CNc1cc([N+](=O)[O-])ccc1C(C)=O)OC ZINC000808015936 630694869 /nfs/dbraw/zinc/69/48/69/630694869.db2.gz SJFRNXALQZYEGC-LLVKDONJSA-N 0 0 282.296 1.871 20 5 CDBDRN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(F)CC1 ZINC000914430257 631429606 /nfs/dbraw/zinc/42/96/06/631429606.db2.gz USARRNQWQWQFKS-GFCCVEGCSA-N 0 0 282.271 1.589 20 5 CDBDRN O=C(CN1CCCNC1=O)OCc1ccccc1[N+](=O)[O-] ZINC000915434660 631722120 /nfs/dbraw/zinc/72/21/20/631722120.db2.gz ILHMEWIDYFIISJ-UHFFFAOYSA-N 0 0 293.279 1.053 20 5 CDBDRN Cc1cccc(C(=O)OCC(=O)C(F)F)c1[N+](=O)[O-] ZINC000800077578 631831670 /nfs/dbraw/zinc/83/16/70/631831670.db2.gz ULHXGZSSXHTTBY-UHFFFAOYSA-N 0 0 273.191 1.894 20 5 CDBDRN O=[N+]([O-])c1ncn(Cc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000917254047 632182806 /nfs/dbraw/zinc/18/28/06/632182806.db2.gz JMIHJUPFSDFYOK-UHFFFAOYSA-N 0 0 294.139 1.930 20 5 CDBDRN CCO[C@@H]1C[C@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000917304446 632191314 /nfs/dbraw/zinc/19/13/14/632191314.db2.gz MMMTXNJGJSZLBH-CHWSQXEVSA-N 0 0 295.291 1.942 20 5 CDBDRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1ccnc1[N+](=O)[O-] ZINC000918334058 632355972 /nfs/dbraw/zinc/35/59/72/632355972.db2.gz DELSZQMESRXSPX-AOOOYVTPSA-N 0 0 266.301 1.581 20 5 CDBDRN C[C@@H](C1CC1)N(C(=O)Cn1ccnc1[N+](=O)[O-])C1CC1 ZINC000918359982 632360988 /nfs/dbraw/zinc/36/09/88/632360988.db2.gz OJJWZXGBWOQHHA-VIFPVBQESA-N 0 0 278.312 1.581 20 5 CDBDRN CC(C)N(C(=O)Cn1ccnc1[N+](=O)[O-])C1CCCC1 ZINC000918360719 632361971 /nfs/dbraw/zinc/36/19/71/632361971.db2.gz UJNDWZMRZVEXJG-UHFFFAOYSA-N 0 0 280.328 1.971 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CCCCC1=O ZINC000920907334 632857149 /nfs/dbraw/zinc/85/71/49/632857149.db2.gz WGWIPZYHQHVSPZ-LLVKDONJSA-N 0 0 295.295 1.545 20 5 CDBDRN C[C@@H]1COC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921680282 633160428 /nfs/dbraw/zinc/16/04/28/633160428.db2.gz GOTWZWYVVMRCME-MFKMUULPSA-N 0 0 293.323 1.471 20 5 CDBDRN C[C@H](COC(=O)Cc1cnn2ccccc12)[N+](=O)[O-] ZINC000842801842 682344723 /nfs/dbraw/zinc/34/47/23/682344723.db2.gz NLSVJQQGVZEWHN-SECBINFHSA-N 0 0 263.253 1.085 20 5 CDBDRN CC(C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104435556 682387586 /nfs/dbraw/zinc/38/75/86/682387586.db2.gz OBHTVYWVOUCUCJ-UHFFFAOYSA-N 0 0 284.243 1.415 20 5 CDBDRN CCN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H](C)CO ZINC000814930035 682391384 /nfs/dbraw/zinc/39/13/84/682391384.db2.gz YIEVCJXROLVJQX-VIFPVBQESA-N 0 0 264.285 1.450 20 5 CDBDRN CC(C)(CCC(=O)OC1([C@@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000835170372 682708441 /nfs/dbraw/zinc/70/84/41/682708441.db2.gz BXDAZTMWPPZWRR-SNVBAGLBSA-N 0 0 271.313 1.934 20 5 CDBDRN CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)(C)O1 ZINC000885833240 683348016 /nfs/dbraw/zinc/34/80/16/683348016.db2.gz YJEMFMZFGMUUKQ-IVZWLZJFSA-N 0 0 270.329 1.362 20 5 CDBDRN CSCCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000073651543 683623794 /nfs/dbraw/zinc/62/37/94/683623794.db2.gz CLYWBAXQSHUPTH-UHFFFAOYSA-N 0 0 271.294 1.880 20 5 CDBDRN CC[C@@H](C)C[S@](=O)CCn1c(C)ncc1[N+](=O)[O-] ZINC000871611075 683751934 /nfs/dbraw/zinc/75/19/34/683751934.db2.gz PFEYBFVLEAWNKK-DYBLOJMWSA-N 0 0 273.358 1.895 20 5 CDBDRN O=[N+]([O-])c1c(Br)cccc1N1CC[C@H](O)C1 ZINC000309377694 683899798 /nfs/dbraw/zinc/89/97/98/683899798.db2.gz GCTGGJOBELXWRI-ZETCQYMHSA-N 0 0 287.113 1.928 20 5 CDBDRN O=C(NCCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000885746055 684074739 /nfs/dbraw/zinc/07/47/39/684074739.db2.gz XGZJHIBPNSMXRL-MRVPVSSYSA-N 0 0 286.309 1.192 20 5 CDBDRN CC(C)(C)OC(=O)C[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930856223 679702701 /nfs/dbraw/zinc/70/27/01/679702701.db2.gz FFVGTIFRXRUENO-NSHDSACASA-N 0 0 272.345 1.849 20 5 CDBDRN O=C(CCc1nnc[nH]1)OCc1ccc([N+](=O)[O-])cc1 ZINC000125858200 679719278 /nfs/dbraw/zinc/71/92/78/679719278.db2.gz VEGKSARGWJCREO-UHFFFAOYSA-N 0 0 276.252 1.389 20 5 CDBDRN Cc1nn(C[C@@H]2COC(C)(C)O2)c2ncc([N+](=O)[O-])cc12 ZINC000882132900 679727781 /nfs/dbraw/zinc/72/77/81/679727781.db2.gz VTDCXAHBLLMVAF-SNVBAGLBSA-N 0 0 292.295 1.799 20 5 CDBDRN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000775062872 679723706 /nfs/dbraw/zinc/72/37/06/679723706.db2.gz KBUAQIYIKDRRQN-UHFFFAOYSA-N 0 0 295.295 1.850 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000884623986 679742074 /nfs/dbraw/zinc/74/20/74/679742074.db2.gz UOIWZUSOGVULED-LMKPVCQUSA-N 0 0 266.297 1.671 20 5 CDBDRN CC1(C)OC[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000083772942 679730443 /nfs/dbraw/zinc/73/04/43/679730443.db2.gz NKDPWBPFSRNLRK-NSHDSACASA-N 0 0 281.264 1.903 20 5 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XLZZDUUWRYQRKH-GFCCVEGCSA-N 0 0 292.339 1.291 20 5 CDBDRN Cc1cccc(C(=O)NCCc2cnn(C)c2)c1[N+](=O)[O-] ZINC000042759019 342107833 /nfs/dbraw/zinc/10/78/33/342107833.db2.gz BZGDHTRLPQUUBA-UHFFFAOYSA-N 0 0 288.307 1.609 20 5 CDBDRN CCCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044308068 342115140 /nfs/dbraw/zinc/11/51/40/342115140.db2.gz PDAPDUKGCUMACR-UHFFFAOYSA-N 0 0 283.353 1.824 20 5 CDBDRN CC(C)[C@@H]1CN(C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591148062 342618618 /nfs/dbraw/zinc/61/86/18/342618618.db2.gz ZSAWQVRJKIPAMM-LBPRGKRZSA-N 0 0 282.319 1.905 20 5 CDBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000591156140 342620175 /nfs/dbraw/zinc/62/01/75/342620175.db2.gz ZEOJPACHJPEZSV-OIBJUYFYSA-N 0 0 255.249 1.336 20 5 CDBDRN Nc1nc(N2CC[C@@H](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000591462437 342631171 /nfs/dbraw/zinc/63/11/71/342631171.db2.gz IFXQNCCSABEOJI-SNVBAGLBSA-N 0 0 277.328 1.814 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCOC1 ZINC000565613031 365685655 /nfs/dbraw/zinc/68/56/55/365685655.db2.gz NQDZFUTYIAZLCE-VIFPVBQESA-N 0 0 267.285 1.090 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC1(O)CCC1 ZINC000591496860 342633735 /nfs/dbraw/zinc/63/37/35/342633735.db2.gz KWEASLNEERKXSH-UHFFFAOYSA-N 0 0 281.312 1.358 20 5 CDBDRN CCN(C(C)=O)c1nc(Cn2nccc2[N+](=O)[O-])cs1 ZINC000048706145 342138987 /nfs/dbraw/zinc/13/89/87/342138987.db2.gz IIYQAGZNSCGMMD-UHFFFAOYSA-N 0 0 295.324 1.669 20 5 CDBDRN O=C(C1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000058522166 342153070 /nfs/dbraw/zinc/15/30/70/342153070.db2.gz NTNOCJDVHIKMDT-UHFFFAOYSA-N 0 0 276.292 1.911 20 5 CDBDRN C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000592568733 342707511 /nfs/dbraw/zinc/70/75/11/342707511.db2.gz XNTZCXQEWKDAGK-HTQZYQBOSA-N 0 0 267.285 1.156 20 5 CDBDRN CC(C)(CCCO)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311840022 342164430 /nfs/dbraw/zinc/16/44/30/342164430.db2.gz QOTUVYAKTXFIHK-UHFFFAOYSA-N 0 0 268.317 1.783 20 5 CDBDRN CC[C@@H](C)C[C@@H](CO)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592873728 342742644 /nfs/dbraw/zinc/74/26/44/342742644.db2.gz OMOJPUZIASQWKO-ZJUUUORDSA-N 0 0 295.339 1.704 20 5 CDBDRN NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000340589870 361868620 /nfs/dbraw/zinc/86/86/20/361868620.db2.gz KSKUFXZGWCJPDV-UHFFFAOYSA-N 0 0 274.236 1.274 20 5 CDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000592815450 342731402 /nfs/dbraw/zinc/73/14/02/342731402.db2.gz HMRJAKUDULXQNB-VHSXEESVSA-N 0 0 294.311 1.349 20 5 CDBDRN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000573520903 361892113 /nfs/dbraw/zinc/89/21/13/361892113.db2.gz BHNSLYAJPMXDGN-SUNKGSAMSA-N 0 0 280.324 1.331 20 5 CDBDRN C[C@@H](CCO)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593107781 342768738 /nfs/dbraw/zinc/76/87/38/342768738.db2.gz NUMRNVWMVOJEJT-JTQLQIEISA-N 0 0 281.312 1.236 20 5 CDBDRN CCO[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000067904714 342177961 /nfs/dbraw/zinc/17/79/61/342177961.db2.gz 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1.913 20 5 CDBDRN CNc1nc(C(=O)N[C@@H](COC)C2CC2)ccc1[N+](=O)[O-] ZINC000456004871 361931641 /nfs/dbraw/zinc/93/16/41/361931641.db2.gz XUZQUBKFAWBPBR-JTQLQIEISA-N 0 0 294.311 1.186 20 5 CDBDRN COCCn1cc(Nc2nccc(C)c2[N+](=O)[O-])cn1 ZINC000070496149 361982056 /nfs/dbraw/zinc/98/20/56/361982056.db2.gz ZHIMNKGLUMIWCX-UHFFFAOYSA-N 0 0 277.284 1.885 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000593789932 342840218 /nfs/dbraw/zinc/84/02/18/342840218.db2.gz XMCVFXMCYNCDJS-UHFFFAOYSA-N 0 0 274.227 1.498 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593791552 342840447 /nfs/dbraw/zinc/84/04/47/342840447.db2.gz SVLPHYXXOLAGED-NXEZZACHSA-N 0 0 296.327 1.656 20 5 CDBDRN COC[C@@H](O)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000231564447 362000292 /nfs/dbraw/zinc/00/02/92/362000292.db2.gz LECYGRMVEAEZGP-JTQLQIEISA-N 0 0 254.286 1.713 20 5 CDBDRN Nc1c(C(=O)N2CC(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000588807020 342221978 /nfs/dbraw/zinc/22/19/78/342221978.db2.gz XIGWASGRWUTHTQ-UHFFFAOYSA-N 0 0 289.213 1.811 20 5 CDBDRN CC(C)[C@H]1N(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1(C)C ZINC000594364584 342896453 /nfs/dbraw/zinc/89/64/53/342896453.db2.gz JCZCKSAECVGLOL-LLVKDONJSA-N 0 0 292.339 1.909 20 5 CDBDRN CO[C@H](Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000600521521 342229925 /nfs/dbraw/zinc/22/99/25/342229925.db2.gz QJJGNEQMBOTBLT-SNVBAGLBSA-N 0 0 266.232 1.713 20 5 CDBDRN NC(=O)N1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000588843278 342222739 /nfs/dbraw/zinc/22/27/39/342222739.db2.gz SEWFAMVSANCOAZ-VIFPVBQESA-N 0 0 279.300 1.192 20 5 CDBDRN O=[N+]([O-])c1ccsc1N1CCN(c2ncc[nH]2)CC1 ZINC000588832453 342222812 /nfs/dbraw/zinc/22/28/12/342222812.db2.gz KYIRCBMIBJEEFZ-UHFFFAOYSA-N 0 0 279.325 1.706 20 5 CDBDRN CC(C)(CNc1ccc([N+](=O)[O-])s1)OCCO ZINC000588853976 342223253 /nfs/dbraw/zinc/22/32/53/342223253.db2.gz OEUAEVVSMCWMLK-UHFFFAOYSA-N 0 0 260.315 1.856 20 5 CDBDRN CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000588857201 342223269 /nfs/dbraw/zinc/22/32/69/342223269.db2.gz MIESKRSHIKGSSO-UHFFFAOYSA-N 0 0 264.281 1.121 20 5 CDBDRN COc1cc(N2CC[C@H](CC(N)=O)C2)c(F)cc1[N+](=O)[O-] ZINC000588856061 342223273 /nfs/dbraw/zinc/22/32/73/342223273.db2.gz WOVFIKLDKHHJCZ-MRVPVSSYSA-N 0 0 297.286 1.444 20 5 CDBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000588856757 342223334 /nfs/dbraw/zinc/22/33/34/342223334.db2.gz CITZKKZWOSNUNJ-UHFFFAOYSA-N 0 0 264.281 1.121 20 5 CDBDRN COc1ccc(CSCCC(N)=O)cc1[N+](=O)[O-] ZINC000600612621 342238381 /nfs/dbraw/zinc/23/83/81/342238381.db2.gz ZUYVLSPZWRJQKK-UHFFFAOYSA-N 0 0 270.310 1.712 20 5 CDBDRN C[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000600702308 342242879 /nfs/dbraw/zinc/24/28/79/342242879.db2.gz NJQPNTFMOSKPAU-SKDRFNHKSA-N 0 0 294.307 1.843 20 5 CDBDRN Cc1ccc(NC(=O)CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000067964352 342248207 /nfs/dbraw/zinc/24/82/07/342248207.db2.gz PCUYYTLKPCLKIQ-UHFFFAOYSA-N 0 0 291.307 1.854 20 5 CDBDRN CO[C@H]1C[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600775617 342248568 /nfs/dbraw/zinc/24/85/68/342248568.db2.gz NBVRNPTVJMYXNM-XYPYZODXSA-N 0 0 264.281 1.810 20 5 CDBDRN CC(=O)c1ccc(OCc2cn(C)nn2)c([N+](=O)[O-])c1 ZINC000534131972 282166563 /nfs/dbraw/zinc/16/65/63/282166563.db2.gz HPQKVKHEDFBICZ-UHFFFAOYSA-N 0 0 276.252 1.505 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)C(=O)[O-] ZINC000594541142 342915574 /nfs/dbraw/zinc/91/55/74/342915574.db2.gz PSZKFHHGUUCRCN-SECBINFHSA-N 0 0 282.296 1.804 20 5 CDBDRN CC(C)Oc1nc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000594552714 342916665 /nfs/dbraw/zinc/91/66/65/342916665.db2.gz HMVVYWLDQSYOFP-JTQLQIEISA-N 0 0 281.312 1.596 20 5 CDBDRN CN1CC(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600884762 342254445 /nfs/dbraw/zinc/25/44/45/342254445.db2.gz MFUGXLDTXLUBQZ-JTQLQIEISA-N 0 0 289.213 1.674 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000400161601 342257405 /nfs/dbraw/zinc/25/74/05/342257405.db2.gz 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/nfs/dbraw/zinc/33/16/40/270331640.db2.gz IMRHJDLWHXQCLZ-QMMMGPOBSA-N 0 0 252.274 1.235 20 5 CDBDRN Cn1nncc1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000394910290 270339125 /nfs/dbraw/zinc/33/91/25/270339125.db2.gz YAFQAONMMVYSPX-UHFFFAOYSA-N 0 0 284.279 1.884 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CC(C)(C)O)n1 ZINC000395045437 270339768 /nfs/dbraw/zinc/33/97/68/270339768.db2.gz KONRYMQDGYOERX-MRVPVSSYSA-N 0 0 297.311 1.738 20 5 CDBDRN CC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000395711463 270344074 /nfs/dbraw/zinc/34/40/74/270344074.db2.gz LMHZXCWKSXNEKS-KOLCDFICSA-N 0 0 266.297 1.792 20 5 CDBDRN C[C@H]1C[C@H](CO)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398629221 270357126 /nfs/dbraw/zinc/35/71/26/270357126.db2.gz NZVRLLFECNOYRE-AAEUAGOBSA-N 0 0 292.335 1.614 20 5 CDBDRN COC1(CO)CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000401899326 270376983 /nfs/dbraw/zinc/37/69/83/270376983.db2.gz CKQOYLMPXOQVIE-UHFFFAOYSA-N 0 0 281.312 1.276 20 5 CDBDRN C[C@H](O)C[C@@H]1CCCN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420610370 270379714 /nfs/dbraw/zinc/37/97/14/270379714.db2.gz LWVYYEQNSYLYTE-UWVGGRQHSA-N 0 0 293.323 1.433 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 ZINC000515500756 270444004 /nfs/dbraw/zinc/44/40/04/270444004.db2.gz UYTOQJRDVGGTJC-SECBINFHSA-N 0 0 294.311 1.043 20 5 CDBDRN COc1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000516785604 270489043 /nfs/dbraw/zinc/48/90/43/270489043.db2.gz PIDKNHGCLAVCBN-NHCYSSNCSA-N 0 0 278.308 1.811 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000270209198 276041568 /nfs/dbraw/zinc/04/15/68/276041568.db2.gz DNGJJMNRLZQWDV-BDAKNGLRSA-N 0 0 296.327 1.475 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000269439879 276041766 /nfs/dbraw/zinc/04/17/66/276041766.db2.gz DNXXYKZZAKWJRX-ZETCQYMHSA-N 0 0 284.341 1.677 20 5 CDBDRN CCOC1(C)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000291869365 276449495 /nfs/dbraw/zinc/44/94/95/276449495.db2.gz NKMDMNUHMSVPGG-UHFFFAOYSA-N 0 0 266.301 1.780 20 5 CDBDRN CC[C@@H]1C(=O)N(CC)CCN1c1ncc([N+](=O)[O-])s1 ZINC000336928528 276539407 /nfs/dbraw/zinc/53/94/07/276539407.db2.gz NQCGVHNNTVHRMF-MRVPVSSYSA-N 0 0 284.341 1.498 20 5 CDBDRN CO[C@H]1C[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N2C1 ZINC000036756260 277351431 /nfs/dbraw/zinc/35/14/31/277351431.db2.gz NFQCRGVUQDJXOL-QWRGUYRKSA-N 0 0 291.263 1.151 20 5 CDBDRN COC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000276849520 277355044 /nfs/dbraw/zinc/35/50/44/277355044.db2.gz HDBGGMVCUTYVIO-MWLCHTKSSA-N 0 0 293.323 1.934 20 5 CDBDRN COc1cc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000230097989 277827782 /nfs/dbraw/zinc/82/77/82/277827782.db2.gz XRJSNRNWQOXITM-IGJMFERPSA-N 0 0 296.298 1.950 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000360819932 277855556 /nfs/dbraw/zinc/85/55/56/277855556.db2.gz ISVBDLRWIPTOSL-MWLCHTKSSA-N 0 0 264.281 1.295 20 5 CDBDRN C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000272443964 278362209 /nfs/dbraw/zinc/36/22/09/278362209.db2.gz PSAZMDCIZASBEX-QMMMGPOBSA-N 0 0 278.264 1.806 20 5 CDBDRN CC1(C)[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000174259852 278433093 /nfs/dbraw/zinc/43/30/93/278433093.db2.gz DFFIWIHGYQUCIR-AOOOYVTPSA-N 0 0 275.308 1.905 20 5 CDBDRN C[C@@H]1C(=O)NCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000271647516 278434514 /nfs/dbraw/zinc/43/45/14/278434514.db2.gz RISBBMDMORVEGH-SECBINFHSA-N 0 0 286.291 1.468 20 5 CDBDRN Cc1nc(N2CC[S@@](=O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000348348334 279093823 /nfs/dbraw/zinc/09/38/23/279093823.db2.gz KLWUKJYLOMFMNR-NTCNTBNZSA-N 0 0 269.326 1.255 20 5 CDBDRN C[C@@H]1c2nncn2CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000276734548 279146413 /nfs/dbraw/zinc/14/64/13/279146413.db2.gz DLILDCYHUOCQIN-SECBINFHSA-N 0 0 287.279 1.403 20 5 CDBDRN CN(Cc1ccccc1F)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000048169281 279156862 /nfs/dbraw/zinc/15/68/62/279156862.db2.gz BAASBHSRSYOHKW-UHFFFAOYSA-N 0 0 292.270 1.589 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCCNC(=O)OC(C)(C)C ZINC000049390607 279173655 /nfs/dbraw/zinc/17/36/55/279173655.db2.gz YYUPBOSBUIBGDQ-UHFFFAOYSA-N 0 0 285.304 1.265 20 5 CDBDRN C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)n1cncn1 ZINC000055466677 279186161 /nfs/dbraw/zinc/18/61/61/279186161.db2.gz OMDPNMAZELVDAR-VHSXEESVSA-N 0 0 289.295 1.625 20 5 CDBDRN C[C@H](O)CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111009782 279319786 /nfs/dbraw/zinc/31/97/86/279319786.db2.gz ACHNHJJXXWEFBT-ZETCQYMHSA-N 0 0 272.688 1.701 20 5 CDBDRN CC[C@H](C)[C@@H](O)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000114946563 279339980 /nfs/dbraw/zinc/33/99/80/279339980.db2.gz JJUFINGVHQMVLI-GWCFXTLKSA-N 0 0 295.339 1.801 20 5 CDBDRN CCc1ccc(OCC(=O)N2CCNC2=O)c([N+](=O)[O-])c1 ZINC000115201002 279340689 /nfs/dbraw/zinc/34/06/89/279340689.db2.gz WPACJVSHUBFAAK-UHFFFAOYSA-N 0 0 293.279 1.088 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H](C)O)C2)n1 ZINC000120116957 279377996 /nfs/dbraw/zinc/37/79/96/279377996.db2.gz RMTXSWRDKLJABA-MNOVXSKESA-N 0 0 265.313 1.895 20 5 CDBDRN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)S1 ZINC000125255458 279465685 /nfs/dbraw/zinc/46/56/85/279465685.db2.gz GITBUPQEIQASFJ-HTQZYQBOSA-N 0 0 284.341 1.294 20 5 CDBDRN CC[C@@H](CCO)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000133848772 279756343 /nfs/dbraw/zinc/75/63/43/279756343.db2.gz GXZYCIZUCMPFMB-JTQLQIEISA-N 0 0 282.296 1.251 20 5 CDBDRN O=C(N[C@H]1C=CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000137814826 279852920 /nfs/dbraw/zinc/85/29/20/279852920.db2.gz IACUBAQZJXCUHI-QMMMGPOBSA-N 0 0 263.253 1.534 20 5 CDBDRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1=O ZINC000174171506 279893677 /nfs/dbraw/zinc/89/36/77/279893677.db2.gz KSQSHWYXHHAXNO-GFCCVEGCSA-N 0 0 291.307 1.934 20 5 CDBDRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])o1 ZINC000042190516 279943563 /nfs/dbraw/zinc/94/35/63/279943563.db2.gz WPKRTVWDOZQZIM-GXFFZTMASA-N 0 0 288.259 1.576 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCC(=O)N1 ZINC000193933149 280017853 /nfs/dbraw/zinc/01/78/53/280017853.db2.gz JGGYOQVORVUBPX-LBPRGKRZSA-N 0 0 291.307 1.270 20 5 CDBDRN Cc1ccnc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000194369193 280035591 /nfs/dbraw/zinc/03/55/91/280035591.db2.gz VKHGGSAFFRXBBY-UHFFFAOYSA-N 0 0 288.263 1.711 20 5 CDBDRN CC(=O)NCCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000195012202 280066253 /nfs/dbraw/zinc/06/62/53/280066253.db2.gz ASQRCEIYEXEANF-UHFFFAOYSA-N 0 0 279.296 1.159 20 5 CDBDRN CCCCOCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000195105740 280069859 /nfs/dbraw/zinc/06/98/59/280069859.db2.gz FIMVPRWJARCBLG-UHFFFAOYSA-N 0 0 284.316 1.114 20 5 CDBDRN [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000236232684 280128057 /nfs/dbraw/zinc/12/80/57/280128057.db2.gz VAIHAUJOPVECPT-PSASIEDQSA-N 0 0 279.296 1.614 20 5 CDBDRN COc1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000245510265 280216821 /nfs/dbraw/zinc/21/68/21/280216821.db2.gz LEZOHQXPGVWLNX-XYPYZODXSA-N 0 0 294.307 1.637 20 5 CDBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC2)cc1[N+](=O)[O-] ZINC000073053630 280258076 /nfs/dbraw/zinc/25/80/76/280258076.db2.gz LTDAYLGYPYKNDN-UHFFFAOYSA-N 0 0 265.225 1.657 20 5 CDBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCOC[C@@H](O)C1 ZINC000296389135 280361549 /nfs/dbraw/zinc/36/15/49/280361549.db2.gz UVFLCYSJMKLYDP-NSHDSACASA-N 0 0 289.291 1.341 20 5 CDBDRN Cc1cc(N[C@H]2CCc3nnnn3CC2)ccc1[N+](=O)[O-] ZINC000420645212 280633536 /nfs/dbraw/zinc/63/35/36/280633536.db2.gz SZIPMAAJCFLPSF-JTQLQIEISA-N 0 0 288.311 1.707 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280506461 280664818 /nfs/dbraw/zinc/66/48/18/280664818.db2.gz PRTUPBWARWTMPW-SMDDNHRTSA-N 0 0 293.323 1.682 20 5 CDBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)nc1 ZINC000016494396 280909917 /nfs/dbraw/zinc/90/99/17/280909917.db2.gz MGHYUUACSXSJPE-UHFFFAOYSA-N 0 0 274.236 1.651 20 5 CDBDRN CC[C@H]1CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000340557304 281079282 /nfs/dbraw/zinc/07/92/82/281079282.db2.gz MKVGVUFIUNBCPS-VIFPVBQESA-N 0 0 266.301 1.651 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(O)CC1 ZINC000527335522 281129281 /nfs/dbraw/zinc/12/92/81/281129281.db2.gz RTJTTXPXHIRMGE-UHFFFAOYSA-N 0 0 279.296 1.892 20 5 CDBDRN CC[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1O ZINC000286522920 281177748 /nfs/dbraw/zinc/17/77/48/281177748.db2.gz OKQQLDKNJJEIKL-QPUJVOFHSA-N 0 0 251.286 1.384 20 5 CDBDRN C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1C ZINC000531445308 281773449 /nfs/dbraw/zinc/77/34/49/281773449.db2.gz IREHNHGHMSJVCP-IUCAKERBSA-N 0 0 299.352 1.334 20 5 CDBDRN Cc1n[nH]c([C@H]2CCCN(c3ncc([N+](=O)[O-])cn3)C2)n1 ZINC000274018019 282001061 /nfs/dbraw/zinc/00/10/61/282001061.db2.gz VSVNZNYHVXGVED-VIFPVBQESA-N 0 0 289.299 1.195 20 5 CDBDRN COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(OC)c1 ZINC000158897711 289319767 /nfs/dbraw/zinc/31/97/67/289319767.db2.gz SUFXXANOWBDUGQ-UHFFFAOYSA-N 0 0 292.251 1.587 20 5 CDBDRN Cc1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000255915896 289391407 /nfs/dbraw/zinc/39/14/07/289391407.db2.gz LHWRMWLBWQVGFG-DAXSKMNVSA-N 0 0 273.252 1.673 20 5 CDBDRN CC1(C)CC(CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000547708980 289798577 /nfs/dbraw/zinc/79/85/77/289798577.db2.gz NTUXIETWVROILO-UHFFFAOYSA-N 0 0 251.290 1.067 20 5 CDBDRN CC(C)CC1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547729803 289801602 /nfs/dbraw/zinc/80/16/02/289801602.db2.gz AILZWTXQTZAHRO-UHFFFAOYSA-N 0 0 292.339 1.958 20 5 CDBDRN CC(C)CC[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548384491 289876826 /nfs/dbraw/zinc/87/68/26/289876826.db2.gz RNDMEKXRRYDVTC-SECBINFHSA-N 0 0 280.328 1.957 20 5 CDBDRN CC(C)C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CCO1 ZINC000548953190 289948319 /nfs/dbraw/zinc/94/83/19/289948319.db2.gz BDWAOFUSEAIXIV-UWVGGRQHSA-N 0 0 296.327 1.641 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000553169712 290099535 /nfs/dbraw/zinc/09/95/35/290099535.db2.gz AZGUFNNAFRPKHZ-NXEZZACHSA-N 0 0 293.323 1.291 20 5 CDBDRN COC(=O)c1cc(Oc2cccnn2)ccc1[N+](=O)[O-] ZINC000553375190 290115769 /nfs/dbraw/zinc/11/57/69/290115769.db2.gz IGNPNMGBSFIXCM-UHFFFAOYSA-N 0 0 275.220 1.964 20 5 CDBDRN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccnc1 ZINC000554859975 290195266 /nfs/dbraw/zinc/19/52/66/290195266.db2.gz QTPSGFMKIJCBJU-ZETCQYMHSA-N 0 0 261.241 1.204 20 5 CDBDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554876773 290195715 /nfs/dbraw/zinc/19/57/15/290195715.db2.gz DRYJCUXRGUFBFO-KOLCDFICSA-N 0 0 296.327 1.499 20 5 CDBDRN C[C@H]1C(=O)N(Cc2c(F)cccc2[N+](=O)[O-])C(=O)[C@@H]1C ZINC000175066379 290301755 /nfs/dbraw/zinc/30/17/55/290301755.db2.gz RHQDVRHZMRNKLG-HTQZYQBOSA-N 0 0 280.255 1.875 20 5 CDBDRN O=C(N=c1cc2ccccn2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000557533308 290351070 /nfs/dbraw/zinc/35/10/70/290351070.db2.gz KQDHUMAGSXBMGX-UHFFFAOYSA-N 0 0 282.259 1.917 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nncn2c1 ZINC000161611165 292809278 /nfs/dbraw/zinc/80/92/78/292809278.db2.gz DOEQEJBUJBCKQT-UHFFFAOYSA-N 0 0 283.247 1.890 20 5 CDBDRN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000161684389 292811165 /nfs/dbraw/zinc/81/11/65/292811165.db2.gz OYMOTIYLSXEQNI-UHFFFAOYSA-N 0 0 272.264 1.623 20 5 CDBDRN CC(C)[C@@H]1CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000562550754 290543301 /nfs/dbraw/zinc/54/33/01/290543301.db2.gz UGYYJUYZMAJFGI-VIFPVBQESA-N 0 0 285.325 1.409 20 5 CDBDRN C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000283738268 290591386 /nfs/dbraw/zinc/59/13/86/290591386.db2.gz ITVYPDUATAKITL-VIFPVBQESA-N 0 0 299.352 1.190 20 5 CDBDRN CC(C)(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1=O ZINC000563046482 293255475 /nfs/dbraw/zinc/25/54/75/293255475.db2.gz BBFBHRUYYNFZBU-VIFPVBQESA-N 0 0 279.300 1.196 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C ZINC000563198628 293307374 /nfs/dbraw/zinc/30/73/74/293307374.db2.gz IRHFQQCQJPRHGH-UHFFFAOYSA-N 0 0 252.274 1.137 20 5 CDBDRN C[C@H]1CC[C@H](CSc2ncc([N+](=O)[O-])c(N)n2)O1 ZINC000565903668 293709250 /nfs/dbraw/zinc/70/92/50/293709250.db2.gz LAZZCRRNHYWRGN-NKWVEPMBSA-N 0 0 270.314 1.457 20 5 CDBDRN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000289517993 297033170 /nfs/dbraw/zinc/03/31/70/297033170.db2.gz MFOQFZNPTVYQPT-GHMZBOCLSA-N 0 0 298.364 1.602 20 5 CDBDRN CCNC(=O)COc1cc(OC)ccc1[N+](=O)[O-] ZINC000568749685 294093418 /nfs/dbraw/zinc/09/34/18/294093418.db2.gz UDRSQGXONHHZTP-UHFFFAOYSA-N 0 0 254.242 1.118 20 5 CDBDRN CC(F)(F)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000569521619 294194194 /nfs/dbraw/zinc/19/41/94/294194194.db2.gz VLPNOTKUQUUKJV-UHFFFAOYSA-N 0 0 259.212 1.562 20 5 CDBDRN CC(=O)NCCN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000570567076 294262641 /nfs/dbraw/zinc/26/26/41/294262641.db2.gz QPTXDBHCBCEUBX-UHFFFAOYSA-N 0 0 295.324 1.172 20 5 CDBDRN C[NH+]1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000570850068 294322822 /nfs/dbraw/zinc/32/28/22/294322822.db2.gz XDTGBGKSGMDDAU-UHFFFAOYSA-N 0 0 293.323 1.728 20 5 CDBDRN 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C[C@H]1SCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592463267 342695016 /nfs/dbraw/zinc/69/50/16/342695016.db2.gz FBZFBGZWLMGGIJ-HTRCEHHLSA-N 0 0 255.299 1.547 20 5 CDBDRN COC1(C)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000271752342 536567068 /nfs/dbraw/zinc/56/70/68/536567068.db2.gz YUWKFCZZBIQOMI-UHFFFAOYSA-N 0 0 251.286 1.995 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CCCO)c1[N+](=O)[O-] ZINC000269555938 190511213 /nfs/dbraw/zinc/51/12/13/190511213.db2.gz ZFQHSQQRRLDWJW-QMMMGPOBSA-N 0 0 284.316 1.332 20 5 CDBDRN C[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H](C(=O)[O-])C1 ZINC000592981427 342755156 /nfs/dbraw/zinc/75/51/56/342755156.db2.gz ZVPNIUJGIIHAEJ-QMMMGPOBSA-N 0 0 285.325 1.109 20 5 CDBDRN CC(=O)NCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000593087046 342763413 /nfs/dbraw/zinc/76/34/13/342763413.db2.gz LEZSCEXYJJWHMW-UHFFFAOYSA-N 0 0 294.311 1.399 20 5 CDBDRN C[C@H]1COCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593106618 342768651 /nfs/dbraw/zinc/76/86/51/342768651.db2.gz VRECLUNQDSCRFB-JTQLQIEISA-N 0 0 296.298 1.914 20 5 CDBDRN C[C@@H](CCO)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000096867086 342178512 /nfs/dbraw/zinc/17/85/12/342178512.db2.gz QMPCGJKFQGOEHO-ZETCQYMHSA-N 0 0 278.268 1.014 20 5 CDBDRN O=[N+]([O-])c1ccc(OCc2cc3n(n2)CCC3)cc1CO ZINC000593236877 342780120 /nfs/dbraw/zinc/78/01/20/342780120.db2.gz BRGHGTQFRAQDIZ-UHFFFAOYSA-N 0 0 289.291 1.809 20 5 CDBDRN CNC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000170784513 361896108 /nfs/dbraw/zinc/89/61/08/361896108.db2.gz JATDDEFFCDANDO-UHFFFAOYSA-N 0 0 299.714 1.456 20 5 CDBDRN O=C1CC[C@@H](CSc2cccc([N+](=O)[O-])c2)N1 ZINC000593424820 342795490 /nfs/dbraw/zinc/79/54/90/342795490.db2.gz RJUZMIGLCHQWDC-QMMMGPOBSA-N 0 0 252.295 1.966 20 5 CDBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000074450361 342189054 /nfs/dbraw/zinc/18/90/54/342189054.db2.gz WDPPVJGLGIAXLE-UHFFFAOYSA-N 0 0 282.271 1.985 20 5 CDBDRN Cc1nn(C)c(C(=O)NC[C@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000342871830 361916635 /nfs/dbraw/zinc/91/66/35/361916635.db2.gz OWNFJBIQLWZPKX-WCBMZHEXSA-N 0 0 296.327 1.039 20 5 CDBDRN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H](O)C1)OCCO2 ZINC000593695897 342824429 /nfs/dbraw/zinc/82/44/29/342824429.db2.gz WDIBBEVJRBFFBZ-LLVKDONJSA-N 0 0 294.307 1.323 20 5 CDBDRN C[C@@H](CCO)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000593520299 342806200 /nfs/dbraw/zinc/80/62/00/342806200.db2.gz YEBIYJXJYJZLRE-ZETCQYMHSA-N 0 0 270.314 1.511 20 5 CDBDRN CC[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593492374 342807184 /nfs/dbraw/zinc/80/71/84/342807184.db2.gz NANZETNLTFGTRN-IUCAKERBSA-N 0 0 294.311 1.092 20 5 CDBDRN CN(CC(C)(C)CO)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593735164 342830999 /nfs/dbraw/zinc/83/09/99/342830999.db2.gz SIBMRFHZXWEKBA-UHFFFAOYSA-N 0 0 298.314 1.753 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)CO1 ZINC000593807522 342837413 /nfs/dbraw/zinc/83/74/13/342837413.db2.gz PQSMLPAKKQPSMI-DTWKUNHWSA-N 0 0 267.285 1.562 20 5 CDBDRN COCCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000125484471 187187446 /nfs/dbraw/zinc/18/74/46/187187446.db2.gz QLBAUMLIQPNYTH-UHFFFAOYSA-N 0 0 289.291 1.861 20 5 CDBDRN CCOC[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000081520281 342215025 /nfs/dbraw/zinc/21/50/25/342215025.db2.gz BOHNZDUQVVUWBY-SNVBAGLBSA-N 0 0 268.317 1.187 20 5 CDBDRN O=C(N[C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593860980 342846702 /nfs/dbraw/zinc/84/67/02/342846702.db2.gz CJLGXFPDTHXVQG-SECBINFHSA-N 0 0 256.233 1.045 20 5 CDBDRN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594389349 342894279 /nfs/dbraw/zinc/89/42/79/342894279.db2.gz HMKHDQCSHLEGGT-SSDOTTSWSA-N 0 0 298.299 1.026 20 5 CDBDRN Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600506652 342228797 /nfs/dbraw/zinc/22/87/97/342228797.db2.gz YUEZZJORAUXZOP-JGZJWPJOSA-N 0 0 264.281 1.404 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1Cc1nsc(N(C)C)n1 ZINC000125538217 187190149 /nfs/dbraw/zinc/19/01/49/187190149.db2.gz YLPLQVMHCKZVNO-UHFFFAOYSA-N 0 0 268.302 1.066 20 5 CDBDRN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1(CO)CC1 ZINC000588857216 342223327 /nfs/dbraw/zinc/22/33/27/342223327.db2.gz NJQWARYWZIHVPG-UHFFFAOYSA-N 0 0 289.291 1.673 20 5 CDBDRN O=C(Nc1ncc(CCO)s1)c1ccccc1[N+](=O)[O-] ZINC000588873995 342223517 /nfs/dbraw/zinc/22/35/17/342223517.db2.gz XGDKDYRGFBDCBD-UHFFFAOYSA-N 0 0 293.304 1.838 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000600608764 342237866 /nfs/dbraw/zinc/23/78/66/342237866.db2.gz GNOANUQHFWUEQU-JGZJWPJOSA-N 0 0 294.307 1.446 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCCC(N)=O ZINC000600612125 342238340 /nfs/dbraw/zinc/23/83/40/342238340.db2.gz JSOWPGBKSNOTHJ-UHFFFAOYSA-N 0 0 297.336 1.450 20 5 CDBDRN CCC(O)(CC)CN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000600768116 342248121 /nfs/dbraw/zinc/24/81/21/342248121.db2.gz WQKPJRONTFKSPG-UHFFFAOYSA-N 0 0 283.328 1.556 20 5 CDBDRN CO[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000600774547 342248502 /nfs/dbraw/zinc/24/85/02/342248502.db2.gz FQBGACDCFDHODG-XWEPSHTISA-N 0 0 290.279 1.378 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1CO2 ZINC000600776652 342248671 /nfs/dbraw/zinc/24/86/71/342248671.db2.gz NFTZBMVQDOWENE-UWVGGRQHSA-N 0 0 278.264 1.217 20 5 CDBDRN Cn1nnc2c1CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)C2 ZINC000594595458 342923438 /nfs/dbraw/zinc/92/34/38/342923438.db2.gz BYLOICQVNYYJQE-QMMMGPOBSA-N 0 0 291.286 1.832 20 5 CDBDRN O=[N+]([O-])c1ccc(OCCC[S@@](=O)[C@H]2CCOC2)cc1 ZINC000600913708 342255434 /nfs/dbraw/zinc/25/54/34/342255434.db2.gz XERLFQARMDOPKZ-RNODOKPDSA-N 0 0 299.348 1.901 20 5 CDBDRN CC(C)Oc1nc(NC[C@@H]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000594571795 342919778 /nfs/dbraw/zinc/91/97/78/342919778.db2.gz LSTNKWOKHBHDJY-MNOVXSKESA-N 0 0 295.339 1.772 20 5 CDBDRN C[C@@H]1C[C@H](CCNc2c([N+](=O)[O-])ncn2C)CCO1 ZINC000273136887 192053555 /nfs/dbraw/zinc/05/35/55/192053555.db2.gz JLZVROUBKPMAFB-NXEZZACHSA-N 0 0 268.317 1.945 20 5 CDBDRN CC(C)[C@H](O)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653668 342934599 /nfs/dbraw/zinc/93/45/99/342934599.db2.gz XJSXFNFRWQGCRN-CYBMUJFWSA-N 0 0 292.295 1.441 20 5 CDBDRN CS(=O)(=O)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000400182605 349700810 /nfs/dbraw/zinc/70/08/10/349700810.db2.gz AURPOBHOFNSALS-SECBINFHSA-N 0 0 285.325 1.041 20 5 CDBDRN CC(=O)N[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000055797090 349697883 /nfs/dbraw/zinc/69/78/83/349697883.db2.gz FUJQRXYUYZDEEQ-CYBMUJFWSA-N 0 0 293.323 1.372 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC2CCC2)c1 ZINC000594891367 342969680 /nfs/dbraw/zinc/96/96/80/342969680.db2.gz TVBUKPLELIPOFR-UHFFFAOYSA-N 0 0 280.280 1.733 20 5 CDBDRN O=C1NCC[C@H]1CCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000594900641 342971044 /nfs/dbraw/zinc/97/10/44/342971044.db2.gz UTJHCVBIQNVBPJ-QMMMGPOBSA-N 0 0 291.263 1.029 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1cnn(CCO)c1 ZINC000619477783 349740236 /nfs/dbraw/zinc/74/02/36/349740236.db2.gz NYXQWXYQPJUICK-UHFFFAOYSA-N 0 0 280.288 1.052 20 5 CDBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC1 ZINC000619475770 349740399 /nfs/dbraw/zinc/74/03/99/349740399.db2.gz OMKAMTNZMBQEKM-UHFFFAOYSA-N 0 0 286.309 1.386 20 5 CDBDRN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C/CO ZINC000595073137 343002503 /nfs/dbraw/zinc/00/25/03/343002503.db2.gz SGOHTUBRIJDOIT-VUDBWIFFSA-N 0 0 293.323 1.450 20 5 CDBDRN Nc1nc(N[C@H](CO)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000075066281 342307618 /nfs/dbraw/zinc/30/76/18/342307618.db2.gz BDDLNWZNMCQPBS-SECBINFHSA-N 0 0 281.316 1.320 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)[C@H]2CCOC2)s1 ZINC000619505642 349755386 /nfs/dbraw/zinc/75/53/86/349755386.db2.gz GWFUSZQQDVFCBT-DTWKUNHWSA-N 0 0 272.326 1.713 20 5 CDBDRN O=[N+]([O-])c1sccc1NC[C@H](CO)[C@H]1CCOC1 ZINC000619505310 349755428 /nfs/dbraw/zinc/75/54/28/349755428.db2.gz IFCZNZLCZKXGQA-DTWKUNHWSA-N 0 0 272.326 1.713 20 5 CDBDRN CCc1nn(C)c(NC[C@](C)(O)CC)c1[N+](=O)[O-] ZINC000091560671 349778987 /nfs/dbraw/zinc/77/89/87/349778987.db2.gz BCBCVOVBKNPZBT-LLVKDONJSA-N 0 0 256.306 1.464 20 5 CDBDRN C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307380 343031788 /nfs/dbraw/zinc/03/17/88/343031788.db2.gz UJPMEKUZLSYKSY-QMMMGPOBSA-N 0 0 267.260 1.054 20 5 CDBDRN CC[C@]1(C)COCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595401084 343048719 /nfs/dbraw/zinc/04/87/19/343048719.db2.gz RWFCZQLCQSFFHF-GFCCVEGCSA-N 0 0 269.301 1.892 20 5 CDBDRN Cc1noc(CN(C)[C@@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000595422963 343055719 /nfs/dbraw/zinc/05/57/19/343055719.db2.gz BUHVQRCIPSDHLO-VIIUKITBSA-N 0 0 275.330 1.090 20 5 CDBDRN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000595476135 343064294 /nfs/dbraw/zinc/06/42/94/343064294.db2.gz XMYSKZJTOATKTJ-QMMMGPOBSA-N 0 0 279.275 1.713 20 5 CDBDRN Cc1noc(CN[C@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000595455414 343067460 /nfs/dbraw/zinc/06/74/60/343067460.db2.gz UAKWNYQZFWMDAB-GZMMTYOYSA-N 0 0 255.274 1.548 20 5 CDBDRN Cc1noc(CN2CC[C@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000595457833 343068465 /nfs/dbraw/zinc/06/84/65/343068465.db2.gz FENKSLYISNHTRW-IONNQARKSA-N 0 0 255.274 1.094 20 5 CDBDRN Cc1ccc([C@H](O)CNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294976734 199279880 /nfs/dbraw/zinc/27/98/80/199279880.db2.gz XWWXVCNZGVWKCN-CYBMUJFWSA-N 0 0 294.351 1.980 20 5 CDBDRN CCCCN1CC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000077475102 342329036 /nfs/dbraw/zinc/32/90/36/342329036.db2.gz VYZDWWMEKBUQAG-ZDUSSCGKSA-N 0 0 263.297 1.825 20 5 CDBDRN C[C@@H]1[C@H](C)OCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000166810214 362058861 /nfs/dbraw/zinc/05/88/61/362058861.db2.gz PLNNFTDEXTYVAG-MNOVXSKESA-N 0 0 294.307 1.609 20 5 CDBDRN C[C@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000077291068 342327472 /nfs/dbraw/zinc/32/74/72/342327472.db2.gz MIAKLPXAMPLJOG-VIFPVBQESA-N 0 0 299.352 1.479 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCOC1 ZINC000299276625 362075997 /nfs/dbraw/zinc/07/59/97/362075997.db2.gz AAOGYOYLKWOXER-SECBINFHSA-N 0 0 250.254 1.878 20 5 CDBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](O)C1 ZINC000061707356 362076970 /nfs/dbraw/zinc/07/69/70/362076970.db2.gz YZTBSWGWEYTYOX-VIFPVBQESA-N 0 0 259.265 1.714 20 5 CDBDRN CN(C[C@H]1CCC[C@H]1O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000270064867 190593248 /nfs/dbraw/zinc/59/32/48/190593248.db2.gz IIJLKZSHIAJCPB-DGCLKSJQSA-N 0 0 278.308 1.828 20 5 CDBDRN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCS1 ZINC000078590993 342338623 /nfs/dbraw/zinc/33/86/23/342338623.db2.gz CSVQSPQJDFFXHZ-SSDOTTSWSA-N 0 0 269.330 1.299 20 5 CDBDRN Cc1cnc(N[C@@H](C)[C@H](C)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000078660059 342339266 /nfs/dbraw/zinc/33/92/66/342339266.db2.gz XQSWOKDTWBPVDP-RYUDHWBXSA-N 0 0 294.355 1.819 20 5 CDBDRN CSC[C@@H](CCO)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000078667306 342339322 /nfs/dbraw/zinc/33/93/22/342339322.db2.gz XISWIJVMWFCHLV-SECBINFHSA-N 0 0 271.342 1.824 20 5 CDBDRN CNC(=O)[C@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078662170 342339400 /nfs/dbraw/zinc/33/94/00/342339400.db2.gz XRSZDYVMRYGOMJ-JTQLQIEISA-N 0 0 278.312 1.261 20 5 CDBDRN Cc1cnc(NCc2nncn2C2CC2)c([N+](=O)[O-])c1 ZINC000078662084 342339458 /nfs/dbraw/zinc/33/94/58/342339458.db2.gz MNAUWRYQGASOQN-UHFFFAOYSA-N 0 0 274.284 1.837 20 5 CDBDRN C[C@@H](O)CCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600966639 342354990 /nfs/dbraw/zinc/35/49/90/342354990.db2.gz ROGGPGGYUGBYRH-SECBINFHSA-N 0 0 262.269 1.489 20 5 CDBDRN C/C=C/CS(=O)(=O)Cc1onc(C)c1[N+](=O)[O-] ZINC000596039350 343217621 /nfs/dbraw/zinc/21/76/21/343217621.db2.gz WGLHHNRBPISGJP-ONEGZZNKSA-N 0 0 260.271 1.382 20 5 CDBDRN CCOCCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596083268 343220378 /nfs/dbraw/zinc/22/03/78/343220378.db2.gz ZAHCEJBWNDRHJC-UHFFFAOYSA-N 0 0 255.274 1.924 20 5 CDBDRN O=[N+]([O-])c1cnc(NCC2(CO)COC2)c(Cl)c1 ZINC000120467473 362119661 /nfs/dbraw/zinc/11/96/61/362119661.db2.gz CCVCWYVOWYIZOJ-UHFFFAOYSA-N 0 0 273.676 1.064 20 5 CDBDRN O=[N+]([O-])c1cccc(Br)c1N1CC[C@H](O)C1 ZINC000596106446 343228667 /nfs/dbraw/zinc/22/86/67/343228667.db2.gz CMVGSCYFNAIEQF-ZETCQYMHSA-N 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CO[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000770632993 575500438 /nfs/dbraw/zinc/50/04/38/575500438.db2.gz XRWSNYGMSAEQJN-CYBMUJFWSA-N 0 0 295.291 1.992 20 5 CDBDRN Cc1nonc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000735817195 575517415 /nfs/dbraw/zinc/51/74/15/575517415.db2.gz UZBSCBQEZCOOOS-UHFFFAOYSA-N 0 0 296.670 1.870 20 5 CDBDRN Cc1cccnc1Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000771561791 575590539 /nfs/dbraw/zinc/59/05/39/575590539.db2.gz XYUPLNNYCSEAEQ-UHFFFAOYSA-N 0 0 290.235 1.416 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@@H](C)C1 ZINC000772300878 575682861 /nfs/dbraw/zinc/68/28/61/575682861.db2.gz JDWDJTCZLDILHC-NSHDSACASA-N 0 0 277.324 1.679 20 5 CDBDRN Cc1ccc(COC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000772673570 575735135 /nfs/dbraw/zinc/73/51/35/575735135.db2.gz PUKJQWMKLNQTNF-UHFFFAOYSA-N 0 0 290.279 1.628 20 5 CDBDRN Cc1cc(=O)[nH]c(CSCCn2cc([N+](=O)[O-])cn2)n1 ZINC000772917782 575767924 /nfs/dbraw/zinc/76/79/24/575767924.db2.gz DDWOFYCIQYZHID-UHFFFAOYSA-N 0 0 295.324 1.529 20 5 CDBDRN CCOCCONC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000773331451 575802064 /nfs/dbraw/zinc/80/20/64/575802064.db2.gz FDCQPWLLCCCGTC-UHFFFAOYSA-N 0 0 297.311 1.405 20 5 CDBDRN CCOCCONC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000773919761 575844630 /nfs/dbraw/zinc/84/46/30/575844630.db2.gz RGFVQQFCGDNMFY-UHFFFAOYSA-N 0 0 284.268 1.301 20 5 CDBDRN CNc1c(C(=O)OCc2ccon2)cccc1[N+](=O)[O-] ZINC000765516365 576034793 /nfs/dbraw/zinc/03/47/93/576034793.db2.gz JNAIWBPDHDAOJG-UHFFFAOYSA-N 0 0 277.236 1.982 20 5 CDBDRN COC[C@H](O)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000766148252 576082307 /nfs/dbraw/zinc/08/23/07/576082307.db2.gz QZDSBBZSCWPEOD-JTQLQIEISA-N 0 0 289.671 1.299 20 5 CDBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000769040980 576323875 /nfs/dbraw/zinc/32/38/75/576323875.db2.gz AFEKBBUMXYCSRK-MRVPVSSYSA-N 0 0 299.304 1.809 20 5 CDBDRN Cc1cc(C(=O)NCCC[C@H](C)CO)c(N)c([N+](=O)[O-])c1 ZINC000759890053 576441383 /nfs/dbraw/zinc/44/13/83/576441383.db2.gz RERPMNOCPADLAY-VIFPVBQESA-N 0 0 295.339 1.624 20 5 CDBDRN Cc1c(COC(=O)C2(O)CCC2)cccc1[N+](=O)[O-] ZINC000740225913 576445654 /nfs/dbraw/zinc/44/56/54/576445654.db2.gz GKHNVNSYSFTEPE-UHFFFAOYSA-N 0 0 265.265 1.861 20 5 CDBDRN Nc1c(C(=O)OC[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000760771428 576508420 /nfs/dbraw/zinc/50/84/20/576508420.db2.gz GVGQMGAHCOODNZ-VIFPVBQESA-N 0 0 280.280 1.760 20 5 CDBDRN CCc1cc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)on1 ZINC000741217022 576543646 /nfs/dbraw/zinc/54/36/46/576543646.db2.gz NLZHZDPQYYVALC-UHFFFAOYSA-N 0 0 290.279 1.657 20 5 CDBDRN Cc1occc1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761363869 576572343 /nfs/dbraw/zinc/57/23/43/576572343.db2.gz DAQHSOSCQJHCRD-UHFFFAOYSA-N 0 0 292.247 1.515 20 5 CDBDRN C[NH+](C)CCNC(=S)NCCc1ccccc1[N+](=O)[O-] ZINC000741870399 576576993 /nfs/dbraw/zinc/57/69/93/576576993.db2.gz SQSAUSLXWXBQLH-UHFFFAOYSA-N 0 0 296.396 1.163 20 5 CDBDRN CCN(CC(=O)NC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000761883995 576603154 /nfs/dbraw/zinc/60/31/54/576603154.db2.gz BOKIWYHEEJJGAB-JTQLQIEISA-N 0 0 293.323 1.293 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)[C@H]1CCOC1 ZINC000762868607 576685839 /nfs/dbraw/zinc/68/58/39/576685839.db2.gz OHVNPWJPCXUXOP-JTQLQIEISA-N 0 0 293.275 1.666 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763101165 576712269 /nfs/dbraw/zinc/71/22/69/576712269.db2.gz YJUGRXWZFJTTFJ-VIFPVBQESA-N 0 0 294.263 1.186 20 5 CDBDRN COC[C@](C)(O)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000745314926 576724960 /nfs/dbraw/zinc/72/49/60/576724960.db2.gz CERDPIBWTYZLQH-LBPRGKRZSA-N 0 0 269.253 1.035 20 5 CDBDRN C[C@@H](C(=O)OCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000763409717 576735127 /nfs/dbraw/zinc/73/51/27/576735127.db2.gz UOEIEIZVCNNOPG-SNVBAGLBSA-N 0 0 283.280 1.250 20 5 CDBDRN COc1cc(C(=O)OC[C@@H]2COC(=O)O2)ccc1[N+](=O)[O-] ZINC000763954303 576768248 /nfs/dbraw/zinc/76/82/48/576768248.db2.gz HEABFYCNCDFUEK-MRVPVSSYSA-N 0 0 297.219 1.296 20 5 CDBDRN O=c1sccn1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000746610356 576786266 /nfs/dbraw/zinc/78/62/66/576786266.db2.gz FONYXPSVXTXHOT-UHFFFAOYSA-N 0 0 277.305 1.838 20 5 CDBDRN O=C(CNC(=O)C1CC1)OCc1ccc([N+](=O)[O-])cc1F ZINC000746954013 576853149 /nfs/dbraw/zinc/85/31/49/576853149.db2.gz FRFOWURAFHWKKX-UHFFFAOYSA-N 0 0 296.254 1.303 20 5 CDBDRN CC(C)(O)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746974324 576854244 /nfs/dbraw/zinc/85/42/44/576854244.db2.gz VCVKKHMTZUFSEX-UHFFFAOYSA-N 0 0 257.217 1.548 20 5 CDBDRN CN(C(=O)c1csc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000747998658 576891889 /nfs/dbraw/zinc/89/18/89/576891889.db2.gz BEJNEIXCYHJPAQ-UHFFFAOYSA-N 0 0 252.255 1.656 20 5 CDBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)n1 ZINC000748121202 576896527 /nfs/dbraw/zinc/89/65/27/576896527.db2.gz OZDSMXGKSJNCCJ-UHFFFAOYSA-N 0 0 296.670 1.697 20 5 CDBDRN CCCCOCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748129026 576896692 /nfs/dbraw/zinc/89/66/92/576896692.db2.gz CYWVQQYAXYDGPR-UHFFFAOYSA-N 0 0 271.273 1.151 20 5 CDBDRN Cc1nn(C)c(C(=O)OCC[C@@H]2CCCC2=O)c1[N+](=O)[O-] ZINC000748179772 576899432 /nfs/dbraw/zinc/89/94/32/576899432.db2.gz RYLADKVCUKGHKP-VIFPVBQESA-N 0 0 295.295 1.553 20 5 CDBDRN Cc1nn(CN2CCSCC2)c2ncc([N+](=O)[O-])cc12 ZINC000748450738 576912888 /nfs/dbraw/zinc/91/28/88/576912888.db2.gz VVNQCENEUNPVFK-UHFFFAOYSA-N 0 0 293.352 1.654 20 5 CDBDRN Cn1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000754748364 576913433 /nfs/dbraw/zinc/91/34/33/576913433.db2.gz IWWSVCJWYRXUTG-UHFFFAOYSA-N 0 0 267.266 1.747 20 5 CDBDRN C[C@@H](O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000748557622 576917195 /nfs/dbraw/zinc/91/71/95/576917195.db2.gz UEVXGNMNAQWGEE-SECBINFHSA-N 0 0 289.291 1.906 20 5 CDBDRN Cc1ccc(OC(=O)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000755250906 576937431 /nfs/dbraw/zinc/93/74/31/576937431.db2.gz WRUVGZYNQQMKEP-UHFFFAOYSA-N 0 0 261.237 1.856 20 5 CDBDRN O=[N+]([O-])c1ccnn1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749798968 576963399 /nfs/dbraw/zinc/96/33/99/576963399.db2.gz UWLRMYLMPDPAPL-MNOVXSKESA-N 0 0 266.301 1.107 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)OC1CCOCC1 ZINC000755835120 576964067 /nfs/dbraw/zinc/96/40/67/576964067.db2.gz DLHTZJHVWRVOEP-UHFFFAOYSA-N 0 0 281.264 1.939 20 5 CDBDRN CCN(CC(=O)N(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037737 576972950 /nfs/dbraw/zinc/97/29/50/576972950.db2.gz QQDIUFNXJIWXEE-CYBMUJFWSA-N 0 0 295.339 1.038 20 5 CDBDRN CC[C@@](C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000750579708 576996405 /nfs/dbraw/zinc/99/64/05/576996405.db2.gz VYDFVJXPCHHQLI-GFCCVEGCSA-N 0 0 299.714 1.632 20 5 CDBDRN O=[N+]([O-])c1c(N2CC(OCC(F)F)C2)nc2ccccn21 ZINC000751259119 577031666 /nfs/dbraw/zinc/03/16/66/577031666.db2.gz YCGJBBCAWMIEPG-UHFFFAOYSA-N 0 0 298.249 1.713 20 5 CDBDRN CC[C@H](C)NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1N ZINC000758956623 577143774 /nfs/dbraw/zinc/14/37/74/577143774.db2.gz HUGPUGGPKDYPMO-QMMMGPOBSA-N 0 0 295.295 1.249 20 5 CDBDRN COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCCC(C)(C)O ZINC000753448856 577169758 /nfs/dbraw/zinc/16/97/58/577169758.db2.gz PVZIZHMIBVLIGU-UHFFFAOYSA-N 0 0 298.295 1.503 20 5 CDBDRN CC(C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000820044196 598188957 /nfs/dbraw/zinc/18/89/57/598188957.db2.gz XBONWBMRQKUYEG-LLVKDONJSA-N 0 0 270.260 1.933 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C(=O)[O-] ZINC000820387708 598219921 /nfs/dbraw/zinc/21/99/21/598219921.db2.gz XIYWXTNMIKMSAT-QMMMGPOBSA-N 0 0 268.269 1.556 20 5 CDBDRN C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000828448765 601535513 /nfs/dbraw/zinc/53/55/13/601535513.db2.gz GRJJTKMKAWVMFF-GWCFXTLKSA-N 0 0 294.307 1.626 20 5 CDBDRN C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820717960 606417992 /nfs/dbraw/zinc/41/79/92/606417992.db2.gz ZHSPXFYRSCHNMA-SSDOTTSWSA-N 0 0 275.272 1.159 20 5 CDBDRN O=[N+]([O-])c1ccc(NC2CC=CC2)c(-c2nn[nH]n2)c1 ZINC000823639542 607120376 /nfs/dbraw/zinc/12/03/76/607120376.db2.gz CXCLYFZOSOPBGB-UHFFFAOYSA-N 0 0 272.268 1.905 20 5 CDBDRN CC(C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820076342 607160570 /nfs/dbraw/zinc/16/05/70/607160570.db2.gz HPUMJRIBHORYJP-UHFFFAOYSA-N 0 0 277.288 1.628 20 5 CDBDRN Cc1cccc(Oc2ccc(-c3nn[nH]n3)nn2)c1[N+](=O)[O-] ZINC000826301035 608437538 /nfs/dbraw/zinc/43/75/38/608437538.db2.gz PMZKKMCMNWDMKL-UHFFFAOYSA-N 0 0 299.250 1.666 20 5 CDBDRN CO[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)CCSC1 ZINC000889424434 617253953 /nfs/dbraw/zinc/25/39/53/617253953.db2.gz YJHLNJIDDGGTFA-LBPRGKRZSA-N 0 0 297.336 1.759 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890702393 617287987 /nfs/dbraw/zinc/28/79/87/617287987.db2.gz PUPJJPOUNPNIRU-NWDGAFQWSA-N 0 0 282.271 1.448 20 5 CDBDRN CCOC(=O)c1[nH]c(C)c(C(=O)OC[C@H](C)[N+](=O)[O-])c1C ZINC000813103791 617342772 /nfs/dbraw/zinc/34/27/72/617342772.db2.gz UARSHYGRPMCUTN-ZETCQYMHSA-N 0 0 298.295 1.630 20 5 CDBDRN O=C(N[C@@H]1COC[C@@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000891026392 617353354 /nfs/dbraw/zinc/35/33/54/617353354.db2.gz CBUBMEWGKWFWQK-MWLCHTKSSA-N 0 0 294.282 1.889 20 5 CDBDRN CC(=O)NC1CCC(N(C)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893148570 617411552 /nfs/dbraw/zinc/41/15/52/617411552.db2.gz SAEJCJQDYVQDTO-UHFFFAOYSA-N 0 0 295.343 1.212 20 5 CDBDRN C[C@@H](CC(=O)Nc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCO1 ZINC000891344632 617441088 /nfs/dbraw/zinc/44/10/88/617441088.db2.gz KPMQAXKOPNJAKJ-IUCAKERBSA-N 0 0 282.300 1.472 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@@H]1CCCOC1 ZINC000891346022 617441967 /nfs/dbraw/zinc/44/19/67/617441967.db2.gz SRGRFYZAXNAPTL-QMMMGPOBSA-N 0 0 268.273 1.084 20 5 CDBDRN Cn1cnc(/C=C\c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1 ZINC000924078733 617471933 /nfs/dbraw/zinc/47/19/33/617471933.db2.gz NJSQBNIQCAJFGD-PLNGDYQASA-N 0 0 291.311 1.961 20 5 CDBDRN CN(C)C(=O)[C@@H]1CCC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892541829 617490750 /nfs/dbraw/zinc/49/07/50/617490750.db2.gz HHOOJEIUSOBMFO-ZJUUUORDSA-N 0 0 295.343 1.387 20 5 CDBDRN Cc1nc(CCNc2c([N+](=O)[O-])cnn2C)cs1 ZINC000891675468 617533443 /nfs/dbraw/zinc/53/34/43/617533443.db2.gz 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O=C(Cc1cccc([N+](=O)[O-])c1)N1CCn2cccc2C1 ZINC000928963341 724504915 /nfs/dbraw/zinc/50/49/15/724504915.db2.gz CJIVHGTYDVKMTP-UHFFFAOYSA-N 0 0 285.303 1.981 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1C(=O)C[C@H](C)C1=O ZINC000871736342 724509754 /nfs/dbraw/zinc/50/97/54/724509754.db2.gz HSDLAPWKSJBBHQ-QMMMGPOBSA-N 0 0 278.264 1.498 20 5 CDBDRN Cc1nn(CN2CCC(C)(F)CC2)cc1[N+](=O)[O-] ZINC000872691651 725553477 /nfs/dbraw/zinc/55/34/77/725553477.db2.gz OMNBKZYCSDAHKN-UHFFFAOYSA-N 0 0 256.281 1.881 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCO[C@H]1CCOC1 ZINC000885736315 724525753 /nfs/dbraw/zinc/52/57/53/724525753.db2.gz XVGIACNISOIIQL-LBPRGKRZSA-N 0 0 294.307 1.439 20 5 CDBDRN O=[N+]([O-])c1cn(CC2(O)CCC2)c(Br)n1 ZINC000853064980 725661167 /nfs/dbraw/zinc/66/11/67/725661167.db2.gz NVSWADOHSQQQJZ-UHFFFAOYSA-N 0 0 276.090 1.469 20 5 CDBDRN CCCN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669514 724529251 /nfs/dbraw/zinc/52/92/51/724529251.db2.gz NQFMTGLFZOJVGI-UHFFFAOYSA-N 0 0 295.314 1.902 20 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XTJHENHDDNKVME-ZIAGYGMSSA-N 0 0 287.319 1.344 20 5 CDBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(F)CC1 ZINC000882608451 724588327 /nfs/dbraw/zinc/58/83/27/724588327.db2.gz FSJDLKVNDTXABK-UHFFFAOYSA-N 0 0 289.288 1.112 20 5 CDBDRN CCn1ncc2cc(C(=O)OCCC[N+](=O)[O-])c(C)nc21 ZINC000860920818 724599307 /nfs/dbraw/zinc/59/93/07/724599307.db2.gz IZZMDFWCURFBLG-UHFFFAOYSA-N 0 0 292.295 1.583 20 5 CDBDRN CCOCC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000777034944 724605637 /nfs/dbraw/zinc/60/56/37/724605637.db2.gz YYBLAZISUJYAQN-UHFFFAOYSA-N 0 0 267.237 1.357 20 5 CDBDRN CC(=O)N1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001057072379 724612127 /nfs/dbraw/zinc/61/21/27/724612127.db2.gz KBAUADZDFNGEFC-UHFFFAOYSA-N 0 0 278.312 1.357 20 5 CDBDRN CC[C@H](C)CONC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819327558 724614425 /nfs/dbraw/zinc/61/44/25/724614425.db2.gz FRPXJWHGYZZYGY-WCQYABFASA-N 0 0 298.339 1.902 20 5 CDBDRN C[C@@]1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000825905490 724616895 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CCOc1cc(N2C[C@H]3C[C@@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000782404885 724710543 /nfs/dbraw/zinc/71/05/43/724710543.db2.gz DKIYXBRTNPSWSZ-YGRLFVJLSA-N 0 0 278.308 1.812 20 5 CDBDRN CCc1[nH]nc(C(=O)O[C@H](C)c2cnccn2)c1[N+](=O)[O-] ZINC000795615284 724720918 /nfs/dbraw/zinc/72/09/18/724720918.db2.gz LITRMIUPVCAGSY-SSDOTTSWSA-N 0 0 291.267 1.588 20 5 CDBDRN CC(C)(Cn1cc(C(=O)Cc2ccccc2)nn1)[N+](=O)[O-] ZINC000864642808 724761798 /nfs/dbraw/zinc/76/17/98/724761798.db2.gz WIZRPAJTPZTUHF-UHFFFAOYSA-N 0 0 288.307 1.759 20 5 CDBDRN C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000780914044 724772345 /nfs/dbraw/zinc/77/23/45/724772345.db2.gz RURTZGNUTQHMHJ-RKDXNWHRSA-N 0 0 285.325 1.457 20 5 CDBDRN CC(C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000036189877 724791433 /nfs/dbraw/zinc/79/14/33/724791433.db2.gz OYWJLSVIXLKGAQ-UHFFFAOYSA-N 0 0 295.314 1.900 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000884620555 724797508 /nfs/dbraw/zinc/79/75/08/724797508.db2.gz 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286.328 1.280 20 5 CDBDRN CC(C)(O)Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000880957424 725318204 /nfs/dbraw/zinc/31/82/04/725318204.db2.gz BKMUMCBQFXRSQO-UHFFFAOYSA-N 0 0 276.296 1.548 20 5 CDBDRN CSC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000872627723 725320270 /nfs/dbraw/zinc/32/02/70/725320270.db2.gz JFFJYAIKHMBZJT-UHFFFAOYSA-N 0 0 256.331 1.576 20 5 CDBDRN O=C(NC1CC(=O)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820851350 725324941 /nfs/dbraw/zinc/32/49/41/725324941.db2.gz SNDHHYKADZNXSD-QWHCGFSZSA-N 0 0 274.276 1.546 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC000835466428 725335645 /nfs/dbraw/zinc/33/56/45/725335645.db2.gz IWNRISZMCFVKKB-QMMMGPOBSA-N 0 0 279.252 1.502 20 5 CDBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1CO ZINC000856781712 725342067 /nfs/dbraw/zinc/34/20/67/725342067.db2.gz VQYVIUKISPWZQY-DTWKUNHWSA-N 0 0 292.295 1.586 20 5 CDBDRN COC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000797132627 725344027 /nfs/dbraw/zinc/34/40/27/725344027.db2.gz 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/nfs/dbraw/zinc/69/41/70/374694170.db2.gz UQHWYFNDTLVSIW-UHFFFAOYSA-N 0 0 291.351 1.736 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])c1ccc(C(N)=O)nn1 ZINC000078953675 374745906 /nfs/dbraw/zinc/74/59/06/374745906.db2.gz FEQQICYLJNMNRQ-UHFFFAOYSA-N 0 0 287.279 1.120 20 5 CDBDRN CCc1ccc(C(=O)N[C@@H](C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000078971364 374747532 /nfs/dbraw/zinc/74/75/32/374747532.db2.gz ROCNOQRUDBCHLB-GFCCVEGCSA-N 0 0 293.323 1.397 20 5 CDBDRN CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000276881792 374756394 /nfs/dbraw/zinc/75/63/94/374756394.db2.gz MTAYNLFLMWIWOF-AWEZNQCLSA-N 0 0 295.339 1.936 20 5 CDBDRN CCOc1cc(CN(CC)CC(N)=O)ccc1[N+](=O)[O-] ZINC000276900708 374758696 /nfs/dbraw/zinc/75/86/96/374758696.db2.gz LSKURFCIMBHEIT-UHFFFAOYSA-N 0 0 281.312 1.301 20 5 CDBDRN COCCC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276930880 374760028 /nfs/dbraw/zinc/76/00/28/374760028.db2.gz UMBUCLKQJYTMON-UHFFFAOYSA-N 0 0 296.279 1.665 20 5 CDBDRN CCOCC[C@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000277606026 374798259 /nfs/dbraw/zinc/79/82/59/374798259.db2.gz XLWHYSSFGRHWFU-VIFPVBQESA-N 0 0 273.260 1.900 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000277670743 374801943 /nfs/dbraw/zinc/80/19/43/374801943.db2.gz PQYGKPGTNSEMAU-JTQLQIEISA-N 0 0 298.364 1.774 20 5 CDBDRN CS(=O)(=O)CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278163200 374832504 /nfs/dbraw/zinc/83/25/04/374832504.db2.gz CFXXUPHWIRCSGK-UHFFFAOYSA-N 0 0 299.352 1.409 20 5 CDBDRN CCN(CC(=O)OC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000042300040 374818356 /nfs/dbraw/zinc/81/83/56/374818356.db2.gz UUTPYKALQMSCBB-UHFFFAOYSA-N 0 0 266.253 1.230 20 5 CDBDRN COCCN1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000278078684 374829173 /nfs/dbraw/zinc/82/91/73/374829173.db2.gz NTFXCPOXYRMQAG-UHFFFAOYSA-N 0 0 293.279 1.318 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@]1(CCO)CCOC1 ZINC000278047734 374830020 /nfs/dbraw/zinc/83/00/20/374830020.db2.gz LQRLOZHESSQLOF-CYBMUJFWSA-N 0 0 295.295 1.258 20 5 CDBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC=C(F)C1 ZINC000278152877 374833701 /nfs/dbraw/zinc/83/37/01/374833701.db2.gz XDSFFBVFISBARW-UHFFFAOYSA-N 0 0 267.216 1.395 20 5 CDBDRN CCNC(=O)[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000094659522 374843810 /nfs/dbraw/zinc/84/38/10/374843810.db2.gz GLQKGNCKLGXKGG-VIFPVBQESA-N 0 0 251.286 1.840 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000094659686 374844789 /nfs/dbraw/zinc/84/47/89/374844789.db2.gz ZQSWCFTUOQQMGS-JTQLQIEISA-N 0 0 284.337 1.892 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@@H]2CCCO2)n1 ZINC000331171063 374899753 /nfs/dbraw/zinc/89/97/53/374899753.db2.gz FTJOPUGRHFWESK-UWVGGRQHSA-N 0 0 296.327 1.499 20 5 CDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCCO1 ZINC000330453070 374853513 /nfs/dbraw/zinc/85/35/13/374853513.db2.gz LCRIDVONKOSBEO-KOLCDFICSA-N 0 0 267.285 1.610 20 5 CDBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCOC1 ZINC000279435319 374903576 /nfs/dbraw/zinc/90/35/76/374903576.db2.gz 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ZINC000283626253 375120335 /nfs/dbraw/zinc/12/03/35/375120335.db2.gz OPTNWKDTTMQRET-UHFFFAOYSA-N 0 0 288.307 1.492 20 5 CDBDRN COCCN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[C@H](C)C1 ZINC000302737017 375244648 /nfs/dbraw/zinc/24/46/48/375244648.db2.gz XGQYFUORNBZXRK-UWVGGRQHSA-N 0 0 295.343 1.608 20 5 CDBDRN CCC[C@@H](O)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350889066 375251823 /nfs/dbraw/zinc/25/18/23/375251823.db2.gz IGNVDOHLRUROEL-SSDOTTSWSA-N 0 0 281.272 1.082 20 5 CDBDRN C[C@H]1C[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000028269583 375226524 /nfs/dbraw/zinc/22/65/24/375226524.db2.gz LLQURCLEVJUFOQ-UWVGGRQHSA-N 0 0 266.301 1.296 20 5 CDBDRN COc1cc(N(C)[C@@H]2CCNC2=O)c(F)cc1[N+](=O)[O-] ZINC000351502949 375302281 /nfs/dbraw/zinc/30/22/81/375302281.db2.gz QAMZEZKQOCFHNM-MRVPVSSYSA-N 0 0 283.259 1.067 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1C=C[C@@H](CO)C1 ZINC000351603931 375310802 /nfs/dbraw/zinc/31/08/02/375310802.db2.gz CJCZOVORMHWSGL-BDAKNGLRSA-N 0 0 295.270 1.792 20 5 CDBDRN COCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000162320178 375319738 /nfs/dbraw/zinc/31/97/38/375319738.db2.gz IMVDSALIOGUYRT-UHFFFAOYSA-N 0 0 266.297 1.551 20 5 CDBDRN CO[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000350975586 375259691 /nfs/dbraw/zinc/25/96/91/375259691.db2.gz FKHZFIFHWJPLBX-QWRGUYRKSA-N 0 0 294.311 1.259 20 5 CDBDRN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000351762531 375328460 /nfs/dbraw/zinc/32/84/60/375328460.db2.gz ZOLVQSHODPTGCP-MADCSZMMSA-N 0 0 272.251 1.686 20 5 CDBDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000351800774 375330136 /nfs/dbraw/zinc/33/01/36/375330136.db2.gz VIFIKGLGSLDJJV-JQWIXIFHSA-N 0 0 295.339 1.556 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCOC1 ZINC000048659139 375334584 /nfs/dbraw/zinc/33/45/84/375334584.db2.gz SGFRAFJIQJXIMQ-LLVKDONJSA-N 0 0 278.308 1.680 20 5 CDBDRN Cc1csc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000344728258 375358265 /nfs/dbraw/zinc/35/82/65/375358265.db2.gz 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/nfs/dbraw/zinc/44/44/45/379444445.db2.gz ZHMFLMNLVWLQEH-NSHDSACASA-N 0 0 298.368 1.391 20 5 CDBDRN Cc1cnc(N(C)[C@@H](C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000278967955 194235022 /nfs/dbraw/zinc/23/50/22/194235022.db2.gz ZBGUNHGFTMPCDF-LBPRGKRZSA-N 0 0 294.355 1.455 20 5 CDBDRN COC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278985076 194241417 /nfs/dbraw/zinc/24/14/17/194241417.db2.gz DHMTYKXSFAGUJU-PWSUYJOCSA-N 0 0 281.312 1.904 20 5 CDBDRN COCCOCCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000266826734 190282973 /nfs/dbraw/zinc/28/29/73/190282973.db2.gz BGFIHMNLIZIHCQ-UHFFFAOYSA-N 0 0 287.291 1.781 20 5 CDBDRN O=C(NCC1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042020123 379524945 /nfs/dbraw/zinc/52/49/45/379524945.db2.gz VGGLEZATOBXLOP-UHFFFAOYSA-N 0 0 277.280 1.450 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000266909920 190290142 /nfs/dbraw/zinc/29/01/42/190290142.db2.gz CRWWWWDENLWSCS-NWDGAFQWSA-N 0 0 266.301 1.045 20 5 CDBDRN Cc1nnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)[nH]1 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COC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000267809107 190355782 /nfs/dbraw/zinc/35/57/82/190355782.db2.gz ZSIBTTHNXVLZCX-LBPRGKRZSA-N 0 0 292.291 1.585 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCCNC(C)=O ZINC000288274270 197041742 /nfs/dbraw/zinc/04/17/42/197041742.db2.gz ZLHLVJLSDWMNSY-UHFFFAOYSA-N 0 0 269.305 1.058 20 5 CDBDRN CC(C)[C@@H](CCO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268100406 190376410 /nfs/dbraw/zinc/37/64/10/190376410.db2.gz BQEPSAXLWPYOTC-SNVBAGLBSA-N 0 0 299.302 1.453 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CCO)C(C)C ZINC000268101819 190376509 /nfs/dbraw/zinc/37/65/09/190376509.db2.gz CCMLURHWGKNDLT-LLVKDONJSA-N 0 0 298.343 1.013 20 5 CDBDRN CNC(=O)CCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000268146334 190380793 /nfs/dbraw/zinc/38/07/93/190380793.db2.gz QTQWOUNFZHEHEU-UHFFFAOYSA-N 0 0 251.286 1.841 20 5 CDBDRN CCNS(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268310201 190394490 /nfs/dbraw/zinc/39/44/90/190394490.db2.gz ZDZSULCGJFGEBF-UHFFFAOYSA-N 0 0 293.732 1.192 20 5 CDBDRN CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268601315 190414479 /nfs/dbraw/zinc/41/44/79/190414479.db2.gz MIBXYKANCBWMIN-SKDRFNHKSA-N 0 0 266.297 1.732 20 5 CDBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000279245025 194350161 /nfs/dbraw/zinc/35/01/61/194350161.db2.gz HLEIKDYOGRYUAJ-LLVKDONJSA-N 0 0 282.271 1.577 20 5 CDBDRN CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279302300 194376547 /nfs/dbraw/zinc/37/65/47/194376547.db2.gz ZKYOFYLQXWPKIR-QMMMGPOBSA-N 0 0 299.302 1.301 20 5 CDBDRN COC[C@H](O)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450340410 251231474 /nfs/dbraw/zinc/23/14/74/251231474.db2.gz FMYFPJPDNWKTGS-SECBINFHSA-N 0 0 277.280 1.562 20 5 CDBDRN Cc1nc(NC[C@]2(C)CCOC2)ncc1[N+](=O)[O-] ZINC000450333806 251228265 /nfs/dbraw/zinc/22/82/65/251228265.db2.gz XSLUFMDFLDKOBJ-NSHDSACASA-N 0 0 252.274 1.532 20 5 CDBDRN Cc1nc(N[C@@H]2CC(=O)N3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000450509885 251318264 /nfs/dbraw/zinc/31/82/64/251318264.db2.gz 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O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](O)C1 ZINC000276592032 280361575 /nfs/dbraw/zinc/36/15/75/280361575.db2.gz JUOTVKKEEZVVRI-SNVBAGLBSA-N 0 0 259.265 1.714 20 5 CDBDRN O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H](O)C3)c2c1 ZINC000413121337 280371472 /nfs/dbraw/zinc/37/14/72/280371472.db2.gz GCWJZTQTTQGEAO-LLVKDONJSA-N 0 0 259.265 1.714 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](O)C3)c21 ZINC000357326082 280373893 /nfs/dbraw/zinc/37/38/93/280373893.db2.gz WOGSLXYWNFSPMF-QMMMGPOBSA-N 0 0 260.253 1.109 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@]3(CCSC3)C2)nc1 ZINC000273988420 280382239 /nfs/dbraw/zinc/38/22/39/280382239.db2.gz RIYCHVSBFRLIOD-SKDRFNHKSA-N 0 0 296.352 1.851 20 5 CDBDRN O=c1[nH]cnc2cc(N[C@@H]3CCOC3)c([N+](=O)[O-])cc21 ZINC000161823102 280388065 /nfs/dbraw/zinc/38/80/65/280388065.db2.gz GJFXCLWJSXXRNP-SSDOTTSWSA-N 0 0 276.252 1.032 20 5 CDBDRN Cc1ncc2c(n1)CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000517342283 280998431 /nfs/dbraw/zinc/99/84/31/280998431.db2.gz 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O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCCS(=O)(=O)C1 ZINC000069145038 527320431 /nfs/dbraw/zinc/32/04/31/527320431.db2.gz MBWCZGVAUDIDBR-MRVPVSSYSA-N 0 0 288.300 1.723 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2ncn(C[C@H]3CCOC3)n2)cc1 ZINC000339221571 527344168 /nfs/dbraw/zinc/34/41/68/527344168.db2.gz IOVQSGCQSMOXIB-SNVBAGLBSA-N 0 0 274.280 1.890 20 5 CDBDRN O=C(Cn1cccc([N+](=O)[O-])c1=O)c1cccs1 ZINC000050445815 527382657 /nfs/dbraw/zinc/38/26/57/527382657.db2.gz XMWGLLDRWONGQB-UHFFFAOYSA-N 0 0 264.262 1.701 20 5 CDBDRN O=[N+]([O-])c1cccc(OCCN2CC[C@@](F)(CO)C2)c1 ZINC000338623979 527391673 /nfs/dbraw/zinc/39/16/73/527391673.db2.gz JCDDOTDPLFTUNL-ZDUSSCGKSA-N 0 0 284.287 1.380 20 5 CDBDRN Cn1ccnc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517457 527438090 /nfs/dbraw/zinc/43/80/90/527438090.db2.gz JHKZWMFUKRORGO-UHFFFAOYSA-N 0 0 261.237 1.720 20 5 CDBDRN O=c1c([N+](=O)[O-])cccn1CCOc1ccccc1 ZINC000161674993 527454566 /nfs/dbraw/zinc/45/45/66/527454566.db2.gz AQGPZQANBRPWCI-UHFFFAOYSA-N 0 0 260.249 1.836 20 5 CDBDRN Cc1nn(C)c(-c2nc(-c3ccco3)no2)c1[N+](=O)[O-] ZINC000340659810 527596595 /nfs/dbraw/zinc/59/65/95/527596595.db2.gz FLCBEVFHUNIPQP-UHFFFAOYSA-N 0 0 275.224 1.947 20 5 CDBDRN Cn1ncnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000157493343 527636983 /nfs/dbraw/zinc/63/69/83/527636983.db2.gz UQNXTGPWOFHEMO-UHFFFAOYSA-N 0 0 279.231 1.044 20 5 CDBDRN CC(C)Oc1cc(C(=O)NC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000411361411 528101645 /nfs/dbraw/zinc/10/16/45/528101645.db2.gz HFZZYFMUMOBJBW-VIFPVBQESA-N 0 0 282.296 1.493 20 5 CDBDRN CC(C)NC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291629943 529133928 /nfs/dbraw/zinc/13/39/28/529133928.db2.gz LJTNFRZMTSGRST-UHFFFAOYSA-N 0 0 289.291 1.434 20 5 CDBDRN CC[C@@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421220894 535514953 /nfs/dbraw/zinc/51/49/53/535514953.db2.gz PKIBWBBBJJOVQN-SECBINFHSA-N 0 0 279.296 1.696 20 5 CDBDRN CCOC(=O)c1cc(NC[C@H](O)CC)ccc1[N+](=O)[O-] ZINC000420622719 535681362 /nfs/dbraw/zinc/68/13/62/535681362.db2.gz 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O=[N+]([O-])c1ncccc1N1CCC(C2OCCO2)CC1 ZINC000726787724 574506069 /nfs/dbraw/zinc/50/60/69/574506069.db2.gz VAVFPKDDTGQYIB-UHFFFAOYSA-N 0 0 279.296 1.579 20 5 CDBDRN CN1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000727710581 574595952 /nfs/dbraw/zinc/59/59/52/574595952.db2.gz ZJZYZBSMUYLPHT-ZETCQYMHSA-N 0 0 297.698 1.665 20 5 CDBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1=COCC1 ZINC000727755348 574597612 /nfs/dbraw/zinc/59/76/12/574597612.db2.gz UHSJHECFPIDSNO-UHFFFAOYSA-N 0 0 277.280 1.427 20 5 CDBDRN COC(=O)COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000728155703 574618145 /nfs/dbraw/zinc/61/81/45/574618145.db2.gz XHAGIPVQZGKKGA-UHFFFAOYSA-N 0 0 257.173 1.064 20 5 CDBDRN O=C(COC(=O)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000728343900 574628901 /nfs/dbraw/zinc/62/89/01/574628901.db2.gz PPVFKXJMAJJQJZ-NSHDSACASA-N 0 0 293.275 1.747 20 5 CDBDRN CCCNC(=O)[C@@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000728923890 574674517 /nfs/dbraw/zinc/67/45/17/574674517.db2.gz RFEBTILKDYCGFV-SNVBAGLBSA-N 0 0 294.307 1.595 20 5 CDBDRN CN(CC(=O)[O-])Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000739632422 574835110 /nfs/dbraw/zinc/83/51/10/574835110.db2.gz WAGOFEXZQKGIHY-UHFFFAOYSA-N 0 0 297.292 1.846 20 5 CDBDRN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCNC1=O ZINC000758284370 574916155 /nfs/dbraw/zinc/91/61/55/574916155.db2.gz FBQUXQVMUGEXSD-SNVBAGLBSA-N 0 0 269.688 1.573 20 5 CDBDRN O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CC1[N+](=O)[O-] ZINC000048918819 570299496 /nfs/dbraw/zinc/29/94/96/570299496.db2.gz LUEAZYMKRHNZEY-RKDXNWHRSA-N 0 0 290.304 1.809 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)[C@@H]1CCOC1 ZINC000762840767 575012097 /nfs/dbraw/zinc/01/20/97/575012097.db2.gz HKIMFOWWQXFJND-SNVBAGLBSA-N 0 0 293.275 1.666 20 5 CDBDRN COCCOCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731548108 575053489 /nfs/dbraw/zinc/05/34/89/575053489.db2.gz DLAKMYYKYNZTCL-UHFFFAOYSA-N 0 0 287.243 1.554 20 5 CDBDRN CO[C@H](CNc1ncccc1[N+](=O)[O-])C(F)(F)F ZINC000733303965 575111632 /nfs/dbraw/zinc/11/16/32/575111632.db2.gz VBYBBJCSKHJGSM-SSDOTTSWSA-N 0 0 265.191 1.979 20 5 CDBDRN Cc1cc(C(=O)NC[C@@]2(C)CCOC2)c(N)c([N+](=O)[O-])c1 ZINC000733363643 575117079 /nfs/dbraw/zinc/11/70/79/575117079.db2.gz AWWHHPDGICQKDB-CQSZACIVSA-N 0 0 293.323 1.642 20 5 CDBDRN O=C(OCCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000733384314 575118717 /nfs/dbraw/zinc/11/87/17/575118717.db2.gz BAVLOCCNMHRBLY-UHFFFAOYSA-N 0 0 292.291 1.764 20 5 CDBDRN CC(C)OCCCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000733424349 575122028 /nfs/dbraw/zinc/12/20/28/575122028.db2.gz CVYJBZRPIQFHLV-UHFFFAOYSA-N 0 0 270.285 1.905 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H]1C=CCCC1 ZINC000733434018 575123705 /nfs/dbraw/zinc/12/37/05/575123705.db2.gz GZZROLWQRIZRNT-JTQLQIEISA-N 0 0 251.242 1.443 20 5 CDBDRN C[C@@H]1CC(=O)NCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761057132 576539070 /nfs/dbraw/zinc/53/90/70/576539070.db2.gz PTDAGKURDDWMKN-SECBINFHSA-N 0 0 297.742 1.959 20 5 CDBDRN CC(C)C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769710275 575376113 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ZINC000773318230 575801007 /nfs/dbraw/zinc/80/10/07/575801007.db2.gz NJLGMOKIWGHCSQ-JTQLQIEISA-N 0 0 295.295 1.338 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NOc1ccccc1 ZINC000773462007 575812554 /nfs/dbraw/zinc/81/25/54/575812554.db2.gz PHHXBPXDQGGVQI-UHFFFAOYSA-N 0 0 276.252 1.292 20 5 CDBDRN Cc1ccc(OCC(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000131585982 575814257 /nfs/dbraw/zinc/81/42/57/575814257.db2.gz JAGILAWTLQZHLZ-UHFFFAOYSA-N 0 0 264.281 1.903 20 5 CDBDRN O=C(OCc1nncn1C1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000773858438 575841908 /nfs/dbraw/zinc/84/19/08/575841908.db2.gz KVDRPGGHCCVYFS-UHFFFAOYSA-N 0 0 277.240 1.206 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](O)c1cccnc1 ZINC000764585795 575922969 /nfs/dbraw/zinc/92/29/69/575922969.db2.gz XNZIVKLNMANXFS-GFCCVEGCSA-N 0 0 273.248 1.662 20 5 CDBDRN C[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000764797128 575947918 /nfs/dbraw/zinc/94/79/18/575947918.db2.gz RIDDOOIHZHNXFQ-QMMMGPOBSA-N 0 0 265.225 1.689 20 5 CDBDRN CC(C)(C)[C@H](O)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000765223796 575999590 /nfs/dbraw/zinc/99/95/90/575999590.db2.gz DQZDVYCNZOAPPO-SNVBAGLBSA-N 0 0 292.295 1.817 20 5 CDBDRN C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000765491867 576030008 /nfs/dbraw/zinc/03/00/08/576030008.db2.gz CMGNXIOTIXZTHC-CBAPKCEASA-N 0 0 294.267 1.153 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1CCCOC1 ZINC000766307836 576093935 /nfs/dbraw/zinc/09/39/35/576093935.db2.gz MKGODZWNEGAGCV-NSHDSACASA-N 0 0 297.311 1.460 20 5 CDBDRN Nc1c(C(=O)NOCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000766762518 576132425 /nfs/dbraw/zinc/13/24/25/576132425.db2.gz LVBYCLJLZXELHE-UHFFFAOYSA-N 0 0 279.174 1.401 20 5 CDBDRN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)C ZINC000766989834 576152238 /nfs/dbraw/zinc/15/22/38/576152238.db2.gz WVQDIJYCMJWMLC-QMMMGPOBSA-N 0 0 268.317 1.740 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CCCNC1=O ZINC000767264070 576173523 /nfs/dbraw/zinc/17/35/23/576173523.db2.gz FANDAXBKFONPLT-NSHDSACASA-N 0 0 294.263 1.039 20 5 CDBDRN COc1ccc(COC(=O)c2cc([N+](=O)[O-])cn2C)nc1 ZINC000767472793 576197077 /nfs/dbraw/zinc/19/70/77/576197077.db2.gz XBWCYJFLYFRSKS-UHFFFAOYSA-N 0 0 291.263 1.694 20 5 CDBDRN O=c1c([N+](=O)[O-])cn(Cc2ccccn2)cc1[N+](=O)[O-] ZINC000768463217 576287175 /nfs/dbraw/zinc/28/71/75/576287175.db2.gz QJWLSHXXQNXCNI-UHFFFAOYSA-N 0 0 276.208 1.108 20 5 CDBDRN O=C(Cc1ccc(O)cc1)OCCn1cc([N+](=O)[O-])cn1 ZINC000768605711 576299555 /nfs/dbraw/zinc/29/95/55/576299555.db2.gz VPPLQVNNDJQEKD-UHFFFAOYSA-N 0 0 291.263 1.283 20 5 CDBDRN CCN1CCOC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000769078003 576327547 /nfs/dbraw/zinc/32/75/47/576327547.db2.gz OGUPOSAJGDMXLD-ZDUSSCGKSA-N 0 0 294.307 1.359 20 5 CDBDRN Cc1nc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)no1 ZINC000759509230 576395987 /nfs/dbraw/zinc/39/59/87/576395987.db2.gz IQNSXBCQROYBGV-UHFFFAOYSA-N 0 0 292.251 1.534 20 5 CDBDRN Cc1ccc(C(=O)OCCOCCO)cc1[N+](=O)[O-] ZINC000740182297 576436274 /nfs/dbraw/zinc/43/62/74/576436274.db2.gz CQCKLFUJHJHAOX-UHFFFAOYSA-N 0 0 269.253 1.069 20 5 CDBDRN COc1ccc(COC(=O)C2(O)CCC2)cc1[N+](=O)[O-] ZINC000740225254 576445559 /nfs/dbraw/zinc/44/55/59/576445559.db2.gz JABCCUDOUOWMRS-UHFFFAOYSA-N 0 0 281.264 1.562 20 5 CDBDRN CCc1nnc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000760301082 576474322 /nfs/dbraw/zinc/47/43/22/576474322.db2.gz MWIDYTOKTFHCCN-UHFFFAOYSA-N 0 0 290.279 1.561 20 5 CDBDRN CSC[C@@H](CCO)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000740870494 576519882 /nfs/dbraw/zinc/51/98/82/576519882.db2.gz VXLDNNZIQJTAKC-SSDOTTSWSA-N 0 0 298.324 1.657 20 5 CDBDRN O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CCNC(=O)C1 ZINC000761215746 576560418 /nfs/dbraw/zinc/56/04/18/576560418.db2.gz RZUVDRYXDXPSCE-VIFPVBQESA-N 0 0 278.264 1.164 20 5 CDBDRN O=C(CCC1CC1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761401532 576574104 /nfs/dbraw/zinc/57/41/04/576574104.db2.gz LUCFWZNQMGNFPA-UHFFFAOYSA-N 0 0 280.280 1.490 20 5 CDBDRN Cc1cc(C(=O)OCc2ncnn2C)ccc1[N+](=O)[O-] ZINC000761734920 576591152 /nfs/dbraw/zinc/59/11/52/576591152.db2.gz OZQZHBVIWODMNT-UHFFFAOYSA-N 0 0 276.252 1.389 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCCC1CC1 ZINC000744283189 576672781 /nfs/dbraw/zinc/67/27/81/576672781.db2.gz UCMFKTGAXKWGST-UHFFFAOYSA-N 0 0 253.258 1.443 20 5 CDBDRN O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000762920177 576692652 /nfs/dbraw/zinc/69/26/52/576692652.db2.gz OSVVTKRCUCLXIC-QMMMGPOBSA-N 0 0 297.238 1.496 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1C[C@H]1CC2(CC2)C(=O)O1 ZINC000762960536 576696543 /nfs/dbraw/zinc/69/65/43/576696543.db2.gz FWZZJTLVYBGGML-MRVPVSSYSA-N 0 0 251.242 1.195 20 5 CDBDRN O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1ccc([N+](=O)[O-])o1 ZINC000763047881 576703949 /nfs/dbraw/zinc/70/39/49/576703949.db2.gz DZXAFCIUFWEGNT-ZETCQYMHSA-N 0 0 281.220 1.440 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)OCCn1ccnc1 ZINC000763111567 576713878 /nfs/dbraw/zinc/71/38/78/576713878.db2.gz AANBXJFUULQNBP-UHFFFAOYSA-N 0 0 276.252 1.231 20 5 CDBDRN COC(=O)c1ccc(OC(=O)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000763705208 576751029 /nfs/dbraw/zinc/75/10/29/576751029.db2.gz IXXZAMVKAFNTTC-XCBNKYQSSA-N 0 0 279.248 1.943 20 5 CDBDRN COC(=O)c1ccc(OC(=O)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000763708878 576751279 /nfs/dbraw/zinc/75/12/79/576751279.db2.gz RURIVDOXXMGAFF-ZETCQYMHSA-N 0 0 283.236 1.322 20 5 CDBDRN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000763719816 576752076 /nfs/dbraw/zinc/75/20/76/576752076.db2.gz JSNNRTRWSAFLCI-SECBINFHSA-N 0 0 286.671 1.669 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OC/C(Cl)=C/Cl ZINC000763949443 576767670 /nfs/dbraw/zinc/76/76/70/576767670.db2.gz UNJGIRMBIVZQLD-UQCOIBPSSA-N 0 0 294.094 1.962 20 5 CDBDRN COCC(COC)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000764038967 576775446 /nfs/dbraw/zinc/77/54/46/576775446.db2.gz VIULVZRHWAGOAZ-JTQLQIEISA-N 0 0 297.307 1.903 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CCOC1=O ZINC000754078294 576878095 /nfs/dbraw/zinc/87/80/95/576878095.db2.gz MKKZPVQBKLGZQR-QMMMGPOBSA-N 0 0 294.263 1.287 20 5 CDBDRN Cc1cc2c(cc1[N+](=O)[O-])N(CCN1CCOC1=O)CC2 ZINC000754109816 576880667 /nfs/dbraw/zinc/88/06/67/576880667.db2.gz OIXAFAKJGDWRCT-UHFFFAOYSA-N 0 0 291.307 1.718 20 5 CDBDRN O=C(OCCN1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000747699858 576881144 /nfs/dbraw/zinc/88/11/44/576881144.db2.gz HFGLAYXMHLKHGP-UHFFFAOYSA-N 0 0 298.270 1.223 20 5 CDBDRN Cc1ccccc1CC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748110748 576896205 /nfs/dbraw/zinc/89/62/05/576896205.db2.gz XJJKOEYFNPTZEJ-UHFFFAOYSA-N 0 0 289.291 1.886 20 5 CDBDRN Cc1ccc(C(=O)OCCn2ccc([N+](=O)[O-])n2)c(=O)[nH]1 ZINC000748118852 576896371 /nfs/dbraw/zinc/89/63/71/576896371.db2.gz MOMFGIFXXUWWJM-UHFFFAOYSA-N 0 0 292.251 1.057 20 5 CDBDRN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000748350044 576907608 /nfs/dbraw/zinc/90/76/08/576907608.db2.gz NGJWMTZJOWTQMT-LLVKDONJSA-N 0 0 277.324 1.300 20 5 CDBDRN Cc1cc(C(=O)NC2COC(C)(C)OC2)cc([N+](=O)[O-])c1 ZINC000754663491 576909418 /nfs/dbraw/zinc/90/94/18/576909418.db2.gz ZDFJDBYLTNTRNU-UHFFFAOYSA-N 0 0 294.307 1.785 20 5 CDBDRN O=[N+]([O-])c1ccnn1CN1CC[C@@H](C2CCOCC2)C1 ZINC000754787335 576915475 /nfs/dbraw/zinc/91/54/75/576915475.db2.gz WXNNZBIHVGYDKE-GFCCVEGCSA-N 0 0 280.328 1.497 20 5 CDBDRN O=C(COC(=O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000748885684 576929978 /nfs/dbraw/zinc/92/99/78/576929978.db2.gz JIXAISHHTRZYDG-JTQLQIEISA-N 0 0 279.248 1.357 20 5 CDBDRN Cc1cc(C(=O)Nc2cnc(C)nc2)c(N)c([N+](=O)[O-])c1 ZINC000749376173 576945564 /nfs/dbraw/zinc/94/55/64/576945564.db2.gz SFEWBZMDXKTNHZ-UHFFFAOYSA-N 0 0 287.279 1.836 20 5 CDBDRN COc1ccc(CNC(=O)C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000749498497 576950550 /nfs/dbraw/zinc/95/05/50/576950550.db2.gz KTKNDMLNIRILCB-VIFPVBQESA-N 0 0 282.296 1.645 20 5 CDBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1cnccn1 ZINC000751158623 577028194 /nfs/dbraw/zinc/02/81/94/577028194.db2.gz SZHDSLNMKUSDTF-MRVPVSSYSA-N 0 0 276.252 1.641 20 5 CDBDRN CNC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000751241861 577031144 /nfs/dbraw/zinc/03/11/44/577031144.db2.gz WADLJFSHQANLJM-UHFFFAOYSA-N 0 0 297.336 1.445 20 5 CDBDRN CC[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000758116194 577072093 /nfs/dbraw/zinc/07/20/93/577072093.db2.gz VOWPTJYBRXJTIJ-SECBINFHSA-N 0 0 270.216 1.155 20 5 CDBDRN O=[N+]([O-])c1cccc(CCNC(=S)NC2CC2)c1 ZINC000758266492 577092885 /nfs/dbraw/zinc/09/28/85/577092885.db2.gz CYDDWLWEFAIAAJ-UHFFFAOYSA-N 0 0 265.338 1.764 20 5 CDBDRN COc1ccc(OCC[NH2+]C(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832444671 600825386 /nfs/dbraw/zinc/82/53/86/600825386.db2.gz ULVKTWPZODAOGX-UHFFFAOYSA-N 0 0 298.295 1.435 20 5 CDBDRN C[C@]([NH2+]CCOc1ccccc1[N+](=O)[O-])(C(=O)[O-])C1CC1 ZINC000827734173 601030982 /nfs/dbraw/zinc/03/09/82/601030982.db2.gz FFLQXHQEBMJXRE-CQSZACIVSA-N 0 0 294.307 1.817 20 5 CDBDRN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000831585164 601136156 /nfs/dbraw/zinc/13/61/56/601136156.db2.gz KSUKVBGQHKUYAY-CYBMUJFWSA-N 0 0 282.296 1.564 20 5 CDBDRN CCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821071967 607160819 /nfs/dbraw/zinc/16/08/19/607160819.db2.gz PCONUNBJSPITLF-UHFFFAOYSA-N 0 0 263.261 1.382 20 5 CDBDRN CC(C)CONc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824271675 608373261 /nfs/dbraw/zinc/37/32/61/608373261.db2.gz QTRWHZOHGMIISK-UHFFFAOYSA-N 0 0 278.272 1.774 20 5 CDBDRN CC(C)(CCC(=O)N1CCOC[C@@]1(C)C1CC1)[N+](=O)[O-] ZINC000890588300 617222916 /nfs/dbraw/zinc/22/29/16/617222916.db2.gz HTKBXRYWICFFGV-AWEZNQCLSA-N 0 0 284.356 1.849 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](O)[C@@H](F)C2)c1C ZINC000890677626 617261804 /nfs/dbraw/zinc/26/18/04/617261804.db2.gz HPHWOLFIUQPBKW-JQWIXIFHSA-N 0 0 296.298 1.757 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000890684414 617270602 /nfs/dbraw/zinc/27/06/02/617270602.db2.gz LFIFRCSGLDWWLN-DGCLKSJQSA-N 0 0 296.298 1.757 20 5 CDBDRN O=C(Nc1cc[nH]n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000066052268 724385337 /nfs/dbraw/zinc/38/53/37/724385337.db2.gz BUGSFUYHDKOJFG-UHFFFAOYSA-N 0 0 277.196 1.478 20 5 CDBDRN Cc1cc(C(=O)N2CC[C@H](O)[C@H](F)C2)cc([N+](=O)[O-])c1 ZINC000890702456 617287368 /nfs/dbraw/zinc/28/73/68/617287368.db2.gz QMRCQTKDIWOFBX-NEPJUHHUSA-N 0 0 282.271 1.448 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](O)[C@@H](F)C2)c1 ZINC000890702217 617288143 /nfs/dbraw/zinc/28/81/43/617288143.db2.gz OYFZSLXCCKGBNW-JQWIXIFHSA-N 0 0 298.270 1.148 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890711207 617295337 /nfs/dbraw/zinc/29/53/37/617295337.db2.gz NTLDOPYXYGCYTJ-NKWVEPMBSA-N 0 0 274.273 1.201 20 5 CDBDRN C[S@@](=O)C1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804690715 617316981 /nfs/dbraw/zinc/31/69/81/617316981.db2.gz FOUUBMPEYHSUNA-HXUWFJFHSA-N 0 0 299.308 1.826 20 5 CDBDRN O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cc([N+](=O)[O-])ccc1F ZINC000891037179 617354802 /nfs/dbraw/zinc/35/48/02/617354802.db2.gz BVLDZEADTJYWCE-DGCLKSJQSA-N 0 0 294.282 1.889 20 5 CDBDRN O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000891053702 617357252 /nfs/dbraw/zinc/35/72/52/617357252.db2.gz BMTVKTXRXTVLKN-NEPJUHHUSA-N 0 0 294.282 1.889 20 5 CDBDRN CO[C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893128704 617399432 /nfs/dbraw/zinc/39/94/32/617399432.db2.gz XGWHYCNXIQTTSA-VIFPVBQESA-N 0 0 254.290 1.334 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCO1 ZINC000892001074 617399613 /nfs/dbraw/zinc/39/96/13/617399613.db2.gz FWAQWSIAGZEMFP-SNVBAGLBSA-N 0 0 267.285 1.979 20 5 CDBDRN C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC(C)(C)O1 ZINC000892024637 617418408 /nfs/dbraw/zinc/41/84/08/617418408.db2.gz DHBLSYPKACKUMM-MRVPVSSYSA-N 0 0 254.290 1.332 20 5 CDBDRN CO[C@@]1(C(=O)OCC(C)(C)[N+](=O)[O-])CCSC1 ZINC000893159894 617419701 /nfs/dbraw/zinc/41/97/01/617419701.db2.gz REUMEFVHNBSDHI-JTQLQIEISA-N 0 0 263.315 1.107 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)[C@H]1CCOC2(CCC2)C1 ZINC000891344498 617441160 /nfs/dbraw/zinc/44/11/60/617441160.db2.gz JECKTWPRTCUZOA-VIFPVBQESA-N 0 0 294.311 1.616 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCC1CCSCC1 ZINC000892514462 617465618 /nfs/dbraw/zinc/46/56/18/617465618.db2.gz HOUXPBPJKKTQIA-UHFFFAOYSA-N 0 0 256.331 1.883 20 5 CDBDRN COc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc(Cl)n1 ZINC000891541929 617466338 /nfs/dbraw/zinc/46/63/38/617466338.db2.gz QETZEOYZAACJOM-RNFRBKRXSA-N 0 0 271.660 1.347 20 5 CDBDRN CC[C@@H]1CN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCO1 ZINC000891563151 617481223 /nfs/dbraw/zinc/48/12/23/617481223.db2.gz ZJVMTKLYUQYUTF-LLVKDONJSA-N 0 0 296.323 1.920 20 5 CDBDRN C[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000891651043 617522844 /nfs/dbraw/zinc/52/28/44/617522844.db2.gz LJELPBPHNHNBSU-QMMMGPOBSA-N 0 0 267.241 1.728 20 5 CDBDRN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930838185 617546578 /nfs/dbraw/zinc/54/65/78/617546578.db2.gz ORTHOTUOVXVBJI-LPEHRKFASA-N 0 0 295.314 1.831 20 5 CDBDRN CC(C)Cn1nccc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128646 617575390 /nfs/dbraw/zinc/57/53/90/617575390.db2.gz CKOIBPCKRYQBBQ-UHFFFAOYSA-N 0 0 269.301 1.751 20 5 CDBDRN CO[C@@H]1CCC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851129637 617576260 /nfs/dbraw/zinc/57/62/60/617576260.db2.gz QHPZXUOJCNSQLK-VHSXEESVSA-N 0 0 259.302 1.790 20 5 CDBDRN O=[N+]([O-])c1ccc(Cc2noc(CNC3CC3)n2)nc1 ZINC000843191355 617689119 /nfs/dbraw/zinc/68/91/19/617689119.db2.gz FIUUTCWRZYOSRK-UHFFFAOYSA-N 0 0 275.268 1.216 20 5 CDBDRN Cn1c(C(=O)OCCC2OCCCO2)ccc1[N+](=O)[O-] ZINC000777057821 617718454 /nfs/dbraw/zinc/71/84/54/617718454.db2.gz FEPYYFIPHGCGKE-UHFFFAOYSA-N 0 0 284.268 1.243 20 5 CDBDRN O=C(CN1CC[C@H]1CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934024259 617845081 /nfs/dbraw/zinc/84/50/81/617845081.db2.gz BLGODXGVTBYCLP-VIFPVBQESA-N 0 0 299.714 1.253 20 5 CDBDRN CO[C@H]1CC[C@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000889356085 617944328 /nfs/dbraw/zinc/94/43/28/617944328.db2.gz MESMHXLBROYFNI-BDAKNGLRSA-N 0 0 270.310 1.906 20 5 CDBDRN O=[N+]([O-])c1ccc(NC(=S)NCCOCCF)cc1 ZINC000853054812 618040610 /nfs/dbraw/zinc/04/06/10/618040610.db2.gz ZXMAXUZBJGDQQF-UHFFFAOYSA-N 0 0 287.316 1.867 20 5 CDBDRN C[C@H](COC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1)[N+](=O)[O-] ZINC000893044479 618092521 /nfs/dbraw/zinc/09/25/21/618092521.db2.gz JMKKZZLDCWSDAK-SKDRFNHKSA-N 0 0 292.291 1.460 20 5 CDBDRN C[C@H](COC(=O)c1c2c(nn1C)CCCC2)[N+](=O)[O-] ZINC000893045416 618092864 /nfs/dbraw/zinc/09/28/64/618092864.db2.gz WDXSUYSWMQUZFF-MRVPVSSYSA-N 0 0 267.285 1.121 20 5 CDBDRN COc1cccc2c(C(=O)OC[C@H](C)[N+](=O)[O-])cnn21 ZINC000893046404 618093925 /nfs/dbraw/zinc/09/39/25/618093925.db2.gz ASMWQOGIDYCISL-QMMMGPOBSA-N 0 0 279.252 1.165 20 5 CDBDRN C[C@H](COC(=O)c1n[nH]c2c1C[C@H](C)CC2)[N+](=O)[O-] ZINC000893047200 618099619 /nfs/dbraw/zinc/09/96/19/618099619.db2.gz JTLYHGWVHJKFEL-HTQZYQBOSA-N 0 0 267.285 1.357 20 5 CDBDRN CCc1ccc(CC(=O)O[C@@H](C)C[N+](=O)[O-])nc1 ZINC000893075938 618130520 /nfs/dbraw/zinc/13/05/20/618130520.db2.gz BXYSRSPMAJHUBY-VIFPVBQESA-N 0 0 252.270 1.395 20 5 CDBDRN Cc1ccc(CC(=O)O[C@H](C)C[N+](=O)[O-])c(Cl)n1 ZINC000893076365 618131905 /nfs/dbraw/zinc/13/19/05/618131905.db2.gz KRPHGZVLUIVVMD-MRVPVSSYSA-N 0 0 272.688 1.794 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@]1(C)OCCc2ccccc21 ZINC000893075510 618136051 /nfs/dbraw/zinc/13/60/51/618136051.db2.gz BDOQTZVLRZYADF-QMTHXVAHSA-N 0 0 279.292 1.683 20 5 CDBDRN Cc1nc(C)c(CC(=O)O[C@H](C)C[N+](=O)[O-])s1 ZINC000893080349 618139224 /nfs/dbraw/zinc/13/92/24/618139224.db2.gz ZAHSYJSIZKXFSZ-ZCFIWIBFSA-N 0 0 258.299 1.511 20 5 CDBDRN C[C@@H]1Cn2nccc2N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000893900123 618152079 /nfs/dbraw/zinc/15/20/79/618152079.db2.gz DDQCXMFDDAUKFR-QMMMGPOBSA-N 0 0 276.252 1.681 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCCOC1 ZINC000892409584 618164482 /nfs/dbraw/zinc/16/44/82/618164482.db2.gz IKXIBJGLXUIPNV-JTQLQIEISA-N 0 0 281.312 1.861 20 5 CDBDRN C[N@@H+]1C[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938221 618198605 /nfs/dbraw/zinc/19/86/05/618198605.db2.gz CIZJBCQRTWCXRB-GZMMTYOYSA-N 0 0 282.731 1.784 20 5 CDBDRN COc1c(O)ccc(CN2C[C@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000893948400 618214364 /nfs/dbraw/zinc/21/43/64/618214364.db2.gz DAUUDUTWZKXRJK-PSASIEDQSA-N 0 0 282.296 1.264 20 5 CDBDRN Cc1ccoc1CN(C)c1c([N+](=O)[O-])cnn1C ZINC000893958823 618224389 /nfs/dbraw/zinc/22/43/89/618224389.db2.gz DGKIMNFFZXTYMB-UHFFFAOYSA-N 0 0 250.258 1.866 20 5 CDBDRN O=[N+]([O-])c1c2nonc2ccc1N1CC[C@@H](F)C1 ZINC000894023323 618254506 /nfs/dbraw/zinc/25/45/06/618254506.db2.gz MXXSTDOPFPPPOT-ZCFIWIBFSA-N 0 0 252.205 1.679 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](OC)[C@@H](C)C1 ZINC000894062251 618325239 /nfs/dbraw/zinc/32/52/39/618325239.db2.gz CKWDUGFFINAFCV-GXSJLCMTSA-N 0 0 281.312 1.860 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccns2)n1 ZINC000894066097 618330972 /nfs/dbraw/zinc/33/09/72/618330972.db2.gz ZTZYHWMEJJNLNV-UHFFFAOYSA-N 0 0 295.324 1.540 20 5 CDBDRN C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)NC1CCCCC1 ZINC000840672021 618446591 /nfs/dbraw/zinc/44/65/91/618446591.db2.gz BJFROLGQENRJBT-FBIMIBRVSA-N 0 0 284.312 1.032 20 5 CDBDRN CC1(C)CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CO1 ZINC000889724105 618540872 /nfs/dbraw/zinc/54/08/72/618540872.db2.gz ABWKUAHDVWUQKJ-LIVJGEBJSA-N 0 0 268.313 1.116 20 5 CDBDRN Cc1ccc(CCNc2c([N+](=O)[O-])cnn2C)nc1 ZINC000894140184 618618281 /nfs/dbraw/zinc/61/82/81/618618281.db2.gz AGWOXJPSCZIZKH-UHFFFAOYSA-N 0 0 261.285 1.686 20 5 CDBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]12C[C@H]1COC2 ZINC000894182683 618666392 /nfs/dbraw/zinc/66/63/92/618666392.db2.gz DPBSLGHFYKXILC-ZYBKJHNUSA-N 0 0 288.303 1.903 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CCC(C2(O)CC2)CC1 ZINC000894379397 618835579 /nfs/dbraw/zinc/83/55/79/618835579.db2.gz LUUVSRRNGXWIKY-UHFFFAOYSA-N 0 0 266.301 1.070 20 5 CDBDRN CC[C@]1(O)CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000894938437 619156303 /nfs/dbraw/zinc/15/63/03/619156303.db2.gz ZDBUTBJXORHVPO-NSHDSACASA-N 0 0 254.290 1.070 20 5 CDBDRN C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[C@@H]1O ZINC000882210547 619322606 /nfs/dbraw/zinc/32/26/06/619322606.db2.gz LQPVVBZHEZXDTF-APPZFPTMSA-N 0 0 255.249 1.336 20 5 CDBDRN CCOC(=O)[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000896266670 620041519 /nfs/dbraw/zinc/04/15/19/620041519.db2.gz UKKHSACYKALCNM-SNVBAGLBSA-N 0 0 296.327 1.509 20 5 CDBDRN C[C@@H]1C(=O)CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000896335106 620060406 /nfs/dbraw/zinc/06/04/06/620060406.db2.gz FNRDNNOHIMXWEU-SECBINFHSA-N 0 0 274.280 1.800 20 5 CDBDRN CCN(CCC(=O)NC)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000896981006 620330491 /nfs/dbraw/zinc/33/04/91/620330491.db2.gz WPSSDWVINZUVDA-UHFFFAOYSA-N 0 0 293.323 1.760 20 5 CDBDRN CCN(CCC(=O)NC)c1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000896981088 620330590 /nfs/dbraw/zinc/33/05/90/620330590.db2.gz ZKOAXJDTQPNBIY-UHFFFAOYSA-N 0 0 295.339 1.874 20 5 CDBDRN CCN(CCC(=O)NC)c1nccc(C)c1[N+](=O)[O-] ZINC000896981663 620331089 /nfs/dbraw/zinc/33/10/89/620331089.db2.gz JTGDEZDZAARCDM-UHFFFAOYSA-N 0 0 266.301 1.261 20 5 CDBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@@H]2C1 ZINC000888234851 621551106 /nfs/dbraw/zinc/55/11/06/621551106.db2.gz UOCYFVHZNZRLJC-PHIMTYICSA-N 0 0 291.307 1.635 20 5 CDBDRN Cc1nnc(SCCOc2cccc([N+](=O)[O-])c2)n1N ZINC000042128496 622017579 /nfs/dbraw/zinc/01/75/79/622017579.db2.gz LOLFKJDSJHAIOO-UHFFFAOYSA-N 0 0 295.324 1.380 20 5 CDBDRN COC(=O)c1ccc(OCC[N+](=O)[O-])c(C(C)=O)c1 ZINC000899231958 622106754 /nfs/dbraw/zinc/10/67/54/622106754.db2.gz VMQBNFVUAWTHIX-UHFFFAOYSA-N 0 0 267.237 1.331 20 5 CDBDRN O=[N+]([O-])CCSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000899867065 622492659 /nfs/dbraw/zinc/49/26/59/622492659.db2.gz ZIEZLZODOCLNAW-ZETCQYMHSA-N 0 0 290.370 1.498 20 5 CDBDRN O=[N+]([O-])CCSc1nnnn1Cc1cccs1 ZINC000899864146 622497857 /nfs/dbraw/zinc/49/78/57/622497857.db2.gz FXNJAYVNSMBJAL-UHFFFAOYSA-N 0 0 271.327 1.152 20 5 CDBDRN O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1CC[N+](=O)[O-] ZINC000899878361 622500754 /nfs/dbraw/zinc/50/07/54/622500754.db2.gz PYSAAJYFIJVWNS-JTQLQIEISA-N 0 0 280.255 1.020 20 5 CDBDRN C[C@@]1(c2ccc(F)cc2)CC(=O)N(CC[N+](=O)[O-])C1=O ZINC000899885336 622506911 /nfs/dbraw/zinc/50/69/11/622506911.db2.gz MFKNUSFAUASGAG-ZDUSSCGKSA-N 0 0 280.255 1.119 20 5 CDBDRN CCc1nnc(C(=O)NCc2ccccc2[N+](=O)[O-])s1 ZINC000900239727 622821570 /nfs/dbraw/zinc/82/15/70/622821570.db2.gz GGIHHIIPBGXLQI-UHFFFAOYSA-N 0 0 292.320 1.939 20 5 CDBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000904004433 626177102 /nfs/dbraw/zinc/17/71/02/626177102.db2.gz RNTVPVZGUJQPQP-JLLWLGSASA-N 0 0 279.223 1.864 20 5 CDBDRN CC(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905007510 626373218 /nfs/dbraw/zinc/37/32/18/626373218.db2.gz YAJVMHXHGKGWMZ-UHFFFAOYSA-N 0 0 280.280 1.894 20 5 CDBDRN CCOc1c(OC)cc(CNCC[N+](=O)[O-])cc1OC ZINC000905076032 626618340 /nfs/dbraw/zinc/61/83/40/626618340.db2.gz LHEAVYVOAKGAEL-UHFFFAOYSA-N 0 0 284.312 1.469 20 5 CDBDRN O=[N+]([O-])CCNCc1cc(Cl)cc2c1OCC2 ZINC000905207650 626692071 /nfs/dbraw/zinc/69/20/71/626692071.db2.gz HNIJQFJDHFUFPM-UHFFFAOYSA-N 0 0 256.689 1.641 20 5 CDBDRN CO[C@H]1CCOc2c(NCC[N+](=O)[O-])cccc21 ZINC000905333808 626772769 /nfs/dbraw/zinc/77/27/69/626772769.db2.gz AUCDAALJBWCTOW-NSHDSACASA-N 0 0 252.270 1.845 20 5 CDBDRN CCN(CC(C)=O)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000908391568 628177533 /nfs/dbraw/zinc/17/75/33/628177533.db2.gz FTRQBISXFAHYDR-UHFFFAOYSA-N 0 0 294.307 1.583 20 5 CDBDRN Cc1n[nH]c(C(=O)N(C)C[Si](C)(C)C)c1[N+](=O)[O-] ZINC000911733337 629477840 /nfs/dbraw/zinc/47/78/40/629477840.db2.gz YCFFSDJFXDYDEH-UHFFFAOYSA-N 0 0 270.365 1.576 20 5 CDBDRN COCC1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911964835 629690358 /nfs/dbraw/zinc/69/03/58/629690358.db2.gz IWGURPDEUAGGKU-UHFFFAOYSA-N 0 0 268.244 1.452 20 5 CDBDRN Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000030805304 630917998 /nfs/dbraw/zinc/91/79/98/630917998.db2.gz MLGGLINDKFSABM-UHFFFAOYSA-N 0 0 275.264 1.994 20 5 CDBDRN C[C@@H]1CO[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000888268813 631447175 /nfs/dbraw/zinc/44/71/75/631447175.db2.gz IAHSAVPQLVHESO-JOYOIKCWSA-N 0 0 264.281 1.636 20 5 CDBDRN CSCC[C@@H](C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000835822286 631726771 /nfs/dbraw/zinc/72/67/71/631726771.db2.gz UPXKJRXSSJHYTN-MRVPVSSYSA-N 0 0 273.314 1.476 20 5 CDBDRN Cc1cnn(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000917611281 632256166 /nfs/dbraw/zinc/25/61/66/632256166.db2.gz YQKMURQMTXCJJB-UHFFFAOYSA-N 0 0 278.243 1.878 20 5 CDBDRN O=[N+]([O-])c1nccn1Cc1ccc2c(c1)OCCO2 ZINC000918360744 632362199 /nfs/dbraw/zinc/36/21/99/632362199.db2.gz USVQKGMVERBIGP-UHFFFAOYSA-N 0 0 261.237 1.611 20 5 CDBDRN CNc1ccc(C(=O)OCCn2cccn2)cc1[N+](=O)[O-] ZINC000918537500 632381989 /nfs/dbraw/zinc/38/19/89/632381989.db2.gz IVDHKDSWWNJYAJ-UHFFFAOYSA-N 0 0 290.279 1.690 20 5 CDBDRN Cc1cccc(C)c1OC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000919675233 632652935 /nfs/dbraw/zinc/65/29/35/632652935.db2.gz JBNDLDSLAHKFTO-UHFFFAOYSA-N 0 0 276.252 1.409 20 5 CDBDRN C[C@H](OC(=O)[C@H]1CCC(=O)NC1)c1ccccc1[N+](=O)[O-] ZINC000920267472 632748748 /nfs/dbraw/zinc/74/87/48/632748748.db2.gz JEWCTGZZKMJCDL-UWVGGRQHSA-N 0 0 292.291 1.725 20 5 CDBDRN Cc1cc(COC(=O)c2c([N+](=O)[O-])c(C)nn2C)no1 ZINC000920660072 632816125 /nfs/dbraw/zinc/81/61/25/632816125.db2.gz GNBZLURNZPATFW-UHFFFAOYSA-N 0 0 280.240 1.290 20 5 CDBDRN Cc1nonc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000920974588 632866145 /nfs/dbraw/zinc/86/61/45/632866145.db2.gz IBLVTIQABIMBCF-UHFFFAOYSA-N 0 0 262.225 1.847 20 5 CDBDRN COc1nc(C)nc(NCC(C)(OC)OC)c1[N+](=O)[O-] ZINC001170433435 1162424685 /nfs/dbraw/zinc/42/46/85/1162424685.db2.gz CRCCZOWWGBLSDF-UHFFFAOYSA-N 0 0 286.288 1.123 20 5 CDBDRN Cc1ccc(OC(=O)c2cn(C)nn2)c([N+](=O)[O-])c1 ZINC000808022981 1162801181 /nfs/dbraw/zinc/80/11/81/1162801181.db2.gz UUETUPQYMUSXEI-UHFFFAOYSA-N 0 0 262.225 1.251 20 5 CDBDRN CC(=O)N[C@H]1C[C@H](Nc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001170581115 1163015068 /nfs/dbraw/zinc/01/50/68/1163015068.db2.gz WYHONOMZMBGISY-ZKCHVHJHSA-N 0 0 284.703 1.722 20 5 CDBDRN C[C@]([NH2+]CCCCO)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604343580 1163159757 /nfs/dbraw/zinc/15/97/57/1163159757.db2.gz VIICIWJMPMCNEN-CYBMUJFWSA-N 0 0 282.296 1.257 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(OCC[C@H](C)OC)n1 ZINC001234879745 1161145221 /nfs/dbraw/zinc/14/52/21/1161145221.db2.gz SDMCRSWWVPBEFF-QMMMGPOBSA-N 0 0 256.258 1.802 20 5 CDBDRN NC(=O)CCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001168953764 1161995317 /nfs/dbraw/zinc/99/53/17/1161995317.db2.gz BYVYTRNQEWNZNB-UHFFFAOYSA-N 0 0 285.691 1.203 20 5 CDBDRN Cc1cc(Cl)c([N+](=O)[O-])c(NC2(CO)COC2)n1 ZINC001157392576 1162060476 /nfs/dbraw/zinc/06/04/76/1162060476.db2.gz KTLDFVSCDRJQMF-UHFFFAOYSA-N 0 0 273.676 1.125 20 5 CDBDRN Nc1ccc(C(=O)N2CCCc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000790072348 1162123613 /nfs/dbraw/zinc/12/36/13/1162123613.db2.gz MEZICXQBCXPTKM-UHFFFAOYSA-N 0 0 287.279 1.493 20 5 CDBDRN CC[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001609897627 1165136322 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C[C@@H](CO)CSc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001589883294 1173194904 /nfs/dbraw/zinc/19/49/04/1173194904.db2.gz YDBNZKGUOKFRFL-ZETCQYMHSA-N 0 0 295.324 1.495 20 5 CDBDRN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CO1 ZINC001590207416 1173292807 /nfs/dbraw/zinc/29/28/07/1173292807.db2.gz RWHMLGAAVLXCOE-VXNVDRBHSA-N 0 0 290.283 1.364 20 5 CDBDRN C[C@H]1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590239976 1173311192 /nfs/dbraw/zinc/31/11/92/1173311192.db2.gz OOUXCZQGTBRYOQ-CBAPKCEASA-N 0 0 289.299 1.770 20 5 CDBDRN CCOC[C@H](C)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590817493 1173518022 /nfs/dbraw/zinc/51/80/22/1173518022.db2.gz YLILVXIDKQLDDU-LURJTMIESA-N 0 0 298.328 1.673 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCCCCC1 ZINC001593470912 1174082507 /nfs/dbraw/zinc/08/25/07/1174082507.db2.gz QHQLUFNAPHLAIA-UHFFFAOYSA-N 0 0 289.299 1.550 20 5 CDBDRN O=[N+]([O-])c1ccc(NC/C=C\Cl)c(-c2nn[nH]n2)c1 ZINC001593478538 1174082603 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1.629 20 5 CDBDRN C[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619504356 349754852 /nfs/dbraw/zinc/75/48/52/349754852.db2.gz SCODRRHIAKSRHJ-GXFFZTMASA-N 0 0 279.296 1.374 20 5 CDBDRN Cc1noc(CN2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000595298122 343027938 /nfs/dbraw/zinc/02/79/38/343027938.db2.gz NEYJPQZKPNRKOB-UHFFFAOYSA-N 0 0 255.274 1.096 20 5 CDBDRN CCc1ccc(C(=O)NCCc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000174216891 529603901 /nfs/dbraw/zinc/60/39/01/529603901.db2.gz QWFCTHMVEJVUAI-UHFFFAOYSA-N 0 0 288.307 1.853 20 5 CDBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2=CCCC2)c1 ZINC000595361943 343040158 /nfs/dbraw/zinc/04/01/58/343040158.db2.gz CWROTTUGTONNRG-UHFFFAOYSA-N 0 0 282.321 1.983 20 5 CDBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCO)CC1 ZINC000075617232 342313747 /nfs/dbraw/zinc/31/37/47/342313747.db2.gz LTMMAEPWYMPSCQ-GFCCVEGCSA-N 0 0 279.340 1.266 20 5 CDBDRN CCC[C@H](O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000126153005 187221019 /nfs/dbraw/zinc/22/10/19/187221019.db2.gz CXTAUJCBISYNFL-NSHDSACASA-N 0 0 266.297 1.794 20 5 CDBDRN CC[C@](C)(NCc1onc(C)c1[N+](=O)[O-])C(=O)OC ZINC000595406784 343050055 /nfs/dbraw/zinc/05/00/55/343050055.db2.gz JZXTUQJDJMEBFW-NSHDSACASA-N 0 0 271.273 1.323 20 5 CDBDRN CCO[C@@H]1COCC[C@H]1NCc1onc(C)c1[N+](=O)[O-] ZINC000595447176 343053838 /nfs/dbraw/zinc/05/38/38/343053838.db2.gz GDNUNIZMGIFPLG-MWLCHTKSSA-N 0 0 285.300 1.175 20 5 CDBDRN COc1cccc(NCCN2CCCC2=O)c1[N+](=O)[O-] ZINC000405353254 349784498 /nfs/dbraw/zinc/78/44/98/349784498.db2.gz AIZKZUVUCUKCKG-UHFFFAOYSA-N 0 0 279.296 1.638 20 5 CDBDRN Nc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)ncc1[N+](=O)[O-] ZINC000076268873 342320386 /nfs/dbraw/zinc/32/03/86/342320386.db2.gz WIVDJOJKKGSSNR-WDEREUQCSA-N 0 0 287.279 1.037 20 5 CDBDRN Cc1noc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465929 343071139 /nfs/dbraw/zinc/07/11/39/343071139.db2.gz GKUHSFAIQARFHA-TVQRCGJNSA-N 0 0 297.311 1.271 20 5 CDBDRN O=[N+]([O-])c1ccccc1NC[C@@H](O)C1CCOCC1 ZINC000076690806 342324316 /nfs/dbraw/zinc/32/43/16/342324316.db2.gz DOPKYTQHRALQIW-CYBMUJFWSA-N 0 0 266.297 1.794 20 5 CDBDRN COCC[C@@H]1COCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595491234 343076199 /nfs/dbraw/zinc/07/61/99/343076199.db2.gz CEORXGCOSWCSKG-CYBMUJFWSA-N 0 0 298.314 1.971 20 5 CDBDRN CCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](C)CC ZINC000077250309 342327015 /nfs/dbraw/zinc/32/70/15/342327015.db2.gz ZAGFQVGMWNVGNA-JTQLQIEISA-N 0 0 283.332 1.614 20 5 CDBDRN Cc1cc([C@@](C)(O)CNc2c([N+](=O)[O-])ncn2C)c(C)o1 ZINC000078307851 342335481 /nfs/dbraw/zinc/33/54/81/342335481.db2.gz KGLOGUPAURPNOP-ZDUSSCGKSA-N 0 0 294.311 1.858 20 5 CDBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078398851 342336748 /nfs/dbraw/zinc/33/67/48/342336748.db2.gz KBKXCMXPJSNHDG-UHFFFAOYSA-N 0 0 250.254 1.594 20 5 CDBDRN CC(=O)c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000061710606 362079446 /nfs/dbraw/zinc/07/94/46/362079446.db2.gz QKSPSSAIFOZDLT-JTQLQIEISA-N 0 0 250.254 1.368 20 5 CDBDRN C[C@H]1OCC[C@@H]1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000126332582 187233343 /nfs/dbraw/zinc/23/33/43/187233343.db2.gz OUFPCHOHSSJUPP-SKDRFNHKSA-N 0 0 285.321 1.687 20 5 CDBDRN Cc1cccc(C)c1OC[C@H](O)Cn1cnc([N+](=O)[O-])n1 ZINC000270079734 190595447 /nfs/dbraw/zinc/59/54/47/190595447.db2.gz GMJAXNWVSDHDGP-LLVKDONJSA-N 0 0 292.295 1.243 20 5 CDBDRN COC[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000268807234 365721353 /nfs/dbraw/zinc/72/13/53/365721353.db2.gz KZRJOIOTOZKGLN-SNVBAGLBSA-N 0 0 251.286 1.771 20 5 CDBDRN CO[C@@H](C)CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595751616 343152634 /nfs/dbraw/zinc/15/26/34/343152634.db2.gz GEJVVCHHBNUSAS-JTQLQIEISA-N 0 0 296.327 1.341 20 5 CDBDRN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)OC ZINC000290408563 197698798 /nfs/dbraw/zinc/69/87/98/197698798.db2.gz MEBRFYCZVKWAIQ-ZETCQYMHSA-N 0 0 258.299 1.811 20 5 CDBDRN C[S@@](=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000080568428 342356455 /nfs/dbraw/zinc/35/64/55/342356455.db2.gz DCKIHEZIRMOHQN-FQEVSTJZSA-N 0 0 293.304 1.913 20 5 CDBDRN COC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000619433683 342358298 /nfs/dbraw/zinc/35/82/98/342358298.db2.gz KVEXIUWJZZVRBQ-JQWIXIFHSA-N 0 0 282.271 1.680 20 5 CDBDRN COC(=O)[C@H](C)CSCc1onc(C)c1[N+](=O)[O-] ZINC000596018728 343215142 /nfs/dbraw/zinc/21/51/42/343215142.db2.gz BABZSDAPANLHKK-ZCFIWIBFSA-N 0 0 274.298 1.934 20 5 CDBDRN Cc1nn(C)c(C(=O)NC2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000535054801 282233378 /nfs/dbraw/zinc/23/33/78/282233378.db2.gz QJUSFUGGTMSPKO-HTQZYQBOSA-N 0 0 296.327 1.323 20 5 CDBDRN CN(CC(F)F)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596106418 343228384 /nfs/dbraw/zinc/22/83/84/343228384.db2.gz BMLCQQMDTFGFMO-UHFFFAOYSA-N 0 0 259.212 1.395 20 5 CDBDRN CCOC[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596125890 343237267 /nfs/dbraw/zinc/23/72/67/343237267.db2.gz FDDGSPTXFOZPGY-SNVBAGLBSA-N 0 0 281.312 1.948 20 5 CDBDRN O=c1[nH]ccc(N[C@@H]2CCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000596126782 343237348 /nfs/dbraw/zinc/23/73/48/343237348.db2.gz QAVNHURTCSCPTL-MRVPVSSYSA-N 0 0 275.268 1.388 20 5 CDBDRN C[C@@H](CC[S@@](C)=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596139458 343241493 /nfs/dbraw/zinc/24/14/93/343241493.db2.gz AXLKWLCRTNXLCK-FFVOIRBGSA-N 0 0 299.352 1.263 20 5 CDBDRN CCN(CC(C)(C)O)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000081968959 342374900 /nfs/dbraw/zinc/37/49/00/342374900.db2.gz LVCUAJOVJDGRNL-UHFFFAOYSA-N 0 0 295.339 1.626 20 5 CDBDRN C[C@@H](C[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596158673 343255139 /nfs/dbraw/zinc/25/51/39/343255139.db2.gz CBBDBQUAMDYQCX-VHSXEESVSA-N 0 0 293.323 1.921 20 5 CDBDRN Cc1cc(N(C)CC(=O)NC(C)C)c([N+](=O)[O-])s1 ZINC000596060649 343223416 /nfs/dbraw/zinc/22/34/16/343223416.db2.gz CRHRZBQLMOXQRS-UHFFFAOYSA-N 0 0 271.342 1.926 20 5 CDBDRN CO[C@@](C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596241628 343284950 /nfs/dbraw/zinc/28/49/50/343284950.db2.gz IHQOAVWIHPLFCE-AWEZNQCLSA-N 0 0 293.323 1.921 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596170759 343258905 /nfs/dbraw/zinc/25/89/05/343258905.db2.gz XDGACHDCDIANLD-NXEZZACHSA-N 0 0 293.323 1.291 20 5 CDBDRN Cc1cc(N2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])s1 ZINC000596205369 343265240 /nfs/dbraw/zinc/26/52/40/343265240.db2.gz BVLKWVXATLSUEB-WPRPVWTQSA-N 0 0 272.326 1.144 20 5 CDBDRN Cc1cc(N2C[C@@H](C)O[C@H](CO)C2)c([N+](=O)[O-])s1 ZINC000596205790 343265552 /nfs/dbraw/zinc/26/55/52/343265552.db2.gz MPSQBXSCWFDKQW-APPZFPTMSA-N 0 0 272.326 1.551 20 5 CDBDRN CCn1ccnc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596251647 343274851 /nfs/dbraw/zinc/27/48/51/343274851.db2.gz UQPAPWCOHTZQLM-UHFFFAOYSA-N 0 0 263.257 1.524 20 5 CDBDRN CCO[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000596253755 343275656 /nfs/dbraw/zinc/27/56/56/343275656.db2.gz DMSQKGUIJHMDSB-ONGXEEELSA-N 0 0 280.328 1.823 20 5 CDBDRN Cc1noc(CN2C(=O)C[C@@](C)(C(C)C)C2=O)c1[N+](=O)[O-] ZINC000596256822 343276441 /nfs/dbraw/zinc/27/64/41/343276441.db2.gz FTTNAZDOPRPSHU-ZDUSSCGKSA-N 0 0 295.295 1.812 20 5 CDBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H](O)C(C)C ZINC000596270388 343281714 /nfs/dbraw/zinc/28/17/14/343281714.db2.gz GESBUPRJWFQBQG-YPMHNXCESA-N 0 0 295.339 1.901 20 5 CDBDRN CCC(=O)c1ccc(NCCNC(=O)NC)c([N+](=O)[O-])c1 ZINC000596271439 343281986 /nfs/dbraw/zinc/28/19/86/343281986.db2.gz BYWRWQFEQMVRFR-UHFFFAOYSA-N 0 0 294.311 1.528 20 5 CDBDRN Cc1nn(C)c(NCCN2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596431552 343319492 /nfs/dbraw/zinc/31/94/92/343319492.db2.gz OZJZIPYJGKHNGM-UWVGGRQHSA-N 0 0 297.359 1.158 20 5 CDBDRN C[C@H](O)C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000596485225 343328604 /nfs/dbraw/zinc/32/86/04/343328604.db2.gz WTNIACDCNLRGBP-ZETCQYMHSA-N 0 0 283.259 1.769 20 5 CDBDRN CN1CCN(c2sccc2[N+](=O)[O-])CCC1=O ZINC000596493372 343331600 /nfs/dbraw/zinc/33/16/00/343331600.db2.gz OHGGIUSWBBKAIV-UHFFFAOYSA-N 0 0 255.299 1.325 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC[C@H](CO)CC1CC1 ZINC000596494792 343331791 /nfs/dbraw/zinc/33/17/91/343331791.db2.gz VSXHYYMHUNWXRD-SECBINFHSA-N 0 0 254.290 1.149 20 5 CDBDRN Cc1noc(CSCc2nnnn2C2CC2)c1[N+](=O)[O-] ZINC000596327083 343303483 /nfs/dbraw/zinc/30/34/83/343303483.db2.gz NTCJURNXNFCNBR-UHFFFAOYSA-N 0 0 296.312 1.646 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](O)C1 ZINC000596638346 343363471 /nfs/dbraw/zinc/36/34/71/343363471.db2.gz SQQQPPRAOXQUTQ-CZMCAQCFSA-N 0 0 265.269 1.548 20 5 CDBDRN COC(=O)[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596516383 343340137 /nfs/dbraw/zinc/34/01/37/343340137.db2.gz VPDLCEQLCYTXCL-DTWKUNHWSA-N 0 0 295.295 1.331 20 5 CDBDRN C[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000596541297 343346540 /nfs/dbraw/zinc/34/65/40/343346540.db2.gz IYOXCIASLQCFSW-CABZTGNLSA-N 0 0 251.286 1.445 20 5 CDBDRN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092756148 342418601 /nfs/dbraw/zinc/41/86/01/342418601.db2.gz OKGBFBLXXXORHR-CYBMUJFWSA-N 0 0 291.351 1.971 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@H](O)C1 ZINC000092977905 342421022 /nfs/dbraw/zinc/42/10/22/342421022.db2.gz PDZFGUQAYYKMJE-GZMMTYOYSA-N 0 0 251.286 1.505 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 ZINC000137382952 342429575 /nfs/dbraw/zinc/42/95/75/342429575.db2.gz BQHWIHSGWDPFRE-UHFFFAOYSA-N 0 0 292.263 1.108 20 5 CDBDRN CCC[C@H]1CN(c2c([N+](=O)[O-])c(CC)nn2C)CCO1 ZINC000091675805 342406677 /nfs/dbraw/zinc/40/66/77/342406677.db2.gz FXMMVIXTLXMSFU-JTQLQIEISA-N 0 0 282.344 1.896 20 5 CDBDRN CCc1nnc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000140054007 342444610 /nfs/dbraw/zinc/44/46/10/342444610.db2.gz NDUSYZZRAPTPBK-UHFFFAOYSA-N 0 0 251.246 1.402 20 5 CDBDRN COCCCn1c(C)cn(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000619571256 349807479 /nfs/dbraw/zinc/80/74/79/349807479.db2.gz WSHXHAICOJHEIH-UHFFFAOYSA-N 0 0 291.307 1.892 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(c2cn[nH]c2)CC1 ZINC000340868822 362205850 /nfs/dbraw/zinc/20/58/50/362205850.db2.gz BSIOWWRBOFIYRB-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/89/85/37/358898537.db2.gz KYZJFPYVQQJNCM-ZDUSSCGKSA-N 0 0 280.324 1.832 20 5 CDBDRN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000341143478 366506314 /nfs/dbraw/zinc/50/63/14/366506314.db2.gz LMWXQBHDNVPVES-CYBMUJFWSA-N 0 0 278.308 1.775 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1OCCCS(C)(=O)=O ZINC000103136261 358904977 /nfs/dbraw/zinc/90/49/77/358904977.db2.gz GYOUXYJKXNEEBU-UHFFFAOYSA-N 0 0 289.309 1.417 20 5 CDBDRN Cc1nc(N[C@@H](C)CO[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000151529823 358966280 /nfs/dbraw/zinc/96/62/80/358966280.db2.gz SPTKAEPCDUWLEP-GXSJLCMTSA-N 0 0 281.312 1.904 20 5 CDBDRN CCOC1(C)CN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000450582291 358958523 /nfs/dbraw/zinc/95/85/23/358958523.db2.gz RRGMNCASUCPCPU-UHFFFAOYSA-N 0 0 251.286 1.913 20 5 CDBDRN Cc1n[nH]c(C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000279990329 359039167 /nfs/dbraw/zinc/03/91/67/359039167.db2.gz LVNPMIUQCASHPP-XCBNKYQSSA-N 0 0 294.311 1.266 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000119919525 359041218 /nfs/dbraw/zinc/04/12/18/359041218.db2.gz YFAODZQMVXQMGF-RKDXNWHRSA-N 0 0 296.327 1.425 20 5 CDBDRN CCOc1cc(N[C@H](CO)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000447811709 359046291 /nfs/dbraw/zinc/04/62/91/359046291.db2.gz OTUFQYIQJIILDH-YPMHNXCESA-N 0 0 296.323 1.945 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CC(C)(C)O ZINC000450697035 358981696 /nfs/dbraw/zinc/98/16/96/358981696.db2.gz VLQODKNDMQDVAC-VIFPVBQESA-N 0 0 295.339 1.916 20 5 CDBDRN CCOC(=O)c1ccnc(N[C@H](CC)[C@H](C)O)c1[N+](=O)[O-] ZINC000450800602 359008196 /nfs/dbraw/zinc/00/81/96/359008196.db2.gz QXDRQHLWIPPNDZ-WCBMZHEXSA-N 0 0 297.311 1.738 20 5 CDBDRN CCCNC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000342329374 359010196 /nfs/dbraw/zinc/01/01/96/359010196.db2.gz OZKZHFOZTHWEDZ-UHFFFAOYSA-N 0 0 293.323 1.549 20 5 CDBDRN Cc1nnc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000342475973 359068354 /nfs/dbraw/zinc/06/83/54/359068354.db2.gz SJZHTCTZTNQTJN-UHFFFAOYSA-N 0 0 290.279 1.188 20 5 CDBDRN Cc1ccc(C(=O)N(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000051817908 359107163 /nfs/dbraw/zinc/10/71/63/359107163.db2.gz GINYOTNYKKBPGT-VIFPVBQESA-N 0 0 252.270 1.356 20 5 CDBDRN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000342448247 359054757 /nfs/dbraw/zinc/05/47/57/359054757.db2.gz RZWSTTBBNZJZEU-APPZFPTMSA-N 0 0 290.366 1.179 20 5 CDBDRN C[S@@](=O)C1(CNc2ccc(N)cc2[N+](=O)[O-])CCC1 ZINC000287800814 359125084 /nfs/dbraw/zinc/12/50/84/359125084.db2.gz PIGIIIJQRWKEJS-LJQANCHMSA-N 0 0 283.353 1.890 20 5 CDBDRN O=c1c(F)cc([N+](=O)[O-])cn1C[C@H]1CCCCO1 ZINC000565362414 359125004 /nfs/dbraw/zinc/12/50/04/359125004.db2.gz DCFBNIIVFGOLPO-SECBINFHSA-N 0 0 256.233 1.465 20 5 CDBDRN COCCCONC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000288002134 359144704 /nfs/dbraw/zinc/14/47/04/359144704.db2.gz ZWQPPRSSPTZJCV-UHFFFAOYSA-N 0 0 288.687 1.946 20 5 CDBDRN COC(=O)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000247867504 359194045 /nfs/dbraw/zinc/19/40/45/359194045.db2.gz YFIDFNNQYFBZOG-ZCFIWIBFSA-N 0 0 272.282 1.338 20 5 CDBDRN CN(Cc1nncn1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000288026356 359148151 /nfs/dbraw/zinc/14/81/51/359148151.db2.gz CPTJPGXFGQVKHU-UHFFFAOYSA-N 0 0 293.258 1.135 20 5 CDBDRN Cc1n[nH]c(C(=O)NC[C@@H]2CCCSC2)c1[N+](=O)[O-] ZINC000288019242 359150598 /nfs/dbraw/zinc/15/05/98/359150598.db2.gz JWADNUIHYBTTKF-QMMMGPOBSA-N 0 0 284.341 1.499 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)COC ZINC000288075239 359153670 /nfs/dbraw/zinc/15/36/70/359153670.db2.gz HDVHAAFFDQICGN-MRVPVSSYSA-N 0 0 256.306 1.814 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(CO)C2)c1 ZINC000338747389 359161306 /nfs/dbraw/zinc/16/13/06/359161306.db2.gz JQXOUZVHJMXYMD-CYBMUJFWSA-N 0 0 282.271 1.450 20 5 CDBDRN Cc1c(C(=O)N2CC[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000338750223 359169808 /nfs/dbraw/zinc/16/98/08/359169808.db2.gz PUKNYGJVGMYUBI-CYBMUJFWSA-N 0 0 282.271 1.450 20 5 CDBDRN CCNc1ccc(C(=O)N[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000048931069 359236451 /nfs/dbraw/zinc/23/64/51/359236451.db2.gz WAXNNGXUYVCLSH-VIFPVBQESA-N 0 0 281.312 1.791 20 5 CDBDRN CCC(CC)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111651802 359248403 /nfs/dbraw/zinc/24/84/03/359248403.db2.gz HKWDUOMBVSUDCR-CYBMUJFWSA-N 0 0 296.323 1.827 20 5 CDBDRN COC(=O)[C@H](C)CN(C)c1ncccc1[N+](=O)[O-] ZINC000050087661 359292371 /nfs/dbraw/zinc/29/23/71/359292371.db2.gz WGEFCCZFJPSWIV-MRVPVSSYSA-N 0 0 253.258 1.235 20 5 CDBDRN COC(=O)[C@H](C)CN(C)c1ccccc1[N+](=O)[O-] ZINC000050087706 359293239 /nfs/dbraw/zinc/29/32/39/359293239.db2.gz HUZQCLAESAIXJL-SECBINFHSA-N 0 0 252.270 1.840 20 5 CDBDRN O=C(NCCCO)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000119850957 359293950 /nfs/dbraw/zinc/29/39/50/359293950.db2.gz SKGIWOXEKWPALB-UHFFFAOYSA-N 0 0 292.213 1.726 20 5 CDBDRN O=C(NC1CCOCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050037611 359282352 /nfs/dbraw/zinc/28/23/52/359282352.db2.gz UTIVDCKGXOCSTA-UHFFFAOYSA-N 0 0 286.234 1.782 20 5 CDBDRN CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000350814817 359333541 /nfs/dbraw/zinc/33/35/41/359333541.db2.gz TZRBDIGWCJJXJQ-SNVBAGLBSA-N 0 0 294.311 1.679 20 5 CDBDRN COc1cc(N2C[C@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000487160231 359427886 /nfs/dbraw/zinc/42/78/86/359427886.db2.gz XNNRCAYACDKGDK-STQMWFEESA-N 0 0 282.296 1.453 20 5 CDBDRN COc1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)ccn1 ZINC000347738849 359472007 /nfs/dbraw/zinc/47/20/07/359472007.db2.gz OLKODQFDYNTRJX-UHFFFAOYSA-N 0 0 295.682 1.862 20 5 CDBDRN CC[C@@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000296824843 200008286 /nfs/dbraw/zinc/00/82/86/200008286.db2.gz GEKNXRVYSRAIFZ-SNVBAGLBSA-N 0 0 281.312 1.744 20 5 CDBDRN Cc1cnn(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000340143145 359569804 /nfs/dbraw/zinc/56/98/04/359569804.db2.gz HVHOEUVFAMWKND-UHFFFAOYSA-N 0 0 286.291 1.689 20 5 CDBDRN C[C@H]1CCC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000056266134 359583896 /nfs/dbraw/zinc/58/38/96/359583896.db2.gz QOJGRTJRWRHXBB-VHSXEESVSA-N 0 0 281.316 1.129 20 5 CDBDRN O=c1ccc([N+](=O)[O-])cn1CC1(F)CCOCC1 ZINC000571658856 359602562 /nfs/dbraw/zinc/60/25/62/359602562.db2.gz UOMMWWKLNZLZTI-UHFFFAOYSA-N 0 0 256.233 1.275 20 5 CDBDRN CC[C@H](C[C@H](C)CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340291933 359631014 /nfs/dbraw/zinc/63/10/14/359631014.db2.gz SSUBEYVXBONKRM-DTWKUNHWSA-N 0 0 269.301 1.450 20 5 CDBDRN O=[N+]([O-])c1c(N2CCCCC2)ncnc1N1CCOCC1 ZINC000040609399 359632975 /nfs/dbraw/zinc/63/29/75/359632975.db2.gz GCMSJJYWUUTGBJ-UHFFFAOYSA-N 0 0 293.327 1.212 20 5 CDBDRN COc1ccc(C(=O)N2CCO[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000167427288 237263640 /nfs/dbraw/zinc/26/36/40/237263640.db2.gz PUENKADFGYNDCT-NXEZZACHSA-N 0 0 294.307 1.853 20 5 CDBDRN Cc1nc(N[C@@H]2CCN(C(C)C)C2=O)ncc1[N+](=O)[O-] ZINC000297222181 200118366 /nfs/dbraw/zinc/11/83/66/200118366.db2.gz SUGYUNDTOALWFX-SECBINFHSA-N 0 0 279.300 1.114 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000408367227 359695365 /nfs/dbraw/zinc/69/53/65/359695365.db2.gz UCPFPIIEOAZYRT-AOOOYVTPSA-N 0 0 250.302 1.955 20 5 CDBDRN CCc1ccc(C(=O)N2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331020374 359744192 /nfs/dbraw/zinc/74/41/92/359744192.db2.gz RFJRZPNKCAHXQQ-BXKDBHETSA-N 0 0 278.308 1.753 20 5 CDBDRN C[C@@H]1OCCN(c2ncc([N+](=O)[O-])cc2F)[C@H]1C ZINC000408467353 359812786 /nfs/dbraw/zinc/81/27/86/359812786.db2.gz KYJZOPMWXPWQCA-YUMQZZPRSA-N 0 0 255.249 1.743 20 5 CDBDRN Cc1c(C(=O)NCc2c[nH]cn2)cccc1[N+](=O)[O-] ZINC000088752953 366555602 /nfs/dbraw/zinc/55/56/02/366555602.db2.gz UGDTWFZZNMVHKG-UHFFFAOYSA-N 0 0 260.253 1.556 20 5 CDBDRN COc1cc(Cn2ccc(=O)c([N+](=O)[O-])c2)ccn1 ZINC000342704750 359930137 /nfs/dbraw/zinc/93/01/37/359930137.db2.gz MTEVAUYNEMAJBW-UHFFFAOYSA-N 0 0 261.237 1.208 20 5 CDBDRN CCS(=O)(=O)CCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000270251032 359940126 /nfs/dbraw/zinc/94/01/26/359940126.db2.gz MKLZJORCQOUGCE-UHFFFAOYSA-N 0 0 286.353 1.774 20 5 CDBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](CO)C2)c1 ZINC000051884549 359947009 /nfs/dbraw/zinc/94/70/09/359947009.db2.gz XMMLANZXSNEISU-VIFPVBQESA-N 0 0 296.348 1.771 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)N(C)C ZINC000347991258 360025389 /nfs/dbraw/zinc/02/53/89/360025389.db2.gz MOKVQEMYQWFBOZ-UHFFFAOYSA-N 0 0 279.296 1.111 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCCO1 ZINC000299409853 360057332 /nfs/dbraw/zinc/05/73/32/360057332.db2.gz MXAHZWYHWOUBEE-LLVKDONJSA-N 0 0 296.327 1.175 20 5 CDBDRN Cc1cc(NC(=O)C(=O)N[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000298241996 200369326 /nfs/dbraw/zinc/36/93/26/200369326.db2.gz SGAGRHAPHTYJFP-NSHDSACASA-N 0 0 291.307 1.756 20 5 CDBDRN Cc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000176703716 189005163 /nfs/dbraw/zinc/00/51/63/189005163.db2.gz HFAFJDARKZBEQI-ZDUSSCGKSA-N 0 0 296.348 1.501 20 5 CDBDRN O=C(N[C@@H]1CCCCC[C@@H]1O)c1cc([N+](=O)[O-])c[nH]1 ZINC000135941320 360192681 /nfs/dbraw/zinc/19/26/81/360192681.db2.gz SHKQEAMLIJVYJV-KOLCDFICSA-N 0 0 267.285 1.346 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000177009654 189020503 /nfs/dbraw/zinc/02/05/03/189020503.db2.gz PKYGAAOICPUJKH-AOOOYVTPSA-N 0 0 264.285 1.050 20 5 CDBDRN CCSCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000337598570 360269151 /nfs/dbraw/zinc/26/91/51/360269151.db2.gz CBLXBLAYOWEXBQ-UHFFFAOYSA-N 0 0 272.330 1.201 20 5 CDBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000247969519 360275746 /nfs/dbraw/zinc/27/57/46/360275746.db2.gz RODPAWQITADDTL-YUMQZZPRSA-N 0 0 270.310 1.906 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1(O)CCSCC1 ZINC000154110053 360313906 /nfs/dbraw/zinc/31/39/06/360313906.db2.gz JDPQOUWWLAFELK-UHFFFAOYSA-N 0 0 282.321 1.791 20 5 CDBDRN CC1(O)CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000177429245 189050747 /nfs/dbraw/zinc/05/07/47/189050747.db2.gz OOVMZOGIEFIJJV-UHFFFAOYSA-N 0 0 293.323 1.651 20 5 CDBDRN O=c1cnccn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 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O=[N+]([O-])c1cnc(N[C@@H]2CCOC2)c(Br)c1 ZINC000087787869 285180739 /nfs/dbraw/zinc/18/07/39/285180739.db2.gz FYOMXHNOKKZHFN-ZCFIWIBFSA-N 0 0 288.101 1.953 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1O ZINC000288299069 197045808 /nfs/dbraw/zinc/04/58/08/197045808.db2.gz CBEUCRZOLOGUTR-ZJUUUORDSA-N 0 0 268.317 1.835 20 5 CDBDRN Cn1nncc1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000288232456 197032615 /nfs/dbraw/zinc/03/26/15/197032615.db2.gz NMVBPOLKRWYUHD-UHFFFAOYSA-N 0 0 274.284 1.303 20 5 CDBDRN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](O)C2)s1 ZINC000288164519 197017497 /nfs/dbraw/zinc/01/74/97/197017497.db2.gz ZTUXBKZEQRJGHA-ZCFIWIBFSA-N 0 0 266.282 1.171 20 5 CDBDRN COCCCONC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000288110613 197006127 /nfs/dbraw/zinc/00/61/27/197006127.db2.gz VMUWAHLOMCTSOM-UHFFFAOYSA-N 0 0 297.311 1.704 20 5 CDBDRN C[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000174050826 296411167 /nfs/dbraw/zinc/41/11/67/296411167.db2.gz LPAFVMPGBSTEOA-SECBINFHSA-N 0 0 270.310 1.768 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/nfs/dbraw/zinc/18/82/73/390188273.db2.gz IHVAKZUGEIGSKB-SFYZADRCSA-N 0 0 254.290 1.872 20 5 CDBDRN C[C@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCO[C@H]1C1CC1 ZINC000286009244 390190152 /nfs/dbraw/zinc/19/01/52/390190152.db2.gz IBWBJDJYROCTDV-JQWIXIFHSA-N 0 0 280.284 1.005 20 5 CDBDRN C[C@H](CCCO)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000094945140 184899084 /nfs/dbraw/zinc/89/90/84/184899084.db2.gz PQICSQDDJVLGPO-SNVBAGLBSA-N 0 0 266.297 1.415 20 5 CDBDRN CCNC(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286163847 390193271 /nfs/dbraw/zinc/19/32/71/390193271.db2.gz OWMFLGOQHIXXLL-UHFFFAOYSA-N 0 0 296.302 1.585 20 5 CDBDRN Cc1nn(C[C@@](C)(O)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000336787675 390198874 /nfs/dbraw/zinc/19/88/74/390198874.db2.gz FOFFVFBVEHPFQA-MRVPVSSYSA-N 0 0 267.207 1.721 20 5 CDBDRN C[S@@](=O)C1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000281681895 195335373 /nfs/dbraw/zinc/33/53/73/195335373.db2.gz MKBZOOQFZNXCJE-QGZVFWFLSA-N 0 0 255.299 1.313 20 5 CDBDRN CCc1ncc(CNc2ncc([N+](=O)[O-])c(C)n2)o1 ZINC000450849768 390560366 /nfs/dbraw/zinc/56/03/66/390560366.db2.gz VLKNNLYTIHQPBU-UHFFFAOYSA-N 0 0 263.257 1.278 20 5 CDBDRN CC(=O)c1ccc(OCC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000450890066 390570849 /nfs/dbraw/zinc/57/08/49/390570849.db2.gz FQEORPFQAWUNJB-QMMMGPOBSA-N 0 0 253.254 1.947 20 5 CDBDRN Cc1nn(CCC(=O)NCC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000263653027 390620325 /nfs/dbraw/zinc/62/03/25/390620325.db2.gz HLJLRLDZPQIGJD-UHFFFAOYSA-N 0 0 294.233 1.477 20 5 CDBDRN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC(=O)N1 ZINC000451643059 390639188 /nfs/dbraw/zinc/63/91/88/390639188.db2.gz ZXDDHDPUTLUQFO-MRVPVSSYSA-N 0 0 283.715 1.569 20 5 CDBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](F)C1 ZINC000451655011 390639784 /nfs/dbraw/zinc/63/97/84/390639784.db2.gz QMIAHISRPAUPJH-VIFPVBQESA-N 0 0 288.300 1.636 20 5 CDBDRN CNC(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000048892760 390674906 /nfs/dbraw/zinc/67/49/06/390674906.db2.gz RWOYKVXXGFJTRR-JTQLQIEISA-N 0 0 279.296 1.545 20 5 CDBDRN Cc1nn(C)c(C(=O)N[C@@H]2C=CCCC2)c1[N+](=O)[O-] ZINC000158656786 390813648 /nfs/dbraw/zinc/81/36/48/390813648.db2.gz VXSRQOBRVCYTER-SECBINFHSA-N 0 0 264.285 1.475 20 5 CDBDRN CC[C@@H]1[C@@H](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000187430571 390818752 /nfs/dbraw/zinc/81/87/52/390818752.db2.gz JUYRICGFDNXUQD-CMPLNLGQSA-N 0 0 280.328 1.828 20 5 CDBDRN C[C@]1(O)CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000235771361 390945982 /nfs/dbraw/zinc/94/59/82/390945982.db2.gz UHBGDEJDFZKENA-JTQLQIEISA-N 0 0 291.229 1.970 20 5 CDBDRN CN(C(=O)[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])nc1 ZINC000574076226 390988543 /nfs/dbraw/zinc/98/85/43/390988543.db2.gz XRBALDXNGWFFEZ-WDEREUQCSA-N 0 0 261.281 1.999 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000574086253 391010411 /nfs/dbraw/zinc/01/04/11/391010411.db2.gz CEVPLQNFTBQXSR-YPMHNXCESA-N 0 0 276.292 1.846 20 5 CDBDRN CO[C@@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000189202117 391093714 /nfs/dbraw/zinc/09/37/14/391093714.db2.gz NAMOEUPFTNYIOB-VIFPVBQESA-N 0 0 252.270 1.668 20 5 CDBDRN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H](F)[C@@H](F)C1 ZINC000295737031 391127431 /nfs/dbraw/zinc/12/74/31/391127431.db2.gz NCJHSWSCEKALHG-KNVOCYPGSA-N 0 0 262.237 1.788 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000183102853 391129800 /nfs/dbraw/zinc/12/98/00/391129800.db2.gz FRIDIGODQIRUEI-VIFPVBQESA-N 0 0 296.327 1.404 20 5 CDBDRN C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC(=O)N1 ZINC000295752116 391130074 /nfs/dbraw/zinc/13/00/74/391130074.db2.gz NXGAGDXKWWKZRV-VIFPVBQESA-N 0 0 286.291 1.468 20 5 CDBDRN Cc1ccc(CN2CCN(C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000190084659 391155969 /nfs/dbraw/zinc/15/59/69/391155969.db2.gz IJFJVKAICUDNFW-NSHDSACASA-N 0 0 277.324 1.566 20 5 CDBDRN O=C1CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CN1 ZINC000413102906 391157842 /nfs/dbraw/zinc/15/78/42/391157842.db2.gz IPDKAQBJJSHNSZ-SNVBAGLBSA-N 0 0 286.291 1.834 20 5 CDBDRN COc1cccc(C(=O)NC[C@H](C)OC)c1[N+](=O)[O-] ZINC000192933306 533409673 /nfs/dbraw/zinc/40/96/73/533409673.db2.gz JRYRZPAUXWQCMV-QMMMGPOBSA-N 0 0 268.269 1.368 20 5 CDBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H](O)C1 ZINC000439737443 391174660 /nfs/dbraw/zinc/17/46/60/391174660.db2.gz XZZXASGJLXIQJG-OCCSQVGLSA-N 0 0 292.335 1.805 20 5 CDBDRN CC(C)OC(=O)[C@H](C)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000413203600 391177726 /nfs/dbraw/zinc/17/77/26/391177726.db2.gz XKNZMEOGXWGWRB-QMMMGPOBSA-N 0 0 285.275 1.905 20 5 CDBDRN Cc1cnc(OCC[C@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC000267921811 391178461 /nfs/dbraw/zinc/17/84/61/391178461.db2.gz FOHLOZBIKPDWSQ-VIFPVBQESA-N 0 0 266.253 1.630 20 5 CDBDRN CC(C)[C@H](CO)CNc1ncc([N+](=O)[O-])cc1F ZINC000413287573 391191169 /nfs/dbraw/zinc/19/11/69/391191169.db2.gz BPLWMBKGCQAPKJ-QMMMGPOBSA-N 0 0 257.265 1.805 20 5 CDBDRN CCc1nn(C)c(N2CCO[C@H](CF)C2)c1[N+](=O)[O-] ZINC000413482199 391219941 /nfs/dbraw/zinc/21/99/41/391219941.db2.gz YIFZKARCPWZJTQ-MRVPVSSYSA-N 0 0 272.280 1.065 20 5 CDBDRN COC(=O)[C@H](CC1CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000413493046 391220663 /nfs/dbraw/zinc/22/06/63/391220663.db2.gz LGXAHRQKDHTJLC-QMMMGPOBSA-N 0 0 268.273 1.082 20 5 CDBDRN Cc1cc(N2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000413505046 391224119 /nfs/dbraw/zinc/22/41/19/391224119.db2.gz DAFVEGKVPHQYOL-LLVKDONJSA-N 0 0 277.324 1.818 20 5 CDBDRN Cc1cnc(N[C@@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000413544587 391237878 /nfs/dbraw/zinc/23/78/78/391237878.db2.gz NUPLQPAWNAOZGY-QWRGUYRKSA-N 0 0 281.312 1.498 20 5 CDBDRN Cc1cc(NCCOc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000517668915 391247985 /nfs/dbraw/zinc/24/79/85/391247985.db2.gz JWEBGQKVFJDLBR-UHFFFAOYSA-N 0 0 274.280 1.606 20 5 CDBDRN CC(C)c1nnc(CNc2ncc([N+](=O)[O-])cc2F)[nH]1 ZINC000413333738 391202335 /nfs/dbraw/zinc/20/23/35/391202335.db2.gz RPSCYNLCMQGHOQ-UHFFFAOYSA-N 0 0 280.263 1.983 20 5 CDBDRN C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CS1 ZINC000413966393 391281772 /nfs/dbraw/zinc/28/17/72/391281772.db2.gz ZGCABQCJXVMVLP-BDAKNGLRSA-N 0 0 298.368 1.537 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@H](CC)[C@@H](O)CC)c1[N+](=O)[O-] ZINC000456691412 391333520 /nfs/dbraw/zinc/33/35/20/391333520.db2.gz FFWQXDJKHANYQS-SCZZXKLOSA-N 0 0 298.343 1.550 20 5 CDBDRN CC(C)OCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000183657552 391287178 /nfs/dbraw/zinc/28/71/78/391287178.db2.gz UVHSKQWALQQUGJ-UHFFFAOYSA-N 0 0 295.339 1.938 20 5 CDBDRN C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000408086139 391293740 /nfs/dbraw/zinc/29/37/40/391293740.db2.gz GNRODBUIRNAUAC-BDAKNGLRSA-N 0 0 283.353 1.821 20 5 CDBDRN Cn1ccnc(NCc2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000183980247 391378694 /nfs/dbraw/zinc/37/86/94/391378694.db2.gz XLNCYSLJQKOHRG-UHFFFAOYSA-N 0 0 294.698 1.954 20 5 CDBDRN CC[C@H](C)[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268601313 391382393 /nfs/dbraw/zinc/38/23/93/391382393.db2.gz MIBXYKANCBWMIN-JOYOIKCWSA-N 0 0 266.297 1.732 20 5 CDBDRN CCO[C@@H]1C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000520715497 391470106 /nfs/dbraw/zinc/47/01/06/391470106.db2.gz DQRKWUOMDPLDEC-ZWNOBZJWSA-N 0 0 294.307 1.657 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CCC=C(F)C2)c1[N+](=O)[O-] ZINC000272085635 533660863 /nfs/dbraw/zinc/66/08/63/533660863.db2.gz KEJJZRUCFXXNFW-UHFFFAOYSA-N 0 0 254.221 1.326 20 5 CDBDRN C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184589490 391559234 /nfs/dbraw/zinc/55/92/34/391559234.db2.gz JBNOBZKXMZTCIC-UHFFFAOYSA-N 0 0 279.296 1.078 20 5 CDBDRN CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[C@H](O)CC1 ZINC000439300706 391583847 /nfs/dbraw/zinc/58/38/47/391583847.db2.gz ZMFGKOJGWYVYNZ-MGCOHNPYSA-N 0 0 268.317 1.064 20 5 CDBDRN COC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407182 391604153 /nfs/dbraw/zinc/60/41/53/391604153.db2.gz FLPFFYOQMJKHOA-UHFFFAOYSA-N 0 0 284.287 1.818 20 5 CDBDRN CCNC(=O)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182340784 391662798 /nfs/dbraw/zinc/66/27/98/391662798.db2.gz KYVVNVLGZIJFPG-MRVPVSSYSA-N 0 0 297.286 1.090 20 5 CDBDRN Cn1cc(C(=O)NCCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437689589 391665609 /nfs/dbraw/zinc/66/56/09/391665609.db2.gz TYBKVBWQVOUCJZ-UHFFFAOYSA-N 0 0 292.270 1.695 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cc(F)c1=O)C1CCCC1 ZINC000517370838 391851765 /nfs/dbraw/zinc/85/17/65/391851765.db2.gz LPVZSMPQAREBFK-UHFFFAOYSA-N 0 0 297.286 1.202 20 5 CDBDRN CO[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC(C)C ZINC000416260666 391889919 /nfs/dbraw/zinc/88/99/19/391889919.db2.gz KMQACMCNHWQIQR-SNVBAGLBSA-N 0 0 297.311 1.486 20 5 CDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccncc1 ZINC000357041433 391937501 /nfs/dbraw/zinc/93/75/01/391937501.db2.gz FFBPTYBUIIFJCX-SNVBAGLBSA-N 0 0 289.295 1.604 20 5 CDBDRN Cc1c(C(=O)N[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000133985816 391937577 /nfs/dbraw/zinc/93/75/77/391937577.db2.gz DYUPTTPJTDRLIA-JQWIXIFHSA-N 0 0 264.281 1.546 20 5 CDBDRN CCN1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1=O ZINC000495206896 391905477 /nfs/dbraw/zinc/90/54/77/391905477.db2.gz AJEKRJIZLQXPJB-NSHDSACASA-N 0 0 277.324 1.647 20 5 CDBDRN Cc1cc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000495175723 391905636 /nfs/dbraw/zinc/90/56/36/391905636.db2.gz VCZKEZAPSBMVBR-UHFFFAOYSA-N 0 0 288.307 1.965 20 5 CDBDRN C[C@H](NC(=O)[C@H]1NC(=O)O[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000496604844 391925348 /nfs/dbraw/zinc/92/53/48/391925348.db2.gz IQKMHXVSPVKOAX-LAEOZQHASA-N 0 0 293.279 1.269 20 5 CDBDRN COC(=O)NCCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000496750982 391926648 /nfs/dbraw/zinc/92/66/48/391926648.db2.gz XWNSFWOVDBSRDX-VIFPVBQESA-N 0 0 295.295 1.518 20 5 CDBDRN CN(C)C(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000190309541 392015286 /nfs/dbraw/zinc/01/52/86/392015286.db2.gz FHZYUWDNCDFKIM-SSDOTTSWSA-N 0 0 270.314 1.108 20 5 CDBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccsc1 ZINC000525185895 391962701 /nfs/dbraw/zinc/96/27/01/391962701.db2.gz WGKVTIGSEYKLOR-UHFFFAOYSA-N 0 0 299.333 1.530 20 5 CDBDRN CCOCCCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000194112202 392129750 /nfs/dbraw/zinc/12/97/50/392129750.db2.gz IWQFVTNAAXWMSJ-UHFFFAOYSA-N 0 0 283.284 1.242 20 5 CDBDRN CC[C@@H](COC)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194420148 392180326 /nfs/dbraw/zinc/18/03/26/392180326.db2.gz FCDAFXHQCXIYRN-VIFPVBQESA-N 0 0 282.296 1.758 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCSC1 ZINC000228608201 130871515 /nfs/dbraw/zinc/87/15/15/130871515.db2.gz FYGSHABMFPQWOQ-QMMMGPOBSA-N 0 0 281.337 1.660 20 5 CDBDRN COC[C@H](CCO)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000229801043 130886273 /nfs/dbraw/zinc/88/62/73/130886273.db2.gz XOWREHNIRWZKGP-JTQLQIEISA-N 0 0 282.296 1.030 20 5 CDBDRN CC[C@@](COC)(NCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000459586345 392480013 /nfs/dbraw/zinc/48/00/13/392480013.db2.gz JJWRYGOYCVBXGT-AWEZNQCLSA-N 0 0 296.323 1.653 20 5 CDBDRN CO[C@@H]1COC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000459748622 392503076 /nfs/dbraw/zinc/50/30/76/392503076.db2.gz FGUUUURYZUYYAW-DTWKUNHWSA-N 0 0 258.299 1.160 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CC[C@@H](OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000442899304 392506777 /nfs/dbraw/zinc/50/67/77/392506777.db2.gz QBUAIYKHAMGTOS-RKDXNWHRSA-N 0 0 296.327 1.520 20 5 CDBDRN C[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548942387 392516965 /nfs/dbraw/zinc/51/69/65/392516965.db2.gz CHEDBEQCYFDQPS-MRTMQBJTSA-N 0 0 266.301 1.872 20 5 CDBDRN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000595453177 392569884 /nfs/dbraw/zinc/56/98/84/392569884.db2.gz DPZAPJAVEOIUSK-JOYOIKCWSA-N 0 0 284.287 1.316 20 5 CDBDRN C[C@H](Cc1ccncc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000487678882 392744980 /nfs/dbraw/zinc/74/49/80/392744980.db2.gz QRBUCMDTOVCRGJ-MRVPVSSYSA-N 0 0 274.284 1.235 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCOC1 ZINC000091550274 392758308 /nfs/dbraw/zinc/75/83/08/392758308.db2.gz HMVZDNHYJIWGLO-JTQLQIEISA-N 0 0 268.317 1.958 20 5 CDBDRN CCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000194579081 392797641 /nfs/dbraw/zinc/79/76/41/392797641.db2.gz CGEIIZIIKYCLID-UHFFFAOYSA-N 0 0 295.295 1.337 20 5 CDBDRN C[C@@H]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1C ZINC000420223343 392906532 /nfs/dbraw/zinc/90/65/32/392906532.db2.gz UZNFPHQODDHETH-HLTSFMKQSA-N 0 0 279.296 1.812 20 5 CDBDRN C[C@H]1C(=O)NCCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000297429129 392914623 /nfs/dbraw/zinc/91/46/23/392914623.db2.gz HUMGQYKMDMNRAF-VIFPVBQESA-N 0 0 286.291 1.468 20 5 CDBDRN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCCCCO ZINC000130544580 392915883 /nfs/dbraw/zinc/91/58/83/392915883.db2.gz ONEHYICQPBZJJK-UHFFFAOYSA-N 0 0 293.279 1.574 20 5 CDBDRN COc1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000420981759 392924509 /nfs/dbraw/zinc/92/45/09/392924509.db2.gz GPMSTHOUYYACBJ-GFCCVEGCSA-N 0 0 293.323 1.314 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424982825 392982211 /nfs/dbraw/zinc/98/22/11/392982211.db2.gz PAJYJEXPRFTEDZ-NWDGAFQWSA-N 0 0 278.312 1.486 20 5 CDBDRN Cc1cc(N2CC(O)(C(F)F)C2)ncc1[N+](=O)[O-] ZINC000425270663 393012386 /nfs/dbraw/zinc/01/23/86/393012386.db2.gz ASNOUCXRDKAWBT-UHFFFAOYSA-N 0 0 259.212 1.114 20 5 CDBDRN Cc1ccc(CN2CC(O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000425349384 393020812 /nfs/dbraw/zinc/02/08/12/393020812.db2.gz QFQRUNSHPBQOCP-UHFFFAOYSA-N 0 0 272.251 1.715 20 5 CDBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC12CC2 ZINC000425794420 393029483 /nfs/dbraw/zinc/02/94/83/393029483.db2.gz DCQNGXMLTDMULF-SNVBAGLBSA-N 0 0 293.254 1.341 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1CN1CC[S@](=O)[C@H](C)C1 ZINC000430228757 393095376 /nfs/dbraw/zinc/09/53/76/393095376.db2.gz UCUFQIPNUJMIMN-SBKAZYGRSA-N 0 0 298.364 1.556 20 5 CDBDRN Cc1cc(C(=O)N[C@@H](CO)CC(F)F)cc([N+](=O)[O-])c1 ZINC000430524913 393098958 /nfs/dbraw/zinc/09/89/58/393098958.db2.gz NGQZPSMWIWLWAF-SECBINFHSA-N 0 0 288.250 1.649 20 5 CDBDRN C[C@@H](NC(=O)C1(C(N)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000530875016 393055356 /nfs/dbraw/zinc/05/53/56/393055356.db2.gz MCQURXHUWHPWIL-SECBINFHSA-N 0 0 291.307 1.428 20 5 CDBDRN CC1CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000531462769 393061190 /nfs/dbraw/zinc/06/11/90/393061190.db2.gz FJLBQDIMWMTIER-UHFFFAOYSA-N 0 0 278.264 1.852 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CO ZINC000282055691 393170821 /nfs/dbraw/zinc/17/08/21/393170821.db2.gz VPIOYIDBAGXLNB-SECBINFHSA-N 0 0 297.311 1.743 20 5 CDBDRN CC[C@H](CCO)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124607087 393141747 /nfs/dbraw/zinc/14/17/47/393141747.db2.gz RSGTYEXFZXZVHF-MRVPVSSYSA-N 0 0 268.273 1.272 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000332610666 393154471 /nfs/dbraw/zinc/15/44/71/393154471.db2.gz DCAIXMAJLSVCKS-LURJTMIESA-N 0 0 256.237 1.064 20 5 CDBDRN CC(C)(C)[C@@H](O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000332699777 393155134 /nfs/dbraw/zinc/15/51/34/393155134.db2.gz IYIKAVUQMUUZQL-LBPRGKRZSA-N 0 0 291.307 1.712 20 5 CDBDRN COCC[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000281936612 393162888 /nfs/dbraw/zinc/16/28/88/393162888.db2.gz RXTBCAPYHKTZMK-ZETCQYMHSA-N 0 0 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CC(C)O[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592662729 342716439 /nfs/dbraw/zinc/71/64/39/342716439.db2.gz NKRKWFSGTVPPLP-GFCCVEGCSA-N 0 0 296.327 1.207 20 5 CDBDRN CC[C@H](C)C[C@H](CO)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592873727 342742714 /nfs/dbraw/zinc/74/27/14/342742714.db2.gz OMOJPUZIASQWKO-VHSXEESVSA-N 0 0 295.339 1.704 20 5 CDBDRN CC[C@@H](C)C[C@H](CO)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000592875578 342742951 /nfs/dbraw/zinc/74/29/51/342742951.db2.gz UESDVIUHMSFUJI-PSASIEDQSA-N 0 0 298.343 1.164 20 5 CDBDRN C[C@H]1SCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000592904056 342745797 /nfs/dbraw/zinc/74/57/97/342745797.db2.gz LBHLXYXCLHAZAF-RNFRBKRXSA-N 0 0 255.299 1.547 20 5 CDBDRN Cc1cccc(C(=O)N[C@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000592729351 342723009 /nfs/dbraw/zinc/72/30/09/342723009.db2.gz MJCRKYMXRYLQPT-VHSXEESVSA-N 0 0 264.281 1.810 20 5 CDBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCSC1 ZINC000593076471 342762986 /nfs/dbraw/zinc/76/29/86/342762986.db2.gz 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ZINC000593879629 342844073 /nfs/dbraw/zinc/84/40/73/342844073.db2.gz ILNRMTRNTQPCML-LLVKDONJSA-N 0 0 280.324 1.757 20 5 CDBDRN CC[C@@H](COC)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000151142357 539051882 /nfs/dbraw/zinc/05/18/82/539051882.db2.gz BASKCJCLKSAZJA-VIFPVBQESA-N 0 0 282.296 1.758 20 5 CDBDRN CN(C(=O)C[C@H]1CCCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000588833960 342222935 /nfs/dbraw/zinc/22/29/35/342222935.db2.gz XIDJSROHAWDTCB-SNVBAGLBSA-N 0 0 291.307 1.616 20 5 CDBDRN COc1cccc(C(=O)N(C)C[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000618229284 342223996 /nfs/dbraw/zinc/22/39/96/342223996.db2.gz KZJOBESTKNLXFW-NSHDSACASA-N 0 0 294.307 1.446 20 5 CDBDRN C[C@H](Cc1ccccn1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000594402843 342900428 /nfs/dbraw/zinc/90/04/28/342900428.db2.gz UDPVXVKRFVANQW-MRVPVSSYSA-N 0 0 275.268 1.074 20 5 CDBDRN C[C@@H]1OCC[C@@]12CN(c1cccnc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619158437 349643616 /nfs/dbraw/zinc/64/36/16/349643616.db2.gz RKCCHNWLRLGXAY-UHIISALHSA-N 0 0 293.323 1.763 20 5 CDBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H](C2CC2)C1 ZINC000534262153 282170859 /nfs/dbraw/zinc/17/08/59/282170859.db2.gz PWOIYFLWHOYOCM-JTQLQIEISA-N 0 0 297.336 1.410 20 5 CDBDRN O=C(NCCn1ccnn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000611797494 346883455 /nfs/dbraw/zinc/88/34/55/346883455.db2.gz ZKYLQMNLMFOFDG-UHFFFAOYSA-N 0 0 295.686 1.270 20 5 CDBDRN Cc1cnc(CNC(=O)c2c([N+](=O)[O-])cnn2C)s1 ZINC000534308815 282182970 /nfs/dbraw/zinc/18/29/70/282182970.db2.gz IVVTVMDGDIJCPY-UHFFFAOYSA-N 0 0 281.297 1.023 20 5 CDBDRN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC ZINC000291894715 529487802 /nfs/dbraw/zinc/48/78/02/529487802.db2.gz ILEMAIVXUBPTCN-NSHDSACASA-N 0 0 297.267 1.658 20 5 CDBDRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000125861969 187203076 /nfs/dbraw/zinc/20/30/76/187203076.db2.gz IUKWZPWJRQGKQC-WCBMZHEXSA-N 0 0 298.368 1.732 20 5 CDBDRN Cc1ccc(-c2nc(C[S@](C)=O)no2)cc1[N+](=O)[O-] ZINC000273882758 192348143 /nfs/dbraw/zinc/34/81/43/192348143.db2.gz 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294.307 1.712 20 5 CDBDRN COCCNC(=O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228745444 363716681 /nfs/dbraw/zinc/71/66/81/363716681.db2.gz DEMGXHZJSBFYOK-UHFFFAOYSA-N 0 0 287.703 1.423 20 5 CDBDRN CN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000548168618 360442361 /nfs/dbraw/zinc/44/23/61/360442361.db2.gz BQPQCKQNAOBCFV-UHFFFAOYSA-N 0 0 290.279 1.306 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C)[nH]c1=O ZINC000348134571 360474170 /nfs/dbraw/zinc/47/41/70/360474170.db2.gz PJKCDVLONKRQSX-UHFFFAOYSA-N 0 0 291.267 1.147 20 5 CDBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](CO)C1CCCC1 ZINC000353274974 360476296 /nfs/dbraw/zinc/47/62/96/360476296.db2.gz IUGDQMAXMGRHBM-NSHDSACASA-N 0 0 294.311 1.084 20 5 CDBDRN C[C@H]1NC(=S)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000270386233 360468612 /nfs/dbraw/zinc/46/86/12/360468612.db2.gz AKSHZNRSKYCHCQ-MRVPVSSYSA-N 0 0 279.321 1.243 20 5 CDBDRN COC(=O)NCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177854265 189074112 /nfs/dbraw/zinc/07/41/12/189074112.db2.gz 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O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC(=O)C1CC1 ZINC000179609744 189206863 /nfs/dbraw/zinc/20/68/63/189206863.db2.gz WUVSKNOFJACNSL-UHFFFAOYSA-N 0 0 296.710 1.886 20 5 CDBDRN COc1ccc(OCN2CCCCC2=O)c([N+](=O)[O-])c1 ZINC000180489146 189258530 /nfs/dbraw/zinc/25/85/30/189258530.db2.gz DFUVPIPUCINIHL-UHFFFAOYSA-N 0 0 280.280 1.952 20 5 CDBDRN C[C@@H](C(=O)N1CCC(C)CC1)n1cc([N+](=O)[O-])cn1 ZINC000180507101 189259572 /nfs/dbraw/zinc/25/95/72/189259572.db2.gz OXWGCFHORGJMSI-JTQLQIEISA-N 0 0 266.301 1.611 20 5 CDBDRN O=C1[C@H](Nc2ncc([N+](=O)[O-])s2)CN1c1ccccc1 ZINC000367160128 361179634 /nfs/dbraw/zinc/17/96/34/361179634.db2.gz NZOHNIGPIWRSAX-SECBINFHSA-N 0 0 290.304 1.879 20 5 CDBDRN C[C@@H]1OCC[C@@]1(C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000345540664 361180984 /nfs/dbraw/zinc/18/09/84/361180984.db2.gz KENIVOGAEGBEFI-IINYFYTJSA-N 0 0 293.323 1.690 20 5 CDBDRN C[C@H]1CSCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000172453686 361196721 /nfs/dbraw/zinc/19/67/21/361196721.db2.gz GZRCUQOYKPRUDM-JTQLQIEISA-N 0 0 295.364 1.971 20 5 CDBDRN COC(=O)c1ccc(OC[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000180936310 189284323 /nfs/dbraw/zinc/28/43/23/189284323.db2.gz UMEYXLCJKKOQTL-MRVPVSSYSA-N 0 0 269.253 1.795 20 5 CDBDRN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191734865 361280237 /nfs/dbraw/zinc/28/02/37/361280237.db2.gz VVFCOYCNONGVJI-PWSUYJOCSA-N 0 0 294.307 1.125 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@@H](F)C1 ZINC000345633120 361281049 /nfs/dbraw/zinc/28/10/49/361281049.db2.gz MPMLYTCXCRQXPP-ZJUUUORDSA-N 0 0 282.271 1.980 20 5 CDBDRN CC(C)(C)C[C@H](O)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181097449 189288597 /nfs/dbraw/zinc/28/85/97/189288597.db2.gz IDKHYMCALYLKHM-VIFPVBQESA-N 0 0 295.339 1.704 20 5 CDBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000345613895 361257093 /nfs/dbraw/zinc/25/70/93/361257093.db2.gz RGPCUEZINXFTQL-UHFFFAOYSA-N 0 0 291.238 1.534 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCC1(C)OCCO1 ZINC000181247343 189291977 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Cc1c(CN2C[C@@H](CO)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000129695223 361412811 /nfs/dbraw/zinc/41/28/11/361412811.db2.gz WGXZFKQDWQZERO-GWCFXTLKSA-N 0 0 280.324 1.485 20 5 CDBDRN Cc1nc(N[C@H](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000301684061 201135751 /nfs/dbraw/zinc/13/57/51/201135751.db2.gz WINTUZRWBOBDPE-SNVBAGLBSA-N 0 0 251.286 1.871 20 5 CDBDRN C[C@@H]1C(=O)N(C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000190081938 238797353 /nfs/dbraw/zinc/79/73/53/238797353.db2.gz QBPJGNFDWZDUTE-HOSRBBHYSA-N 0 0 289.335 1.771 20 5 CDBDRN Cn1nccc1CN1CCc2c1cccc2[N+](=O)[O-] ZINC000183624852 189364616 /nfs/dbraw/zinc/36/46/16/189364616.db2.gz OIVYXOVGIRAFSU-UHFFFAOYSA-N 0 0 258.281 1.891 20 5 CDBDRN Nc1nc(Oc2ccc(Cl)nc2)ncc1[N+](=O)[O-] ZINC000301766600 201184291 /nfs/dbraw/zinc/18/42/91/201184291.db2.gz NTBXFCWOXXYKKG-UHFFFAOYSA-N 0 0 267.632 1.808 20 5 CDBDRN C[C@H]1[C@@H](CO)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000413585649 291277303 /nfs/dbraw/zinc/27/73/03/291277303.db2.gz DDBRMQAQECEPRI-DTWKUNHWSA-N 0 0 296.352 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Cc1c(CC(=O)NCCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000275006169 374687642 /nfs/dbraw/zinc/68/76/42/374687642.db2.gz XFXSDRCAHCBOQN-UHFFFAOYSA-N 0 0 280.324 1.723 20 5 CDBDRN CCO[C@H]1C[C@](O)(CNc2ncccc2[N+](=O)[O-])C1(C)C ZINC000276884027 374757094 /nfs/dbraw/zinc/75/70/94/374757094.db2.gz KQMJFRKUWUHDNA-FZMZJTMJSA-N 0 0 295.339 1.968 20 5 CDBDRN COCC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000447839447 374717704 /nfs/dbraw/zinc/71/77/04/374717704.db2.gz KHZZJZLIAMFHSK-UHFFFAOYSA-N 0 0 279.296 1.286 20 5 CDBDRN Cc1nnc(CCNc2ncccc2[N+](=O)[O-])n1C ZINC000276642172 374739781 /nfs/dbraw/zinc/73/97/81/374739781.db2.gz XSOPACUFRCLICJ-UHFFFAOYSA-N 0 0 262.273 1.081 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(C)(O)C1 ZINC000277580477 374795564 /nfs/dbraw/zinc/79/55/64/374795564.db2.gz CUUOFVCQGJTOSK-UHFFFAOYSA-N 0 0 278.308 1.727 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1(CO)COC1 ZINC000277678834 374801932 /nfs/dbraw/zinc/80/19/32/374801932.db2.gz AVFLMIGERAQDEP-UHFFFAOYSA-N 0 0 286.715 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CDBDRN CCN(C[C@@H](C)O)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000353331880 375598915 /nfs/dbraw/zinc/59/89/15/375598915.db2.gz WVEUBCWCQKHTSG-MRVPVSSYSA-N 0 0 285.275 1.969 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCCC(C)(C)C1 ZINC000353380501 375603535 /nfs/dbraw/zinc/60/35/35/375603535.db2.gz LSGAXLZMLFVXRY-UHFFFAOYSA-N 0 0 280.328 1.981 20 5 CDBDRN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293998243 375604661 /nfs/dbraw/zinc/60/46/61/375604661.db2.gz OQBMYAGTVOTQOE-JTQLQIEISA-N 0 0 282.296 1.203 20 5 CDBDRN NC(=O)CCCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000427188412 247109916 /nfs/dbraw/zinc/10/99/16/247109916.db2.gz ZSWFVPCPLAYLHM-UHFFFAOYSA-N 0 0 299.714 1.520 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(C)n2)c1 ZINC000344904001 375652289 /nfs/dbraw/zinc/65/22/89/375652289.db2.gz VAVHHWNUWDUGQN-UHFFFAOYSA-N 0 0 288.263 1.954 20 5 CDBDRN C[C@@H]1OCC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000228010451 375664843 /nfs/dbraw/zinc/66/48/43/375664843.db2.gz UVCREUSNFXICOC-JOYOIKCWSA-N 0 0 252.270 1.547 20 5 CDBDRN CC1(C)CCC[C@@]1(O)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000294106032 375682628 /nfs/dbraw/zinc/68/26/28/375682628.db2.gz JHZHKNNAVXWTKD-CYBMUJFWSA-N 0 0 282.296 1.859 20 5 CDBDRN Cc1nc(NC(=O)COc2cccc([N+](=O)[O-])c2)nn1C ZINC000294122251 375684382 /nfs/dbraw/zinc/68/43/82/375684382.db2.gz KAJYBXCADOTYJL-UHFFFAOYSA-N 0 0 291.267 1.049 20 5 CDBDRN Cc1nn(C)c(N(C)CCCOC(C)C)c1[N+](=O)[O-] ZINC000354355042 375701244 /nfs/dbraw/zinc/70/12/44/375701244.db2.gz WMFGLJLLKBEMIY-UHFFFAOYSA-N 0 0 270.333 1.888 20 5 CDBDRN CN1CC2(CN(Cc3ccccc3[N+](=O)[O-])C2)OC1=O ZINC000496144607 375716688 /nfs/dbraw/zinc/71/66/88/375716688.db2.gz ZJQCHDBXFKXVQL-UHFFFAOYSA-N 0 0 277.280 1.231 20 5 CDBDRN COc1cc(F)cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000354574643 375726423 /nfs/dbraw/zinc/72/64/23/375726423.db2.gz VZPQPEKREXNGIV-UHFFFAOYSA-N 0 0 294.242 1.396 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])c(CO)c1)[C@H]1CCCOC1 ZINC000428079705 247238780 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CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)nc1 ZINC000345083465 375777329 /nfs/dbraw/zinc/77/73/29/375777329.db2.gz USYMDDVSASXBLI-UHFFFAOYSA-N 0 0 275.268 1.636 20 5 CDBDRN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H](CO)CC(F)F ZINC000428658819 247342833 /nfs/dbraw/zinc/34/28/33/247342833.db2.gz SNONBAJWGIYOJS-SECBINFHSA-N 0 0 297.261 1.993 20 5 CDBDRN Cc1nn([C@@H](C)c2nc(C)cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000294229710 375800813 /nfs/dbraw/zinc/80/08/13/375800813.db2.gz OFENTSJMVIGESH-QMMMGPOBSA-N 0 0 263.257 1.513 20 5 CDBDRN CCC(CC)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164437648 375831888 /nfs/dbraw/zinc/83/18/88/375831888.db2.gz UFEGYBTVDHGBCG-UHFFFAOYSA-N 0 0 254.290 1.344 20 5 CDBDRN CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000357210089 375844027 /nfs/dbraw/zinc/84/40/27/375844027.db2.gz NOSGGNRHQCWAOV-SECBINFHSA-N 0 0 268.317 1.732 20 5 CDBDRN COc1ccc(CN2CC3(C2)CCOC3)cc1[N+](=O)[O-] ZINC000294239814 375848750 /nfs/dbraw/zinc/84/87/50/375848750.db2.gz ZUJLJKKRPREWJQ-UHFFFAOYSA-N 0 0 278.308 1.826 20 5 CDBDRN CC(C)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356482030 375849167 /nfs/dbraw/zinc/84/91/67/375849167.db2.gz DQLDHAASACYTQV-SECBINFHSA-N 0 0 268.317 1.883 20 5 CDBDRN CCN(C)C(=O)[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000356595833 375854880 /nfs/dbraw/zinc/85/48/80/375854880.db2.gz OVQCLUXHMIZNSA-JTQLQIEISA-N 0 0 293.323 1.500 20 5 CDBDRN CC[C@]1(C)COCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000356754089 375859837 /nfs/dbraw/zinc/85/98/37/375859837.db2.gz ZUMZIEPFLDTQPI-GFCCVEGCSA-N 0 0 267.285 1.564 20 5 CDBDRN CCc1nc(CSCc2c([N+](=O)[O-])ncn2C)no1 ZINC000357059700 375879866 /nfs/dbraw/zinc/87/98/66/375879866.db2.gz RUYYHWVJXVHUGU-UHFFFAOYSA-N 0 0 283.313 1.707 20 5 CDBDRN Cc1c(C(=O)NCC(F)(F)CN)cccc1[N+](=O)[O-] ZINC000162582036 375889730 /nfs/dbraw/zinc/88/97/30/375889730.db2.gz HLPGJBPXSKASGV-UHFFFAOYSA-N 0 0 273.239 1.227 20 5 CDBDRN CC[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357235243 375892608 /nfs/dbraw/zinc/89/26/08/375892608.db2.gz BBZFOIDDOIWLJD-QMMMGPOBSA-N 0 0 267.285 1.028 20 5 CDBDRN COCC[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000357464203 375911504 /nfs/dbraw/zinc/91/15/04/375911504.db2.gz WQUNRKWMQJHGLN-VIFPVBQESA-N 0 0 287.703 1.551 20 5 CDBDRN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)OC(C)(C)C ZINC000357252292 375893935 /nfs/dbraw/zinc/89/39/35/375893935.db2.gz ZQHWGEFREQOWBH-SSDOTTSWSA-N 0 0 270.289 1.470 20 5 CDBDRN CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1=O ZINC000134056218 375895892 /nfs/dbraw/zinc/89/58/92/375895892.db2.gz LQPFFYKDKYAWIZ-QMMMGPOBSA-N 0 0 295.270 1.085 20 5 CDBDRN C[C@H]1CSC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357535100 375915092 /nfs/dbraw/zinc/91/50/92/375915092.db2.gz OWUUXFVLEJHBPT-XPUUQOCRSA-N 0 0 282.325 1.252 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000357542254 375916122 /nfs/dbraw/zinc/91/61/22/375916122.db2.gz MASKQYREOXXQOP-IUCAKERBSA-N 0 0 299.233 1.303 20 5 CDBDRN O=[N+]([O-])c1ccc2nc(NC[C@]3(O)CCOC3)ccc2c1 ZINC000229626488 375930410 /nfs/dbraw/zinc/93/04/10/375930410.db2.gz ZFHFJIXEYSUFHK-CQSZACIVSA-N 0 0 289.291 1.706 20 5 CDBDRN CCn1ncnc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000357923808 375939558 /nfs/dbraw/zinc/93/95/58/375939558.db2.gz DVEZZWXTPNBQSZ-UHFFFAOYSA-N 0 0 281.297 1.198 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(CO)c1 ZINC000357967939 375943258 /nfs/dbraw/zinc/94/32/58/375943258.db2.gz AXDPOXGZPFYFGU-UHFFFAOYSA-N 0 0 276.252 1.073 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)ccn1 ZINC000358039372 375948687 /nfs/dbraw/zinc/94/86/87/375948687.db2.gz UYYNIDFTGACVQA-UHFFFAOYSA-N 0 0 281.659 1.478 20 5 CDBDRN O=C(NCc1cccnc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000016494019 376028487 /nfs/dbraw/zinc/02/84/87/376028487.db2.gz YRKCHWJDUDOJRP-UHFFFAOYSA-N 0 0 274.236 1.020 20 5 CDBDRN CCCc1n[nH]c(C(=O)NCc2ncc(C)o2)c1[N+](=O)[O-] ZINC000266801806 376028950 /nfs/dbraw/zinc/02/89/50/376028950.db2.gz ZINLDNGNYNBLFF-UHFFFAOYSA-N 0 0 293.283 1.497 20 5 CDBDRN CC(=O)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347399688 376089790 /nfs/dbraw/zinc/08/97/90/376089790.db2.gz PXFPHUHTFXFCBG-SSDOTTSWSA-N 0 0 253.258 1.031 20 5 CDBDRN Cc1cc(C)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000164452670 292852048 /nfs/dbraw/zinc/85/20/48/292852048.db2.gz GMKHAKPIOJHBMV-UHFFFAOYSA-N 0 0 277.284 1.166 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCC(CO)CC2)c(F)c1 ZINC000267045376 376510377 /nfs/dbraw/zinc/51/03/77/376510377.db2.gz PQIQCRKCGGTWSF-UHFFFAOYSA-N 0 0 268.288 1.938 20 5 CDBDRN CCOCCCNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000171367554 376545408 /nfs/dbraw/zinc/54/54/08/376545408.db2.gz AWCGCBRCYAURAG-UHFFFAOYSA-N 0 0 270.289 1.037 20 5 CDBDRN NC(=O)[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432333509 247888674 /nfs/dbraw/zinc/88/86/74/247888674.db2.gz BKWYOJXVRIQHNR-SECBINFHSA-N 0 0 286.291 1.455 20 5 CDBDRN COC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000267064994 376798910 /nfs/dbraw/zinc/79/89/10/376798910.db2.gz UMUVIYHOBXWITK-GFCCVEGCSA-N 0 0 282.271 1.871 20 5 CDBDRN Nc1c(C(=O)NCC(F)F)cc(F)cc1[N+](=O)[O-] ZINC000073164514 376830991 /nfs/dbraw/zinc/83/09/91/376830991.db2.gz MIIOSGVLUHNHLZ-UHFFFAOYSA-N 0 0 263.175 1.311 20 5 CDBDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCCOC1 ZINC000171701910 376943027 /nfs/dbraw/zinc/94/30/27/376943027.db2.gz KQYVLRBXGFYCQM-ABZNLYFFSA-N 0 0 276.292 1.903 20 5 CDBDRN CN1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000120985008 377054655 /nfs/dbraw/zinc/05/46/55/377054655.db2.gz ISUPFCTYLUZERA-KBPBESRZSA-N 0 0 277.324 1.110 20 5 CDBDRN CCO[C@@H](C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278152934 193845235 /nfs/dbraw/zinc/84/52/35/193845235.db2.gz ONPASUKVLUJNPC-QMMMGPOBSA-N 0 0 292.295 1.512 20 5 CDBDRN CC[C@@H](CO)N(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000294292100 377325360 /nfs/dbraw/zinc/32/53/60/377325360.db2.gz ZEQYTDWCDKRBQH-JTQLQIEISA-N 0 0 282.296 1.446 20 5 CDBDRN CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000172697693 377698203 /nfs/dbraw/zinc/69/82/03/377698203.db2.gz DDLXDUZPRMTOMP-UHFFFAOYSA-N 0 0 264.281 1.985 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1CCC1 ZINC000172702201 377700426 /nfs/dbraw/zinc/70/04/26/377700426.db2.gz ASYGGINMEQYYPV-UHFFFAOYSA-N 0 0 252.274 1.111 20 5 CDBDRN CS[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)(C)C ZINC000345277624 377762708 /nfs/dbraw/zinc/76/27/08/377762708.db2.gz MKSZULOYOQDVCZ-QMMMGPOBSA-N 0 0 286.357 1.825 20 5 CDBDRN CCOCCN(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000089373659 377841772 /nfs/dbraw/zinc/84/17/72/377841772.db2.gz YWHUASUFBSSCAV-UHFFFAOYSA-N 0 0 288.250 1.982 20 5 CDBDRN COCC(C)(C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173022470 377797110 /nfs/dbraw/zinc/79/71/10/377797110.db2.gz NYRYEBKHXOYFKU-UHFFFAOYSA-N 0 0 295.339 1.572 20 5 CDBDRN O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)C2CC2)c1 ZINC000173084118 377901490 /nfs/dbraw/zinc/90/14/90/377901490.db2.gz HEMPJWGPMKDSEB-UHFFFAOYSA-N 0 0 271.250 1.278 20 5 CDBDRN Cc1c(CC(=O)NC[C@@H]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000191145212 377993488 /nfs/dbraw/zinc/99/34/88/377993488.db2.gz 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O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@]12C[C@H]1CCC2 ZINC000886005910 736096078 /nfs/dbraw/zinc/09/60/78/736096078.db2.gz DCLYRBZXERDPFZ-SKDRFNHKSA-N 0 0 264.285 1.098 20 5 CDBDRN Nc1ccc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000884647246 736177882 /nfs/dbraw/zinc/17/78/82/736177882.db2.gz DIYKRCDPJNWTDM-PLMOITTCSA-N 0 0 263.297 1.384 20 5 CDBDRN C[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CO ZINC000830707736 736245029 /nfs/dbraw/zinc/24/50/29/736245029.db2.gz IAQMAPJTQQEIPE-UWVGGRQHSA-N 0 0 258.318 1.051 20 5 CDBDRN Cc1cccc(C(=O)O[C@H]2CC(=O)N(C)[C@H]2C)c1[N+](=O)[O-] ZINC000806069938 736249569 /nfs/dbraw/zinc/24/95/69/736249569.db2.gz FIRKXDNGZNLUIM-ONGXEEELSA-N 0 0 292.291 1.679 20 5 CDBDRN C[C@@]1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1(Cl)Cl ZINC000839786356 736257160 /nfs/dbraw/zinc/25/71/60/736257160.db2.gz URQSVNKAFWGTNB-ZXFLCMHBSA-N 0 0 281.139 1.742 20 5 CDBDRN Cn1ncc(COc2cc(C=O)ccc2[N+](=O)[O-])n1 ZINC000311655477 736294253 /nfs/dbraw/zinc/29/42/53/736294253.db2.gz 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O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]1CCO ZINC000189259216 357989718 /nfs/dbraw/zinc/98/97/18/357989718.db2.gz ZPHYKVYUXTVJED-NXEZZACHSA-N 0 0 294.311 1.662 20 5 CDBDRN O=[N+]([O-])c1cc(CN2CCC[C@@](F)(CO)C2)cs1 ZINC000286962302 358045251 /nfs/dbraw/zinc/04/52/51/358045251.db2.gz OZSPRLWJHUTNKL-NSHDSACASA-N 0 0 274.317 1.953 20 5 CDBDRN Cc1cnc(N2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078625704 358045302 /nfs/dbraw/zinc/04/53/02/358045302.db2.gz AOGKANBICMQGLU-UHFFFAOYSA-N 0 0 292.339 1.603 20 5 CDBDRN COC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000056922174 358083867 /nfs/dbraw/zinc/08/38/67/358083867.db2.gz ZAXOTBJCYGBMKX-SECBINFHSA-N 0 0 268.269 1.686 20 5 CDBDRN C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000408140556 358174975 /nfs/dbraw/zinc/17/49/75/358174975.db2.gz KFAHQROEVINPPL-QMMMGPOBSA-N 0 0 283.259 1.987 20 5 CDBDRN O=c1ccc([N+](=O)[O-])cn1CC[S@](=O)c1ccccc1 ZINC000060708890 358232024 /nfs/dbraw/zinc/23/20/24/358232024.db2.gz 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COc1c(C(=O)NC2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000137579767 358631142 /nfs/dbraw/zinc/63/11/42/358631142.db2.gz ZRQLSSWYLQTPJC-UHFFFAOYSA-N 0 0 294.307 1.638 20 5 CDBDRN CC[C@H](C)[C@@H](O)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264787030 358647835 /nfs/dbraw/zinc/64/78/35/358647835.db2.gz JYHDRYSOIDAHHS-UFBFGSQYSA-N 0 0 281.312 1.513 20 5 CDBDRN O=c1[nH]c(N2CC[C@@H](CO)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000287495393 358665621 /nfs/dbraw/zinc/66/56/21/358665621.db2.gz YMPFZHRUIONQGI-MRVPVSSYSA-N 0 0 290.279 1.062 20 5 CDBDRN CC[C@H](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816128 358672624 /nfs/dbraw/zinc/67/26/24/358672624.db2.gz GGHSQXFCQGKGGG-VIFPVBQESA-N 0 0 266.301 1.969 20 5 CDBDRN Cc1nn(C)c(NC[C@H](C)CCCO)c1[N+](=O)[O-] ZINC000294933995 199258171 /nfs/dbraw/zinc/25/81/71/199258171.db2.gz KLZZTLWWXNJTQG-MRVPVSSYSA-N 0 0 256.306 1.457 20 5 CDBDRN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567474974 358687360 /nfs/dbraw/zinc/68/73/60/358687360.db2.gz 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0 0 296.327 1.594 20 5 CDBDRN O=[N+]([O-])c1cnn(CCSC(=S)N2CCCC2)c1 ZINC000153710772 188098896 /nfs/dbraw/zinc/09/88/96/188098896.db2.gz AYUMWJHADBULCB-UHFFFAOYSA-N 0 0 286.382 1.905 20 5 CDBDRN CC(=O)N1CC(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000292335522 198249002 /nfs/dbraw/zinc/24/90/02/198249002.db2.gz OLQSIFBKPMDZSD-UHFFFAOYSA-N 0 0 297.698 1.665 20 5 CDBDRN CCCCCN(CCO)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000153882708 188110094 /nfs/dbraw/zinc/11/00/94/188110094.db2.gz XVZKARXMWQQYCH-UHFFFAOYSA-N 0 0 298.343 1.111 20 5 CDBDRN CC[C@H]1CCC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000153905157 188110705 /nfs/dbraw/zinc/11/07/05/188110705.db2.gz BCWCQVQOHUWJAW-JGVFFNPUSA-N 0 0 252.274 1.626 20 5 CDBDRN C[C@@]1(O)CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000154858226 188166494 /nfs/dbraw/zinc/16/64/94/188166494.db2.gz DDCQYKHBNDUGTI-CYBMUJFWSA-N 0 0 279.296 1.974 20 5 CDBDRN Nc1nc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ncc1[N+](=O)[O-] ZINC000155298088 188196886 /nfs/dbraw/zinc/19/68/86/188196886.db2.gz DVAUVXXYDBFTMG-ADEWGFFLSA-N 0 0 283.291 1.717 20 5 CDBDRN COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000155315052 188197917 /nfs/dbraw/zinc/19/79/17/188197917.db2.gz YMJOCVVAHNMXQM-FOGDFJRCSA-N 0 0 292.291 1.653 20 5 CDBDRN CCN(CC1CC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000156217929 188249904 /nfs/dbraw/zinc/24/99/04/188249904.db2.gz UNEMIGRTEMXHHV-UHFFFAOYSA-N 0 0 265.269 1.568 20 5 CDBDRN COc1ccc(C(=O)N[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000156640919 188273724 /nfs/dbraw/zinc/27/37/24/188273724.db2.gz NZWFKBGCTGPYHA-CYBMUJFWSA-N 0 0 280.280 1.512 20 5 CDBDRN COc1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000516785605 363222756 /nfs/dbraw/zinc/22/27/56/363222756.db2.gz PIDKNHGCLAVCBN-UMNHJUIQSA-N 0 0 278.308 1.811 20 5 CDBDRN O=C1OCC[C@@H]1CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000158712710 188390342 /nfs/dbraw/zinc/39/03/42/188390342.db2.gz UBFGSNIYAZVNJR-ZETCQYMHSA-N 0 0 286.671 1.363 20 5 CDBDRN O=C(N[C@@H]1CCCOc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372551946 363225918 /nfs/dbraw/zinc/22/59/18/363225918.db2.gz XTVDVIYUAGBYMY-IJLUTSLNSA-N 0 0 276.292 1.682 20 5 CDBDRN Cc1c(C(=O)N[C@@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000158903466 188399316 /nfs/dbraw/zinc/39/93/16/188399316.db2.gz XLNZSPYMZRUNHM-GXSJLCMTSA-N 0 0 264.281 1.810 20 5 CDBDRN O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])o1 ZINC000457330032 366138593 /nfs/dbraw/zinc/13/85/93/366138593.db2.gz RZJWZXYWHJFZKY-BDAKNGLRSA-N 0 0 293.279 1.071 20 5 CDBDRN CON1CCC(N(C)C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000457317979 366130520 /nfs/dbraw/zinc/13/05/20/366130520.db2.gz FHLNDIXCGOYPOX-UHFFFAOYSA-N 0 0 293.323 1.693 20 5 CDBDRN C[C@H]1CC[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000365397759 363364516 /nfs/dbraw/zinc/36/45/16/363364516.db2.gz VUNZQKAMDATRBT-FVINQWEUSA-N 0 0 296.348 1.578 20 5 CDBDRN CCCc1n[nH]c(C(=O)NC[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC000457355132 366153377 /nfs/dbraw/zinc/15/33/77/366153377.db2.gz FRADVUDOBUCNRD-IUCAKERBSA-N 0 0 296.327 1.568 20 5 CDBDRN CCC(=O)Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000171258711 188725418 /nfs/dbraw/zinc/72/54/18/188725418.db2.gz YVLAQHGKVBAPLE-UHFFFAOYSA-N 0 0 277.236 1.391 20 5 CDBDRN C[C@@H]1OCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000139280990 363411201 /nfs/dbraw/zinc/41/12/01/363411201.db2.gz OGWQUWOYEKDFSV-QWRGUYRKSA-N 0 0 293.323 1.643 20 5 CDBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172140238 188783575 /nfs/dbraw/zinc/78/35/75/188783575.db2.gz IOEGXQWIVUBWDW-UPJWGTAASA-N 0 0 291.307 1.714 20 5 CDBDRN CC(=O)CSCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000174114641 188882885 /nfs/dbraw/zinc/88/28/85/188882885.db2.gz QZMUUSPMGWTBMX-UHFFFAOYSA-N 0 0 286.284 1.995 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@H]2COC3(CCOCC3)O2)nc1 ZINC000271915148 191405393 /nfs/dbraw/zinc/40/53/93/191405393.db2.gz BPMOMCGCJHLATB-NSHDSACASA-N 0 0 295.295 1.324 20 5 CDBDRN Cc1nn(CC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000272383332 191690247 /nfs/dbraw/zinc/69/02/47/191690247.db2.gz SCSHWVQOLDWKAG-UHFFFAOYSA-N 0 0 287.341 1.315 20 5 CDBDRN CC(C)(CO)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000272330657 191660234 /nfs/dbraw/zinc/66/02/34/191660234.db2.gz LJZWMZYHSCHLOI-UHFFFAOYSA-N 0 0 277.280 1.577 20 5 CDBDRN C[C@@H](COCC(F)(F)F)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558758327 356045398 /nfs/dbraw/zinc/04/53/98/356045398.db2.gz VABRKEFWKLYNNY-YFKPBYRVSA-N 0 0 296.205 1.015 20 5 CDBDRN Cc1c(CNC(=O)C2(C(N)=O)CCC2)cccc1[N+](=O)[O-] ZINC000577927909 356097285 /nfs/dbraw/zinc/09/72/85/356097285.db2.gz SMWYVGXVXXIFHR-UHFFFAOYSA-N 0 0 291.307 1.175 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)CCO ZINC000097441844 356146300 /nfs/dbraw/zinc/14/63/00/356146300.db2.gz AJZKOFZHQWTUPT-SECBINFHSA-N 0 0 266.297 1.652 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Cl)cn1 ZINC000358422870 356210190 /nfs/dbraw/zinc/21/01/90/356210190.db2.gz CGHJYXGLQKULTN-UHFFFAOYSA-N 0 0 295.686 1.787 20 5 CDBDRN Cc1nn(C)c(C(=O)NCC2(O)CCCCC2)c1[N+](=O)[O-] ZINC000174735205 188915480 /nfs/dbraw/zinc/91/54/80/188915480.db2.gz SVICKWIQSGUYGK-UHFFFAOYSA-N 0 0 296.327 1.062 20 5 CDBDRN COCC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000174870673 188921326 /nfs/dbraw/zinc/92/13/26/188921326.db2.gz KKPHKLZUHWIOGT-LLVKDONJSA-N 0 0 288.325 1.174 20 5 CDBDRN C[C@@H]1C[C@H](O)CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000401567771 356263473 /nfs/dbraw/zinc/26/34/73/356263473.db2.gz CEOHGQSALNBNPY-PWSUYJOCSA-N 0 0 294.307 1.203 20 5 CDBDRN CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000059640991 356264724 /nfs/dbraw/zinc/26/47/24/356264724.db2.gz MVRMGXGZPUCGSF-NSHDSACASA-N 0 0 280.280 1.205 20 5 CDBDRN CO[C@@H](C)CN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000286276999 356242795 /nfs/dbraw/zinc/24/27/95/356242795.db2.gz FZGITERPNDXAEF-JTQLQIEISA-N 0 0 281.312 1.500 20 5 CDBDRN CCOC1CC2(C1)CCN(c1ncc([N+](=O)[O-])cn1)C2 ZINC000286283969 356245000 /nfs/dbraw/zinc/24/50/00/356245000.db2.gz HAKFAHOVEQKKMM-UHFFFAOYSA-N 0 0 278.312 1.780 20 5 CDBDRN C[S@](=O)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000134501990 356326832 /nfs/dbraw/zinc/32/68/32/356326832.db2.gz ZQOYIXGBRQPZDP-QGZVFWFLSA-N 0 0 260.290 1.914 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C1CC1 ZINC000336830812 356290670 /nfs/dbraw/zinc/29/06/70/356290670.db2.gz HGADYHBUIWYEBZ-AWEZNQCLSA-N 0 0 278.308 1.794 20 5 CDBDRN CCN(CCOCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000336842947 356293598 /nfs/dbraw/zinc/29/35/98/356293598.db2.gz VSSDMLCYQJOVMU-UHFFFAOYSA-N 0 0 286.303 1.565 20 5 CDBDRN CCC[C@@H](O)CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000233296923 356308379 /nfs/dbraw/zinc/30/83/79/356308379.db2.gz YEVNGXICIABZSU-MRVPVSSYSA-N 0 0 283.284 1.349 20 5 CDBDRN Cc1cnc(NC(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000308664567 356332265 /nfs/dbraw/zinc/33/22/65/356332265.db2.gz PJGPXQZQUHNSLR-UHFFFAOYSA-N 0 0 294.355 1.821 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@](C)(O)C2)n1 ZINC000359099882 356360728 /nfs/dbraw/zinc/36/07/28/356360728.db2.gz OWEUKNFTEPZSEP-LBPRGKRZSA-N 0 0 251.286 1.568 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CCO ZINC000336846088 356385919 /nfs/dbraw/zinc/38/59/19/356385919.db2.gz JICJWIREDNVRTB-NSHDSACASA-N 0 0 294.307 1.347 20 5 CDBDRN CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000609513232 356389400 /nfs/dbraw/zinc/38/94/00/356389400.db2.gz SNABUFIGJXKKMJ-MRVPVSSYSA-N 0 0 269.326 1.619 20 5 CDBDRN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000559257455 356411473 /nfs/dbraw/zinc/41/14/73/356411473.db2.gz JWBYMKVPVHBAHL-UHFFFAOYSA-N 0 0 277.324 1.761 20 5 CDBDRN Cc1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])cn2)o1 ZINC000273636294 192240954 /nfs/dbraw/zinc/24/09/54/192240954.db2.gz RDDNGECPCBLVSF-VIFPVBQESA-N 0 0 264.241 1.432 20 5 CDBDRN COc1ccc(NC(=O)Cc2nnc(C)o2)cc1[N+](=O)[O-] ZINC000360011505 356458636 /nfs/dbraw/zinc/45/86/36/356458636.db2.gz WBSQMWGDODXQKW-UHFFFAOYSA-N 0 0 292.251 1.476 20 5 CDBDRN COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccn1 ZINC000359918082 356442044 /nfs/dbraw/zinc/44/20/44/356442044.db2.gz WETBVVCXCHQCKR-QMMMGPOBSA-N 0 0 290.279 1.818 20 5 CDBDRN CC(C)c1nnc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)[nH]1 ZINC000273720814 192276839 /nfs/dbraw/zinc/27/68/39/192276839.db2.gz GNNQBEUBKHWAQW-SSDOTTSWSA-N 0 0 277.288 1.799 20 5 CDBDRN CCOCCO[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273717552 192275311 /nfs/dbraw/zinc/27/53/11/192275311.db2.gz GEKDLUHOGFDNBI-NSHDSACASA-N 0 0 282.300 1.017 20 5 CDBDRN O=C(N[C@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000063216998 363481051 /nfs/dbraw/zinc/48/10/51/363481051.db2.gz LWCZECFCMQSASO-NSHDSACASA-N 0 0 289.291 1.256 20 5 CDBDRN CO[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1OC ZINC000360065340 356571132 /nfs/dbraw/zinc/57/11/32/356571132.db2.gz HIUIVNKKTQQWQP-CHWSQXEVSA-N 0 0 284.287 1.892 20 5 CDBDRN Cc1nn(CC(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000272384872 363504131 /nfs/dbraw/zinc/50/41/31/363504131.db2.gz SPHBVRPNVFPMHA-VIFPVBQESA-N 0 0 266.301 1.501 20 5 CDBDRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000043268550 356585886 /nfs/dbraw/zinc/58/58/86/356585886.db2.gz OSFKZWJDXWWDQC-UWVGGRQHSA-N 0 0 266.301 1.486 20 5 CDBDRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000043268552 356586176 /nfs/dbraw/zinc/58/61/76/356586176.db2.gz OSFKZWJDXWWDQC-NXEZZACHSA-N 0 0 266.301 1.486 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000175582757 356639164 /nfs/dbraw/zinc/63/91/64/356639164.db2.gz BUMXDRDMQJJPTM-SECBINFHSA-N 0 0 280.328 1.747 20 5 CDBDRN O=C(NCC1(O)CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134935939 356724519 /nfs/dbraw/zinc/72/45/19/356724519.db2.gz JJFNBXISPZXPAW-UHFFFAOYSA-N 0 0 284.699 1.893 20 5 CDBDRN CC[C@H]1COCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000072286186 356739745 /nfs/dbraw/zinc/73/97/45/356739745.db2.gz BCZNIROJENORNE-JTQLQIEISA-N 0 0 276.296 1.858 20 5 CDBDRN CCOC1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCC1 ZINC000293824794 198786866 /nfs/dbraw/zinc/78/68/66/198786866.db2.gz BNJPOGGFBZQATN-UHFFFAOYSA-N 0 0 282.300 1.397 20 5 CDBDRN CCn1ncnc1CNc1ccc([N+](=O)[O-])cc1COC ZINC000360117244 356791387 /nfs/dbraw/zinc/79/13/87/356791387.db2.gz WOMLUERZMNMIBY-UHFFFAOYSA-N 0 0 291.311 1.965 20 5 CDBDRN CC(C)(C)CC[C@@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000360259705 356927018 /nfs/dbraw/zinc/92/70/18/356927018.db2.gz YQIDQPJQLFETFI-QMMMGPOBSA-N 0 0 283.332 1.396 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H](CO)[C@@H]1CCOC1 ZINC000360267927 356941192 /nfs/dbraw/zinc/94/11/92/356941192.db2.gz QZMPBLZTVYNQFP-VXGBXAGGSA-N 0 0 280.324 1.960 20 5 CDBDRN O=C(NC[C@@H]1CCC[C@@H]1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135015387 357072688 /nfs/dbraw/zinc/07/26/88/357072688.db2.gz DSYFAIUQUDHSMT-UFBFGSQYSA-N 0 0 282.271 1.625 20 5 CDBDRN Nc1c([N+](=O)[O-])cnn1CCc1ccccc1F ZINC000431859057 357118455 /nfs/dbraw/zinc/11/84/55/357118455.db2.gz QHNOPXVJXVJUQS-UHFFFAOYSA-N 0 0 250.233 1.755 20 5 CDBDRN C[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000045625465 357125427 /nfs/dbraw/zinc/12/54/27/357125427.db2.gz OBDHBCOZVJRKCK-PHIMTYICSA-N 0 0 293.323 1.914 20 5 CDBDRN CC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360427355 357204376 /nfs/dbraw/zinc/20/43/76/357204376.db2.gz JULYQHQPPNDIAC-UHFFFAOYSA-N 0 0 280.328 1.979 20 5 CDBDRN Cc1nn(C)c(N(C)Cc2cscn2)c1[N+](=O)[O-] ZINC000049056409 357206601 /nfs/dbraw/zinc/20/66/01/357206601.db2.gz YQLGEKXMFPHHRF-UHFFFAOYSA-N 0 0 267.314 1.730 20 5 CDBDRN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331241997 357246709 /nfs/dbraw/zinc/24/67/09/357246709.db2.gz NULDXIPSHVDCCT-NSHDSACASA-N 0 0 293.323 1.467 20 5 CDBDRN CCN(C[C@H](C)O)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000341387724 357250022 /nfs/dbraw/zinc/25/00/22/357250022.db2.gz XFXIGAUFTHMYFX-VIFPVBQESA-N 0 0 291.307 1.919 20 5 CDBDRN CCN(C[C@@H](C)O)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000341398770 357259449 /nfs/dbraw/zinc/25/94/49/357259449.db2.gz KNQISFWZCSCHGM-SNVBAGLBSA-N 0 0 266.297 1.746 20 5 CDBDRN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000311083386 357266128 /nfs/dbraw/zinc/26/61/28/357266128.db2.gz MJBJFGGKABTMIN-OCAPTIKFSA-N 0 0 252.274 1.186 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCOC3)no2)[nH]1 ZINC000341433523 357269573 /nfs/dbraw/zinc/26/95/73/357269573.db2.gz JDEJHCDFABTCAJ-LURJTMIESA-N 0 0 250.214 1.477 20 5 CDBDRN O=C(NCCOCC1CC1)c1ccc([N+](=O)[O-])s1 ZINC000264469698 357330307 /nfs/dbraw/zinc/33/03/07/357330307.db2.gz NBZZPSLAHAIPDL-UHFFFAOYSA-N 0 0 270.310 1.813 20 5 CDBDRN Cc1c(CNC(=O)[C@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000360514054 357342950 /nfs/dbraw/zinc/34/29/50/357342950.db2.gz GBMOREHPLYBFSK-CQSZACIVSA-N 0 0 278.308 1.946 20 5 CDBDRN Cc1c(NC(=O)N[C@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000264519916 357355813 /nfs/dbraw/zinc/35/58/13/357355813.db2.gz RCDOJWJBYPRXOE-VIFPVBQESA-N 0 0 292.295 1.255 20 5 CDBDRN O=C(NC1CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264580640 357390502 /nfs/dbraw/zinc/39/05/02/357390502.db2.gz ZEWHKOCMGILZEZ-UHFFFAOYSA-N 0 0 260.253 1.753 20 5 CDBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[N@H+](C)C1CC1 ZINC000181971374 357394414 /nfs/dbraw/zinc/39/44/14/357394414.db2.gz YKYDIQYLIAGNLP-VIFPVBQESA-N 0 0 293.323 1.513 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000182004021 357397939 /nfs/dbraw/zinc/39/79/39/357397939.db2.gz VHFSGCFVMJPORH-GXSJLCMTSA-N 0 0 294.307 1.940 20 5 CDBDRN Cc1c([N+](=O)[O-])ccc(F)c1NCc1cnnn1C ZINC000290721629 357410372 /nfs/dbraw/zinc/41/03/72/357410372.db2.gz YYDZBZPJZVOZSY-UHFFFAOYSA-N 0 0 265.248 1.783 20 5 CDBDRN CCSCCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000282621376 357445497 /nfs/dbraw/zinc/44/54/97/357445497.db2.gz JYUGHPLIBQOPDV-UHFFFAOYSA-N 0 0 286.357 1.441 20 5 CDBDRN C[C@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119360554 357466457 /nfs/dbraw/zinc/46/64/57/357466457.db2.gz YEZXYIHERBKOCC-ZETCQYMHSA-N 0 0 272.688 1.288 20 5 CDBDRN C[C@@H]1CCC[C@]1(O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000294045952 198885240 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753044611 /nfs/dbraw/zinc/04/46/11/753044611.db2.gz CBWAMNFGUTUPLZ-SKDRFNHKSA-N 0 0 264.281 1.497 20 5 CDBDRN CCn1nncc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000836083494 753061168 /nfs/dbraw/zinc/06/11/68/753061168.db2.gz VALNFZLYWUONKE-UHFFFAOYSA-N 0 0 290.279 1.872 20 5 CDBDRN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000829482064 753061415 /nfs/dbraw/zinc/06/14/15/753061415.db2.gz WWCXCWISTJBTMG-DTORHVGOSA-N 0 0 297.267 1.239 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1SCC(N)=O ZINC000814042371 753075872 /nfs/dbraw/zinc/07/58/72/753075872.db2.gz IZCWHVDYVXZRRR-MRVPVSSYSA-N 0 0 298.320 1.086 20 5 CDBDRN Cc1noc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000789920105 753119126 /nfs/dbraw/zinc/11/91/26/753119126.db2.gz LHVDCLKVZGQXKX-UHFFFAOYSA-N 0 0 280.196 1.773 20 5 CDBDRN COc1ccc(OC)c([C@H](O)Cn2nccc2[N+](=O)[O-])c1 ZINC000848431706 753131301 /nfs/dbraw/zinc/13/13/01/753131301.db2.gz RFVJTZZHCJAQJV-LLVKDONJSA-N 0 0 293.279 1.542 20 5 CDBDRN CC(C)(C)c1n[nH]c(COC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000835480690 753133560 /nfs/dbraw/zinc/13/35/60/753133560.db2.gz ZNOHBSLZSQUGFI-UHFFFAOYSA-N 0 0 298.343 1.981 20 5 CDBDRN COc1cncc(C(=O)OCc2cccc([N+](=O)[O-])c2)n1 ZINC000791688177 753167124 /nfs/dbraw/zinc/16/71/24/753167124.db2.gz CNWMZJNYTIZBHL-UHFFFAOYSA-N 0 0 289.247 1.750 20 5 CDBDRN CC(C)[C@@H](CO)ONC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000824259113 753177931 /nfs/dbraw/zinc/17/79/31/753177931.db2.gz DJKPHAJAPLBMDA-GFCCVEGCSA-N 0 0 297.311 1.343 20 5 CDBDRN C=C=CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000816699963 753194539 /nfs/dbraw/zinc/19/45/39/753194539.db2.gz INBCYDHFEXKWFD-UHFFFAOYSA-N 0 0 284.275 1.851 20 5 CDBDRN CC(C)(O)C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000716371882 753245688 /nfs/dbraw/zinc/24/56/88/753245688.db2.gz KQUNQJQVZIYPIW-UHFFFAOYSA-N 0 0 281.312 1.546 20 5 CDBDRN C[C@@H](CF)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000885414177 753258846 /nfs/dbraw/zinc/25/88/46/753258846.db2.gz SRGPVONVSQUOGD-LURJTMIESA-N 0 0 280.252 1.370 20 5 CDBDRN Cc1nn(Cc2cn(CC(C)(C)[N+](=O)[O-])nn2)c(C)c1C ZINC000864642899 753265316 /nfs/dbraw/zinc/26/53/16/753265316.db2.gz ZPANYXNXTITLMB-UHFFFAOYSA-N 0 0 292.343 1.503 20 5 CDBDRN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]1CO ZINC000889165191 753269394 /nfs/dbraw/zinc/26/93/94/753269394.db2.gz ULDJYJIXNCOIFC-LLVKDONJSA-N 0 0 282.271 1.260 20 5 CDBDRN O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000128090134 753276678 /nfs/dbraw/zinc/27/66/78/753276678.db2.gz YHMKZTFOARYCRD-LLVKDONJSA-N 0 0 284.243 1.922 20 5 CDBDRN CSc1cccc(C(=O)NC[C@H]2COCO2)c1[N+](=O)[O-] ZINC000861976918 753303218 /nfs/dbraw/zinc/30/32/18/753303218.db2.gz BQDVTKILNFBGDF-QMMMGPOBSA-N 0 0 298.320 1.419 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCC(=O)NC1CC1 ZINC000830360452 753315413 /nfs/dbraw/zinc/31/54/13/753315413.db2.gz IRNMUBXOOGRQHG-UHFFFAOYSA-N 0 0 296.254 1.478 20 5 CDBDRN C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000929641965 753318732 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C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000860137573 753603904 /nfs/dbraw/zinc/60/39/04/753603904.db2.gz HHYQQFJXOAFMFI-DTHBNOIPSA-N 0 0 297.311 1.394 20 5 CDBDRN O=[N+]([O-])C1C[C@H]1c1nc(Cc2ccc(Cl)nc2)no1 ZINC000867165470 753608758 /nfs/dbraw/zinc/60/87/58/753608758.db2.gz ZBBLNADBUKOLJH-HTQZYQBOSA-N 0 0 280.671 1.841 20 5 CDBDRN CC[C@@]1(CO)CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830679060 753610433 /nfs/dbraw/zinc/61/04/33/753610433.db2.gz BJKKVIGTZCXGCS-ZDUSSCGKSA-N 0 0 272.345 1.585 20 5 CDBDRN CCO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000885342941 753613665 /nfs/dbraw/zinc/61/36/65/753613665.db2.gz UXWYTFNGCKMNCT-ZDUSSCGKSA-N 0 0 278.308 1.775 20 5 CDBDRN O=Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000175765138 753618243 /nfs/dbraw/zinc/61/82/43/753618243.db2.gz GBKWDLDAVRBLOK-UHFFFAOYSA-N 0 0 287.275 1.708 20 5 CDBDRN CO[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000830085057 753651900 /nfs/dbraw/zinc/65/19/00/753651900.db2.gz FBGFWQZLJKGCIC-VXGBXAGGSA-N 0 0 286.715 1.752 20 5 CDBDRN CO[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccc(F)cc1 ZINC000860788983 753657897 /nfs/dbraw/zinc/65/78/97/753657897.db2.gz XPSQTPDKDGEHOQ-GZMMTYOYSA-N 0 0 271.244 1.722 20 5 CDBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1cnccn1 ZINC000782598403 753663063 /nfs/dbraw/zinc/66/30/63/753663063.db2.gz MKHCVCKAOLVZOG-MRVPVSSYSA-N 0 0 288.263 1.885 20 5 CDBDRN Cc1ccc(COC(=O)[C@H](C)n2cncn2)cc1[N+](=O)[O-] ZINC000835483409 753670305 /nfs/dbraw/zinc/67/03/05/753670305.db2.gz ILWHLTNEGBXNKV-JTQLQIEISA-N 0 0 290.279 1.799 20 5 CDBDRN C[C@@H]1CO[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000885566045 753686770 /nfs/dbraw/zinc/68/67/70/753686770.db2.gz HIJGDEZSLAWRLY-TVQRCGJNSA-N 0 0 293.275 1.746 20 5 CDBDRN CC(=O)OCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000798136045 753704654 /nfs/dbraw/zinc/70/46/54/753704654.db2.gz DPOSJYQWLCFUBV-UHFFFAOYSA-N 0 0 266.253 1.196 20 5 CDBDRN COC[C@H](OC)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857572030 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CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600804238 342249855 /nfs/dbraw/zinc/24/98/55/342249855.db2.gz AWJYEIQUIVGZAL-SNVBAGLBSA-N 0 0 294.311 1.054 20 5 CDBDRN O=[N+]([O-])c1ccc(-n2cc(C[C@@H](O)C3CC3)nn2)cc1 ZINC000594640429 342939296 /nfs/dbraw/zinc/93/92/96/342939296.db2.gz LWQPOEIOJPTFOJ-CYBMUJFWSA-N 0 0 274.280 1.489 20 5 CDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](c2ccccc2)C1 ZINC000125930234 187205013 /nfs/dbraw/zinc/20/50/13/187205013.db2.gz VYXMQBCRCQRDQY-NSHDSACASA-N 0 0 286.291 1.948 20 5 CDBDRN O=C1NCC[C@@H]1CCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000594900640 342971009 /nfs/dbraw/zinc/97/10/09/342971009.db2.gz UTJHCVBIQNVBPJ-MRVPVSSYSA-N 0 0 291.263 1.029 20 5 CDBDRN CO[C@H]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611931445 346910079 /nfs/dbraw/zinc/91/00/79/346910079.db2.gz WRYXREKCHNPILZ-JTQLQIEISA-N 0 0 251.286 1.995 20 5 CDBDRN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003770 342995148 /nfs/dbraw/zinc/99/51/48/342995148.db2.gz 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/nfs/dbraw/zinc/57/40/48/190574048.db2.gz GVWWHGQFIWLDTQ-GHMZBOCLSA-N 0 0 265.313 1.895 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N(CCCO)C1CC1 ZINC000404325494 349772126 /nfs/dbraw/zinc/77/21/26/349772126.db2.gz NWKJJVKMRNXDEG-UHFFFAOYSA-N 0 0 264.281 1.582 20 5 CDBDRN Cc1ccc(N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075681958 342314738 /nfs/dbraw/zinc/31/47/38/342314738.db2.gz SHXOZKNUWLQRQA-CQSZACIVSA-N 0 0 290.323 1.597 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1CN1CCSC[C@H]1CO ZINC000595405573 343050011 /nfs/dbraw/zinc/05/00/11/343050011.db2.gz YFDAUOFIGFEDFI-LLVKDONJSA-N 0 0 286.328 1.644 20 5 CDBDRN Cc1nc(CN(C)Cc2onc(C)c2[N+](=O)[O-])no1 ZINC000595425461 343056386 /nfs/dbraw/zinc/05/63/86/343056386.db2.gz SBWQGLMAUHNEBJ-UHFFFAOYSA-N 0 0 267.245 1.215 20 5 CDBDRN Cc1noc(CN[C@@H]2CCCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595436295 343060405 /nfs/dbraw/zinc/06/04/05/343060405.db2.gz MJWDIMHGIVXCKX-RKDXNWHRSA-N 0 0 282.300 1.025 20 5 CDBDRN Nc1nc(NC[C@@H](O)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000076268019 342320323 /nfs/dbraw/zinc/32/03/23/342320323.db2.gz MYSORIAXESVWBC-SNVBAGLBSA-N 0 0 293.258 1.252 20 5 CDBDRN CC(C)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000076269055 342320341 /nfs/dbraw/zinc/32/03/41/342320341.db2.gz RBQOZMNHMUJCJV-MRVPVSSYSA-N 0 0 251.290 1.592 20 5 CDBDRN NC(=O)CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000312249589 362024838 /nfs/dbraw/zinc/02/48/38/362024838.db2.gz IUTBIYRYGGTPEW-UHFFFAOYSA-N 0 0 283.259 1.119 20 5 CDBDRN CCCc1n[nH]c(C(=O)NC[C@@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000077112611 342325106 /nfs/dbraw/zinc/32/51/06/342325106.db2.gz BINPLGNHIBIORT-DTWKUNHWSA-N 0 0 298.343 1.407 20 5 CDBDRN CC[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000595560536 343098357 /nfs/dbraw/zinc/09/83/57/343098357.db2.gz XATFHLUQXZKFCV-WPRPVWTQSA-N 0 0 269.301 1.891 20 5 CDBDRN C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000077582150 342329791 /nfs/dbraw/zinc/32/97/91/342329791.db2.gz DUACJLKZMMYRAC-NSHDSACASA-N 0 0 294.307 1.611 20 5 CDBDRN Cc1nn(C)c(N2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC000078411837 342336817 /nfs/dbraw/zinc/33/68/17/342336817.db2.gz DEACVGHVHLFTLW-DTORHVGOSA-N 0 0 250.302 1.729 20 5 CDBDRN CCO[C@H]1C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000573313021 362105138 /nfs/dbraw/zinc/10/51/38/362105138.db2.gz NTAGEPIXWXODPJ-RYUDHWBXSA-N 0 0 280.280 1.267 20 5 CDBDRN CS[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078478550 342337547 /nfs/dbraw/zinc/33/75/47/342337547.db2.gz QOWOTUSDFVZFDD-NKWVEPMBSA-N 0 0 269.330 1.663 20 5 CDBDRN Nc1nc(NCCC(F)(F)F)ncc1[N+](=O)[O-] ZINC000078591818 342338661 /nfs/dbraw/zinc/33/86/61/342338661.db2.gz UCALHWKGSZGIJJ-UHFFFAOYSA-N 0 0 251.168 1.331 20 5 CDBDRN Cc1cnc(NCCNC(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000078628935 342338923 /nfs/dbraw/zinc/33/89/23/342338923.db2.gz CSRCBQYPZRVAOQ-UHFFFAOYSA-N 0 0 290.279 1.733 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1CCC(=O)N(C)CC1 ZINC000595786684 343155985 /nfs/dbraw/zinc/15/59/85/343155985.db2.gz VYJXRAANZIFHJR-UHFFFAOYSA-N 0 0 293.323 1.268 20 5 CDBDRN COC(=O)c1cn(Cc2onc(C)c2[N+](=O)[O-])c(C)n1 ZINC000596023618 343215477 /nfs/dbraw/zinc/21/54/77/343215477.db2.gz ODJNKIIWVWMVRB-UHFFFAOYSA-N 0 0 280.240 1.231 20 5 CDBDRN CCC(=O)N1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596083738 343220366 /nfs/dbraw/zinc/22/03/66/343220366.db2.gz SVLTXFZEPQKSQW-UHFFFAOYSA-N 0 0 293.327 1.021 20 5 CDBDRN CC(C)(C)[S@](=O)CCNc1ncccc1[N+](=O)[O-] ZINC000265322119 362132117 /nfs/dbraw/zinc/13/21/17/362132117.db2.gz ITLBOZRIKNSCQZ-GOSISDBHSA-N 0 0 271.342 1.949 20 5 CDBDRN O=C(NC[C@@H](O)COCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000081864541 342373161 /nfs/dbraw/zinc/37/31/61/342373161.db2.gz BFAGHHIXWFZDAZ-LLVKDONJSA-N 0 0 294.307 1.112 20 5 CDBDRN O=[N+]([O-])c1cc(NC(CO)CO)ccc1C(F)(F)F ZINC000596138180 343240943 /nfs/dbraw/zinc/24/09/43/343240943.db2.gz QSOHWJQTBNOVCK-UHFFFAOYSA-N 0 0 280.202 1.379 20 5 CDBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596144760 343243019 /nfs/dbraw/zinc/24/30/19/343243019.db2.gz MZBQFYPYXQNYHI-IUCAKERBSA-N 0 0 263.297 1.786 20 5 CDBDRN COC(=O)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596147754 343244022 /nfs/dbraw/zinc/24/40/22/343244022.db2.gz VGSQCJWOWLQJNU-UHFFFAOYSA-N 0 0 295.295 1.841 20 5 CDBDRN Cc1nc(CN(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)no1 ZINC000596183658 343251024 /nfs/dbraw/zinc/25/10/24/343251024.db2.gz NFONZBWIKULLQW-UHFFFAOYSA-N 0 0 291.267 1.022 20 5 CDBDRN O=[N+]([O-])c1cncc(Cl)c1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000596238748 343283446 /nfs/dbraw/zinc/28/34/46/343283446.db2.gz YXXAHHHUMMWTTO-JIGDXULJSA-N 0 0 269.688 1.318 20 5 CDBDRN O=[N+]([O-])c1cncc(Cl)c1N1CCn2cncc2C1 ZINC000596239139 343283802 /nfs/dbraw/zinc/28/38/02/343283802.db2.gz XSZDDSJXXWAEDP-UHFFFAOYSA-N 0 0 279.687 1.860 20 5 CDBDRN C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596176269 343260734 /nfs/dbraw/zinc/26/07/34/343260734.db2.gz BXAOGGMIODMJKA-CYBMUJFWSA-N 0 0 279.296 1.045 20 5 CDBDRN CC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000596233621 343262238 /nfs/dbraw/zinc/26/22/38/343262238.db2.gz YVVAWUAERJZFNA-ZUNJMDCASA-N 0 0 299.352 1.431 20 5 CDBDRN C[S@](=O)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596223742 343271058 /nfs/dbraw/zinc/27/10/58/343271058.db2.gz VHWRSTPRTBNZBH-FQEVSTJZSA-N 0 0 297.336 1.017 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCn2cnnc2)n1 ZINC000596251055 343274443 /nfs/dbraw/zinc/27/44/43/343274443.db2.gz YODUPHWNBLZMRV-UHFFFAOYSA-N 0 0 262.273 1.310 20 5 CDBDRN C[C@@H]1C(=O)N(Cc2ccc(F)cc2[N+](=O)[O-])C(=O)[C@H]1C ZINC000596261301 343278310 /nfs/dbraw/zinc/27/83/10/343278310.db2.gz PLAHJWVPPPPGJT-YUMQZZPRSA-N 0 0 280.255 1.875 20 5 CDBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](C)O ZINC000596266988 343280384 /nfs/dbraw/zinc/28/03/84/343280384.db2.gz UNZCAJYFABHCRO-XVKPBYJWSA-N 0 0 267.285 1.265 20 5 CDBDRN CCN1C[C@@H](Nc2cc(C)sc2[N+](=O)[O-])CC1=O ZINC000596267476 343280891 /nfs/dbraw/zinc/28/08/91/343280891.db2.gz YSONDIDYJSFSMB-QMMMGPOBSA-N 0 0 269.326 1.997 20 5 CDBDRN Cc1cc(NC[C@H]2CNC(=O)C2)c([N+](=O)[O-])s1 ZINC000596270509 343281732 /nfs/dbraw/zinc/28/17/32/343281732.db2.gz PGJUVAUVQHSGCY-ZETCQYMHSA-N 0 0 255.299 1.513 20 5 CDBDRN CN(C[C@@H]1COCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596465837 343318496 /nfs/dbraw/zinc/31/84/96/343318496.db2.gz UWMRGGGDOFWMBN-GFCCVEGCSA-N 0 0 295.295 1.474 20 5 CDBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1(CO)CC1 ZINC000596432893 343319981 /nfs/dbraw/zinc/31/99/81/343319981.db2.gz KKZSSCWIGUKADX-QMMMGPOBSA-N 0 0 279.296 1.267 20 5 CDBDRN Cc1nn(C)c(N(C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000089635117 342391224 /nfs/dbraw/zinc/39/12/24/342391224.db2.gz AJRASFAHBCLGMO-UHFFFAOYSA-N 0 0 276.296 1.979 20 5 CDBDRN C[C@@H]1CN(CCNc2ncccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434916 343320752 /nfs/dbraw/zinc/32/07/52/343320752.db2.gz YVJMQVHLGZFNAG-WDEREUQCSA-N 0 0 280.328 1.511 20 5 CDBDRN C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000596438678 343321656 /nfs/dbraw/zinc/32/16/56/343321656.db2.gz VIZPBRXACMDNNW-MRVPVSSYSA-N 0 0 279.296 1.267 20 5 CDBDRN C[C@@H](CO)[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000596437636 343321661 /nfs/dbraw/zinc/32/16/61/343321661.db2.gz XMUZTMLQVPFPIB-WDEREUQCSA-N 0 0 265.313 1.977 20 5 CDBDRN CN(Cc1cn(C)nn1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000596484109 343328191 /nfs/dbraw/zinc/32/81/91/343328191.db2.gz LSHMHJQPNROGNO-UHFFFAOYSA-N 0 0 280.263 1.081 20 5 CDBDRN CN(Cc1cn(C)nn1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596485129 343328485 /nfs/dbraw/zinc/32/84/85/343328485.db2.gz XSPMVCADHXLZCY-UHFFFAOYSA-N 0 0 282.691 1.408 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nccn1C ZINC000596486918 343328988 /nfs/dbraw/zinc/32/89/88/343328988.db2.gz BQGRIAQKLFQTGO-MRVPVSSYSA-N 0 0 277.284 1.158 20 5 CDBDRN CC(C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596274582 343294746 /nfs/dbraw/zinc/29/47/46/343294746.db2.gz UQZODAYWPJVZKZ-QMMMGPOBSA-N 0 0 294.311 1.019 20 5 CDBDRN C[C@H](CCCO)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000088597135 342386751 /nfs/dbraw/zinc/38/67/51/342386751.db2.gz YLSHCKWDARDCHZ-LLVKDONJSA-N 0 0 295.339 1.598 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC(=O)N(C)C)c1 ZINC000088698850 342386904 /nfs/dbraw/zinc/38/69/04/342386904.db2.gz BVHBAMZNNVTVPM-UHFFFAOYSA-N 0 0 251.286 1.428 20 5 CDBDRN CSCC1(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000596426512 343311903 /nfs/dbraw/zinc/31/19/03/343311903.db2.gz CEWZTYGUIFMLRX-UHFFFAOYSA-N 0 0 283.357 1.164 20 5 CDBDRN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCSC1 ZINC000270241042 190627744 /nfs/dbraw/zinc/62/77/44/190627744.db2.gz RQWURNVPMWZYQT-ZETCQYMHSA-N 0 0 255.299 1.500 20 5 CDBDRN COC(=O)c1cc(C)nc(N[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC000596554020 343341499 /nfs/dbraw/zinc/34/14/99/343341499.db2.gz BEOQSRDLVXZZPM-ZKCHVHJHSA-N 0 0 281.268 1.020 20 5 CDBDRN O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1C[C@H](O)C1 ZINC000596555080 343341686 /nfs/dbraw/zinc/34/16/86/343341686.db2.gz HNEBSWQKSBDLQV-MGCOHNPYSA-N 0 0 259.265 1.500 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2ccn3ccnc3c2)c1[N+](=O)[O-] ZINC000619566838 349805947 /nfs/dbraw/zinc/80/59/47/349805947.db2.gz YGLPNBIDBOEGKU-UHFFFAOYSA-N 0 0 286.251 1.526 20 5 CDBDRN Cc1cnc(N2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000092978025 342421071 /nfs/dbraw/zinc/42/10/71/342421071.db2.gz LXVUNSQVBLOGEJ-GXSJLCMTSA-N 0 0 251.286 1.505 20 5 CDBDRN CC(C)[C@H](O)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000126732251 187259019 /nfs/dbraw/zinc/25/90/19/187259019.db2.gz VMOWRQGOWPCKFE-SBDDDAINSA-N 0 0 278.308 1.741 20 5 CDBDRN CC[C@@H](CO)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000208629701 342438421 /nfs/dbraw/zinc/43/84/21/342438421.db2.gz DNHAJGGWAIVIBY-ZADCQDASSA-N 0 0 264.281 1.495 20 5 CDBDRN CCc1nn(C)c(N2CC[C@@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000091744464 342407125 /nfs/dbraw/zinc/40/71/25/342407125.db2.gz KPNGZJFGGHNSSG-PWSUYJOCSA-N 0 0 294.355 1.896 20 5 CDBDRN O=C(N1CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000138757963 342442898 /nfs/dbraw/zinc/44/28/98/342442898.db2.gz WTUWGMJMEXPAIZ-UHFFFAOYSA-N 0 0 286.234 1.545 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCO1 ZINC000140534515 342445164 /nfs/dbraw/zinc/44/51/64/342445164.db2.gz KLAHUGVQSSGPBE-ZDUSSCGKSA-N 0 0 294.307 1.659 20 5 CDBDRN C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092309413 342414624 /nfs/dbraw/zinc/41/46/24/342414624.db2.gz ISKYWVPVOVGSRZ-CABZTGNLSA-N 0 0 264.281 1.636 20 5 CDBDRN C[C@H](NC(=O)[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596846602 343402221 /nfs/dbraw/zinc/40/22/21/343402221.db2.gz RBXLICZHIXDAIH-UFBFGSQYSA-N 0 0 264.281 1.543 20 5 CDBDRN COc1cnccc1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000619570162 349806432 /nfs/dbraw/zinc/80/64/32/349806432.db2.gz QJRHWCYYPDQFLM-UHFFFAOYSA-N 0 0 277.284 1.652 20 5 CDBDRN CCC1(NC(=O)c2cc([N+](=O)[O-])cn2C)CCOCC1 ZINC000535635960 282264463 /nfs/dbraw/zinc/26/44/63/282264463.db2.gz FUZQPISJSDMCHG-UHFFFAOYSA-N 0 0 281.312 1.622 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]1c1cccnc1 ZINC000619581214 349810171 /nfs/dbraw/zinc/81/01/71/349810171.db2.gz 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C[C@H](CCCO)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000094946725 367736064 /nfs/dbraw/zinc/73/60/64/367736064.db2.gz ZHYYZNWHSHMVQU-SECBINFHSA-N 0 0 288.325 1.034 20 5 CDBDRN O=[N+]([O-])c1cnn(Cc2nc(-c3ccccn3)no2)c1 ZINC000073529007 370881778 /nfs/dbraw/zinc/88/17/78/370881778.db2.gz YFHBSPRTNIQLQK-UHFFFAOYSA-N 0 0 272.224 1.285 20 5 CDBDRN Cc1c(CSc2nc(N)nc(N)n2)cccc1[N+](=O)[O-] ZINC000193212108 367987426 /nfs/dbraw/zinc/98/74/26/367987426.db2.gz APLPVHMGVWSXPS-UHFFFAOYSA-N 0 0 292.324 1.545 20 5 CDBDRN COc1ccc(NC(=O)N[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000272778338 368154464 /nfs/dbraw/zinc/15/44/64/368154464.db2.gz DHKOZGKXYMFHOP-JTQLQIEISA-N 0 0 295.295 1.904 20 5 CDBDRN C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000272782246 368145021 /nfs/dbraw/zinc/14/50/21/368145021.db2.gz ZONKJNXVWJYHCM-RKDXNWHRSA-N 0 0 280.284 1.536 20 5 CDBDRN CN(C(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352095053 368365854 /nfs/dbraw/zinc/36/58/54/368365854.db2.gz MWDBRPVLBCPASO-SNVBAGLBSA-N 0 0 291.307 1.426 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1cccc(O)c1 ZINC000360743963 368462378 /nfs/dbraw/zinc/46/23/78/368462378.db2.gz HIKOTASJFZTXDJ-QMMMGPOBSA-N 0 0 290.279 1.525 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000330635662 203063064 /nfs/dbraw/zinc/06/30/64/203063064.db2.gz AMXGHKGYANKVCL-MRVPVSSYSA-N 0 0 282.300 1.131 20 5 CDBDRN COCC(C)(C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000330682141 203113365 /nfs/dbraw/zinc/11/33/65/203113365.db2.gz PXNJCXSMRCXKMS-UHFFFAOYSA-N 0 0 281.312 1.795 20 5 CDBDRN COC(=O)[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000337879278 284125501 /nfs/dbraw/zinc/12/55/01/284125501.db2.gz WXMCLQFJTJHSIN-ONGXEEELSA-N 0 0 295.295 1.065 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC=C(F)C1 ZINC000330738949 203174873 /nfs/dbraw/zinc/17/48/73/203174873.db2.gz OIHVKOIYCUTSFM-UHFFFAOYSA-N 0 0 265.244 1.998 20 5 CDBDRN CN(C[C@H]1CCCOC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604531 244276771 /nfs/dbraw/zinc/27/67/71/244276771.db2.gz SGAGIVUNTWWVKJ-SNVBAGLBSA-N 0 0 293.323 1.557 20 5 CDBDRN CS[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420643661 244306774 /nfs/dbraw/zinc/30/67/74/244306774.db2.gz VWAVRGKCXDXDKK-MRVPVSSYSA-N 0 0 281.337 1.635 20 5 CDBDRN COC1([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)CCOCC1 ZINC000420642106 244307655 /nfs/dbraw/zinc/30/76/55/244307655.db2.gz ONVNGHHDQZPSRV-SECBINFHSA-N 0 0 284.316 1.324 20 5 CDBDRN Cc1nn(C)c(N2CCC[C@H](CCO)CC2)c1[N+](=O)[O-] ZINC000420634487 244299646 /nfs/dbraw/zinc/29/96/46/244299646.db2.gz DCXMHBWDHORAMI-NSHDSACASA-N 0 0 282.344 1.626 20 5 CDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]23CCOC3)cc1 ZINC000420770016 244371193 /nfs/dbraw/zinc/37/11/93/244371193.db2.gz ZFJVVXSEIRPARV-GFCCVEGCSA-N 0 0 298.320 1.148 20 5 CDBDRN C[C@@H]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000330868205 203332281 /nfs/dbraw/zinc/33/22/81/203332281.db2.gz PICDNOFBHVNVDP-ZJUUUORDSA-N 0 0 279.296 1.013 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](CO)OC[C@H]1C ZINC000129823761 369592732 /nfs/dbraw/zinc/59/27/32/369592732.db2.gz SBVHVKHNGOHCFG-MFKMUULPSA-N 0 0 296.323 1.185 20 5 CDBDRN COc1cc(C(=O)NC[C@@H]2CCOC2)cc([N+](=O)[O-])c1C ZINC000276592611 193393025 /nfs/dbraw/zinc/39/30/25/193393025.db2.gz BEFRMBDTRAJJQT-JTQLQIEISA-N 0 0 294.307 1.678 20 5 CDBDRN CCCN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276570389 193385218 /nfs/dbraw/zinc/38/52/18/193385218.db2.gz TVFCMRIBJQOGNU-UHFFFAOYSA-N 0 0 295.339 1.800 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[S@@](C)=O ZINC000421799823 244838052 /nfs/dbraw/zinc/83/80/52/244838052.db2.gz FUOYTQCPKHONFS-WVDJIFEKSA-N 0 0 298.364 1.708 20 5 CDBDRN Cc1nn(C)c(NCCc2cccnc2)c1[N+](=O)[O-] ZINC000037718591 369984397 /nfs/dbraw/zinc/98/43/97/369984397.db2.gz SMJAJLSVJNMPDC-UHFFFAOYSA-N 0 0 261.285 1.686 20 5 CDBDRN COc1ccc(NC(=O)C(C)(C)O)cc1[N+](=O)[O-] ZINC000277082495 193550373 /nfs/dbraw/zinc/55/03/73/193550373.db2.gz KQBZDAGUVAUXGE-UHFFFAOYSA-N 0 0 254.242 1.313 20 5 CDBDRN COc1cc(C(=O)NC[C@@H](C)CCCO)ccc1[N+](=O)[O-] ZINC000295461358 370301824 /nfs/dbraw/zinc/30/18/24/370301824.db2.gz PIRILXPLUPJQCL-JTQLQIEISA-N 0 0 296.323 1.742 20 5 CDBDRN COCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000015272648 370445983 /nfs/dbraw/zinc/44/59/83/370445983.db2.gz JXZSUPCAJJSDIF-UHFFFAOYSA-N 0 0 270.310 1.450 20 5 CDBDRN COC[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269513579 370465263 /nfs/dbraw/zinc/46/52/63/370465263.db2.gz PBFMFHDZEMRGTH-VIFPVBQESA-N 0 0 296.327 1.550 20 5 CDBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H](C)N(C)C1=O ZINC000277464702 193663022 /nfs/dbraw/zinc/66/30/22/193663022.db2.gz UKNFBCDSABWADL-BDAKNGLRSA-N 0 0 277.280 1.938 20 5 CDBDRN C[C@@](O)(CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000331699500 204086814 /nfs/dbraw/zinc/08/68/14/204086814.db2.gz VVQRHMZYGLXPDL-LLVKDONJSA-N 0 0 270.310 1.547 20 5 CDBDRN CN(Cc1c([N+](=O)[O-])ncn1C)C1Cc2ccccc2C1 ZINC000331751528 204124037 /nfs/dbraw/zinc/12/40/37/204124037.db2.gz GQEJSHMMFKRWLW-UHFFFAOYSA-N 0 0 286.335 1.928 20 5 CDBDRN CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000331797758 204174281 /nfs/dbraw/zinc/17/42/81/204174281.db2.gz RIYCUXHJYPFDCQ-UHFFFAOYSA-N 0 0 256.283 1.252 20 5 CDBDRN O=[N+]([O-])c1cccc(Cn2nnnc2C2CCOCC2)c1 ZINC000331955125 204332031 /nfs/dbraw/zinc/33/20/31/204332031.db2.gz PRFPRLXRGMEMFZ-UHFFFAOYSA-N 0 0 289.295 1.524 20 5 CDBDRN COC1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000332013854 204390078 /nfs/dbraw/zinc/39/00/78/204390078.db2.gz UHTCEJUFVFBENL-UHFFFAOYSA-N 0 0 270.672 1.719 20 5 CDBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1csnn1 ZINC000352191882 284281999 /nfs/dbraw/zinc/28/19/99/284281999.db2.gz XSJBKTBOQBVGBV-UHFFFAOYSA-N 0 0 268.229 1.838 20 5 CDBDRN Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000332127594 204484441 /nfs/dbraw/zinc/48/44/41/204484441.db2.gz DENACHCQOFYITR-SCZZXKLOSA-N 0 0 284.337 1.838 20 5 CDBDRN C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000296023651 371753611 /nfs/dbraw/zinc/75/36/11/371753611.db2.gz SDBALAKOYFRCHE-GGZOMVNGSA-N 0 0 252.270 1.005 20 5 CDBDRN CSc1cccc(C(=O)N[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000332417158 204677950 /nfs/dbraw/zinc/67/79/50/204677950.db2.gz CPHZSPRHIPWBKW-OCAPTIKFSA-N 0 0 282.321 1.570 20 5 CDBDRN CO[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000388264996 372041539 /nfs/dbraw/zinc/04/15/39/372041539.db2.gz FBBRDJZGZNHUOR-WRWORJQWSA-N 0 0 294.311 1.115 20 5 CDBDRN O=C(Nc1ccc(F)cn1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000192683427 284310523 /nfs/dbraw/zinc/31/05/23/284310523.db2.gz OLZQFDVALIGODI-UHFFFAOYSA-N 0 0 278.199 1.482 20 5 CDBDRN CC1(C)C[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000299036382 372393920 /nfs/dbraw/zinc/39/39/20/372393920.db2.gz IVNQHNZPLMOFJI-JTQLQIEISA-N 0 0 285.325 1.453 20 5 CDBDRN CC[C@]1(C)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000332711942 204919739 /nfs/dbraw/zinc/91/97/39/204919739.db2.gz PBNGOARLBAIHID-LLVKDONJSA-N 0 0 252.274 1.580 20 5 CDBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277622145 193710425 /nfs/dbraw/zinc/71/04/25/193710425.db2.gz RAHFDTPLXRLMBL-FVINQWEUSA-N 0 0 296.348 1.435 20 5 CDBDRN CCn1cc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000356523435 372928743 /nfs/dbraw/zinc/92/87/43/372928743.db2.gz TYRICFQPDHCPMN-UHFFFAOYSA-N 0 0 292.270 1.880 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1(C)C ZINC000356749830 373049562 /nfs/dbraw/zinc/04/95/62/373049562.db2.gz YNBXZBDPUOCJKO-SECBINFHSA-N 0 0 280.328 1.837 20 5 CDBDRN CNC(=O)c1ccc(SCCOC)c([N+](=O)[O-])c1 ZINC000266506302 373065272 /nfs/dbraw/zinc/06/52/72/373065272.db2.gz WPYOSMHFKUBVFG-UHFFFAOYSA-N 0 0 270.310 1.693 20 5 CDBDRN C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)CCO1 ZINC000356742482 373045945 /nfs/dbraw/zinc/04/59/45/373045945.db2.gz KFMVREUVJSFYHU-NXEZZACHSA-N 0 0 296.327 1.263 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCCCO1 ZINC000356741796 373047087 /nfs/dbraw/zinc/04/70/87/373047087.db2.gz JNAWIPYPLIPIJV-WCBMZHEXSA-N 0 0 282.300 1.016 20 5 CDBDRN CCNC(=O)C(C)(C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000161339748 373166388 /nfs/dbraw/zinc/16/63/88/373166388.db2.gz JUKGSOQYCVXBTG-UHFFFAOYSA-N 0 0 280.328 1.872 20 5 CDBDRN C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269652697 373369309 /nfs/dbraw/zinc/36/93/09/373369309.db2.gz JOGXDGIHUTVYBN-ZCFIWIBFSA-N 0 0 292.213 1.724 20 5 CDBDRN Nc1nc(N2CCc3ccccc3CC2)ncc1[N+](=O)[O-] ZINC000301307856 373503617 /nfs/dbraw/zinc/50/36/17/373503617.db2.gz CHVDYFMLERZTKR-UHFFFAOYSA-N 0 0 285.307 1.572 20 5 CDBDRN CN(Cc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000301335433 373508486 /nfs/dbraw/zinc/50/84/86/373508486.db2.gz CSUFXPIQIQTUGA-UHFFFAOYSA-N 0 0 251.221 1.488 20 5 CDBDRN Cc1n[nH]c(CCNc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000269671881 373522712 /nfs/dbraw/zinc/52/27/12/373522712.db2.gz XJTNSKOOSQGCPW-UHFFFAOYSA-N 0 0 283.238 1.954 20 5 CDBDRN COCCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044398432 373626631 /nfs/dbraw/zinc/62/66/31/373626631.db2.gz BJVCDMOLWHLRJW-UHFFFAOYSA-N 0 0 299.352 1.061 20 5 CDBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1C[C@@H](O)C1 ZINC000298438172 373601880 /nfs/dbraw/zinc/60/18/80/373601880.db2.gz PCEYHBFMTOOMIO-KLPPZKSPSA-N 0 0 289.291 1.189 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCn1cccn1 ZINC000192989024 373663438 /nfs/dbraw/zinc/66/34/38/373663438.db2.gz ZVFNTPRKQFOEDO-UHFFFAOYSA-N 0 0 288.307 1.920 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000301598007 373766585 /nfs/dbraw/zinc/76/65/85/373766585.db2.gz HDIQXUGSQXDCBO-UONOGXRCSA-N 0 0 278.308 1.979 20 5 CDBDRN CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481045 373968772 /nfs/dbraw/zinc/96/87/72/373968772.db2.gz ZBOOCKJYUQOOSH-UHFFFAOYSA-N 0 0 274.298 1.244 20 5 CDBDRN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000274181872 374156276 /nfs/dbraw/zinc/15/62/76/374156276.db2.gz DKEFJOKDBPTLED-MWLCHTKSSA-N 0 0 279.296 1.610 20 5 CDBDRN CN(C(=O)CN(CCO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000298769917 374165670 /nfs/dbraw/zinc/16/56/70/374165670.db2.gz RJDDGBXUXHOLQW-UHFFFAOYSA-N 0 0 293.323 1.014 20 5 CDBDRN Nc1c([N+](=O)[O-])cnn1Cc1cccc(F)c1F ZINC000104241338 374264054 /nfs/dbraw/zinc/26/40/54/374264054.db2.gz MOCVHRYFMODABR-UHFFFAOYSA-N 0 0 254.196 1.700 20 5 CDBDRN C[C@H]1[C@H](NCc2csc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000311237978 374247850 /nfs/dbraw/zinc/24/78/50/374247850.db2.gz XJWULZAPFVTMTG-IONNQARKSA-N 0 0 290.366 1.322 20 5 CDBDRN COC(C)(C)CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420598526 374298601 /nfs/dbraw/zinc/29/86/01/374298601.db2.gz JTGOQMPZADZTPR-UHFFFAOYSA-N 0 0 267.285 1.531 20 5 CDBDRN CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H](C)O ZINC000420025155 374283503 /nfs/dbraw/zinc/28/35/03/374283503.db2.gz BCLRCJTYGIETKG-ZYHUDNBSSA-N 0 0 280.324 1.926 20 5 CDBDRN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1C ZINC000421533845 374319898 /nfs/dbraw/zinc/31/98/98/374319898.db2.gz SDYLFRLRWIJBHW-UHFFFAOYSA-N 0 0 289.295 1.901 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000543729942 374324962 /nfs/dbraw/zinc/32/49/62/374324962.db2.gz KSORHMANIDMXRK-JHJVBQTASA-N 0 0 276.292 1.636 20 5 CDBDRN C[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000421791616 374332614 /nfs/dbraw/zinc/33/26/14/374332614.db2.gz JPVPJDLMTNMNHE-LLVKDONJSA-N 0 0 296.233 1.877 20 5 CDBDRN Cc1nn(C)c(N2CCC[C@@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000114708922 374346143 /nfs/dbraw/zinc/34/61/43/374346143.db2.gz BWLUXFIHFPOKJP-SNVBAGLBSA-N 0 0 290.327 1.744 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(C2CCSCC2)no1 ZINC000347128742 374352577 /nfs/dbraw/zinc/35/25/77/374352577.db2.gz GSTWWRYMISSXHU-UHFFFAOYSA-N 0 0 295.324 1.989 20 5 CDBDRN COC(=O)/C=C/c1ccc(NC[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000299101035 374396257 /nfs/dbraw/zinc/39/62/57/374396257.db2.gz ZFOBFHUUSVVEOD-RWCYGVJQSA-N 0 0 294.307 1.821 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000423994101 374399804 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CCOc1cccc(NCC[S@](C)=O)c1[N+](=O)[O-] ZINC000169283847 757052859 /nfs/dbraw/zinc/05/28/59/757052859.db2.gz MCVZLKXTHGWONI-GOSISDBHSA-N 0 0 272.326 1.784 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1COC(=O)C1=COCC1 ZINC000797474480 757063972 /nfs/dbraw/zinc/06/39/72/757063972.db2.gz FOKAOIYYWXBAPY-UHFFFAOYSA-N 0 0 279.248 1.951 20 5 CDBDRN CCNC(=O)CCOC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000816118015 757071946 /nfs/dbraw/zinc/07/19/46/757071946.db2.gz XJGBZZQQYMZAKL-UHFFFAOYSA-N 0 0 296.279 1.286 20 5 CDBDRN CON(C)C(=O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000817124249 757074785 /nfs/dbraw/zinc/07/47/85/757074785.db2.gz BPMRDXDQXAOTAP-UHFFFAOYSA-N 0 0 253.258 1.335 20 5 CDBDRN O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1COCO1 ZINC000853686990 757090863 /nfs/dbraw/zinc/09/08/63/757090863.db2.gz IDYLUELAOJJUFN-VIFPVBQESA-N 0 0 275.264 1.928 20 5 CDBDRN CCNC(=O)COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011312209 757103409 /nfs/dbraw/zinc/10/34/09/757103409.db2.gz FPJILXFNLJPULI-UHFFFAOYSA-N 0 0 295.295 1.076 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)Cc1ccc(Cl)cn1 ZINC000873534057 757106847 /nfs/dbraw/zinc/10/68/47/757106847.db2.gz TWLYOFPDQLPCOA-ZETCQYMHSA-N 0 0 258.661 1.486 20 5 CDBDRN Cn1c(C(=O)OCC(=O)NCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000859481265 757115942 /nfs/dbraw/zinc/11/59/42/757115942.db2.gz CYLSOIYGKKIHOX-UHFFFAOYSA-N 0 0 297.311 1.252 20 5 CDBDRN COC(=O)[C@H]1CCN1C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000888066638 757211761 /nfs/dbraw/zinc/21/17/61/757211761.db2.gz NJGXZSFGYQXYGE-SNVBAGLBSA-N 0 0 278.264 1.291 20 5 CDBDRN CC[C@H](O)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934849824 757253679 /nfs/dbraw/zinc/25/36/79/757253679.db2.gz UZXJJNNKUGLFIL-MELADBBJSA-N 0 0 292.335 1.976 20 5 CDBDRN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(F)F ZINC000786517949 757304531 /nfs/dbraw/zinc/30/45/31/757304531.db2.gz FJKHOJHZDUQUNT-YFKPBYRVSA-N 0 0 260.196 1.987 20 5 CDBDRN CCn1ncc(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855751385 757311210 /nfs/dbraw/zinc/31/12/10/757311210.db2.gz SNXNOANIXHBNGG-UHFFFAOYSA-N 0 0 290.283 1.349 20 5 CDBDRN CCC(=O)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001060372991 757316004 /nfs/dbraw/zinc/31/60/04/757316004.db2.gz RCHFOAGXTSXGKN-IMRBUKKESA-N 0 0 275.308 1.556 20 5 CDBDRN COC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000884775637 757325048 /nfs/dbraw/zinc/32/50/48/757325048.db2.gz HODKACDNOSWVDR-VIFPVBQESA-N 0 0 265.269 1.530 20 5 CDBDRN C[C@@H]1CCC(=O)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000885102821 757333839 /nfs/dbraw/zinc/33/38/39/757333839.db2.gz BZLSEGDAEYPFAI-SNVBAGLBSA-N 0 0 292.291 1.554 20 5 CDBDRN C[C@H]1CCCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000173524231 757339136 /nfs/dbraw/zinc/33/91/36/757339136.db2.gz JOQQZBARTFXUCT-VIFPVBQESA-N 0 0 289.291 1.633 20 5 CDBDRN C[C@H](CCc1ccco1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839466513 757339834 /nfs/dbraw/zinc/33/98/34/757339834.db2.gz AYJCPTOIIHWSJP-FBIMIBRVSA-N 0 0 252.270 1.382 20 5 CDBDRN CN(CC(=O)O[C@]1(C)CCOC1)c1ccccc1[N+](=O)[O-] ZINC000802902548 757364364 /nfs/dbraw/zinc/36/43/64/757364364.db2.gz QYOSBIQYVNJWGM-CQSZACIVSA-N 0 0 294.307 1.753 20 5 CDBDRN O=C(NC1=NCCS1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929449268 757442861 /nfs/dbraw/zinc/44/28/61/757442861.db2.gz GGDBQMYDUNSUOR-MNOVXSKESA-N 0 0 291.332 1.917 20 5 CDBDRN CC(=O)N1CC(OC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873538462 757469238 /nfs/dbraw/zinc/46/92/38/757469238.db2.gz XQKAPZUUANREHR-UHFFFAOYSA-N 0 0 292.291 1.599 20 5 CDBDRN CC[C@H](C)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830242325 757469330 /nfs/dbraw/zinc/46/93/30/757469330.db2.gz GTRFTNHNWAFKFC-UFBFGSQYSA-N 0 0 284.287 1.871 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NOC1CCC1 ZINC000836799949 757485847 /nfs/dbraw/zinc/48/58/47/757485847.db2.gz PILJVLSYKFMSFE-UHFFFAOYSA-N 0 0 269.232 1.530 20 5 CDBDRN O=C(OCC(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109185399 757486309 /nfs/dbraw/zinc/48/63/09/757486309.db2.gz VLVHJRDBOISSMU-UHFFFAOYSA-N 0 0 298.205 1.597 20 5 CDBDRN COc1ccc(-c2cn(CC(C)(C)[N+](=O)[O-])nn2)cn1 ZINC000864641844 757553232 /nfs/dbraw/zinc/55/32/32/757553232.db2.gz DIELWZVRUGVBEK-UHFFFAOYSA-N 0 0 277.284 1.404 20 5 CDBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](CCCO)C1 ZINC000837194341 757553812 /nfs/dbraw/zinc/55/38/12/757553812.db2.gz IVFUBLNQFDNHSU-JTQLQIEISA-N 0 0 296.298 1.969 20 5 CDBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC1(CO)CC1 ZINC000804531933 757712944 /nfs/dbraw/zinc/71/29/44/757712944.db2.gz KGAASFXMNKLULB-UHFFFAOYSA-N 0 0 267.241 1.687 20 5 CDBDRN Cc1cccnc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823128623 757801140 /nfs/dbraw/zinc/80/11/40/757801140.db2.gz GDIKYRAKUBCIPF-UHFFFAOYSA-N 0 0 265.313 1.842 20 5 CDBDRN O=C(NC1CC(=O)C1)c1cc([N+](=O)[O-])ccc1F ZINC000717135685 757812406 /nfs/dbraw/zinc/81/24/06/757812406.db2.gz UUAGJOORERLRDL-UHFFFAOYSA-N 0 0 252.201 1.195 20 5 CDBDRN COC1(OC)CCOC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000931669113 757814058 /nfs/dbraw/zinc/81/40/58/757814058.db2.gz SBOCVHMWUUINJM-ZDUSSCGKSA-N 0 0 296.323 1.462 20 5 CDBDRN Nc1cc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)ncn1 ZINC000820975925 757816772 /nfs/dbraw/zinc/81/67/72/757816772.db2.gz WVBJCOYTEMLYAG-UHFFFAOYSA-N 0 0 290.264 1.746 20 5 CDBDRN Cc1cc(=O)[nH]c([C@H](C)n2nc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000829837939 757833469 /nfs/dbraw/zinc/83/34/69/757833469.db2.gz PFTYKSYVVWJYEC-LURJTMIESA-N 0 0 294.227 1.113 20 5 CDBDRN CCOc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC000839477818 757841840 /nfs/dbraw/zinc/84/18/40/757841840.db2.gz JYOPCBACZKNLAL-NXEZZACHSA-N 0 0 280.280 1.698 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000830555550 757854614 /nfs/dbraw/zinc/85/46/14/757854614.db2.gz ZBFKVFQAYQEWDL-OCAPTIKFSA-N 0 0 268.244 1.295 20 5 CDBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2C=CCC2)cc1 ZINC000882561066 757855276 /nfs/dbraw/zinc/85/52/76/757855276.db2.gz OCQLMBAZVZOIMS-NSHDSACASA-N 0 0 296.348 1.980 20 5 CDBDRN O=C(NCc1nc2c(s1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839629422 757860428 /nfs/dbraw/zinc/86/04/28/757860428.db2.gz JYSBGCCFXAWJAE-VXNVDRBHSA-N 0 0 281.337 1.303 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CC[S@@](=O)[C@@H](C)C(C)C ZINC000871610763 757878319 /nfs/dbraw/zinc/87/83/19/757878319.db2.gz MVQNVWWFLWWXND-NIVTXAMTSA-N 0 0 273.358 1.893 20 5 CDBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(O)C1 ZINC000934142095 757880866 /nfs/dbraw/zinc/88/08/66/757880866.db2.gz VTOIPNNDWZSSCW-ZDUSSCGKSA-N 0 0 296.348 1.914 20 5 CDBDRN CO[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000887405191 757884588 /nfs/dbraw/zinc/88/45/88/757884588.db2.gz VGGLYKMRTBTUHR-ZJUUUORDSA-N 0 0 266.297 1.849 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCSCc1ncccn1 ZINC000871702920 758022859 /nfs/dbraw/zinc/02/28/59/758022859.db2.gz XXIIHNGAKAVCFH-UHFFFAOYSA-N 0 0 279.325 1.823 20 5 CDBDRN CCO[C@@H]1COC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000832445694 758031297 /nfs/dbraw/zinc/03/12/97/758031297.db2.gz CGMHLMXSCNCUFR-DGCLKSJQSA-N 0 0 284.287 1.627 20 5 CDBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1nc[nH]n1 ZINC000230422404 758047156 /nfs/dbraw/zinc/04/71/56/758047156.db2.gz KOOBWRZWURTWJK-ZCFIWIBFSA-N 0 0 295.686 1.857 20 5 CDBDRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCCOC1 ZINC000882450356 758053354 /nfs/dbraw/zinc/05/33/54/758053354.db2.gz QAJFUHUYFUFYLQ-MNOVXSKESA-N 0 0 295.339 1.868 20 5 CDBDRN C[C@H](CO)N(C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823944624 758064010 /nfs/dbraw/zinc/06/40/10/758064010.db2.gz BDRFILUFAVNZRE-SSDOTTSWSA-N 0 0 268.273 1.022 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CO)C1 ZINC000843762913 758176082 /nfs/dbraw/zinc/17/60/82/758176082.db2.gz GJMMMLOXUQJARS-SNVBAGLBSA-N 0 0 296.298 1.887 20 5 CDBDRN Cc1nn(C)c(C(=O)OC[C@@H]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000795354652 758239688 /nfs/dbraw/zinc/23/96/88/758239688.db2.gz RVJDQSUEXLCDAQ-NXEZZACHSA-N 0 0 297.311 1.345 20 5 CDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885224945 758272617 /nfs/dbraw/zinc/27/26/17/758272617.db2.gz XMJMICZNJAOCPU-GHMZBOCLSA-N 0 0 290.323 1.969 20 5 CDBDRN CC(C)[C@@H](F)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000784309593 758293179 /nfs/dbraw/zinc/29/31/79/758293179.db2.gz JSGYPSQQIASTLT-LLVKDONJSA-N 0 0 286.259 1.294 20 5 CDBDRN COc1ccccc1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000054868947 758312630 /nfs/dbraw/zinc/31/26/30/758312630.db2.gz SAHNHDXZHHKRNC-UHFFFAOYSA-N 0 0 291.263 1.543 20 5 CDBDRN C[C@H]1CN(C)C(=O)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000875580147 758320654 /nfs/dbraw/zinc/32/06/54/758320654.db2.gz FGSIANTTYFDAIA-QMMMGPOBSA-N 0 0 295.270 1.037 20 5 CDBDRN CC(=O)c1c(NC[C@H]2COCCN2C)cccc1[N+](=O)[O-] ZINC000882658961 758349530 /nfs/dbraw/zinc/34/95/30/758349530.db2.gz KSQCHFDCUCSMLL-NSHDSACASA-N 0 0 293.323 1.540 20 5 CDBDRN O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c(F)c1 ZINC000886227098 758376758 /nfs/dbraw/zinc/37/67/58/758376758.db2.gz WKUIBXGZIYVCLE-WCQYABFASA-N 0 0 298.314 1.754 20 5 CDBDRN O=C(NCc1ccnc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000823622507 758424643 /nfs/dbraw/zinc/42/46/43/758424643.db2.gz SKRSVDOCTMDKLJ-HTQZYQBOSA-N 0 0 255.661 1.016 20 5 CDBDRN COC1(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000887399299 758455872 /nfs/dbraw/zinc/45/58/72/758455872.db2.gz RTSQFZTVKKKVSM-JTQLQIEISA-N 0 0 278.308 1.994 20 5 CDBDRN C[C@H](COC(=O)c1cnn(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813112568 758478247 /nfs/dbraw/zinc/47/82/47/758478247.db2.gz INTSWYMRLZCTPS-MRVPVSSYSA-N 0 0 294.242 1.228 20 5 CDBDRN CC(C)(Cn1cc(CO[C@H]2CCCCO2)nn1)[N+](=O)[O-] ZINC000887423517 758554459 /nfs/dbraw/zinc/55/44/59/758554459.db2.gz ZFSFMGCPRIVQSL-NSHDSACASA-N 0 0 284.316 1.377 20 5 CDBDRN Cc1ccc(O[C@H](C)C(=O)OCCC[N+](=O)[O-])cc1 ZINC000860913964 758555321 /nfs/dbraw/zinc/55/53/21/758555321.db2.gz MWMVOZYEBRWHNX-LLVKDONJSA-N 0 0 267.281 1.972 20 5 CDBDRN CCc1[nH]nc(C(=O)OCc2cn(C)nc2C)c1[N+](=O)[O-] ZINC000837655915 758574335 /nfs/dbraw/zinc/57/43/35/758574335.db2.gz CDMGZAVZTLJNBC-UHFFFAOYSA-N 0 0 293.283 1.279 20 5 CDBDRN CC(=O)N[C@@H](C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000801185033 758594915 /nfs/dbraw/zinc/59/49/15/758594915.db2.gz LLZNMWQRQJOJKI-ZETCQYMHSA-N 0 0 284.243 1.302 20 5 CDBDRN CON1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000853671317 758636130 /nfs/dbraw/zinc/63/61/30/758636130.db2.gz MYMWVYSNZHFPJQ-UHFFFAOYSA-N 0 0 272.692 1.327 20 5 CDBDRN COC[C@H](C)CC(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853904364 758641096 /nfs/dbraw/zinc/64/10/96/758641096.db2.gz WKXSKKFLNIYSOG-SSDOTTSWSA-N 0 0 272.257 1.607 20 5 CDBDRN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000780632658 758654426 /nfs/dbraw/zinc/65/44/26/758654426.db2.gz MMTYSDYGLOBXMF-VIFPVBQESA-N 0 0 293.323 1.670 20 5 CDBDRN CC(C)(CCc1noc(COC[C@@H]2CCCO2)n1)[N+](=O)[O-] ZINC000812815670 758670098 /nfs/dbraw/zinc/67/00/98/758670098.db2.gz VCDDFFFLCCDREZ-JTQLQIEISA-N 0 0 299.327 1.753 20 5 CDBDRN Cc1nn(CN2CCO[C@H]3C[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000793605464 758729859 /nfs/dbraw/zinc/72/98/59/758729859.db2.gz DNIYGKAOAKRWGI-NEPJUHHUSA-N 0 0 289.295 1.079 20 5 CDBDRN CN1CC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000928564941 758758712 /nfs/dbraw/zinc/75/87/12/758758712.db2.gz XNYGCJLZNYKZPX-SNVBAGLBSA-N 0 0 283.715 1.682 20 5 CDBDRN O=[N+]([O-])c1ccnn1CN1CCC[C@@H](OCC2CC2)C1 ZINC000777552495 758766867 /nfs/dbraw/zinc/76/68/67/758766867.db2.gz QBIYWXMGZLYQBF-GFCCVEGCSA-N 0 0 280.328 1.640 20 5 CDBDRN CC(C)Oc1ncccc1C(=O)OCCC[N+](=O)[O-] ZINC000860918190 758809675 /nfs/dbraw/zinc/80/96/75/758809675.db2.gz AILWUCWPUVVAEG-UHFFFAOYSA-N 0 0 268.269 1.692 20 5 CDBDRN CC(=O)[C@H](C)OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000797496853 758829414 /nfs/dbraw/zinc/82/94/14/758829414.db2.gz GNCVZQBDMFHMIS-JTQLQIEISA-N 0 0 281.264 1.803 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H](C)O ZINC000843813046 758829878 /nfs/dbraw/zinc/82/98/78/758829878.db2.gz GVHJAQFDAZBKCQ-SSDOTTSWSA-N 0 0 270.260 1.495 20 5 CDBDRN 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Cc1noc(CN(C)C[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000595295129 343026423 /nfs/dbraw/zinc/02/64/23/343026423.db2.gz GLXMDEVUQWQURP-JTQLQIEISA-N 0 0 269.301 1.892 20 5 CDBDRN Cc1noc(CN2CCO[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595344549 343044231 /nfs/dbraw/zinc/04/42/31/343044231.db2.gz GNNOAGHLJCEGBR-RKDXNWHRSA-N 0 0 255.274 1.500 20 5 CDBDRN Cc1noc(CN2CCO[C@H](COC(C)C)C2)c1[N+](=O)[O-] ZINC000595439634 343061308 /nfs/dbraw/zinc/06/13/08/343061308.db2.gz IQFUTXAMMAMJDF-NSHDSACASA-N 0 0 299.327 1.517 20 5 CDBDRN C[C@H](NC(=O)NCCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000595480112 343065274 /nfs/dbraw/zinc/06/52/74/343065274.db2.gz IXRUJIWJYKPNTF-JTQLQIEISA-N 0 0 299.302 1.941 20 5 CDBDRN Cc1noc(CN2CC[S@](=O)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595460679 343070461 /nfs/dbraw/zinc/07/04/61/343070461.db2.gz YNVFJUXGJDAYPU-YLVJLNSGSA-N 0 0 287.341 1.092 20 5 CDBDRN Cc1noc(CN2C[C@@H](CO)c3ccccc32)c1[N+](=O)[O-] ZINC000595502922 343079614 /nfs/dbraw/zinc/07/96/14/343079614.db2.gz XKUAEQSTPUUYNB-JTQLQIEISA-N 0 0 289.291 1.987 20 5 CDBDRN C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076701082 342324475 /nfs/dbraw/zinc/32/44/75/342324475.db2.gz ZIRIWJOOCGZQMD-AOOOYVTPSA-N 0 0 291.307 1.648 20 5 CDBDRN Cc1noc([C@H](C)N(C)Cc2onc(C)c2[N+](=O)[O-])n1 ZINC000595563503 343099139 /nfs/dbraw/zinc/09/91/39/343099139.db2.gz VLGYXAWXIKXWJL-ZETCQYMHSA-N 0 0 281.272 1.776 20 5 CDBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000077226968 342328651 /nfs/dbraw/zinc/32/86/51/342328651.db2.gz PVUPETJERNNFFC-HTQZYQBOSA-N 0 0 251.290 1.592 20 5 CDBDRN CCN(C)C(=O)COc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000351514079 362044071 /nfs/dbraw/zinc/04/40/71/362044071.db2.gz YLKVUESQFVGIQS-UHFFFAOYSA-N 0 0 296.279 1.239 20 5 CDBDRN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000227768953 362064647 /nfs/dbraw/zinc/06/46/47/362064647.db2.gz VXJLCQNJFVMLSG-GFCCVEGCSA-N 0 0 264.281 1.636 20 5 CDBDRN C[C@H](CS(C)(=O)=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078250942 342334878 /nfs/dbraw/zinc/33/48/78/342334878.db2.gz WIXRXIRFUVPBQU-SECBINFHSA-N 0 0 272.326 1.464 20 5 CDBDRN O=c1c2cccnc2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000595633853 343122422 /nfs/dbraw/zinc/12/24/22/343122422.db2.gz BFLAHQNFZQRCED-UHFFFAOYSA-N 0 0 282.259 1.748 20 5 CDBDRN CCC1(O)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078453000 342337326 /nfs/dbraw/zinc/33/73/26/342337326.db2.gz BBKFSXHGBIGYPR-UHFFFAOYSA-N 0 0 293.323 1.435 20 5 CDBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C)cn1 ZINC000535035155 282227938 /nfs/dbraw/zinc/22/79/38/282227938.db2.gz YXECZFWRDNCZKG-UHFFFAOYSA-N 0 0 274.280 1.619 20 5 CDBDRN C[C@H](O)CCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600966640 342354991 /nfs/dbraw/zinc/35/49/91/342354991.db2.gz ROGGPGGYUGBYRH-VIFPVBQESA-N 0 0 262.269 1.489 20 5 CDBDRN CN1CCN(Cc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000268029650 282957808 /nfs/dbraw/zinc/95/78/08/282957808.db2.gz MCLPYEPKQJEPIJ-UHFFFAOYSA-N 0 0 277.324 1.647 20 5 CDBDRN COc1cc(N(C)[C@H]2CCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000080693495 342359297 /nfs/dbraw/zinc/35/92/97/342359297.db2.gz YYDLFAGHTXQRKN-NSHDSACASA-N 0 0 279.296 1.270 20 5 CDBDRN Cc1noc(Cn2cnc(C)c(C)c2=O)c1[N+](=O)[O-] ZINC000596023592 343215442 /nfs/dbraw/zinc/21/54/42/343215442.db2.gz NUUKOTQHWNRPQI-UHFFFAOYSA-N 0 0 264.241 1.113 20 5 CDBDRN Cc1nn(C)c(C(=O)NC2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000535054802 282233395 /nfs/dbraw/zinc/23/33/95/282233395.db2.gz QJUSFUGGTMSPKO-YUMQZZPRSA-N 0 0 296.327 1.323 20 5 CDBDRN CCNC(=O)CN(C)c1cc(C)sc1[N+](=O)[O-] ZINC000596088025 343233496 /nfs/dbraw/zinc/23/34/96/343233496.db2.gz KYAWEMSZTCLCGI-UHFFFAOYSA-N 0 0 257.315 1.537 20 5 CDBDRN O=c1[nH]ccc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596088039 343233517 /nfs/dbraw/zinc/23/35/17/343233517.db2.gz LMDGTKKJJXLXJD-UHFFFAOYSA-N 0 0 278.312 1.227 20 5 CDBDRN O=[N+]([O-])c1cnc(SCCCNc2ncccn2)nc1 ZINC000273159502 192061503 /nfs/dbraw/zinc/06/15/03/192061503.db2.gz JYBNXLSPZUYLKW-UHFFFAOYSA-N 0 0 292.324 1.769 20 5 CDBDRN C[C@@H](O)C[C@@H](C)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596136677 343240595 /nfs/dbraw/zinc/24/05/95/343240595.db2.gz WLYJWDMQHHODAE-HTQZYQBOSA-N 0 0 255.274 1.514 20 5 CDBDRN Cc1cc(NCc2nnnn2C2CC2)c([N+](=O)[O-])s1 ZINC000596143012 343242223 /nfs/dbraw/zinc/24/22/23/343242223.db2.gz VLCWVFVQYQSHDK-UHFFFAOYSA-N 0 0 280.313 1.898 20 5 CDBDRN CSC[C@H](CCO)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596143687 343242633 /nfs/dbraw/zinc/24/26/33/343242633.db2.gz GJQNLAGGNSRGAC-ZETCQYMHSA-N 0 0 273.314 1.221 20 5 CDBDRN CN(CCn1cccn1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596121348 343248215 /nfs/dbraw/zinc/24/82/15/343248215.db2.gz WGIKUSILLYDMIW-UHFFFAOYSA-N 0 0 263.257 1.028 20 5 CDBDRN O=C1[C@@H](Nc2cccc([N+](=O)[O-])c2)CCN1C1CC1 ZINC000081082061 342365095 /nfs/dbraw/zinc/36/50/95/342365095.db2.gz PMLVMOXRHLFTNA-LBPRGKRZSA-N 0 0 261.281 1.770 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1Nc1cnn(CC(F)F)c1 ZINC000265334263 362139256 /nfs/dbraw/zinc/13/92/56/362139256.db2.gz NIDUIOPTEWDOGW-UHFFFAOYSA-N 0 0 272.215 1.534 20 5 CDBDRN CC(C)n1cc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])nn1 ZINC000596239903 343284193 /nfs/dbraw/zinc/28/41/93/343284193.db2.gz OJPGUJXEGCNNFH-UHFFFAOYSA-N 0 0 278.272 1.480 20 5 CDBDRN Nc1ccc(N2CCC[C@@H](n3ccnn3)C2)nc1[N+](=O)[O-] ZINC000596281177 343286968 /nfs/dbraw/zinc/28/69/68/343286968.db2.gz OBOGDPBGUOISOA-SECBINFHSA-N 0 0 289.299 1.005 20 5 CDBDRN CC[C@@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596162756 343256842 /nfs/dbraw/zinc/25/68/42/343256842.db2.gz IBZDWPSLHJUFEU-SECBINFHSA-N 0 0 299.352 1.479 20 5 CDBDRN COC(=O)C[C@H]1CCCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596169835 343258373 /nfs/dbraw/zinc/25/83/73/343258373.db2.gz JWYGJGQUBKBTFM-MRVPVSSYSA-N 0 0 280.284 1.104 20 5 CDBDRN Nc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1[N+](=O)[O-] ZINC000596172894 343259615 /nfs/dbraw/zinc/25/96/15/343259615.db2.gz NZWWAERDVXYLOK-AXTRIDKLSA-N 0 0 290.323 1.363 20 5 CDBDRN CC[C@](C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)OC ZINC000596253731 343275212 /nfs/dbraw/zinc/27/52/12/343275212.db2.gz CXVXEALOMXWSDT-CYBMUJFWSA-N 0 0 281.312 1.921 20 5 CDBDRN O=c1[nH]ccc(NCCC2(CO)CC2)c1[N+](=O)[O-] ZINC000596256551 343276330 /nfs/dbraw/zinc/27/63/30/343276330.db2.gz CFLPSNYRMJPAEA-UHFFFAOYSA-N 0 0 253.258 1.270 20 5 CDBDRN Cc1noc(CN2C(=O)C[C@](C)(C(C)C)C2=O)c1[N+](=O)[O-] ZINC000596256821 343276542 /nfs/dbraw/zinc/27/65/42/343276542.db2.gz FTTNAZDOPRPSHU-CYBMUJFWSA-N 0 0 295.295 1.812 20 5 CDBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](O)C(C)C ZINC000596270386 343281605 /nfs/dbraw/zinc/28/16/05/343281605.db2.gz GESBUPRJWFQBQG-DGCLKSJQSA-N 0 0 295.339 1.901 20 5 CDBDRN Cc1nn(C)c(NCc2c(C3CC3)cnn2C)c1[N+](=O)[O-] ZINC000596473019 343325712 /nfs/dbraw/zinc/32/57/12/343325712.db2.gz FAJHSZCMHFBABN-UHFFFAOYSA-N 0 0 290.327 1.860 20 5 CDBDRN Cc1nc(N2CCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596490054 343330008 /nfs/dbraw/zinc/33/00/08/343330008.db2.gz YVMLXCPBFWBSRY-MWLCHTKSSA-N 0 0 251.286 1.648 20 5 CDBDRN Cc1cnc(NC[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000596492361 343331190 /nfs/dbraw/zinc/33/11/90/343331190.db2.gz UDGRNGFGMGHLMV-VIFPVBQESA-N 0 0 264.285 1.188 20 5 CDBDRN CCc1nn(Cc2ccc(F)cc2[N+](=O)[O-])c(=O)n1CC ZINC000596304895 343292975 /nfs/dbraw/zinc/29/29/75/343292975.db2.gz PQLYCUUOOQUTHP-UHFFFAOYSA-N 0 0 294.286 1.723 20 5 CDBDRN Cc1nnc(CN(C)C(=O)c2cc([N+](=O)[O-])cn2C)s1 ZINC000596495807 343332265 /nfs/dbraw/zinc/33/22/65/343332265.db2.gz WIEDCFHATWXNQO-UHFFFAOYSA-N 0 0 295.324 1.365 20 5 CDBDRN CN(Cc1cn[nH]c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000070229343 342386886 /nfs/dbraw/zinc/38/68/86/342386886.db2.gz NJMOEBGRLHMGKZ-UHFFFAOYSA-N 0 0 290.279 1.355 20 5 CDBDRN COc1cc(NC/C=C\CO)c([N+](=O)[O-])cc1C ZINC000596425506 343311900 /nfs/dbraw/zinc/31/19/00/343311900.db2.gz ZEOBIJMAIGAOJZ-ARJAWSKDSA-N 0 0 252.270 1.872 20 5 CDBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC/C=C/CO ZINC000596421106 343316138 /nfs/dbraw/zinc/31/61/38/343316138.db2.gz GFTXOMKRGMEVLJ-ONEGZZNKSA-N 0 0 298.270 1.871 20 5 CDBDRN Cc1ccnc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1[N+](=O)[O-] ZINC000596457028 343316559 /nfs/dbraw/zinc/31/65/59/343316559.db2.gz CDISEORRLGHVOK-QWRGUYRKSA-N 0 0 290.323 1.403 20 5 CDBDRN COc1cccc(N(C)C[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC000596458070 343316826 /nfs/dbraw/zinc/31/68/26/343316826.db2.gz RNEFHSNYMLZXHV-SNVBAGLBSA-N 0 0 282.296 1.455 20 5 CDBDRN NC(=O)CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000089356812 342389917 /nfs/dbraw/zinc/38/99/17/342389917.db2.gz TXXUIBJTSBBEFB-RMKNXTFCSA-N 0 0 291.307 1.380 20 5 CDBDRN O=C1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000596461940 343317409 /nfs/dbraw/zinc/31/74/09/343317409.db2.gz YEPHZOHKDZYTPM-MNOVXSKESA-N 0 0 275.308 1.700 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC2(CCCC2=O)CC1 ZINC000596505708 343338471 /nfs/dbraw/zinc/33/84/71/343338471.db2.gz OXHCNJFKSSRBBJ-UHFFFAOYSA-N 0 0 278.312 1.668 20 5 CDBDRN Cc1nn(C)c(N2C[C@@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000596540445 343346055 /nfs/dbraw/zinc/34/60/55/343346055.db2.gz 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FVKBCBNTXLIQQD-UHFFFAOYSA-N 0 0 266.232 1.735 20 5 CDBDRN COCC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596122486 343248511 /nfs/dbraw/zinc/24/85/11/343248511.db2.gz JXEVDSOVERVGKM-UHFFFAOYSA-N 0 0 293.323 1.557 20 5 CDBDRN CCOC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596160509 343255492 /nfs/dbraw/zinc/25/54/92/343255492.db2.gz NLPVBJZYIGWQCX-QMMMGPOBSA-N 0 0 295.295 1.447 20 5 CDBDRN CC[C@H](O)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596162079 343256449 /nfs/dbraw/zinc/25/64/49/343256449.db2.gz JCKKZDCTKZVSOU-VIFPVBQESA-N 0 0 267.285 1.267 20 5 CDBDRN Nc1ccc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)nc1[N+](=O)[O-] ZINC000596166929 343257653 /nfs/dbraw/zinc/25/76/53/343257653.db2.gz ZOPHUSXDYLOBQR-ZOWXZIJZSA-N 0 0 296.330 1.992 20 5 CDBDRN C[C@@H](O)[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596170549 343258909 /nfs/dbraw/zinc/25/89/09/343258909.db2.gz UNOZSIISALGZSC-BDAKNGLRSA-N 0 0 266.301 1.169 20 5 CDBDRN NC(=O)N1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596232709 343262092 /nfs/dbraw/zinc/26/20/92/343262092.db2.gz SLTMRHIRHWPVKP-QMMMGPOBSA-N 0 0 282.275 1.546 20 5 CDBDRN CCOCCOCCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596204607 343264925 /nfs/dbraw/zinc/26/49/25/343264925.db2.gz BGLVBIKUIDIXDN-UHFFFAOYSA-N 0 0 285.300 1.185 20 5 CDBDRN CC(C)O[C@@H]1C[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1(C)C ZINC000596218262 343269484 /nfs/dbraw/zinc/26/94/84/343269484.db2.gz ITUVFVPWOOWYCK-GHMZBOCLSA-N 0 0 294.355 1.998 20 5 CDBDRN NC(=O)c1cc(N2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000596220240 343270122 /nfs/dbraw/zinc/27/01/22/343270122.db2.gz MJAUGCDNHHTDRE-QMMMGPOBSA-N 0 0 267.260 1.632 20 5 CDBDRN Cc1cc(N2CC[C@](F)(CO)C2)c([N+](=O)[O-])s1 ZINC000596226599 343272201 /nfs/dbraw/zinc/27/22/01/343272201.db2.gz KHTSAOPUMMDDSB-SNVBAGLBSA-N 0 0 260.290 1.875 20 5 CDBDRN CO[C@@H]([C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596259267 343277407 /nfs/dbraw/zinc/27/74/07/343277407.db2.gz WIOSDGJWGBFGRP-OQPBUACISA-N 0 0 293.323 1.919 20 5 CDBDRN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])c(CO)c2)C1=O ZINC000596271892 343279084 /nfs/dbraw/zinc/27/90/84/343279084.db2.gz KKITUZILCYWMTC-LBPRGKRZSA-N 0 0 280.280 1.087 20 5 CDBDRN COc1cc(NC[C@@H]2CCCNC2=O)c([N+](=O)[O-])cc1C ZINC000596268909 343280795 /nfs/dbraw/zinc/28/07/95/343280795.db2.gz NICCDSKLLGUCHS-JTQLQIEISA-N 0 0 293.323 1.850 20 5 CDBDRN CNC(=O)c1ccc(N[C@@H](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000596438264 343321786 /nfs/dbraw/zinc/32/17/86/343321786.db2.gz RBQPQUQNQOMMEN-VIFPVBQESA-N 0 0 293.323 1.527 20 5 CDBDRN C[C@@H](O)[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000596486653 343328929 /nfs/dbraw/zinc/32/89/29/343328929.db2.gz BTHIPVNYTJWMLQ-VXNVDRBHSA-N 0 0 271.704 1.993 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1nccn1C ZINC000596486919 343329011 /nfs/dbraw/zinc/32/90/11/343329011.db2.gz BQGRIAQKLFQTGO-QMMMGPOBSA-N 0 0 277.284 1.158 20 5 CDBDRN C[C@@H](O)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000596489897 343330154 /nfs/dbraw/zinc/33/01/54/343330154.db2.gz VZQIEDQINAOULR-HTQZYQBOSA-N 0 0 269.276 1.666 20 5 CDBDRN CN1C[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000596491543 343330659 /nfs/dbraw/zinc/33/06/59/343330659.db2.gz PWMQRBBSQZAEMJ-SSDOTTSWSA-N 0 0 284.703 1.533 20 5 CDBDRN O=C1CC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)N1 ZINC000596495404 343332032 /nfs/dbraw/zinc/33/20/32/343332032.db2.gz AUOFPAVXSJOXDJ-JTQLQIEISA-N 0 0 290.323 1.559 20 5 CDBDRN COCCCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596279559 343297046 /nfs/dbraw/zinc/29/70/46/343297046.db2.gz YRIUYTHNIKUFHO-UHFFFAOYSA-N 0 0 281.312 1.557 20 5 CDBDRN CN(CC(=O)N1CCCC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000596524473 343334402 /nfs/dbraw/zinc/33/44/02/343334402.db2.gz BJVLNUMBNKUFTE-UHFFFAOYSA-N 0 0 296.302 1.375 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000596374280 343307178 /nfs/dbraw/zinc/30/71/78/343307178.db2.gz MXBRJWLPZPFCGL-BLBZPCKPSA-N 0 0 286.357 1.430 20 5 CDBDRN COC1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCC1 ZINC000342939388 362169392 /nfs/dbraw/zinc/16/93/92/362169392.db2.gz ZNHRWOATVSRZNV-UHFFFAOYSA-N 0 0 279.296 1.675 20 5 CDBDRN C[C@@H]1C[C@@H](O)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000401892413 343364123 /nfs/dbraw/zinc/36/41/23/343364123.db2.gz HWECDBUJQFGRCP-VXNVDRBHSA-N 0 0 271.704 1.850 20 5 CDBDRN COC(=O)Cc1ccc(N[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000596557137 343342420 /nfs/dbraw/zinc/34/24/20/343342420.db2.gz XBUQIRWAWXDFOY-MGCOHNPYSA-N 0 0 280.280 1.246 20 5 CDBDRN Cc1cc(N2C[C@H](C)[C@](C)(CO)C2)ncc1[N+](=O)[O-] ZINC000596543685 343347029 /nfs/dbraw/zinc/34/70/29/343347029.db2.gz QDNNCUZRTKMWLF-GWCFXTLKSA-N 0 0 265.313 1.753 20 5 CDBDRN O=[N+]([O-])c1cnn(-c2ccc3nnc(C(F)F)n3n2)c1 ZINC000092585260 342418021 /nfs/dbraw/zinc/41/80/21/342418021.db2.gz QLNHJQPVWPIGQW-UHFFFAOYSA-N 0 0 281.182 1.156 20 5 CDBDRN CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000137340837 342429584 /nfs/dbraw/zinc/42/95/84/342429584.db2.gz VJWOSQXOBFXTRW-UHFFFAOYSA-N 0 0 267.260 1.402 20 5 CDBDRN CCc1nn(C)c(NC[C@@H](O)C2CCOCC2)c1[N+](=O)[O-] ZINC000094162880 342430269 /nfs/dbraw/zinc/43/02/69/342430269.db2.gz OFOFNJLGTAJXOL-LLVKDONJSA-N 0 0 298.343 1.090 20 5 CDBDRN C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092344462 342415516 /nfs/dbraw/zinc/41/55/16/342415516.db2.gz NSAFETUDECYGEQ-CABZTGNLSA-N 0 0 264.281 1.636 20 5 CDBDRN CO[C@@H]1[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cn2)C1(C)C ZINC000273915036 192361076 /nfs/dbraw/zinc/36/10/76/192361076.db2.gz JCWPUAVIGQUVAS-UJNFCWOMSA-N 0 0 266.301 1.856 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1([C@@H](C)O)CC1 ZINC000596845011 343402389 /nfs/dbraw/zinc/40/23/89/343402389.db2.gz RXTAWGCGGVMUKC-MRVPVSSYSA-N 0 0 295.295 1.638 20 5 CDBDRN Cc1cc(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH]n1C ZINC000342955698 362194037 /nfs/dbraw/zinc/19/40/37/362194037.db2.gz UQRVCVQTSVBXIV-UHFFFAOYSA-N 0 0 299.290 1.792 20 5 CDBDRN O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])o1 ZINC000619581176 349810254 /nfs/dbraw/zinc/81/02/54/349810254.db2.gz WXXLTWDCIRXPPN-ZJUUUORDSA-N 0 0 273.248 1.869 20 5 CDBDRN Cn1cc([C@@H](CO)Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000270270503 190636114 /nfs/dbraw/zinc/63/61/14/190636114.db2.gz WCTKBHNYELMHOB-SECBINFHSA-N 0 0 297.702 1.522 20 5 CDBDRN C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000597204691 343473135 /nfs/dbraw/zinc/47/31/35/343473135.db2.gz DEZYUHXLTICXQN-YVZNUBBCSA-N 0 0 292.335 1.955 20 5 CDBDRN CO[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000597538450 343569447 /nfs/dbraw/zinc/56/94/47/343569447.db2.gz CNVJYBOHRFOMCH-GFCCVEGCSA-N 0 0 280.280 1.348 20 5 CDBDRN CN(C)C(=O)O[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000295025034 199306807 /nfs/dbraw/zinc/30/68/07/199306807.db2.gz UYUAISGVPDAZFK-ZETCQYMHSA-N 0 0 286.313 1.328 20 5 CDBDRN Cc1cc(OCC(=O)N2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000597620655 343579363 /nfs/dbraw/zinc/57/93/63/343579363.db2.gz TXISIIPVZXNRGV-UHFFFAOYSA-N 0 0 294.307 1.877 20 5 CDBDRN CNC(=O)NCCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597667886 343600944 /nfs/dbraw/zinc/60/09/44/343600944.db2.gz UYNXPIBMNMJSTL-UHFFFAOYSA-N 0 0 294.311 1.469 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000597669570 343601503 /nfs/dbraw/zinc/60/15/03/343601503.db2.gz UNSUFOGCPUNBFB-JTQLQIEISA-N 0 0 291.307 1.819 20 5 CDBDRN C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597700621 343603416 /nfs/dbraw/zinc/60/34/16/343603416.db2.gz OSVRYWDUZDIEGK-TVQRCGJNSA-N 0 0 293.323 1.465 20 5 CDBDRN Cc1nsc(C)c1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000295040652 199315399 /nfs/dbraw/zinc/31/53/99/199315399.db2.gz YHFPNFMLVFTOCP-UHFFFAOYSA-N 0 0 296.308 1.608 20 5 CDBDRN CSc1cccc(C(=O)N2CCOCCN2)c1[N+](=O)[O-] ZINC000597706726 343605252 /nfs/dbraw/zinc/60/52/52/343605252.db2.gz YUWHIMTWXPZNLY-UHFFFAOYSA-N 0 0 297.336 1.294 20 5 CDBDRN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1(CO)CC1 ZINC000598038379 343702316 /nfs/dbraw/zinc/70/23/16/343702316.db2.gz CEMSHYXFAKRNDQ-ZETCQYMHSA-N 0 0 297.286 1.207 20 5 CDBDRN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1CCO ZINC000598067113 343715814 /nfs/dbraw/zinc/71/58/14/343715814.db2.gz IAEJBKJSGGTKRS-PWSUYJOCSA-N 0 0 295.339 1.556 20 5 CDBDRN CCC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290537693 197742790 /nfs/dbraw/zinc/74/27/90/197742790.db2.gz DWGBHNRERGUNMF-UHFFFAOYSA-N 0 0 264.285 1.691 20 5 CDBDRN C[C@H](O)[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598235188 343745110 /nfs/dbraw/zinc/74/51/10/343745110.db2.gz DATFEJUBTFTRRN-WDEREUQCSA-N 0 0 294.307 1.345 20 5 CDBDRN CNC(=O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000154348307 529839532 /nfs/dbraw/zinc/83/95/32/529839532.db2.gz GEYWYPOVTBPFDG-UHFFFAOYSA-N 0 0 293.323 1.405 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](CO)CC1CC1 ZINC000598293351 343757266 /nfs/dbraw/zinc/75/72/66/343757266.db2.gz DAFZQXWEIXYSMJ-ZDUSSCGKSA-N 0 0 292.335 1.662 20 5 CDBDRN Cc1c(C(=O)NC2([C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000598385490 343782641 /nfs/dbraw/zinc/78/26/41/343782641.db2.gz JUUDRFSCAKHVGB-SECBINFHSA-N 0 0 264.281 1.546 20 5 CDBDRN COC(=O)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598522470 343817025 /nfs/dbraw/zinc/81/70/25/343817025.db2.gz JBKNGGLSYWLMDM-XYPYZODXSA-N 0 0 292.291 1.585 20 5 CDBDRN Cc1cnc(N2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598634531 343850244 /nfs/dbraw/zinc/85/02/44/343850244.db2.gz GXNQAJAYBBVOQM-MNOVXSKESA-N 0 0 265.313 1.753 20 5 CDBDRN C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1CO ZINC000598637893 343863910 /nfs/dbraw/zinc/86/39/10/343863910.db2.gz LRTSCQREXHBDPW-IUCAKERBSA-N 0 0 296.352 1.759 20 5 CDBDRN CC1(c2ccccc2)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000598780657 343904941 /nfs/dbraw/zinc/90/49/41/343904941.db2.gz KBOQICVVQZBOLW-UHFFFAOYSA-N 0 0 286.291 1.732 20 5 CDBDRN Cc1ccc(C(=O)N2Cc3cnn(C)c3C2)cc1[N+](=O)[O-] ZINC000598933155 343927731 /nfs/dbraw/zinc/92/77/31/343927731.db2.gz OIZXJGCNMCJVCU-UHFFFAOYSA-N 0 0 286.291 1.793 20 5 CDBDRN CC(C)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000599136839 343958911 /nfs/dbraw/zinc/95/89/11/343958911.db2.gz AJCINQIKMHXYQD-NSHDSACASA-N 0 0 295.339 1.903 20 5 CDBDRN CCOC[C@H]1CN(c2ncccc2[N+](=O)[O-])CCO1 ZINC000599157699 343969667 /nfs/dbraw/zinc/96/96/67/343969667.db2.gz CLAIHVBEYYXJHZ-SNVBAGLBSA-N 0 0 267.285 1.232 20 5 CDBDRN CC(=O)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000601610290 344201892 /nfs/dbraw/zinc/20/18/92/344201892.db2.gz ZYQGBYXNMRASIT-UHFFFAOYSA-N 0 0 282.300 1.007 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCSc1ncco1 ZINC000601913644 344279656 /nfs/dbraw/zinc/27/96/56/344279656.db2.gz QRPWDKSXSJIFRE-UHFFFAOYSA-N 0 0 254.271 1.880 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000601972172 344300412 /nfs/dbraw/zinc/30/04/12/344300412.db2.gz JCHBSTMFYOYGTG-PHIMTYICSA-N 0 0 276.292 1.622 20 5 CDBDRN COc1ccc(CNC(=O)N2CC=CC2)cc1[N+](=O)[O-] ZINC000602241086 344379084 /nfs/dbraw/zinc/37/90/84/344379084.db2.gz ZPDUZCHFKOXQHG-UHFFFAOYSA-N 0 0 277.280 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COC(=O)[C@H](C)CN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000306104874 350147666 /nfs/dbraw/zinc/14/76/66/350147666.db2.gz RQHIIGUOARQHTD-SSDOTTSWSA-N 0 0 287.703 1.889 20 5 CDBDRN Cc1ccc([C@H](C)NCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000090969321 180077032 /nfs/dbraw/zinc/07/70/32/180077032.db2.gz AYEYCMDMWXBTSF-JTQLQIEISA-N 0 0 275.312 1.883 20 5 CDBDRN Cc1c([C@@H](C)NCc2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000090969436 180077233 /nfs/dbraw/zinc/07/72/33/180077233.db2.gz FKCQKFTXWBKNNL-SNVBAGLBSA-N 0 0 275.312 1.883 20 5 CDBDRN CN(CC1CC(O)C1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000091460745 180161611 /nfs/dbraw/zinc/16/16/11/180161611.db2.gz BMUYMLIVSQWKKZ-VOTSOKGWSA-N 0 0 290.319 1.837 20 5 CDBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(CO)C2)c1 ZINC000091478677 180166242 /nfs/dbraw/zinc/16/62/42/180166242.db2.gz NGFHYJVNPPTERV-UHFFFAOYSA-N 0 0 282.321 1.381 20 5 CDBDRN C[C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000271314902 191069356 /nfs/dbraw/zinc/06/93/56/191069356.db2.gz 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CC(=O)c1cncc(C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000893156974 617416436 /nfs/dbraw/zinc/41/64/36/617416436.db2.gz IHMBLCXSPTXXHB-UHFFFAOYSA-N 0 0 266.253 1.496 20 5 CDBDRN CC(C)(COC(=O)c1cnc(C2CC2)o1)[N+](=O)[O-] ZINC000893156698 617416468 /nfs/dbraw/zinc/41/64/68/617416468.db2.gz GMYYKVSRJFJULC-UHFFFAOYSA-N 0 0 254.242 1.764 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)C1CC(C)(C)C1 ZINC000891344977 617441408 /nfs/dbraw/zinc/44/14/08/617441408.db2.gz GHSKNXMDUFAYNA-UHFFFAOYSA-N 0 0 252.274 1.703 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCCCOC[C@@H]1CCCO1 ZINC000891598092 617498390 /nfs/dbraw/zinc/49/83/90/617498390.db2.gz NLCLOWQARVVTDN-JTQLQIEISA-N 0 0 284.316 1.326 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCC1([S@](C)=O)CCC1 ZINC000893665751 617815504 /nfs/dbraw/zinc/81/55/04/617815504.db2.gz NSDBLFWGLYPREX-SFHVURJKSA-N 0 0 272.330 1.041 20 5 CDBDRN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]2CO)c1 ZINC000934024475 617845611 /nfs/dbraw/zinc/84/56/11/617845611.db2.gz SDTPUOAYBSIFCM-JTQLQIEISA-N 0 0 256.689 1.815 20 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Cc1cccc(C(=O)OC[C@@H]2CCCNC2=O)c1[N+](=O)[O-] ZINC000835995391 618667855 /nfs/dbraw/zinc/66/78/55/618667855.db2.gz MCLKYWXABMGNLI-JTQLQIEISA-N 0 0 292.291 1.586 20 5 CDBDRN O=C(N[C@]12C[C@H]1COC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000894183415 618668904 /nfs/dbraw/zinc/66/89/04/618668904.db2.gz RFNKOWKGUQZQKP-CABZTGNLSA-N 0 0 298.245 1.592 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N[C@H](CO)CCF ZINC000894401266 618859871 /nfs/dbraw/zinc/85/98/71/618859871.db2.gz AOVHDVWEEDTTGS-ZETCQYMHSA-N 0 0 259.237 1.131 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894417018 618876186 /nfs/dbraw/zinc/87/61/86/618876186.db2.gz WNAROBJOQYVUEV-LLVKDONJSA-N 0 0 293.323 1.622 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CC(Nc2ccc(F)cc2)C1 ZINC000894458325 618896083 /nfs/dbraw/zinc/89/60/83/618896083.db2.gz POZCXFHOTMHUNU-UHFFFAOYSA-N 0 0 291.286 1.768 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC000895062416 619249537 /nfs/dbraw/zinc/24/95/37/619249537.db2.gz FBAVTRNTTXENNH-SNVBAGLBSA-N 0 0 295.339 1.986 20 5 CDBDRN Cc1cc(N(C)Cc2ncccn2)ncc1[N+](=O)[O-] ZINC000895063723 619249649 /nfs/dbraw/zinc/24/96/49/619249649.db2.gz XOEMJELEWBXHNC-UHFFFAOYSA-N 0 0 259.269 1.725 20 5 CDBDRN Cc1nn(C)c(N2CCC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000882800478 619523831 /nfs/dbraw/zinc/52/38/31/619523831.db2.gz AARCNNKTPSACGU-VIFPVBQESA-N 0 0 256.281 1.823 20 5 CDBDRN O=C1OCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895812617 619857250 /nfs/dbraw/zinc/85/72/50/619857250.db2.gz TWOYYJQQFQFERX-VIFPVBQESA-N 0 0 270.672 1.653 20 5 CDBDRN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCC(=O)N(C)C1 ZINC000895952986 619919850 /nfs/dbraw/zinc/91/98/50/619919850.db2.gz CSWNFGMUNWMQKL-SNVBAGLBSA-N 0 0 264.285 1.047 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(C)C2)c1C ZINC000896049999 619958658 /nfs/dbraw/zinc/95/86/58/619958658.db2.gz GQYQJODGMYKPBU-SNVBAGLBSA-N 0 0 291.307 1.172 20 5 CDBDRN O=[N+]([O-])c1sccc1NCCO[C@H]1CCOC1 ZINC000896473531 620101318 /nfs/dbraw/zinc/10/13/18/620101318.db2.gz OBUURUYRJPVUCC-QMMMGPOBSA-N 0 0 258.299 1.874 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCO[C@@H]2CCOC2)n1 ZINC000896476730 620111724 /nfs/dbraw/zinc/11/17/24/620111724.db2.gz BCNGFDHQKFNIBO-SNVBAGLBSA-N 0 0 267.285 1.516 20 5 CDBDRN Cc1nn(C)c(NCC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000896816003 620239416 /nfs/dbraw/zinc/23/94/16/620239416.db2.gz MPVYLFHEQACANQ-QWRGUYRKSA-N 0 0 282.344 1.990 20 5 CDBDRN CCN(CCC(=O)NC)c1ccc([N+](=O)[O-])cc1F ZINC000896977483 620329332 /nfs/dbraw/zinc/32/93/32/620329332.db2.gz ISWPVVDCYBKSPY-UHFFFAOYSA-N 0 0 269.276 1.696 20 5 CDBDRN CCN(CCC(=O)NC)c1cc([N+](=O)[O-])ccc1C(C)=O ZINC000896979045 620330289 /nfs/dbraw/zinc/33/02/89/620330289.db2.gz BZMSTHDLTXGTBM-UHFFFAOYSA-N 0 0 293.323 1.760 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C1OCCO1 ZINC000897006342 620340768 /nfs/dbraw/zinc/34/07/68/620340768.db2.gz YZVALSMVEQZRCV-JTQLQIEISA-N 0 0 296.327 1.461 20 5 CDBDRN Cc1cc(N2CCC[C@H]2C2OCCO2)ncc1[N+](=O)[O-] 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Nc1nccc(C(=O)N2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000594357330 342889496 /nfs/dbraw/zinc/88/94/96/342889496.db2.gz IPANIWYNWGZRRR-IONNQARKSA-N 0 0 262.269 1.027 20 5 CDBDRN CNc1nccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000594344745 342891515 /nfs/dbraw/zinc/89/15/15/342891515.db2.gz LFPNIWXNBIDYNH-KOLCDFICSA-N 0 0 290.323 1.468 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nc(CCC(F)(F)F)no2)[nH]n1 ZINC000600672200 342241004 /nfs/dbraw/zinc/24/10/04/342241004.db2.gz BGUJNHCLRVLGLV-UHFFFAOYSA-N 0 0 277.162 1.863 20 5 CDBDRN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000600706269 342243161 /nfs/dbraw/zinc/24/31/61/342243161.db2.gz DKIYWJNMLMWXQI-ZDUSSCGKSA-N 0 0 293.323 1.847 20 5 CDBDRN CC(C)[C@@H]1C(=O)NCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000092939898 342234960 /nfs/dbraw/zinc/23/49/60/342234960.db2.gz PKCKPFMRISMXJY-SNVBAGLBSA-N 0 0 298.730 1.604 20 5 CDBDRN CC(C)Oc1nc(N[C@@H](CO)CCF)ccc1[N+](=O)[O-] ZINC000594587157 342921919 /nfs/dbraw/zinc/92/19/19/342921919.db2.gz 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ZINC000174126645 529605780 /nfs/dbraw/zinc/60/57/80/529605780.db2.gz MNBZNFCEQJNLEA-UHFFFAOYSA-N 0 0 288.307 1.821 20 5 CDBDRN Cc1nn(C)c(N2CCC(F)(F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000403899767 349761266 /nfs/dbraw/zinc/76/12/66/349761266.db2.gz RSAAENBCSCOINU-QMMMGPOBSA-N 0 0 290.270 1.091 20 5 CDBDRN CO[C@H](CNc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000075063280 342307553 /nfs/dbraw/zinc/30/75/53/342307553.db2.gz ZTXGIKXEEXABNW-MRVPVSSYSA-N 0 0 256.306 1.801 20 5 CDBDRN Cc1noc(CN2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595287077 343023779 /nfs/dbraw/zinc/02/37/79/343023779.db2.gz KVHRNIJCUVLZCY-SFYZADRCSA-N 0 0 255.274 1.500 20 5 CDBDRN Cc1ccc(OCCCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000126158238 187220535 /nfs/dbraw/zinc/22/05/35/187220535.db2.gz XWLJICGTTLNLLG-UHFFFAOYSA-N 0 0 273.310 1.717 20 5 CDBDRN CNc1ccc(C(=O)NCc2cccn2C)cc1[N+](=O)[O-] ZINC000075353018 342308907 /nfs/dbraw/zinc/30/89/07/342308907.db2.gz GIGXHPQVTONTNJ-UHFFFAOYSA-N 0 0 288.307 1.905 20 5 CDBDRN Cc1noc(CN2CCSC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595345203 343044246 /nfs/dbraw/zinc/04/42/46/343044246.db2.gz QPOQBUDUEWJNLT-SECBINFHSA-N 0 0 287.341 1.191 20 5 CDBDRN COC[C@@H]1CCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595342983 343043789 /nfs/dbraw/zinc/04/37/89/343043789.db2.gz SZQIXDSGTJIFJE-VIFPVBQESA-N 0 0 255.274 1.502 20 5 CDBDRN Cc1noc(CN2CCSC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595345204 343043916 /nfs/dbraw/zinc/04/39/16/343043916.db2.gz QPOQBUDUEWJNLT-VIFPVBQESA-N 0 0 287.341 1.191 20 5 CDBDRN Cc1noc(CN2CCC(O)(C(F)F)CC2)c1[N+](=O)[O-] ZINC000595444754 343063503 /nfs/dbraw/zinc/06/35/03/343063503.db2.gz DKZNVLCOHBUXTK-UHFFFAOYSA-N 0 0 291.254 1.483 20 5 CDBDRN CC(C)CN1CC(=O)N[C@H]1c1csc([N+](=O)[O-])c1 ZINC000077474815 342329025 /nfs/dbraw/zinc/32/90/25/342329025.db2.gz MXALGQWLKYQWGR-LLVKDONJSA-N 0 0 269.326 1.743 20 5 CDBDRN CN(CC1CC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000077306839 342327679 /nfs/dbraw/zinc/32/76/79/342327679.db2.gz CMPKWOPWHIWUFN-UHFFFAOYSA-N 0 0 285.325 1.088 20 5 CDBDRN Cc1ccnc(NC[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000077995719 342333013 /nfs/dbraw/zinc/33/30/13/342333013.db2.gz OECSKLKPFMOBJQ-NSHDSACASA-N 0 0 294.355 1.678 20 5 CDBDRN C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000078306672 342335505 /nfs/dbraw/zinc/33/55/05/342335505.db2.gz SOKKXPCJEYJRGL-MRVPVSSYSA-N 0 0 289.295 1.600 20 5 CDBDRN COC[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000078342608 342335912 /nfs/dbraw/zinc/33/59/12/342335912.db2.gz JCZVAPZQYQTHPJ-MRVPVSSYSA-N 0 0 298.324 1.156 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1Oc1ccc(-n2cncn2)cc1 ZINC000077981845 342332567 /nfs/dbraw/zinc/33/25/67/342332567.db2.gz SSYNQFLUHSJWES-UHFFFAOYSA-N 0 0 286.251 1.701 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN(C)Cc1nnc(C)o1 ZINC000595705880 343127664 /nfs/dbraw/zinc/12/76/64/343127664.db2.gz YROJRENGVLKDBG-UHFFFAOYSA-N 0 0 292.295 1.927 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595845360 343162212 /nfs/dbraw/zinc/16/22/12/343162212.db2.gz MIRXAZZAEFTQJH-OCCSQVGLSA-N 0 0 293.323 1.914 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](O)COC ZINC000080643380 342358172 /nfs/dbraw/zinc/35/81/72/342358172.db2.gz WJULZOMHIUNLSS-LLVKDONJSA-N 0 0 270.285 1.160 20 5 CDBDRN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000267805945 362125680 /nfs/dbraw/zinc/12/56/80/362125680.db2.gz ZEWPJVKBQPSRPY-LLVKDONJSA-N 0 0 278.264 1.276 20 5 CDBDRN Cc1cnc(CNC(=O)CNc2ccccc2[N+](=O)[O-])o1 ZINC000080954215 342362187 /nfs/dbraw/zinc/36/21/87/342362187.db2.gz JOIJEYZCTPXVEU-UHFFFAOYSA-N 0 0 290.279 1.620 20 5 CDBDRN CNC(=O)c1cccc(Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC000072624959 349801981 /nfs/dbraw/zinc/80/19/81/349801981.db2.gz UUDFDTYBPJPKTN-UHFFFAOYSA-N 0 0 274.280 1.508 20 5 CDBDRN O=c1[nH]ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596119108 343232452 /nfs/dbraw/zinc/23/24/52/343232452.db2.gz JNUYZYAIHHQABW-SNVBAGLBSA-N 0 0 278.312 1.592 20 5 CDBDRN CCOC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596089428 343233780 /nfs/dbraw/zinc/23/37/80/343233780.db2.gz YWIYDIGGCYGPQR-UHFFFAOYSA-N 0 0 267.285 1.701 20 5 CDBDRN C[C@@](O)(CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596126464 343237207 /nfs/dbraw/zinc/23/72/07/343237207.db2.gz TYINMPOUCSJVNH-LLVKDONJSA-N 0 0 253.258 1.268 20 5 CDBDRN Cc1cc(N2CCC[C@H](OCCO)C2)c([N+](=O)[O-])s1 ZINC000596129644 343238054 /nfs/dbraw/zinc/23/80/54/343238054.db2.gz VOQIOCMWGCXHCE-JTQLQIEISA-N 0 0 286.353 1.942 20 5 CDBDRN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCCO1 ZINC000596130962 343238411 /nfs/dbraw/zinc/23/84/11/343238411.db2.gz IRAAXBJWOAZIPJ-UHFFFAOYSA-N 0 0 293.323 1.699 20 5 CDBDRN C[C@@H]1CSCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596133085 343238978 /nfs/dbraw/zinc/23/89/78/343238978.db2.gz DDWYOJNBNBIUAU-MRVPVSSYSA-N 0 0 281.337 1.635 20 5 CDBDRN CSC[C@H](CCO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596145862 343243282 /nfs/dbraw/zinc/24/32/82/343243282.db2.gz PGMDKRJSPPAGSV-VIFPVBQESA-N 0 0 299.352 1.220 20 5 CDBDRN CCC[C@H](CCO)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596145703 343243347 /nfs/dbraw/zinc/24/33/47/343243347.db2.gz XAXUYWDEUGOVOP-SECBINFHSA-N 0 0 269.301 1.906 20 5 CDBDRN CCO[C@@H]1C[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C12CCC2 ZINC000596146470 343243817 /nfs/dbraw/zinc/24/38/17/343243817.db2.gz NNRAXJAGXAJBTI-WDEREUQCSA-N 0 0 292.339 1.754 20 5 CDBDRN CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596151052 343245199 /nfs/dbraw/zinc/24/51/99/343245199.db2.gz ISMBRGRKTDXCEX-GWCFXTLKSA-N 0 0 294.355 1.857 20 5 CDBDRN O=c1[nH]ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000596156201 343247712 /nfs/dbraw/zinc/24/77/12/343247712.db2.gz GWCJOICCGRFZEY-GHMZBOCLSA-N 0 0 295.295 1.080 20 5 CDBDRN CC[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)OC ZINC000596236263 343282731 /nfs/dbraw/zinc/28/27/31/343282731.db2.gz LISYGOZOZYHXNA-SECBINFHSA-N 0 0 267.285 1.531 20 5 CDBDRN COc1ccc(OCCc2cncn2C)c([N+](=O)[O-])c1 ZINC000596239446 343283786 /nfs/dbraw/zinc/28/37/86/343283786.db2.gz HYVCAWWKXCTNRD-UHFFFAOYSA-N 0 0 277.280 1.958 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nccn(C)c2=O)c1 ZINC000085735437 342382105 /nfs/dbraw/zinc/38/21/05/342382105.db2.gz UQIKDUYCDGKKOQ-UHFFFAOYSA-N 0 0 288.263 1.249 20 5 CDBDRN Cc1cc(NC[C@H]2CCCS2(=O)=O)c([N+](=O)[O-])s1 ZINC000596170174 343258662 /nfs/dbraw/zinc/25/86/62/343258662.db2.gz XNKROMXNJPBXMN-MRVPVSSYSA-N 0 0 290.366 1.954 20 5 CDBDRN CNC(=O)CCSc1c(Cl)cncc1[N+](=O)[O-] ZINC000596291274 343289775 /nfs/dbraw/zinc/28/97/75/343289775.db2.gz AWHOOGXURSLLLL-UHFFFAOYSA-N 0 0 275.717 1.871 20 5 CDBDRN CNC(=O)[C@@]1(C)CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596216615 343268818 /nfs/dbraw/zinc/26/88/18/343268818.db2.gz OHFJGGRNANMURN-LBPRGKRZSA-N 0 0 283.353 1.927 20 5 CDBDRN C[C@@H]1COCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596229139 343272974 /nfs/dbraw/zinc/27/29/74/343272974.db2.gz CJMGYDKLYBEHLB-RKDXNWHRSA-N 0 0 266.301 1.078 20 5 CDBDRN Cc1csc(NCCNc2cccnc2[N+](=O)[O-])n1 ZINC000596266868 343280448 /nfs/dbraw/zinc/28/04/48/343280448.db2.gz WYQYDCWHKAJLCD-UHFFFAOYSA-N 0 0 279.325 1.701 20 5 CDBDRN C[C@@H](O)C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000596485152 343328697 /nfs/dbraw/zinc/32/86/97/343328697.db2.gz ULRRDIFBIIUIOX-MRVPVSSYSA-N 0 0 265.269 1.630 20 5 CDBDRN COC(=O)c1cc(C)nc(NC2([C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000596523141 343334175 /nfs/dbraw/zinc/33/41/75/343334175.db2.gz GFCWGJNZJSXSQJ-QMMMGPOBSA-N 0 0 295.295 1.410 20 5 CDBDRN CN1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)CC1=O ZINC000596490655 343330402 /nfs/dbraw/zinc/33/04/02/343330402.db2.gz LTKYDYLDRGYSPS-SSDOTTSWSA-N 0 0 284.703 1.533 20 5 CDBDRN O=[N+]([O-])c1cnc(N(CCOCCO)C2CCC2)s1 ZINC000596313844 343300592 /nfs/dbraw/zinc/30/05/92/343300592.db2.gz WBKVIBHGRMWIEZ-UHFFFAOYSA-N 0 0 287.341 1.419 20 5 CDBDRN NC(=O)c1ccnc(N[C@]23C[C@H]2CCC3)c1[N+](=O)[O-] ZINC000596316854 343301195 /nfs/dbraw/zinc/30/11/95/343301195.db2.gz NCUAHRGXXBZKOJ-JMCQJSRRSA-N 0 0 262.269 1.443 20 5 CDBDRN C[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596369590 343306442 /nfs/dbraw/zinc/30/64/42/343306442.db2.gz AVKHXROXJPIIDD-WDKLKTEZSA-N 0 0 298.368 1.096 20 5 CDBDRN CN(CCOCC1CC1)c1ncccc1[N+](=O)[O-] ZINC000088761799 342387278 /nfs/dbraw/zinc/38/72/78/342387278.db2.gz NBMBUEGADNSWGM-UHFFFAOYSA-N 0 0 251.286 1.853 20 5 CDBDRN CCOc1cc(NC/C=C/CO)ccc1[N+](=O)[O-] ZINC000596421641 343311006 /nfs/dbraw/zinc/31/10/06/343311006.db2.gz MKJBNBIRHQVVCH-ONEGZZNKSA-N 0 0 252.270 1.954 20 5 CDBDRN COC(=O)Cc1ccc(NC/C=C/CO)c([N+](=O)[O-])c1 ZINC000596422147 343311012 /nfs/dbraw/zinc/31/10/12/343311012.db2.gz AYRMDLOZCRDXAZ-NSCUHMNNSA-N 0 0 280.280 1.271 20 5 CDBDRN O=C1CC[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000596459468 343317260 /nfs/dbraw/zinc/31/72/60/343317260.db2.gz MDCCZCSMVSMEDY-ONGXEEELSA-N 0 0 293.298 1.839 20 5 CDBDRN O=C1CC[C@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000596461941 343317555 /nfs/dbraw/zinc/31/75/55/343317555.db2.gz YEPHZOHKDZYTPM-QWRGUYRKSA-N 0 0 275.308 1.700 20 5 CDBDRN C[C@H]1C[C@H](O)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000401892410 343363967 /nfs/dbraw/zinc/36/39/67/343363967.db2.gz HWECDBUJQFGRCP-CBAPKCEASA-N 0 0 271.704 1.850 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCC3(C2)OCCO3)cc1 ZINC000091483112 342404526 /nfs/dbraw/zinc/40/45/26/342404526.db2.gz SCQZDIUARGRFRM-UHFFFAOYSA-N 0 0 250.254 1.548 20 5 CDBDRN Cc1nnc(CN(C)c2ccc([N+](=O)[O-])cn2)s1 ZINC000596556057 343342237 /nfs/dbraw/zinc/34/22/37/343342237.db2.gz IHEDMKXBRQRRCB-UHFFFAOYSA-N 0 0 265.298 1.786 20 5 CDBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000596544440 343347113 /nfs/dbraw/zinc/34/71/13/343347113.db2.gz OJRTUANRPYLZRU-UFBFGSQYSA-N 0 0 269.276 1.584 20 5 CDBDRN NC(=O)c1cccc([N+](=O)[O-])c1NCCOCCF ZINC000596571244 343353005 /nfs/dbraw/zinc/35/30/05/343353005.db2.gz RFRQMJRGQOIISJ-UHFFFAOYSA-N 0 0 271.248 1.092 20 5 CDBDRN COc1ccccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000166560614 342437288 /nfs/dbraw/zinc/43/72/88/342437288.db2.gz JNDBKIGSBJLEGN-UHFFFAOYSA-N 0 0 290.279 1.230 20 5 CDBDRN COCCCOCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596972377 343422624 /nfs/dbraw/zinc/42/26/24/343422624.db2.gz XRIGNPDPLZBNTF-UHFFFAOYSA-N 0 0 296.323 1.654 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC/C=C/CO ZINC000596841930 343401768 /nfs/dbraw/zinc/40/17/68/343401768.db2.gz JVJSXIWIJMCRFV-NSCUHMNNSA-N 0 0 265.269 1.573 20 5 CDBDRN Cc1nsc(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000295014062 199299915 /nfs/dbraw/zinc/29/99/15/199299915.db2.gz QBECHBQVUOJJKW-UHFFFAOYSA-N 0 0 258.303 1.621 20 5 CDBDRN Cc1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000849232070 781922802 /nfs/dbraw/zinc/92/28/02/781922802.db2.gz ORRKHEIVEOPCBL-XYPYZODXSA-N 0 0 264.281 1.856 20 5 CDBDRN CSCC1(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000597983752 343680119 /nfs/dbraw/zinc/68/01/19/343680119.db2.gz YFWMCDJIJUINLF-UHFFFAOYSA-N 0 0 298.368 1.441 20 5 CDBDRN COCC1(N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000597941647 343674366 /nfs/dbraw/zinc/67/43/66/343674366.db2.gz WHUUAKOOIONURS-UHFFFAOYSA-N 0 0 296.327 1.692 20 5 CDBDRN Cc1cc(C(=O)N[C@@H](C)C2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000598039254 343702749 /nfs/dbraw/zinc/70/27/49/343702749.db2.gz LBIXEUAUWLKYLI-JTQLQIEISA-N 0 0 278.308 1.794 20 5 CDBDRN C[C@@H](C(=O)NC/C=C/CO)c1ccc([N+](=O)[O-])cc1F ZINC000597993086 343683069 /nfs/dbraw/zinc/68/30/69/343683069.db2.gz ORQXKJMTEONVKQ-GKQMSVHHSA-N 0 0 282.271 1.502 20 5 CDBDRN CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000598234447 343740586 /nfs/dbraw/zinc/74/05/86/343740586.db2.gz SCHZWTLPKCFMMN-SECBINFHSA-N 0 0 252.274 1.096 20 5 CDBDRN Cc1ccc(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1C ZINC000598143062 343727057 /nfs/dbraw/zinc/72/70/57/343727057.db2.gz FNBWDYXDVWBSQI-UHFFFAOYSA-N 0 0 288.307 1.907 20 5 CDBDRN CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598343012 343771136 /nfs/dbraw/zinc/77/11/36/343771136.db2.gz RNSGEBLYEZLPIO-JTQLQIEISA-N 0 0 293.323 1.515 20 5 CDBDRN 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270.310 1.686 20 5 CDBDRN COc1cccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000160149890 377287087 /nfs/dbraw/zinc/28/70/87/377287087.db2.gz IJOIHCCBBJFENF-UHFFFAOYSA-N 0 0 290.279 1.267 20 5 CDBDRN COCCN1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266835575 377464006 /nfs/dbraw/zinc/46/40/06/377464006.db2.gz JNIGTVQXNXOYIH-UHFFFAOYSA-N 0 0 280.328 1.067 20 5 CDBDRN CO[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000294316127 377524309 /nfs/dbraw/zinc/52/43/09/377524309.db2.gz AGHKAOSTVVSLEQ-GFCCVEGCSA-N 0 0 264.281 1.750 20 5 CDBDRN Cc1nn(C)c(C)c1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000141543232 377531429 /nfs/dbraw/zinc/53/14/29/377531429.db2.gz HLSAOFVVAVGORJ-UHFFFAOYSA-N 0 0 288.307 1.875 20 5 CDBDRN NC(=O)[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000067949037 295154034 /nfs/dbraw/zinc/15/40/34/295154034.db2.gz TZJGACXSCHIYCH-SECBINFHSA-N 0 0 253.233 1.188 20 5 CDBDRN O=C(NCc1ccoc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000053039638 377592874 /nfs/dbraw/zinc/59/28/74/377592874.db2.gz 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/nfs/dbraw/zinc/52/27/27/323522727.db2.gz LUXOKWHDOOGXME-UHFFFAOYSA-N 0 0 293.323 1.500 20 5 CDBDRN C[NH+](C)C1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCC1 ZINC000386552552 323743552 /nfs/dbraw/zinc/74/35/52/323743552.db2.gz FKCIPYUBCPNIFP-UHFFFAOYSA-N 0 0 294.311 1.584 20 5 CDBDRN CNc1ccc(C(=O)N2C[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000387990771 323780392 /nfs/dbraw/zinc/78/03/92/323780392.db2.gz VBSJUTJJTSDXKA-LBPRGKRZSA-N 0 0 293.323 1.479 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(F)F ZINC000389518012 323807819 /nfs/dbraw/zinc/80/78/19/323807819.db2.gz YEJDKUJAVJEGGY-YFKPBYRVSA-N 0 0 274.227 1.346 20 5 CDBDRN CNc1ccc(C(=O)NC[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000397873048 323866966 /nfs/dbraw/zinc/86/69/66/323866966.db2.gz IUQMVYXHMKTDPB-KOLCDFICSA-N 0 0 293.323 1.934 20 5 CDBDRN CO[C@@H](C)Cn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000578506883 323951001 /nfs/dbraw/zinc/95/10/01/323951001.db2.gz ZYCWFOCGISHRTD-VIFPVBQESA-N 0 0 262.265 1.945 20 5 CDBDRN CC(C)n1ccc(CNc2ncc([N+](=O)[O-])s2)n1 ZINC000579431593 324182487 /nfs/dbraw/zinc/18/24/87/324182487.db2.gz FHYCLKUVGKRUSR-UHFFFAOYSA-N 0 0 267.314 1.863 20 5 CDBDRN CCn1cnnc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581840661 324843341 /nfs/dbraw/zinc/84/33/41/324843341.db2.gz VNOCWFAACVUVTN-VIFPVBQESA-N 0 0 289.295 1.948 20 5 CDBDRN CC1(C)CC[C@H](Cn2cc([N+](=O)[O-])cc(F)c2=O)O1 ZINC000582241087 324937492 /nfs/dbraw/zinc/93/74/92/324937492.db2.gz BFBYAGLQHAFJIP-SECBINFHSA-N 0 0 270.260 1.853 20 5 CDBDRN CC[C@@H]1CC[C@H](C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582558600 325001350 /nfs/dbraw/zinc/00/13/50/325001350.db2.gz QWTKWEATPODRPX-JGVFFNPUSA-N 0 0 252.274 1.721 20 5 CDBDRN C[C@H](C(=O)N1CCO[C@@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC000582592657 325004214 /nfs/dbraw/zinc/00/42/14/325004214.db2.gz YVHQHWJSKOFYGV-GWCFXTLKSA-N 0 0 296.298 1.895 20 5 CDBDRN C[C@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CO1 ZINC000582901610 325066226 /nfs/dbraw/zinc/06/62/26/325066226.db2.gz RLXXHBVZUPSPJL-CMPLNLGQSA-N 0 0 293.323 1.614 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(C[C@H]2CC2(Cl)Cl)c1=O ZINC000882269629 782098498 /nfs/dbraw/zinc/09/84/98/782098498.db2.gz PWQQRFCLCKXHQW-ZCFIWIBFSA-N 0 0 293.106 1.959 20 5 CDBDRN COc1ccnc(NCc2cc(C)n(C)n2)c1[N+](=O)[O-] ZINC001167766155 1159642186 /nfs/dbraw/zinc/64/21/86/1159642186.db2.gz JDPPIVPECUYUSZ-UHFFFAOYSA-N 0 0 277.284 1.652 20 5 CDBDRN CNC(=O)[C@@]1(C)CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000281912111 482428485 /nfs/dbraw/zinc/42/84/85/482428485.db2.gz GKEJVWZVAPMQLE-ZDUSSCGKSA-N 0 0 278.312 1.261 20 5 CDBDRN CCN(CC)C(=O)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000228164020 1160804012 /nfs/dbraw/zinc/80/40/12/1160804012.db2.gz STCROXZQPWXNKL-VIFPVBQESA-N 0 0 266.301 1.659 20 5 CDBDRN O=C(CC1OCCO1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000789968796 1162118410 /nfs/dbraw/zinc/11/84/10/1162118410.db2.gz QWRRTFAZUGYRIF-UHFFFAOYSA-N 0 0 280.280 1.017 20 5 CDBDRN O=C(N[C@H]1C[C@H](CO)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000886894149 782161818 /nfs/dbraw/zinc/16/18/18/782161818.db2.gz XSQKVEQKEVSWIM-GVJMRKKJSA-N 0 0 268.244 1.235 20 5 CDBDRN CC(C)CNC(=O)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227650824 519734593 /nfs/dbraw/zinc/73/45/93/519734593.db2.gz URDCWKRNCNZBHL-UHFFFAOYSA-N 0 0 286.719 1.827 20 5 CDBDRN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000163570163 520455800 /nfs/dbraw/zinc/45/58/00/520455800.db2.gz AKYBWYMFJAQBAZ-GFCCVEGCSA-N 0 0 294.307 1.207 20 5 CDBDRN CCOC(=O)[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000049498489 521021419 /nfs/dbraw/zinc/02/14/19/521021419.db2.gz MCJJZOBACBHDDH-MRVPVSSYSA-N 0 0 266.253 1.276 20 5 CDBDRN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339210665 521291465 /nfs/dbraw/zinc/29/14/65/521291465.db2.gz PTUFYOHMMWBICZ-VIFPVBQESA-N 0 0 254.286 1.503 20 5 CDBDRN CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000161409935 521671321 /nfs/dbraw/zinc/67/13/21/521671321.db2.gz QHVDZVOTOXHFLH-UHFFFAOYSA-N 0 0 292.339 1.414 20 5 CDBDRN CCNC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C 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COCc1cnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000340823478 523152231 /nfs/dbraw/zinc/15/22/31/523152231.db2.gz UQQCXIQQQACOSA-UHFFFAOYSA-N 0 0 283.269 1.173 20 5 CDBDRN COCCCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000047017788 523159604 /nfs/dbraw/zinc/15/96/04/523159604.db2.gz VVPRENXWURMXNA-UHFFFAOYSA-N 0 0 266.297 1.680 20 5 CDBDRN COc1ccc(OC(=O)[C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000792116598 1162260710 /nfs/dbraw/zinc/26/07/10/1162260710.db2.gz NHLOMWQKIPHYHX-IUCAKERBSA-N 0 0 281.264 1.934 20 5 CDBDRN CC[C@@H]1COCCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000050769005 523496221 /nfs/dbraw/zinc/49/62/21/523496221.db2.gz IPWCJBNWANLPPQ-LLVKDONJSA-N 0 0 293.323 1.888 20 5 CDBDRN COCCN(CCOC)c1ncc([N+](=O)[O-])cc1Cl ZINC000122563881 523726512 /nfs/dbraw/zinc/72/65/12/523726512.db2.gz JOIHPEFZHVGEDP-UHFFFAOYSA-N 0 0 289.719 1.742 20 5 CDBDRN COC(=O)[C@H](C)CN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000042696716 523861277 /nfs/dbraw/zinc/86/12/77/523861277.db2.gz INIDCYIDLDQQEX-SNVBAGLBSA-N 0 0 294.307 1.405 20 5 CDBDRN COC(=O)[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151579873 523867780 /nfs/dbraw/zinc/86/77/80/523867780.db2.gz DZOVIGHCKYHKJO-MRVPVSSYSA-N 0 0 298.270 1.202 20 5 CDBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC[NH+](C)CC1 ZINC000184577464 523937737 /nfs/dbraw/zinc/93/77/37/523937737.db2.gz MAEIDNUYPMCHOY-UHFFFAOYSA-N 0 0 293.323 1.467 20 5 CDBDRN CC[C@H](C)NC(=O)CCNc1ncccc1[N+](=O)[O-] ZINC000037999063 523969777 /nfs/dbraw/zinc/96/97/77/523969777.db2.gz RGLUIXPDKYSYQC-VIFPVBQESA-N 0 0 266.301 1.707 20 5 CDBDRN COCCOCCNc1ncc([N+](=O)[O-])cc1C ZINC000052812820 524011268 /nfs/dbraw/zinc/01/12/68/524011268.db2.gz AHKZZQBXSFJHQK-UHFFFAOYSA-N 0 0 255.274 1.373 20 5 CDBDRN Cc1cc(COC(=O)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000181310418 524800698 /nfs/dbraw/zinc/80/06/98/524800698.db2.gz WBISMCQDUPKKMK-NSHDSACASA-N 0 0 265.265 1.983 20 5 CDBDRN C[C@H]1OCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1C ZINC000188418304 525023556 /nfs/dbraw/zinc/02/35/56/525023556.db2.gz SQECSHACLPSIGH-DTWKUNHWSA-N 0 0 279.296 1.426 20 5 CDBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C(N)=O ZINC000066442369 525240882 /nfs/dbraw/zinc/24/08/82/525240882.db2.gz PHXHYQGRGJYVNM-UHFFFAOYSA-N 0 0 289.247 1.847 20 5 CDBDRN Cc1cc(NCC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000048554626 525265657 /nfs/dbraw/zinc/26/56/57/525265657.db2.gz HFDHGWMWWYNGJA-UHFFFAOYSA-N 0 0 263.297 1.938 20 5 CDBDRN Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000007442970 525386778 /nfs/dbraw/zinc/38/67/78/525386778.db2.gz ZXMJESSQJGSODD-NSHDSACASA-N 0 0 294.307 1.577 20 5 CDBDRN C[C@@H]1C[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000049427798 525483551 /nfs/dbraw/zinc/48/35/51/525483551.db2.gz SEACQWPGSKWILR-ZJUUUORDSA-N 0 0 263.297 1.779 20 5 CDBDRN Cc1n[nH]cc1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000050183519 525496583 /nfs/dbraw/zinc/49/65/83/525496583.db2.gz IERNWDMFEFPOCH-UHFFFAOYSA-N 0 0 288.307 1.989 20 5 CDBDRN CSCC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000154855050 525575051 /nfs/dbraw/zinc/57/50/51/525575051.db2.gz SFGHSODWQQNGAD-SNVBAGLBSA-N 0 0 284.337 1.439 20 5 CDBDRN Cc1ccn(CCc2ccnn2C)c(=O)c1[N+](=O)[O-] ZINC000338406491 525601278 /nfs/dbraw/zinc/60/12/78/525601278.db2.gz FYUJACZTRUXAKQ-UHFFFAOYSA-N 0 0 262.269 1.041 20 5 CDBDRN CS[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000337314277 525808632 /nfs/dbraw/zinc/80/86/32/525808632.db2.gz HYZJFIXUGPYUAA-ZETCQYMHSA-N 0 0 257.315 1.415 20 5 CDBDRN Cc1cc(C(=O)NC2=NCCS2)c(N)c([N+](=O)[O-])c1 ZINC000068512703 526264124 /nfs/dbraw/zinc/26/41/24/526264124.db2.gz BJARMAMMYZJFRG-UHFFFAOYSA-N 0 0 280.309 1.318 20 5 CDBDRN CC(C)(C)[NH2+]CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156681094 526331415 /nfs/dbraw/zinc/33/14/15/526331415.db2.gz YXHBWBAVPVOICQ-UHFFFAOYSA-N 0 0 281.312 1.418 20 5 CDBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCOC2)C1 ZINC000153051163 526813978 /nfs/dbraw/zinc/81/39/78/526813978.db2.gz XJNDUHOLKBUZGR-AWEZNQCLSA-N 0 0 276.292 1.847 20 5 CDBDRN Cn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1C1CC1 ZINC000074783102 527086838 /nfs/dbraw/zinc/08/68/38/527086838.db2.gz NMWKZZDTLMIXIG-UHFFFAOYSA-N 0 0 294.340 1.590 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(F)cc1O ZINC000340330624 527089545 /nfs/dbraw/zinc/08/95/45/527089545.db2.gz LAFIDNWXNDXQQH-UHFFFAOYSA-N 0 0 294.242 1.583 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccnc(C)c1 ZINC000068411261 527089636 /nfs/dbraw/zinc/08/96/36/527089636.db2.gz YQAHWKSWRQEBPM-UHFFFAOYSA-N 0 0 275.268 1.442 20 5 CDBDRN Cc1nc2ccccn2c1Cn1cnc([N+](=O)[O-])n1 ZINC000150909330 527180370 /nfs/dbraw/zinc/18/03/70/527180370.db2.gz UNHGZCWSYWCYQN-UHFFFAOYSA-N 0 0 258.241 1.191 20 5 CDBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccnc1 ZINC000049239703 527401168 /nfs/dbraw/zinc/40/11/68/527401168.db2.gz JUTKOKHEYJPWSJ-UHFFFAOYSA-N 0 0 293.304 1.468 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1F ZINC000340807713 527567236 /nfs/dbraw/zinc/56/72/36/527567236.db2.gz XTUALIXTUFFZCP-BDAKNGLRSA-N 0 0 268.248 1.192 20 5 CDBDRN 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Cc1ccc(N2CCc3nc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000269737379 374164724 /nfs/dbraw/zinc/16/47/24/374164724.db2.gz YVKIIFIHHYZXSI-UHFFFAOYSA-N 0 0 286.291 1.962 20 5 CDBDRN Cc1nc(NC[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000161562676 374254737 /nfs/dbraw/zinc/25/47/37/374254737.db2.gz XZHPMHJXGQSNSE-ONGXEEELSA-N 0 0 251.286 1.871 20 5 CDBDRN COC(=O)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065222954 374256997 /nfs/dbraw/zinc/25/69/97/374256997.db2.gz GQIMKZHDIVSDQF-UHFFFAOYSA-N 0 0 268.269 1.078 20 5 CDBDRN CC(C)NC(=O)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208924 374257139 /nfs/dbraw/zinc/25/71/39/374257139.db2.gz TWULTLVFRJJVJP-UHFFFAOYSA-N 0 0 295.339 1.430 20 5 CDBDRN C[C@]1(O)CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000312191227 374280622 /nfs/dbraw/zinc/28/06/22/374280622.db2.gz MJQQCARCGZCMSA-AFNCTOJWSA-N 0 0 276.292 1.591 20 5 CDBDRN CCNC(=O)CN(CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533047 374274295 /nfs/dbraw/zinc/27/42/95/374274295.db2.gz JQQLGAUMRNPJDO-UHFFFAOYSA-N 0 0 295.339 1.432 20 5 CDBDRN CCCCOCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298853581 374234748 /nfs/dbraw/zinc/23/47/48/374234748.db2.gz MZJUWXBXYVMSMG-UHFFFAOYSA-N 0 0 269.301 1.860 20 5 CDBDRN COc1ccc(CNC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000298861027 374240430 /nfs/dbraw/zinc/24/04/30/374240430.db2.gz PCVQULZLYWZCRK-UHFFFAOYSA-N 0 0 265.269 1.565 20 5 CDBDRN Cc1csc(COC(=O)Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000266631307 374246184 /nfs/dbraw/zinc/24/61/84/374246184.db2.gz KZMBSQLRWIZREM-UHFFFAOYSA-N 0 0 296.308 1.608 20 5 CDBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000347128082 374287054 /nfs/dbraw/zinc/28/70/54/374287054.db2.gz KDPPRRHWRFGDCY-YUMQZZPRSA-N 0 0 282.252 1.211 20 5 CDBDRN C[C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420583690 374298345 /nfs/dbraw/zinc/29/83/45/374298345.db2.gz KWBTZIKXYXFIFC-VIFPVBQESA-N 0 0 263.297 1.930 20 5 CDBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nncn1C ZINC000298979660 374282675 /nfs/dbraw/zinc/28/26/75/374282675.db2.gz HHGGJNLZEFGAGS-ZETCQYMHSA-N 0 0 293.258 1.353 20 5 CDBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)C1 ZINC000114485634 374313091 /nfs/dbraw/zinc/31/30/91/374313091.db2.gz ARJGRMKGDLTPDU-CYBMUJFWSA-N 0 0 280.324 1.949 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1C[NH3+] ZINC000424008749 374399295 /nfs/dbraw/zinc/39/92/95/374399295.db2.gz WGBPIUAKVDVJAQ-KOLCDFICSA-N 0 0 293.323 1.357 20 5 CDBDRN Cc1c(CC(=O)N(C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000296157310 374400153 /nfs/dbraw/zinc/40/01/53/374400153.db2.gz KXCRKSWVFRJFBW-UHFFFAOYSA-N 0 0 294.351 1.923 20 5 CDBDRN CCS(=O)(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299088491 374381348 /nfs/dbraw/zinc/38/13/48/374381348.db2.gz UOJAPGNBUSMHGX-UHFFFAOYSA-N 0 0 274.298 1.043 20 5 CDBDRN O=C1CC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)N1 ZINC000079932518 374430537 /nfs/dbraw/zinc/43/05/37/374430537.db2.gz GRSUKQGKQRICOH-JTQLQIEISA-N 0 0 286.291 1.834 20 5 CDBDRN CC[C@@](C)(CO)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080095692 374443130 /nfs/dbraw/zinc/44/31/30/374443130.db2.gz NUMNSEAXRQUVKK-LBPRGKRZSA-N 0 0 267.285 1.877 20 5 CDBDRN Cc1nn(C)c(N2CCC3(CCO3)CC2)c1[N+](=O)[O-] ZINC000374410141 374483594 /nfs/dbraw/zinc/48/35/94/374483594.db2.gz RKKBNIFJTQFIHF-UHFFFAOYSA-N 0 0 266.301 1.396 20 5 CDBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C)n1 ZINC000531848228 374511355 /nfs/dbraw/zinc/51/13/55/374511355.db2.gz YDOGOBPSWCIEQH-UHFFFAOYSA-N 0 0 290.279 1.898 20 5 CDBDRN COC(=O)[C@@H]1C[C@H](OC)CN1c1ccccc1[N+](=O)[O-] ZINC000302072680 291597632 /nfs/dbraw/zinc/59/76/32/291597632.db2.gz ZJVOJYKEOUULBL-CABZTGNLSA-N 0 0 280.280 1.362 20 5 CDBDRN Cc1c(CNC(=O)NC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000225498732 374515528 /nfs/dbraw/zinc/51/55/28/374515528.db2.gz GDTLTELFIUTNGD-MRVPVSSYSA-N 0 0 267.285 1.083 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC(OCC(F)F)C2)n1 ZINC000531961258 374521756 /nfs/dbraw/zinc/52/17/56/374521756.db2.gz BBSPLNCEMDPJDB-UHFFFAOYSA-N 0 0 273.239 1.769 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C2CC2)C1 ZINC000376469872 374560447 /nfs/dbraw/zinc/56/04/47/374560447.db2.gz WNMZKGOISCXKGS-AWEZNQCLSA-N 0 0 276.292 1.582 20 5 CDBDRN CCC[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000169072033 374561544 /nfs/dbraw/zinc/56/15/44/374561544.db2.gz ODOXOCYTNNXZTD-JTQLQIEISA-N 0 0 288.325 1.034 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](CC(N)=O)C1 ZINC000377135963 374587004 /nfs/dbraw/zinc/58/70/04/374587004.db2.gz IXVMBYXFLUVLKD-SNVBAGLBSA-N 0 0 263.297 1.605 20 5 CDBDRN Cc1c(CS(=O)(=O)C[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000424199672 246383382 /nfs/dbraw/zinc/38/33/82/246383382.db2.gz CUYJOTDQLNKLPK-VIFPVBQESA-N 0 0 287.337 1.446 20 5 CDBDRN O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000274430176 374673767 /nfs/dbraw/zinc/67/37/67/374673767.db2.gz GDNCOUWGYNXFFY-UHFFFAOYSA-N 0 0 289.266 1.828 20 5 CDBDRN COc1cccc(NC[C@H](O)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000274678294 374680782 /nfs/dbraw/zinc/68/07/82/374680782.db2.gz HJGVUVPAVMDCRM-NSHDSACASA-N 0 0 292.295 1.482 20 5 CDBDRN Cc1conc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000123651977 374689251 /nfs/dbraw/zinc/68/92/51/374689251.db2.gz URZBNHQAOXQPLB-UHFFFAOYSA-N 0 0 277.236 1.909 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](CO)C2)c1 ZINC000276800734 374749629 /nfs/dbraw/zinc/74/96/29/374749629.db2.gz QUVNDGRLTXOTJD-ZJUUUORDSA-N 0 0 266.297 1.668 20 5 CDBDRN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308503 304187157 /nfs/dbraw/zinc/18/71/57/304187157.db2.gz CYBMRPUNOSFHNA-LLVKDONJSA-N 0 0 268.244 1.783 20 5 CDBDRN CCCNC(=O)NC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000448051978 374732821 /nfs/dbraw/zinc/73/28/21/374732821.db2.gz AHHHAWDHYFKFNC-UHFFFAOYSA-N 0 0 298.324 1.318 20 5 CDBDRN Cc1cc(=O)n(CC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000277894409 374823549 /nfs/dbraw/zinc/82/35/49/374823549.db2.gz DPFQPGFMUIOJLJ-UHFFFAOYSA-N 0 0 250.254 1.434 20 5 CDBDRN Nc1c(F)c(NC[C@H]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000276982007 374764080 /nfs/dbraw/zinc/76/40/80/374764080.db2.gz UYGFYXYANPFLCH-JGVFFNPUSA-N 0 0 269.276 1.889 20 5 CDBDRN Cc1ccc(N2CC[C@H](C)S(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000277031916 374767071 /nfs/dbraw/zinc/76/70/71/374767071.db2.gz OAEYEUXSCGZGHP-NSHDSACASA-N 0 0 298.364 1.917 20 5 CDBDRN C[C@H](c1ccccc1[N+](=O)[O-])N(C)[C@H]1CCN(C)C1=O ZINC000266725606 374867074 /nfs/dbraw/zinc/86/70/74/374867074.db2.gz JBHUKNSRQLCGJB-MFKMUULPSA-N 0 0 277.324 1.818 20 5 CDBDRN C[C@H]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000331076970 374886333 /nfs/dbraw/zinc/88/63/33/374886333.db2.gz LWPXNEWNVAFQPZ-QWRGUYRKSA-N 0 0 293.323 1.309 20 5 CDBDRN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])C(C)C ZINC000331160264 374896765 /nfs/dbraw/zinc/89/67/65/374896765.db2.gz COZLPTALAPZJSH-SECBINFHSA-N 0 0 268.317 1.976 20 5 CDBDRN C[C@@H]1CCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330390566 374848950 /nfs/dbraw/zinc/84/89/50/374848950.db2.gz ZETCRHLENXSTQQ-ZJUUUORDSA-N 0 0 279.296 1.061 20 5 CDBDRN Cc1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)no1 ZINC000331385699 374945888 /nfs/dbraw/zinc/94/58/88/374945888.db2.gz IHMORRFKLNCTPC-JTQLQIEISA-N 0 0 291.267 1.592 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CCCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000279746005 374955588 /nfs/dbraw/zinc/95/55/88/374955588.db2.gz KRWRWKQRNSBGMD-WPRPVWTQSA-N 0 0 296.327 1.392 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H](C)O)CC2)n1 ZINC000331217186 374908918 /nfs/dbraw/zinc/90/89/18/374908918.db2.gz WGICOHTZIFMXSC-VIFPVBQESA-N 0 0 296.327 1.044 20 5 CDBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCCc2n[nH]cc21 ZINC000280023100 374979819 /nfs/dbraw/zinc/97/98/19/374979819.db2.gz DNZLDGDMHLOZLQ-UHFFFAOYSA-N 0 0 278.293 1.972 20 5 CDBDRN CC1(CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000280017004 374979980 /nfs/dbraw/zinc/97/99/80/374979980.db2.gz NBVGZLNGBZHTRI-UHFFFAOYSA-N 0 0 265.269 1.615 20 5 CDBDRN CC(C)(O)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000280013577 374980237 /nfs/dbraw/zinc/98/02/37/374980237.db2.gz QGSCQLUBRLSDCU-UHFFFAOYSA-N 0 0 281.312 1.284 20 5 CDBDRN O=C(N[C@@H](CO)CC1CCC1)c1ccc([N+](=O)[O-])s1 ZINC000280259151 374987587 /nfs/dbraw/zinc/98/75/87/374987587.db2.gz OGWNFYKELHNANX-SECBINFHSA-N 0 0 284.337 1.937 20 5 CDBDRN C[C@@H](O)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000280661791 375010055 /nfs/dbraw/zinc/01/00/55/375010055.db2.gz BLMDEGWAFUAIJX-ZCFIWIBFSA-N 0 0 264.241 1.036 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNC(=O)CC1 ZINC000332236427 375017899 /nfs/dbraw/zinc/01/78/99/375017899.db2.gz RQZGBRHLRKOQKF-UHFFFAOYSA-N 0 0 291.307 1.174 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000332348455 375028857 /nfs/dbraw/zinc/02/88/57/375028857.db2.gz UUSMJXNNRUOIAA-MWLCHTKSSA-N 0 0 296.327 1.174 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CC(C)(OC)C2)c1[N+](=O)[O-] ZINC000331557255 374972019 /nfs/dbraw/zinc/97/20/19/374972019.db2.gz QBCVDQSGZZATRS-UHFFFAOYSA-N 0 0 282.300 1.131 20 5 CDBDRN CN(CC(C)(C)CO)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000296257348 375093913 /nfs/dbraw/zinc/09/39/13/375093913.db2.gz PCCILKILLSBEBE-UHFFFAOYSA-N 0 0 280.324 1.614 20 5 CDBDRN COC(=O)c1cc(OCC(=O)C(F)F)ccc1[N+](=O)[O-] ZINC000282667784 375098181 /nfs/dbraw/zinc/09/81/81/375098181.db2.gz VPBCJYNUPSUVRU-UHFFFAOYSA-N 0 0 289.190 1.594 20 5 CDBDRN CNC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282996394 375108802 /nfs/dbraw/zinc/10/88/02/375108802.db2.gz FHTWGSGHXUPSRA-UHFFFAOYSA-N 0 0 296.302 1.191 20 5 CDBDRN COc1ccc(C)nc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000471715055 375054755 /nfs/dbraw/zinc/05/47/55/375054755.db2.gz JMCRNKHRRYABMD-UHFFFAOYSA-N 0 0 290.279 1.898 20 5 CDBDRN COc1ccc(CNC(=O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000471781418 375055689 /nfs/dbraw/zinc/05/56/89/375055689.db2.gz PACNEWSBUXNKEC-UHFFFAOYSA-N 0 0 282.296 1.381 20 5 CDBDRN O=C1NC[C@@H](COc2c(F)cccc2[N+](=O)[O-])O1 ZINC000282128026 375066957 /nfs/dbraw/zinc/06/69/57/375066957.db2.gz CDMCRAPDDVSFSK-LURJTMIESA-N 0 0 256.189 1.221 20 5 CDBDRN C[C@@H](CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000097203583 375154748 /nfs/dbraw/zinc/15/47/48/375154748.db2.gz SMLUCNJCURAPEA-IUCAKERBSA-N 0 0 284.337 1.572 20 5 CDBDRN Cc1csc(N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000299427973 375169499 /nfs/dbraw/zinc/16/94/99/375169499.db2.gz KNDCTZTXBJMOAC-UHFFFAOYSA-N 0 0 295.324 1.609 20 5 CDBDRN Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000299459641 375173771 /nfs/dbraw/zinc/17/37/71/375173771.db2.gz YBZUTTZVUFXTLQ-CBAPKCEASA-N 0 0 266.301 1.935 20 5 CDBDRN Cc1ccc(NC(=O)[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000299517433 375177474 /nfs/dbraw/zinc/17/74/74/375177474.db2.gz PNYZVIOFFJHCOH-LLVKDONJSA-N 0 0 263.297 1.936 20 5 CDBDRN COC(=O)[C@H]1C[C@H](OC)CN1c1cc(C)ccc1[N+](=O)[O-] ZINC000302781298 375250855 /nfs/dbraw/zinc/25/08/55/375250855.db2.gz SBPPWDRDEPAQFX-GXFFZTMASA-N 0 0 294.307 1.670 20 5 CDBDRN COCC[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000299732042 375197703 /nfs/dbraw/zinc/19/77/03/375197703.db2.gz ZIUKAZAFCAOVEG-JTQLQIEISA-N 0 0 282.296 1.515 20 5 CDBDRN 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251.286 1.871 20 5 CDBDRN CC1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351525495 375304640 /nfs/dbraw/zinc/30/46/40/375304640.db2.gz SVXJUWURBWNAGN-UHFFFAOYSA-N 0 0 295.270 1.589 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC(=O)NC1 ZINC000351604438 375311170 /nfs/dbraw/zinc/31/11/70/375311170.db2.gz DSSJNMSZPXXIIA-SSDOTTSWSA-N 0 0 296.258 1.134 20 5 CDBDRN Cn1nnnc1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000351693301 375319835 /nfs/dbraw/zinc/31/98/35/375319835.db2.gz KGSKWCFFUMLFKL-UHFFFAOYSA-N 0 0 293.674 1.170 20 5 CDBDRN COC(=O)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000166010843 139927064 /nfs/dbraw/zinc/92/70/64/139927064.db2.gz AIQGVNDKSCEDMZ-ZCFIWIBFSA-N 0 0 270.216 1.025 20 5 CDBDRN Cc1c(CC(=O)NCc2ccno2)cccc1[N+](=O)[O-] ZINC000351919241 375340787 /nfs/dbraw/zinc/34/07/87/375340787.db2.gz NUIUEVNOYCYOTP-UHFFFAOYSA-N 0 0 275.264 1.750 20 5 CDBDRN O=C(NCc1cccnn1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000347288760 375397940 /nfs/dbraw/zinc/39/79/40/375397940.db2.gz 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Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[S@@](C)=O ZINC000278640093 194081836 /nfs/dbraw/zinc/08/18/36/194081836.db2.gz MVBFQAVMGDEGQR-ZRNGKTOUSA-N 0 0 284.337 1.400 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000444131174 250084070 /nfs/dbraw/zinc/08/40/70/250084070.db2.gz SCMMTOYTQYQAAW-QMMMGPOBSA-N 0 0 266.301 1.895 20 5 CDBDRN C[C@H]1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000444471438 250139277 /nfs/dbraw/zinc/13/92/77/250139277.db2.gz AUTDIEZWABXDCA-YUMQZZPRSA-N 0 0 252.274 1.247 20 5 CDBDRN CC1(CCCCn2cccc([N+](=O)[O-])c2=O)OCCO1 ZINC000278683567 194102338 /nfs/dbraw/zinc/10/23/38/194102338.db2.gz YSTONRSVNIUJJV-UHFFFAOYSA-N 0 0 282.296 1.690 20 5 CDBDRN CCOc1cc(Cn2nnc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000278729103 194126863 /nfs/dbraw/zinc/12/68/63/194126863.db2.gz UHVITDQVPUEPIN-UHFFFAOYSA-N 0 0 289.295 1.906 20 5 CDBDRN CCn1ncnc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000278732048 194128361 /nfs/dbraw/zinc/12/83/61/194128361.db2.gz NNXKRBBDONLYSQ-UHFFFAOYSA-N 0 0 266.232 1.924 20 5 CDBDRN CCOC[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000446497071 250296578 /nfs/dbraw/zinc/29/65/78/250296578.db2.gz GGZFUYDCDVJRJP-NSHDSACASA-N 0 0 297.311 1.422 20 5 CDBDRN COc1cc(CN[C@]2(C)CCOC2=O)c([N+](=O)[O-])cc1F ZINC000289450680 197352793 /nfs/dbraw/zinc/35/27/93/197352793.db2.gz FPBMLQPBRNLUDS-CYBMUJFWSA-N 0 0 298.270 1.538 20 5 CDBDRN Cn1cc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000041160110 379341836 /nfs/dbraw/zinc/34/18/36/379341836.db2.gz XQBXEMLGZRKXRV-UHFFFAOYSA-N 0 0 275.268 1.039 20 5 CDBDRN CCc1ccc(C(=O)N[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000174230285 379399757 /nfs/dbraw/zinc/39/97/57/379399757.db2.gz VRSQUYZCDNOCRI-VIFPVBQESA-N 0 0 293.323 1.364 20 5 CDBDRN COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](COC)C1 ZINC000267029297 379477329 /nfs/dbraw/zinc/47/73/29/379477329.db2.gz LCGFOIAXHDSZPA-ZDUSSCGKSA-N 0 0 296.323 1.593 20 5 CDBDRN CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000042109299 379536715 /nfs/dbraw/zinc/53/67/15/379536715.db2.gz 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1.590 20 5 CDBDRN O=C(NCC1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041276608 174512701 /nfs/dbraw/zinc/51/27/01/174512701.db2.gz DCLXDRWZVDZWQS-UHFFFAOYSA-N 0 0 297.698 1.713 20 5 CDBDRN CC(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC000042096714 174637184 /nfs/dbraw/zinc/63/71/84/174637184.db2.gz ASHCBQQKNJVSTQ-UHFFFAOYSA-N 0 0 269.276 1.918 20 5 CDBDRN C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342336 175015792 /nfs/dbraw/zinc/01/57/92/175015792.db2.gz UGNOSNQFVVLJBM-LURJTMIESA-N 0 0 273.676 1.751 20 5 CDBDRN CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000043431340 175043576 /nfs/dbraw/zinc/04/35/76/175043576.db2.gz AEGKUNIWCJIZRJ-VIFPVBQESA-N 0 0 258.299 1.855 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)C1CC1 ZINC000071277522 176107885 /nfs/dbraw/zinc/10/78/85/176107885.db2.gz CDDKUIKXKSDHBL-NSHDSACASA-N 0 0 264.281 1.404 20 5 CDBDRN O=C(NC[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000071304044 176115360 /nfs/dbraw/zinc/11/53/60/176115360.db2.gz 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/nfs/dbraw/zinc/33/66/73/177336673.db2.gz OLCSLDWWFMXVKT-UHFFFAOYSA-N 0 0 263.278 1.981 20 5 CDBDRN CNC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000323035936 270331592 /nfs/dbraw/zinc/33/15/92/270331592.db2.gz ZAXKGTXCVRAVRL-ZETCQYMHSA-N 0 0 252.274 1.235 20 5 CDBDRN CC[C@@H](O)[C@@H](CC)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000313087918 260245910 /nfs/dbraw/zinc/24/59/10/260245910.db2.gz QDXJOJMFYCNBQV-HTQZYQBOSA-N 0 0 272.326 1.936 20 5 CDBDRN C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180497786 261424083 /nfs/dbraw/zinc/42/40/83/261424083.db2.gz RLGHSCCUOBANCA-LDYMZIIASA-N 0 0 278.312 1.881 20 5 CDBDRN CCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000192542028 262205046 /nfs/dbraw/zinc/20/50/46/262205046.db2.gz SMYKRNXAHBZBFJ-UHFFFAOYSA-N 0 0 254.311 1.964 20 5 CDBDRN CN(C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)C1CC1 ZINC000185174283 270255594 /nfs/dbraw/zinc/25/55/94/270255594.db2.gz AAGJUOXOHOAGBU-UHFFFAOYSA-N 0 0 264.285 1.290 20 5 CDBDRN O=C(NC1=NCCS1)c1cc2cccc([N+](=O)[O-])c2[nH]1 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CC(C)(C(=O)NN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000269117825 270314340 /nfs/dbraw/zinc/31/43/40/270314340.db2.gz SVBIQZQNEXOBQD-UHFFFAOYSA-N 0 0 293.323 1.236 20 5 CDBDRN C[C@H]1C[C@H](CO)CN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000398835880 270363521 /nfs/dbraw/zinc/36/35/21/270363521.db2.gz ZJXLPVKXWWXDAY-IUCAKERBSA-N 0 0 296.352 1.759 20 5 CDBDRN C[C@H]1C[C@H](CO)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000398877377 270364435 /nfs/dbraw/zinc/36/44/35/270364435.db2.gz XSWHWPYNOMDNDV-UWVGGRQHSA-N 0 0 251.286 1.445 20 5 CDBDRN CNc1nc(C(=O)N2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000521810057 270562932 /nfs/dbraw/zinc/56/29/32/270562932.db2.gz JTRICRAFFMCHKD-OCAPTIKFSA-N 0 0 264.285 1.654 20 5 CDBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1cccnn1 ZINC000525685859 270620014 /nfs/dbraw/zinc/62/00/14/270620014.db2.gz LBYILROYIDXRTO-UHFFFAOYSA-N 0 0 288.263 1.427 20 5 CDBDRN Cc1nn(C)c(C(=O)NCc2ncccc2F)c1[N+](=O)[O-] ZINC000526030806 270636058 /nfs/dbraw/zinc/63/60/58/270636058.db2.gz LOURCNBFCNTYLB-UHFFFAOYSA-N 0 0 293.258 1.101 20 5 CDBDRN O=[N+]([O-])c1cccc(N2CCN([C@@H]3CCOC3)CC2)c1 ZINC000269980720 275039311 /nfs/dbraw/zinc/03/93/11/275039311.db2.gz QXOZOWVJASIYOU-CQSZACIVSA-N 0 0 277.324 1.506 20 5 CDBDRN CC1(C)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000279057294 275850494 /nfs/dbraw/zinc/85/04/94/275850494.db2.gz APBFDIQDTKQAGG-LLVKDONJSA-N 0 0 281.268 1.710 20 5 CDBDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050710131 276583541 /nfs/dbraw/zinc/58/35/41/276583541.db2.gz FSYHGXHPBPAWCA-VHSXEESVSA-N 0 0 293.323 1.817 20 5 CDBDRN CNc1nc(C(=O)NC2CC(C)C2)ccc1[N+](=O)[O-] ZINC000455820978 277045192 /nfs/dbraw/zinc/04/51/92/277045192.db2.gz DOJVOQZHNZAJNU-UHFFFAOYSA-N 0 0 264.285 1.560 20 5 CDBDRN COC(=O)[C@@H](O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000301782021 277079062 /nfs/dbraw/zinc/07/90/62/277079062.db2.gz NWOVZWSTUSAKGB-ZDUSSCGKSA-N 0 0 294.307 1.345 20 5 CDBDRN CO[C@H]1CCC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420619542 277338205 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CC(C)C[C@@H]1COCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000158332441 279041351 /nfs/dbraw/zinc/04/13/51/279041351.db2.gz FXSJVGNFZFDTSL-SECBINFHSA-N 0 0 282.300 1.205 20 5 CDBDRN CS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089589976 279262264 /nfs/dbraw/zinc/26/22/64/279262264.db2.gz QORNXBXZYQKSQO-UHFFFAOYSA-N 0 0 282.277 1.794 20 5 CDBDRN CN(CC1CC(O)C1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000091490959 279284438 /nfs/dbraw/zinc/28/44/38/279284438.db2.gz BWQUNQYATHUQKL-AATRIKPKSA-N 0 0 290.319 1.837 20 5 CDBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC(CO)C1 ZINC000091479037 279284465 /nfs/dbraw/zinc/28/44/65/279284465.db2.gz FREMEJPDEQVMRV-ZZXKWVIFSA-N 0 0 262.265 1.059 20 5 CDBDRN CCN(Cc1ccccn1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000126070544 279484997 /nfs/dbraw/zinc/48/49/97/279484997.db2.gz JTHRNTHEWVNNIO-UHFFFAOYSA-N 0 0 289.295 1.386 20 5 CDBDRN Nc1nc(N2CCS[C@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC000267730531 279707632 /nfs/dbraw/zinc/70/76/32/279707632.db2.gz CSLNYEDISSFCGG-SCZZXKLOSA-N 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/nfs/dbraw/zinc/85/98/72/788859872.db2.gz XYLYYOUCPHLEMO-QMMMGPOBSA-N 0 0 266.253 1.431 20 5 CDBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1-n1cnc(CCCO)c1 ZINC000804441520 788864846 /nfs/dbraw/zinc/86/48/46/788864846.db2.gz MTIGWRZQGHNRFX-UHFFFAOYSA-N 0 0 292.251 1.614 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1csc([C@H]2CCCO2)n1 ZINC000860917507 788874405 /nfs/dbraw/zinc/87/44/05/788874405.db2.gz MISYCSJNPSFNMK-SECBINFHSA-N 0 0 286.309 1.818 20 5 CDBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000839717501 788875699 /nfs/dbraw/zinc/87/56/99/788875699.db2.gz IJROXKVHBLPURC-JHJVBQTASA-N 0 0 278.308 1.234 20 5 CDBDRN O=C(OCc1ccno1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780075512 788891013 /nfs/dbraw/zinc/89/10/13/788891013.db2.gz KZCRPJQUTSUYSZ-UHFFFAOYSA-N 0 0 264.193 1.645 20 5 CDBDRN COCC[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881846973 788968092 /nfs/dbraw/zinc/96/80/92/788968092.db2.gz UMWZMMQHFYIZFH-UHFFFAOYSA-N 0 0 298.318 1.652 20 5 CDBDRN COc1c(C(=O)OCc2ncccn2)cccc1[N+](=O)[O-] ZINC000796307678 789016469 /nfs/dbraw/zinc/01/64/69/789016469.db2.gz BIIHIFOBURBWDL-UHFFFAOYSA-N 0 0 289.247 1.750 20 5 CDBDRN O=C(N[C@H]1C[C@H](O)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000856394217 789041641 /nfs/dbraw/zinc/04/16/41/789041641.db2.gz HOZHXLPOBDOTSC-LJGSYFOKSA-N 0 0 270.672 1.501 20 5 CDBDRN O=C(Oc1cccc(OC2CC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851346346 789049891 /nfs/dbraw/zinc/04/98/91/789049891.db2.gz GGWBPBNTLAPYSX-VXGBXAGGSA-N 0 0 263.249 1.798 20 5 CDBDRN COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)C(C)C ZINC000864034831 789051398 /nfs/dbraw/zinc/05/13/98/789051398.db2.gz BJCJDDGJUVTWTE-JTQLQIEISA-N 0 0 284.268 1.288 20 5 CDBDRN COC(=O)CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823933729 789055141 /nfs/dbraw/zinc/05/51/41/789055141.db2.gz VHKDURHLQPANSZ-UHFFFAOYSA-N 0 0 296.283 1.252 20 5 CDBDRN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCOCC2)c1 ZINC000848474068 789057643 /nfs/dbraw/zinc/05/76/43/789057643.db2.gz WQORHGUOBKLXEM-UHFFFAOYSA-N 0 0 288.307 1.748 20 5 CDBDRN O=C(C1CC1)[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CCO1 ZINC000886140976 789097615 /nfs/dbraw/zinc/09/76/15/789097615.db2.gz TWAVNVODCCZRNB-LBPRGKRZSA-N 0 0 291.307 1.170 20 5 CDBDRN Cc1c(CN2C(=O)[C@H](C)NC2=S)cccc1[N+](=O)[O-] ZINC000790097306 789130623 /nfs/dbraw/zinc/13/06/23/789130623.db2.gz RWKFSDYPDLVNLF-QMMMGPOBSA-N 0 0 279.321 1.508 20 5 CDBDRN O=C(NCC1OCCCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000716415406 789166229 /nfs/dbraw/zinc/16/62/29/789166229.db2.gz AKKRATUAIPXOFO-UHFFFAOYSA-N 0 0 284.243 1.227 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](CO)[C@H](O)C1 ZINC000840334741 789168622 /nfs/dbraw/zinc/16/86/22/789168622.db2.gz FYETZEBMKAAWTC-LDYMZIIASA-N 0 0 286.715 1.346 20 5 CDBDRN COCc1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000049671996 789202267 /nfs/dbraw/zinc/20/22/67/789202267.db2.gz UYPMNZCNKIUNIO-UHFFFAOYSA-N 0 0 250.214 1.373 20 5 CDBDRN C[C@@H](O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000856127574 789234054 /nfs/dbraw/zinc/23/40/54/789234054.db2.gz CWRIKRVDOZZPKG-SSDOTTSWSA-N 0 0 268.244 1.377 20 5 CDBDRN CC(C)Oc1nc(N[C@]23C[C@H]2COC3)ccc1[N+](=O)[O-] ZINC000884600911 789266172 /nfs/dbraw/zinc/26/61/72/789266172.db2.gz UDSWLHPXCJPUOD-ZANVPECISA-N 0 0 279.296 1.978 20 5 CDBDRN COCCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176684373 789270646 /nfs/dbraw/zinc/27/06/46/789270646.db2.gz ANBOLNCNZBLTSI-UHFFFAOYSA-N 0 0 270.260 1.809 20 5 CDBDRN COc1ccc(OC(=O)c2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC000805856893 789352511 /nfs/dbraw/zinc/35/25/11/789352511.db2.gz GMTAFXPKCKUTQU-UHFFFAOYSA-N 0 0 277.236 1.854 20 5 CDBDRN CC[NH+]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844206744 789356262 /nfs/dbraw/zinc/35/62/62/789356262.db2.gz KSBBYXKJUJEBAJ-UHFFFAOYSA-N 0 0 293.323 1.364 20 5 CDBDRN CC(=O)[C@@H](C)OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778899766 789367332 /nfs/dbraw/zinc/36/73/32/789367332.db2.gz MXFOCJLAPJVNFU-SSDOTTSWSA-N 0 0 281.220 1.458 20 5 CDBDRN COc1cc(OC)cc(C(=O)OCCC[N+](=O)[O-])c1 ZINC000860911388 789370611 /nfs/dbraw/zinc/37/06/11/789370611.db2.gz LVVSIDJIKMXBGT-UHFFFAOYSA-N 0 0 269.253 1.527 20 5 CDBDRN CC(C)(O)CON=c1c(Cl)c[nH]cc1[N+](=O)[O-] ZINC000853544666 789371589 /nfs/dbraw/zinc/37/15/89/789371589.db2.gz YCRJMAFPFBATDO-UHFFFAOYSA-N 0 0 261.665 1.180 20 5 CDBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](CF)C1 ZINC000881599554 789438552 /nfs/dbraw/zinc/43/85/52/789438552.db2.gz BUNSNARNJKFDLC-QMMMGPOBSA-N 0 0 283.259 1.517 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000814047234 789467110 /nfs/dbraw/zinc/46/71/10/789467110.db2.gz CGCCUDRNEZHOAG-QMMMGPOBSA-N 0 0 293.279 1.252 20 5 CDBDRN CCOC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000174965241 789474727 /nfs/dbraw/zinc/47/47/27/789474727.db2.gz IIYLONMQOLIMEF-QMMMGPOBSA-N 0 0 267.237 1.703 20 5 CDBDRN CC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000228277554 789532006 /nfs/dbraw/zinc/53/20/06/789532006.db2.gz QFSJUGVXSXOILO-NSHDSACASA-N 0 0 291.307 1.512 20 5 CDBDRN CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](CO)C1 ZINC000703864854 789589779 /nfs/dbraw/zinc/58/97/79/789589779.db2.gz AEOGNZDGUBSXQE-LBPRGKRZSA-N 0 0 299.758 1.357 20 5 CDBDRN COC/C(C)=C\C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000844303760 789622633 /nfs/dbraw/zinc/62/26/33/789622633.db2.gz RRKWKAGRDJILSG-LUAWRHEFSA-N 0 0 293.323 1.716 20 5 CDBDRN CCCCC1(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000889530187 789651320 /nfs/dbraw/zinc/65/13/20/789651320.db2.gz IAYAEBXUDOMTTK-UHFFFAOYSA-N 0 0 266.301 1.781 20 5 CDBDRN O=C(CN1CCCC1=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000782621718 789683046 /nfs/dbraw/zinc/68/30/46/789683046.db2.gz XIOJQDIIBYNYSA-UHFFFAOYSA-N 0 0 296.254 1.400 20 5 CDBDRN COc1cc(C(=O)NC[C@H]2CC(C)=NO2)ccc1[N+](=O)[O-] ZINC000854795331 789690340 /nfs/dbraw/zinc/69/03/40/789690340.db2.gz YNJVTNHMYCQMFO-SNVBAGLBSA-N 0 0 293.279 1.498 20 5 CDBDRN CC(C)NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000005958472 789691578 /nfs/dbraw/zinc/69/15/78/789691578.db2.gz LXCQPMKIUOJLRN-UHFFFAOYSA-N 0 0 280.280 1.205 20 5 CDBDRN COC(=O)N[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000884774667 789710052 /nfs/dbraw/zinc/71/00/52/789710052.db2.gz ORKHOTKUIYHECS-VIFPVBQESA-N 0 0 280.284 1.233 20 5 CDBDRN O=[N+]([O-])c1cn(Cc2cnsn2)nc1C1CC1 ZINC000848433483 789719304 /nfs/dbraw/zinc/71/93/04/789719304.db2.gz AJXAYHRMPIESFZ-UHFFFAOYSA-N 0 0 251.271 1.569 20 5 CDBDRN O=C1CC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]2N1 ZINC000886278713 789737725 /nfs/dbraw/zinc/73/77/25/789737725.db2.gz HLYAJPUFXAUISO-CMPLNLGQSA-N 0 0 290.323 1.090 20 5 CDBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC[N+](=O)[O-] ZINC000798194969 789744031 /nfs/dbraw/zinc/74/40/31/789744031.db2.gz BSLFMGCOWCEGKH-MGNBDDOMSA-N 0 0 270.354 1.694 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CSC1 ZINC000921866516 789763698 /nfs/dbraw/zinc/76/36/98/789763698.db2.gz WWRLQQPCTLHLTL-UHFFFAOYSA-N 0 0 288.350 1.297 20 5 CDBDRN COC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839631305 789771410 /nfs/dbraw/zinc/77/14/10/789771410.db2.gz GMHXHCIUCBMOCU-IJLUTSLNSA-N 0 0 264.281 1.156 20 5 CDBDRN C[C@H](NC1CC1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191902 789781191 /nfs/dbraw/zinc/78/11/91/789781191.db2.gz NLVSDGZNONDSCV-QMMMGPOBSA-N 0 0 289.295 1.777 20 5 CDBDRN COC(=O)c1ccnc(N(C)CCCF)c1[N+](=O)[O-] ZINC000884856646 789801106 /nfs/dbraw/zinc/80/11/06/789801106.db2.gz IAROBQQDCNUOLH-UHFFFAOYSA-N 0 0 271.248 1.572 20 5 CDBDRN Cc1nn(CN2CC[C@@H](F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840104609 789812078 /nfs/dbraw/zinc/81/20/78/789812078.db2.gz UYWZFAQNQRVWJW-SECBINFHSA-N 0 0 279.275 1.649 20 5 CDBDRN CCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935862098 789840401 /nfs/dbraw/zinc/84/04/01/789840401.db2.gz PWUZEABECNLYQC-QWHCGFSZSA-N 0 0 290.319 1.682 20 5 CDBDRN C[C@@H](COC(=O)c1ccc2c(c1)CCCC(=O)N2)[N+](=O)[O-] ZINC000813114624 789840529 /nfs/dbraw/zinc/84/05/29/789840529.db2.gz UQFYKEHIHNROGU-VIFPVBQESA-N 0 0 292.291 1.783 20 5 CDBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC(=O)N1 ZINC000824909925 789840920 /nfs/dbraw/zinc/84/09/20/789840920.db2.gz SBFONDJQRMTBIH-MRVPVSSYSA-N 0 0 283.715 1.569 20 5 CDBDRN C[C@H](OC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000796444355 789844278 /nfs/dbraw/zinc/84/42/78/789844278.db2.gz GKNMYHKLVVXBNM-QMMMGPOBSA-N 0 0 280.280 1.289 20 5 CDBDRN O=C([O-])[C@H](CF)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001601650728 1167798061 /nfs/dbraw/zinc/79/80/61/1167798061.db2.gz QTKHHJGGTSVODD-GFAPAMAISA-N 0 0 268.244 1.620 20 5 CDBDRN CN1C[C@@H](Nc2cnc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC001167239760 894934602 /nfs/dbraw/zinc/93/46/02/894934602.db2.gz PRRMVMXWARKPCN-ZETCQYMHSA-N 0 0 284.703 1.676 20 5 CDBDRN Nc1cc2nc3ccccc3n(-c3ncc[nH]3)c-2cc1=O ZINC001176085469 913928636 /nfs/dbraw/zinc/92/86/36/913928636.db2.gz ISYCQHLOQSRGRG-UHFFFAOYSA-N 0 0 277.287 1.796 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N[C@](C)(C(N)=O)C(C)C ZINC001167404033 895561064 /nfs/dbraw/zinc/56/10/64/895561064.db2.gz MLBNWMPCWQTKQQ-LBPRGKRZSA-N 0 0 282.300 1.310 20 5 CDBDRN COc1cc(N[C@](C)(C(N)=O)C(C)C)cnc1[N+](=O)[O-] ZINC001167415011 895591289 /nfs/dbraw/zinc/59/12/89/895591289.db2.gz GCPWSCZKMDOMIJ-LBPRGKRZSA-N 0 0 282.300 1.310 20 5 CDBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1F ZINC001349688280 896608412 /nfs/dbraw/zinc/60/84/12/896608412.db2.gz UGPNYIANEHRODH-GHMZBOCLSA-N 0 0 266.272 1.954 20 5 CDBDRN COc1ccc(Nc2c(C)cnn2CCO)cc1[N+](=O)[O-] ZINC001176363462 914086886 /nfs/dbraw/zinc/08/68/86/914086886.db2.gz MPERPUMFZIFSEO-UHFFFAOYSA-N 0 0 292.295 1.844 20 5 CDBDRN C[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000699858384 914393009 /nfs/dbraw/zinc/39/30/09/914393009.db2.gz TYLAYSKSEVBDEB-HTRCEHHLSA-N 0 0 255.249 1.763 20 5 CDBDRN COc1cc(NC2(CO)CCCC2)cnc1[N+](=O)[O-] ZINC001167807301 901001100 /nfs/dbraw/zinc/00/11/00/901001100.db2.gz PXVFHYZZLXJTIH-UHFFFAOYSA-N 0 0 267.285 1.715 20 5 CDBDRN COc1cccc(CO[C@@H](C[N+](=O)[O-])C2CC2)n1 ZINC001223468228 901504892 /nfs/dbraw/zinc/50/48/92/901504892.db2.gz LXWIFLFHVNPHMD-NSHDSACASA-N 0 0 252.270 1.662 20 5 CDBDRN N=CNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001167869026 901515304 /nfs/dbraw/zinc/51/53/04/901515304.db2.gz RGPDCMJWTGXVIG-UHFFFAOYSA-N 0 0 261.035 1.010 20 5 CDBDRN Cc1cc(C)n(CCCC(=O)O[C@@H](C)C[N+](=O)[O-])n1 ZINC001343673104 901584950 /nfs/dbraw/zinc/58/49/50/901584950.db2.gz DVGFNKCEAMQVKJ-NSHDSACASA-N 0 0 269.301 1.489 20 5 CDBDRN CC[C@H](O)C(=O)Oc1cc([N+](=O)[O-])ccc1OC ZINC001225613540 903341416 /nfs/dbraw/zinc/34/14/16/903341416.db2.gz STPYCBFHINMKME-QMMMGPOBSA-N 0 0 255.226 1.280 20 5 CDBDRN CCC(CO)(CO)Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167969211 904844461 /nfs/dbraw/zinc/84/44/61/904844461.db2.gz AGWYUSOQOAOGGT-UHFFFAOYSA-N 0 0 275.692 1.189 20 5 CDBDRN COC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000696572829 905335191 /nfs/dbraw/zinc/33/51/91/905335191.db2.gz GBLQUSWHFQNWOF-SNVBAGLBSA-N 0 0 282.271 1.985 20 5 CDBDRN CCc1cc(O[C@H](C[N+](=O)[O-])C2CC2)nc(C)n1 ZINC001226681420 905425860 /nfs/dbraw/zinc/42/58/60/905425860.db2.gz OEPZYZKXJOKOAQ-LLVKDONJSA-N 0 0 251.286 1.782 20 5 CDBDRN COC1=CC[C@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228141392 906961722 /nfs/dbraw/zinc/96/17/22/906961722.db2.gz PZGNHWQSPSIWAS-QMMMGPOBSA-N 0 0 267.241 1.552 20 5 CDBDRN C[C@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])c1nccs1 ZINC001228141450 906962143 /nfs/dbraw/zinc/96/21/43/906962143.db2.gz QGBAGSBLIFYDCJ-YFKPBYRVSA-N 0 0 268.254 1.687 20 5 CDBDRN COC(C[C@H](C)Oc1ncncc1[N+](=O)[O-])OC ZINC001228653651 907535832 /nfs/dbraw/zinc/53/58/32/907535832.db2.gz ACNCNOBRMVSJQY-ZETCQYMHSA-N 0 0 257.246 1.161 20 5 CDBDRN NC(=O)c1nc(NCCOC(F)(F)F)ccc1[N+](=O)[O-] ZINC001168167198 907591614 /nfs/dbraw/zinc/59/16/14/907591614.db2.gz LVBUPKXEBHCIEB-UHFFFAOYSA-N 0 0 294.189 1.037 20 5 CDBDRN CNC(=O)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000322667502 908990722 /nfs/dbraw/zinc/99/07/22/908990722.db2.gz DYGQNAXPMKYQGF-ZETCQYMHSA-N 0 0 299.714 1.503 20 5 CDBDRN O=[N+]([O-])c1ccc(NCCN2CCC2)c([N+](=O)[O-])c1 ZINC000697928464 909732827 /nfs/dbraw/zinc/73/28/27/909732827.db2.gz 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20 5 CDBDRN Cc1cn(Cc2nnc(C(C)C)o2)nc1[N+](=O)[O-] ZINC000282138458 195517301 /nfs/dbraw/zinc/51/73/01/195517301.db2.gz AONNVFVOHOOPHC-UHFFFAOYSA-N 0 0 251.246 1.654 20 5 CDBDRN CNC(=O)[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000048625781 390451387 /nfs/dbraw/zinc/45/13/87/390451387.db2.gz AWHVZIXYDGQIOH-ZETCQYMHSA-N 0 0 265.269 1.344 20 5 CDBDRN CN(C)C(=O)CSc1nc2sccn2c1[N+](=O)[O-] ZINC000450928738 390579389 /nfs/dbraw/zinc/57/93/89/390579389.db2.gz GERWDQKVGADEKL-UHFFFAOYSA-N 0 0 286.338 1.484 20 5 CDBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(=O)NC ZINC000450938607 390580051 /nfs/dbraw/zinc/58/00/51/390580051.db2.gz JAGNIUNRSRHXAI-LLVKDONJSA-N 0 0 279.296 1.734 20 5 CDBDRN CC[C@H](Nc1c([N+](=O)[O-])nc(C)n1CC)C(=O)NC ZINC000450941821 390580242 /nfs/dbraw/zinc/58/02/42/390580242.db2.gz ONXZUNSJBXSDGR-QMMMGPOBSA-N 0 0 269.305 1.056 20 5 CDBDRN CC[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C(=O)NC ZINC000450949484 390581370 /nfs/dbraw/zinc/58/13/70/390581370.db2.gz SRAFSNIHJDDMMA-LBPRGKRZSA-N 0 0 288.307 1.501 20 5 CDBDRN COCCN1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000105791002 390519403 /nfs/dbraw/zinc/51/94/03/390519403.db2.gz PIFNURQJWXUMSU-LLVKDONJSA-N 0 0 280.328 1.147 20 5 CDBDRN COC(=O)C1(Cn2ccc(C)c([N+](=O)[O-])c2=O)CCCC1 ZINC000450870456 390568119 /nfs/dbraw/zinc/56/81/19/390568119.db2.gz LTYKGKLMJYJWCF-UHFFFAOYSA-N 0 0 294.307 1.798 20 5 CDBDRN CC(=O)c1ccc(N[C@H](C)C(=O)NCCF)c([N+](=O)[O-])c1 ZINC000283328896 195841180 /nfs/dbraw/zinc/84/11/80/195841180.db2.gz AHKONXZBIQOLQK-MRVPVSSYSA-N 0 0 297.286 1.684 20 5 CDBDRN COc1ccc(C(=O)NCCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000395865300 390664509 /nfs/dbraw/zinc/66/45/09/390664509.db2.gz DAEZZPPMSONCOM-UHFFFAOYSA-N 0 0 294.307 1.496 20 5 CDBDRN CC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000075943012 390682847 /nfs/dbraw/zinc/68/28/47/390682847.db2.gz JPCCJAQBMZBERB-QMMMGPOBSA-N 0 0 283.284 1.496 20 5 CDBDRN CC(C)(C)c1nsc(-n2ccc([N+](=O)[O-])n2)n1 ZINC000158675124 390815938 /nfs/dbraw/zinc/81/59/38/390815938.db2.gz VCVAQJSNLLINGW-UHFFFAOYSA-N 0 0 253.287 1.930 20 5 CDBDRN C[C@@H]1CC(NC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000179405459 390955622 /nfs/dbraw/zinc/95/56/22/390955622.db2.gz MHKXIYARLDFLQI-YUMQZZPRSA-N 0 0 266.301 1.872 20 5 CDBDRN C[C@@H](Oc1ccccn1)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC000410718673 390964677 /nfs/dbraw/zinc/96/46/77/390964677.db2.gz FIZOFDNHQQVRHV-MRVPVSSYSA-N 0 0 291.267 1.129 20 5 CDBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](O)C1 ZINC000411185942 390966035 /nfs/dbraw/zinc/96/60/35/390966035.db2.gz OLNBRPVMRZHZQD-HZSPNIEDSA-N 0 0 290.319 1.682 20 5 CDBDRN CCNC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411753395 390968248 /nfs/dbraw/zinc/96/82/48/390968248.db2.gz CONFRCSOLJKVKY-UHFFFAOYSA-N 0 0 265.313 1.556 20 5 CDBDRN CC[C@@H]1CN(C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000517221911 390968659 /nfs/dbraw/zinc/96/86/59/390968659.db2.gz GAUXGJSGIJHGMW-LLVKDONJSA-N 0 0 277.324 1.761 20 5 CDBDRN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000167136710 390974335 /nfs/dbraw/zinc/97/43/35/390974335.db2.gz IZSBQBRFGLPREW-XVKPBYJWSA-N 0 0 271.704 1.850 20 5 CDBDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574102503 391003899 /nfs/dbraw/zinc/00/38/99/391003899.db2.gz FJGWPIBSWOZVJO-VXNVDRBHSA-N 0 0 252.274 1.579 20 5 CDBDRN C[S@](=O)c1nncn1-c1c(F)cccc1[N+](=O)[O-] ZINC000342118577 391007153 /nfs/dbraw/zinc/00/71/53/391007153.db2.gz DCEGMEKRVYVVJF-SFHVURJKSA-N 0 0 270.245 1.052 20 5 CDBDRN CO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C12CCC2 ZINC000458192446 391114724 /nfs/dbraw/zinc/11/47/24/391114724.db2.gz NMHDJZUMCIOUED-RKDXNWHRSA-N 0 0 280.284 1.005 20 5 CDBDRN COc1cccc(C(=O)NC[C@H]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000192934981 533411051 /nfs/dbraw/zinc/41/10/51/533411051.db2.gz NEYBTLQIWVMJRB-VHSXEESVSA-N 0 0 294.307 1.494 20 5 CDBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CF)C1 ZINC000413141476 391165643 /nfs/dbraw/zinc/16/56/43/391165643.db2.gz HIZLYUALYCZDRG-LBPRGKRZSA-N 0 0 297.286 1.475 20 5 CDBDRN C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000413217180 391179061 /nfs/dbraw/zinc/17/90/61/391179061.db2.gz XVFDKYVCYOMQAI-MRVPVSSYSA-N 0 0 283.181 1.854 20 5 CDBDRN CCn1ccc(CNc2c([N+](=O)[O-])ncn2C)n1 ZINC000413495360 391221989 /nfs/dbraw/zinc/22/19/89/391221989.db2.gz RPWSXMABBVBFCS-UHFFFAOYSA-N 0 0 250.262 1.157 20 5 CDBDRN Cc1cc(N2CC[C@@H](C(=O)N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000413505949 391224487 /nfs/dbraw/zinc/22/44/87/391224487.db2.gz DXRGOZUCJFAZTN-SNVBAGLBSA-N 0 0 295.314 1.957 20 5 CDBDRN CC(C)(C)N(CC(N)=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000133979313 391229513 /nfs/dbraw/zinc/22/95/13/391229513.db2.gz ZFMBPZJSLQZUJV-UHFFFAOYSA-N 0 0 283.303 1.820 20 5 CDBDRN COC[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000517662787 391234783 /nfs/dbraw/zinc/23/47/83/391234783.db2.gz VBOYMKGFHDSLGM-GXFFZTMASA-N 0 0 296.323 1.476 20 5 CDBDRN Cc1c(C(=O)N[C@@H]2CCN(C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000190111712 391248034 /nfs/dbraw/zinc/24/80/34/391248034.db2.gz WGMHGYYOXAXVAD-SNVBAGLBSA-N 0 0 291.307 1.254 20 5 CDBDRN CO[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000413443114 391214815 /nfs/dbraw/zinc/21/48/15/391214815.db2.gz MVANMERGOSHYEE-DTWKUNHWSA-N 0 0 266.301 1.698 20 5 CDBDRN NS(=O)(=O)c1c(NCc2ccoc2)cccc1[N+](=O)[O-] ZINC000520321131 391267654 /nfs/dbraw/zinc/26/76/54/391267654.db2.gz DMAYXRQAMARPTG-UHFFFAOYSA-N 0 0 297.292 1.447 20 5 CDBDRN COc1cc(OCC(=O)Nc2ccon2)ccc1[N+](=O)[O-] ZINC000183739801 391308806 /nfs/dbraw/zinc/30/88/06/391308806.db2.gz DONJILKXPVHCNU-UHFFFAOYSA-N 0 0 293.235 1.609 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000458253498 391343289 /nfs/dbraw/zinc/34/32/89/391343289.db2.gz IEWSMSJOFDILKU-WEDXCCLWSA-N 0 0 278.312 1.799 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000439142033 391441636 /nfs/dbraw/zinc/44/16/36/391441636.db2.gz VJSAAQKNDLSMBT-BDAKNGLRSA-N 0 0 280.280 1.967 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CCCO)C2)n1 ZINC000450956602 391507653 /nfs/dbraw/zinc/50/76/53/391507653.db2.gz RUXUGURZDMFBOU-NSHDSACASA-N 0 0 265.313 1.897 20 5 CDBDRN Cc1cc(N2CCN(CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000290911172 391567842 /nfs/dbraw/zinc/56/78/42/391567842.db2.gz GHXFQSVFSQRVEN-UHFFFAOYSA-N 0 0 283.303 1.157 20 5 CDBDRN CN(C(=O)c1ccccn1)c1ccc([N+](=O)[O-])nc1 ZINC000439287182 391575058 /nfs/dbraw/zinc/57/50/58/391575058.db2.gz VPLWHAVJLZOPCO-UHFFFAOYSA-N 0 0 258.237 1.661 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)N(C)C ZINC000192572408 391680632 /nfs/dbraw/zinc/68/06/32/391680632.db2.gz MXRZJTBDMAODQT-UHFFFAOYSA-N 0 0 251.286 1.712 20 5 CDBDRN Cc1nc2ccc(NCc3ccccc3[N+](=O)[O-])nn2n1 ZINC000341720435 129996739 /nfs/dbraw/zinc/99/67/39/129996739.db2.gz HHYCRHPRWSROKF-UHFFFAOYSA-N 0 0 284.279 1.375 20 5 CDBDRN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC000189782304 130021578 /nfs/dbraw/zinc/02/15/78/130021578.db2.gz WDBVWQBHJWUFNG-IUCAKERBSA-N 0 0 276.300 1.530 20 5 CDBDRN C[C@H](C[S@@](C)=O)N(C)c1ncc([N+](=O)[O-])s1 ZINC000189990198 130047702 /nfs/dbraw/zinc/04/77/02/130047702.db2.gz MBXWELBVUDZPSQ-ADNUTGFCSA-N 0 0 263.344 1.255 20 5 CDBDRN COc1cc(OC)cc(Oc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000341804642 130068321 /nfs/dbraw/zinc/06/83/21/130068321.db2.gz AHNTYBBSAPZCJA-UHFFFAOYSA-N 0 0 292.251 1.607 20 5 CDBDRN COc1ccc(OS(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000190301855 130086473 /nfs/dbraw/zinc/08/64/73/130086473.db2.gz HDNKUUUBRYPZLX-UHFFFAOYSA-N 0 0 273.266 1.474 20 5 CDBDRN NC(=O)c1cccc(NCC2CCOCC2)c1[N+](=O)[O-] ZINC000341847835 130090646 /nfs/dbraw/zinc/09/06/46/130090646.db2.gz XMXIGHXEWAGFPW-UHFFFAOYSA-N 0 0 279.296 1.532 20 5 CDBDRN CO[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000191217721 130204372 /nfs/dbraw/zinc/20/43/72/130204372.db2.gz AOEFTMTVZAQPRI-SECBINFHSA-N 0 0 288.325 1.216 20 5 CDBDRN CO[C@@H](C)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191227178 130205901 /nfs/dbraw/zinc/20/59/01/130205901.db2.gz QEFXNGKVVBWBBZ-ZETCQYMHSA-N 0 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CVJFNZZMGOXSSV-OCAPTIKFSA-N 0 0 258.228 1.254 20 5 CDBDRN CCOC(=O)CCCOC(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000795612889 790299197 /nfs/dbraw/zinc/29/91/97/790299197.db2.gz RDHQKFBPNIEXIF-UHFFFAOYSA-N 0 0 299.283 1.380 20 5 CDBDRN COc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ncccc12 ZINC000839728967 790317653 /nfs/dbraw/zinc/31/76/53/790317653.db2.gz TWCKQLPKBHPKCB-MWLCHTKSSA-N 0 0 287.275 1.847 20 5 CDBDRN O=C([O-])CC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001610758525 1165431884 /nfs/dbraw/zinc/43/18/84/1165431884.db2.gz VSNXQIGTMCBGDQ-UHFFFAOYSA-N 0 0 268.244 1.831 20 5 CDBDRN CC(C)C[C@@H](O)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827119041 790361937 /nfs/dbraw/zinc/36/19/37/790361937.db2.gz YQIKLDPJQDHADD-OLZOCXBDSA-N 0 0 296.323 1.151 20 5 CDBDRN Cc1c(C[NH2+][C@@]2(C(=O)[O-])CCSC2)cccc1[N+](=O)[O-] ZINC000871879097 790367831 /nfs/dbraw/zinc/36/78/31/790367831.db2.gz ZCMCWWIWOXJSPK-ZDUSSCGKSA-N 0 0 296.348 1.953 20 5 CDBDRN COCC[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000839811021 790396130 /nfs/dbraw/zinc/39/61/30/790396130.db2.gz QGVOGOFBBROKDI-VIFPVBQESA-N 0 0 295.339 1.888 20 5 CDBDRN Nc1ccc(NC(=O)/C=C\[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000854496908 790420399 /nfs/dbraw/zinc/42/03/99/790420399.db2.gz TYYBTBDDCHDFFM-RZXPJHQTSA-N 0 0 277.280 1.708 20 5 CDBDRN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848086928 790417816 /nfs/dbraw/zinc/41/78/16/790417816.db2.gz OZZAYFJBKAQDIB-NQMVMOMDSA-N 0 0 283.715 1.710 20 5 CDBDRN C[C@@](CO)(Nc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000840273830 790449893 /nfs/dbraw/zinc/44/98/93/790449893.db2.gz FMKXMNUDWYXULZ-NSHDSACASA-N 0 0 255.249 1.702 20 5 CDBDRN O=C1OCC[C@H]1CCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000842570113 790457795 /nfs/dbraw/zinc/45/77/95/790457795.db2.gz CFQXXWOJTHTSNU-MRVPVSSYSA-N 0 0 292.247 1.456 20 5 CDBDRN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000787243818 790545061 /nfs/dbraw/zinc/54/50/61/790545061.db2.gz GDGVFJSTVDNQGK-CYBMUJFWSA-N 0 0 293.323 1.674 20 5 CDBDRN C[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000928249654 790571339 /nfs/dbraw/zinc/57/13/39/790571339.db2.gz ULTOFUXMABZUAL-ZWNOBZJWSA-N 0 0 293.323 1.103 20 5 CDBDRN C[C@H](O)C[C@H]1CCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831425442 790623549 /nfs/dbraw/zinc/62/35/49/790623549.db2.gz GIYZIFBDMRZLTJ-NWDGAFQWSA-N 0 0 286.372 1.974 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000814035536 790626798 /nfs/dbraw/zinc/62/67/98/790626798.db2.gz OMMFAIKXXZDVJA-LURJTMIESA-N 0 0 266.209 1.355 20 5 CDBDRN C[C@@H](Cc1cnn(C)c1)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128934 790688806 /nfs/dbraw/zinc/68/88/06/790688806.db2.gz IICQFSUBYJBRCD-VIFPVBQESA-N 0 0 269.301 1.197 20 5 CDBDRN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC2(CC2)C1 ZINC000833322620 790707947 /nfs/dbraw/zinc/70/79/47/790707947.db2.gz IGJDSDIEYLQCDE-UHFFFAOYSA-N 0 0 290.304 1.836 20 5 CDBDRN Nc1ccc(NC(=O)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000819894026 790710471 /nfs/dbraw/zinc/71/04/71/790710471.db2.gz ZQBIZYRXTDZRJQ-QMMMGPOBSA-N 0 0 265.269 1.542 20 5 CDBDRN O=[N+]([O-])c1ccnn1CN1CCN(c2cccs2)CC1 ZINC000121651807 790748793 /nfs/dbraw/zinc/74/87/93/790748793.db2.gz VNFAFMPVTKMLQQ-UHFFFAOYSA-N 0 0 293.352 1.633 20 5 CDBDRN COC(=O)c1nn(C[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000882286315 790784975 /nfs/dbraw/zinc/78/49/75/790784975.db2.gz FSQRKSPZDIZLBX-SECBINFHSA-N 0 0 295.295 1.680 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1N[C@@H]1C=C[C@H](CO)C1 ZINC000882050295 790800106 /nfs/dbraw/zinc/80/01/06/790800106.db2.gz SQBVJMIHLIYVLX-JGVFFNPUSA-N 0 0 253.233 1.478 20 5 CDBDRN CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H](C)CO ZINC000868582611 790805009 /nfs/dbraw/zinc/80/50/09/790805009.db2.gz HWMMXTLXMGGDPX-VIFPVBQESA-N 0 0 284.287 1.506 20 5 CDBDRN Nc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000006121861 790805100 /nfs/dbraw/zinc/80/51/00/790805100.db2.gz YPNWYYRCCZVWTF-UHFFFAOYSA-N 0 0 289.247 1.545 20 5 CDBDRN Cc1noc(C(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000846652266 790808453 /nfs/dbraw/zinc/80/84/53/790808453.db2.gz LPHBKLSIGPBBCL-UHFFFAOYSA-N 0 0 284.316 1.565 20 5 CDBDRN CC(C)[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CCO1 ZINC000886116864 790814980 /nfs/dbraw/zinc/81/49/80/790814980.db2.gz UDBORRFLJDDSAX-LBPRGKRZSA-N 0 0 265.313 1.847 20 5 CDBDRN C[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000823955825 790818499 /nfs/dbraw/zinc/81/84/99/790818499.db2.gz KKRIQLNCOUUJPK-PRHODGIISA-N 0 0 294.311 1.412 20 5 CDBDRN CC[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000832933173 790827026 /nfs/dbraw/zinc/82/70/26/790827026.db2.gz OAENAHJAOJGHGO-NEPJUHHUSA-N 0 0 282.296 1.169 20 5 CDBDRN CC[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)(C)O ZINC000868580880 790843151 /nfs/dbraw/zinc/84/31/51/790843151.db2.gz AQDIFUQDGIZRDQ-LLVKDONJSA-N 0 0 298.314 1.942 20 5 CDBDRN CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000820695297 790879531 /nfs/dbraw/zinc/87/95/31/790879531.db2.gz KALFCJBJXNWRNS-LEWSCRJBSA-N 0 0 292.335 1.928 20 5 CDBDRN CS[C@@H](CO)[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827076069 790884843 /nfs/dbraw/zinc/88/48/43/790884843.db2.gz ILXXMMBHQNNCCF-IUCAKERBSA-N 0 0 278.374 1.051 20 5 CDBDRN C[C@@H](C(=O)OC(C)(C)C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829842697 790889823 /nfs/dbraw/zinc/88/98/23/790889823.db2.gz QJEAILDOKILGSG-LURJTMIESA-N 0 0 286.244 1.602 20 5 CDBDRN CON(C)C(=O)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000858322625 790892476 /nfs/dbraw/zinc/89/24/76/790892476.db2.gz CXZBVBMVHBYEER-MRVPVSSYSA-N 0 0 285.275 1.232 20 5 CDBDRN CC(C)=CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830935579 790927001 /nfs/dbraw/zinc/92/70/01/790927001.db2.gz LOCDALNZLZGATC-LBPRGKRZSA-N 0 0 264.281 1.711 20 5 CDBDRN CCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000010745927 790946654 /nfs/dbraw/zinc/94/66/54/790946654.db2.gz NDIQOVCINMTVNN-QMMMGPOBSA-N 0 0 266.253 1.875 20 5 CDBDRN COc1ccc(C(=O)CNC(=O)C=C(C)C)cc1[N+](=O)[O-] ZINC000870230092 790976432 /nfs/dbraw/zinc/97/64/32/790976432.db2.gz CPGWMWJDEQJBJP-UHFFFAOYSA-N 0 0 292.291 1.869 20 5 CDBDRN C[C@H](CCO)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845752112 791014945 /nfs/dbraw/zinc/01/49/45/791014945.db2.gz KONNUGVNBYJHMY-MRVPVSSYSA-N 0 0 269.257 1.710 20 5 CDBDRN C[C@H]1OCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@H]1C ZINC000823974059 791039743 /nfs/dbraw/zinc/03/97/43/791039743.db2.gz NPVOTDJFEJUBDW-DTWKUNHWSA-N 0 0 294.311 1.818 20 5 CDBDRN COc1ccc(CNC(=O)[C@H]2CC(C)=NO2)cc1[N+](=O)[O-] ZINC000822965489 791091519 /nfs/dbraw/zinc/09/15/19/791091519.db2.gz KFTHERZVFRUNSQ-GFCCVEGCSA-N 0 0 293.279 1.384 20 5 CDBDRN Cc1ccc2c(c1)CN(Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000795710061 791138770 /nfs/dbraw/zinc/13/87/70/791138770.db2.gz JYOAIYAVNLROJS-UHFFFAOYSA-N 0 0 288.307 1.952 20 5 CDBDRN COC[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])OC ZINC000781387790 791143581 /nfs/dbraw/zinc/14/35/81/791143581.db2.gz NVTUFYRGOLAYHQ-SECBINFHSA-N 0 0 280.284 1.316 20 5 CDBDRN O=C(NCCCC1CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826080272 1166262489 /nfs/dbraw/zinc/26/24/89/1166262489.db2.gz KDOCKSYVNLVLGI-ZDUSSCGKSA-N 0 0 278.308 1.935 20 5 CDBDRN Cc1ccnn1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000859642281 789853177 /nfs/dbraw/zinc/85/31/77/789853177.db2.gz IKMMPVGMVUOZFE-UHFFFAOYSA-N 0 0 288.307 1.459 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOCN1 ZINC000928947651 789855933 /nfs/dbraw/zinc/85/59/33/789855933.db2.gz ZTLKDOQYTCSPRY-UHFFFAOYSA-N 0 0 265.269 1.146 20 5 CDBDRN O=C(NCc1ncccn1)c1cc(F)ccc1[N+](=O)[O-] ZINC000702324825 789857932 /nfs/dbraw/zinc/85/79/32/789857932.db2.gz VBLZTTSJOSSQBJ-UHFFFAOYSA-N 0 0 276.227 1.454 20 5 CDBDRN Cc1cccc(C(=O)OCC(=O)N(C)C)c1[N+](=O)[O-] ZINC000005227940 789863493 /nfs/dbraw/zinc/86/34/93/789863493.db2.gz MVSHMYSVVAFTPK-UHFFFAOYSA-N 0 0 266.253 1.148 20 5 CDBDRN Cc1cc(Cc2noc(C3(N)CC3)n2)ccc1[N+](=O)[O-] ZINC000843191504 789865199 /nfs/dbraw/zinc/86/51/99/789865199.db2.gz HGHUVLSORUGNTK-UHFFFAOYSA-N 0 0 274.280 1.825 20 5 CDBDRN Cc1cc(C(=O)NCC2OCCCO2)cc([N+](=O)[O-])c1 ZINC000716419013 789871819 /nfs/dbraw/zinc/87/18/19/789871819.db2.gz HCPBAQHCPOVUJS-UHFFFAOYSA-N 0 0 280.280 1.396 20 5 CDBDRN CC[C@H](O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813630236 789877726 /nfs/dbraw/zinc/87/77/26/789877726.db2.gz FLZCWLHMEJQIHQ-ZETCQYMHSA-N 0 0 255.230 1.686 20 5 CDBDRN C[C@@H]1CCC(=O)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000885099551 789878928 /nfs/dbraw/zinc/87/89/28/789878928.db2.gz PDDPLXHASDQTBW-MRVPVSSYSA-N 0 0 265.269 1.127 20 5 CDBDRN O=C(NC[C@H]1COCO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000861962094 789892692 /nfs/dbraw/zinc/89/26/92/789892692.db2.gz FZXAKTMVVAPRGR-QMMMGPOBSA-N 0 0 286.671 1.351 20 5 CDBDRN CCCCc1noc([C@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000840672146 789896508 /nfs/dbraw/zinc/89/65/08/789896508.db2.gz DWNJBCVIETYNNV-DJLDLDEBSA-N 0 0 283.284 1.682 20 5 CDBDRN CCS(=O)(CC)=NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000925895459 789901509 /nfs/dbraw/zinc/90/15/09/789901509.db2.gz HTTYVIMAYSMAQE-UHFFFAOYSA-N 0 0 273.314 1.581 20 5 CDBDRN CN(CC[N+](=O)[O-])C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933464690 789912336 /nfs/dbraw/zinc/91/23/36/789912336.db2.gz KVZPBYGEAUZJII-SNVBAGLBSA-N 0 0 273.333 1.204 20 5 CDBDRN NC(=O)CC1(CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000817123054 789918460 /nfs/dbraw/zinc/91/84/60/789918460.db2.gz DAXOXELRDJJRMK-UHFFFAOYSA-N 0 0 289.295 1.310 20 5 CDBDRN CCO[C@@H]1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])[C@@H]1OC ZINC000882186530 789928080 /nfs/dbraw/zinc/92/80/80/789928080.db2.gz DBKDNWUNCHBUAJ-NGZCFLSTSA-N 0 0 285.275 1.733 20 5 CDBDRN C[C@@H](CCCO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000094943479 789950040 /nfs/dbraw/zinc/95/00/40/789950040.db2.gz GCNMASLLQXDYTM-QMMMGPOBSA-N 0 0 270.260 1.625 20 5 CDBDRN CCCNC(=O)CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807918286 789965809 /nfs/dbraw/zinc/96/58/09/789965809.db2.gz KYEFRDGTQMKIKR-UHFFFAOYSA-N 0 0 279.296 1.736 20 5 CDBDRN CC(C)c1cnc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC000841174283 789975146 /nfs/dbraw/zinc/97/51/46/789975146.db2.gz VJMSTSARIFAKJB-HTQZYQBOSA-N 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/nfs/dbraw/zinc/15/14/68/359151468.db2.gz FRLIMBRTASOISA-ZETCQYMHSA-N 0 0 299.258 1.016 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1(O)CCCC1 ZINC000305228776 359157433 /nfs/dbraw/zinc/15/74/33/359157433.db2.gz QFYGIXVGAJTHKG-UHFFFAOYSA-N 0 0 293.323 1.675 20 5 CDBDRN CCOC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000045598183 359157790 /nfs/dbraw/zinc/15/77/90/359157790.db2.gz YSKAYQSFFIQUKJ-UHFFFAOYSA-N 0 0 280.280 1.586 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)ccc1NCCn1cncn1 ZINC000338933188 359236873 /nfs/dbraw/zinc/23/68/73/359236873.db2.gz HEOGZODEISLASF-UHFFFAOYSA-N 0 0 267.676 1.952 20 5 CDBDRN Nc1nc(SC[C@@H]2CCC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000569591774 359252234 /nfs/dbraw/zinc/25/22/34/359252234.db2.gz NBLYHJCKNUPNOZ-HTQZYQBOSA-N 0 0 284.341 1.441 20 5 CDBDRN Cn1c(C(=O)N2CCOC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000569577953 359252349 /nfs/dbraw/zinc/25/23/49/359252349.db2.gz FZNHBKWRZIZAKD-LBPRGKRZSA-N 0 0 293.323 1.574 20 5 CDBDRN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1cncs1 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Cc1nn(C)c(NCCc2cccc(O)c2)c1[N+](=O)[O-] ZINC000112630648 359336485 /nfs/dbraw/zinc/33/64/85/359336485.db2.gz DFWLIKKVBGTFKC-UHFFFAOYSA-N 0 0 276.296 1.997 20 5 CDBDRN CC(C)N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000296642168 199955641 /nfs/dbraw/zinc/95/56/41/199955641.db2.gz WPJUUZOPRIQGCD-UHFFFAOYSA-N 0 0 272.326 1.843 20 5 CDBDRN CC[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000023888201 359432060 /nfs/dbraw/zinc/43/20/60/359432060.db2.gz SVPIWMWSPDDAJB-MRVPVSSYSA-N 0 0 282.325 1.919 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NOCC(C)C ZINC000156449926 237077926 /nfs/dbraw/zinc/07/79/26/237077926.db2.gz PKXFYGPYERJKCA-UHFFFAOYSA-N 0 0 270.289 1.194 20 5 CDBDRN CC(C)(C)C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000227641397 359518853 /nfs/dbraw/zinc/51/88/53/359518853.db2.gz BCNVMYXCYAYZNZ-QMMMGPOBSA-N 0 0 269.301 1.450 20 5 CDBDRN NC(=O)c1ccc(NCCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000108877256 139711936 /nfs/dbraw/zinc/71/19/36/139711936.db2.gz YCKSGWLJCRYJHQ-UHFFFAOYSA-N 0 0 286.291 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ZINC000297366764 200165009 /nfs/dbraw/zinc/16/50/09/200165009.db2.gz CNCKVSVUERLSQG-NSHDSACASA-N 0 0 296.323 1.883 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2cccc(C)n2)c1[N+](=O)[O-] ZINC000354596914 359750048 /nfs/dbraw/zinc/75/00/48/359750048.db2.gz JJEJSJPWDXKVNP-UHFFFAOYSA-N 0 0 261.241 1.582 20 5 CDBDRN CC(C)C[C@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135629419 359792521 /nfs/dbraw/zinc/79/25/21/359792521.db2.gz YDIDTMRYPXYZAA-GFCCVEGCSA-N 0 0 280.324 1.661 20 5 CDBDRN Cc1nc(N[C@H](C)CO[C@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000297511325 200214572 /nfs/dbraw/zinc/21/45/72/200214572.db2.gz NSSBRYRXVYMOKF-SCZZXKLOSA-N 0 0 282.300 1.299 20 5 CDBDRN CCc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCOCC1 ZINC000290499700 366537628 /nfs/dbraw/zinc/53/76/28/366537628.db2.gz DGODPZVWCYOYKD-UHFFFAOYSA-N 0 0 293.323 1.428 20 5 CDBDRN C[C@H](CO)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297678659 200260368 /nfs/dbraw/zinc/26/03/68/200260368.db2.gz POEIWTPFEPLEJK-BDAKNGLRSA-N 0 0 267.285 1.336 20 5 CDBDRN O=[N+]([O-])c1ccn(C[C@@H](O)COc2ccc(F)cc2)n1 ZINC000270182296 359916356 /nfs/dbraw/zinc/91/63/56/359916356.db2.gz XCKCJGDHXWIQAO-SNVBAGLBSA-N 0 0 281.243 1.370 20 5 CDBDRN Cc1ccc(NC(=O)[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000270236911 359935241 /nfs/dbraw/zinc/93/52/41/359935241.db2.gz QBNOLIGRBCKEPD-SNVBAGLBSA-N 0 0 277.280 1.510 20 5 CDBDRN CC(=O)c1cc(N(C)[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000342716945 359968633 /nfs/dbraw/zinc/96/86/33/359968633.db2.gz BEKOCJUEGPAKBT-GFCCVEGCSA-N 0 0 277.280 1.122 20 5 CDBDRN Nc1c([N+](=O)[O-])cnn1Cc1noc(C2CCCCC2)n1 ZINC000161006547 359977468 /nfs/dbraw/zinc/97/74/68/359977468.db2.gz FLNSIDDLPINAMH-UHFFFAOYSA-N 0 0 292.299 1.853 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000562470848 360002888 /nfs/dbraw/zinc/00/28/88/360002888.db2.gz VMDNGIINWVGJJL-WDEREUQCSA-N 0 0 290.279 1.378 20 5 CDBDRN CCO[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562540112 360111179 /nfs/dbraw/zinc/11/11/79/360111179.db2.gz 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CC(C)N1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1=O ZINC000177523189 189054973 /nfs/dbraw/zinc/05/49/73/189054973.db2.gz ZPNCKSDVIHZAGJ-LBPRGKRZSA-N 0 0 264.281 1.983 20 5 CDBDRN CC(C)N1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C=O)C1=O ZINC000177536070 189055436 /nfs/dbraw/zinc/05/54/36/189055436.db2.gz DUACZYFCTCMYPQ-CYBMUJFWSA-N 0 0 292.291 1.795 20 5 CDBDRN CC[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000275050771 192893565 /nfs/dbraw/zinc/89/35/65/192893565.db2.gz VPEMXBBCTNMYSQ-VIFPVBQESA-N 0 0 263.253 1.076 20 5 CDBDRN CN(c1nc2sccn2c1[N+](=O)[O-])C1CC(O)C1 ZINC000353269449 360468719 /nfs/dbraw/zinc/46/87/19/360468719.db2.gz TZEHNIWAKDFGIU-UHFFFAOYSA-N 0 0 268.298 1.264 20 5 CDBDRN CS[C@H]1CCCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000128211805 219829052 /nfs/dbraw/zinc/82/90/52/219829052.db2.gz WFPAUIPRTUZKSI-VIFPVBQESA-N 0 0 298.368 1.686 20 5 CDBDRN Cc1cc(NCC2(CO)CCOCC2)ncc1[N+](=O)[O-] ZINC000178652961 189134580 /nfs/dbraw/zinc/13/45/80/189134580.db2.gz XFTNCTQMVKOPRK-UHFFFAOYSA-N 0 0 281.312 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ZINC000162229495 375297819 /nfs/dbraw/zinc/29/78/19/375297819.db2.gz YIAXGYZQHBELOH-UHFFFAOYSA-N 0 0 264.281 1.911 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1ccnc1 ZINC000048393232 375299251 /nfs/dbraw/zinc/29/92/51/375299251.db2.gz VQKHTQHVXGJXNI-UHFFFAOYSA-N 0 0 260.253 1.738 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CC[C@@H]1C ZINC000162238412 375299247 /nfs/dbraw/zinc/29/92/47/375299247.db2.gz ISCIMJBOZWZPCU-AOOOYVTPSA-N 0 0 280.328 1.889 20 5 CDBDRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000303117722 375299481 /nfs/dbraw/zinc/29/94/81/375299481.db2.gz WJNQFBIDRYUCCV-GJZGRUSLSA-N 0 0 298.298 1.983 20 5 CDBDRN CCOC(=O)C1(CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000351583083 375309547 /nfs/dbraw/zinc/30/95/47/375309547.db2.gz GXVVFGKKBOJXMU-UHFFFAOYSA-N 0 0 279.296 1.475 20 5 CDBDRN O=C(Nc1ccc2[nH]cnc2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351639461 375314903 /nfs/dbraw/zinc/31/49/03/375314903.db2.gz BTLSZVSCKPSEQZ-UHFFFAOYSA-N 0 0 272.224 1.447 20 5 CDBDRN O=[N+]([O-])c1cn(Cc2nnc(-c3ccccc3)o2)cn1 ZINC000029210763 375392647 /nfs/dbraw/zinc/39/26/47/375392647.db2.gz LXTGLPOGTOURHH-UHFFFAOYSA-N 0 0 271.236 1.890 20 5 CDBDRN C[C@@H](O)[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000162650858 375393849 /nfs/dbraw/zinc/39/38/49/375393849.db2.gz AITHZFKUPGMKMQ-SFYZADRCSA-N 0 0 282.325 1.511 20 5 CDBDRN Cc1c(C[N@H+]2C[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795634 375330244 /nfs/dbraw/zinc/33/02/44/375330244.db2.gz OCGROWQYHJWIAX-NOZJJQNGSA-N 0 0 250.298 1.716 20 5 CDBDRN COc1cc(C(=O)N2C[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000351863596 375336935 /nfs/dbraw/zinc/33/69/35/375336935.db2.gz QPGARCHQWUXPMJ-LDYMZIIASA-N 0 0 280.280 1.056 20 5 CDBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000131805716 375352000 /nfs/dbraw/zinc/35/20/00/375352000.db2.gz MWOFQJCLZGTJGO-SECBINFHSA-N 0 0 279.296 1.061 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC1=O ZINC000356954418 375358421 /nfs/dbraw/zinc/35/84/21/375358421.db2.gz IVLCEEZVLZXQJX-JTQLQIEISA-N 0 0 294.282 1.762 20 5 CDBDRN C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CO1 ZINC000493483212 375458680 /nfs/dbraw/zinc/45/86/80/375458680.db2.gz NVAIRPGDIACDNH-TTXFHXEYSA-N 0 0 276.292 1.902 20 5 CDBDRN Cc1nc(N[C@H]2CC[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC000296298635 375462493 /nfs/dbraw/zinc/46/24/93/375462493.db2.gz MMHKBHLOXNROJC-BDAKNGLRSA-N 0 0 252.274 1.266 20 5 CDBDRN Cn1cncc1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493570246 375465115 /nfs/dbraw/zinc/46/51/15/375465115.db2.gz YHGKQBORXXUOAE-WAYWQWQTSA-N 0 0 286.291 1.658 20 5 CDBDRN Cc1occc1CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000049225112 375419975 /nfs/dbraw/zinc/41/99/75/375419975.db2.gz MRYBCHFTLCLQOP-UHFFFAOYSA-N 0 0 278.268 1.351 20 5 CDBDRN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[C@H]1O ZINC000493400438 375450271 /nfs/dbraw/zinc/45/02/71/375450271.db2.gz JJTKSFTZNLNSIT-HHQZKXIDSA-N 0 0 294.282 1.777 20 5 CDBDRN CCCN(CC(N)=O)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493399882 375450433 /nfs/dbraw/zinc/45/04/33/375450433.db2.gz YPJHFHAELHXVNC-VMPITWQZSA-N 0 0 291.307 1.332 20 5 CDBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)[C@@H](C)CO ZINC000293965127 375534879 /nfs/dbraw/zinc/53/48/79/375534879.db2.gz LMOKXLRKYYDNGB-JTQLQIEISA-N 0 0 296.323 1.836 20 5 CDBDRN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000230217947 375538136 /nfs/dbraw/zinc/53/81/36/375538136.db2.gz URHIBUMBSRZSBO-VIFPVBQESA-N 0 0 293.323 1.921 20 5 CDBDRN CCO[C@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000353258075 375592202 /nfs/dbraw/zinc/59/22/02/375592202.db2.gz CLGABFNIVXVDJW-JQWIXIFHSA-N 0 0 281.312 1.904 20 5 CDBDRN Cn1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000352862563 375546487 /nfs/dbraw/zinc/54/64/87/375546487.db2.gz OSHXKVXFKXJBJX-UHFFFAOYSA-N 0 0 295.320 1.412 20 5 CDBDRN C[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCOC1 ZINC000353592916 375629804 /nfs/dbraw/zinc/62/98/04/375629804.db2.gz UDEORTGFQLHELE-LLVKDONJSA-N 0 0 270.310 1.813 20 5 CDBDRN COC(=O)c1cc(C)nc(NC2CCOCC2)c1[N+](=O)[O-] 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CDBDRN CC[C@@H](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)OC ZINC000294104090 375672875 /nfs/dbraw/zinc/67/28/75/375672875.db2.gz CGKGALMLSXTOQL-BXKDBHETSA-N 0 0 295.339 1.968 20 5 CDBDRN Cc1ocnc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000604490241 375677787 /nfs/dbraw/zinc/67/77/87/375677787.db2.gz GVULGVFKLLWWQQ-UHFFFAOYSA-N 0 0 261.237 1.821 20 5 CDBDRN C[C@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCOC1 ZINC000354155455 375680900 /nfs/dbraw/zinc/68/09/00/375680900.db2.gz MSZMNAQSKDLLGD-CQSZACIVSA-N 0 0 293.323 1.550 20 5 CDBDRN COc1nc(C)cc(NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000354560886 375725325 /nfs/dbraw/zinc/72/53/25/375725325.db2.gz DYDNKBTUOGQBMN-UHFFFAOYSA-N 0 0 288.307 1.778 20 5 CDBDRN NC(=O)OCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000495983602 375698496 /nfs/dbraw/zinc/69/84/96/375698496.db2.gz RLHASZAGAJUPOP-WDEREUQCSA-N 0 0 293.279 1.324 20 5 CDBDRN C[C@H](COC(=O)[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496000875 375700415 /nfs/dbraw/zinc/70/04/15/375700415.db2.gz CRXLMKKHDMJRQT-SFYZADRCSA-N 0 0 276.289 1.108 20 5 CDBDRN COC[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000354390127 375704984 /nfs/dbraw/zinc/70/49/84/375704984.db2.gz QEXREWBWLLNALH-SNVBAGLBSA-N 0 0 282.296 1.515 20 5 CDBDRN CCOC(=O)NCC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000496099905 375712588 /nfs/dbraw/zinc/71/25/88/375712588.db2.gz BEEMYEKYZQVENX-UHFFFAOYSA-N 0 0 288.281 1.446 20 5 CDBDRN CCOC(=O)NOCCOc1ccc([N+](=O)[O-])cc1 ZINC000496327451 375737302 /nfs/dbraw/zinc/73/73/02/375737302.db2.gz QKWHHFXJKDRTSS-UHFFFAOYSA-N 0 0 270.241 1.651 20 5 CDBDRN Cc1cccnc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000355188681 375781679 /nfs/dbraw/zinc/78/16/79/375781679.db2.gz OFIPNJDQCAWVNL-UHFFFAOYSA-N 0 0 274.280 1.567 20 5 CDBDRN O=C(N[C@H]1CCSC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000231568387 375783230 /nfs/dbraw/zinc/78/32/30/375783230.db2.gz FKBYPYRFRXCGGC-QMMMGPOBSA-N 0 0 270.285 1.969 20 5 CDBDRN COc1ccc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c([N+](=O)[O-])c1 ZINC000355294592 375787817 /nfs/dbraw/zinc/78/78/17/375787817.db2.gz AWGXQOCKXRRUFA-OASPWFOLSA-N 0 0 292.291 1.967 20 5 CDBDRN O=C(NC[C@H]1CCOC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000228624483 375788394 /nfs/dbraw/zinc/78/83/94/375788394.db2.gz JKRMQJAELMCTTF-SSDOTTSWSA-N 0 0 286.234 1.639 20 5 CDBDRN Cc1n[nH]c(C(=O)N(CC[NH+](C)C)CC(C)C)c1[N+](=O)[O-] ZINC000355343569 375792386 /nfs/dbraw/zinc/79/23/86/375792386.db2.gz ZBXMTIMIRXULEJ-UHFFFAOYSA-N 0 0 297.359 1.286 20 5 CDBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C)cc1OC ZINC000031777147 375827616 /nfs/dbraw/zinc/82/76/16/375827616.db2.gz UWJWOMYSNAZOBY-UHFFFAOYSA-N 0 0 268.269 1.704 20 5 CDBDRN CC[C@@H](CCO)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000133787785 375832468 /nfs/dbraw/zinc/83/24/68/375832468.db2.gz ICVWJEKHQRJQJE-VIFPVBQESA-N 0 0 252.270 1.486 20 5 CDBDRN CC(=O)c1ccc(Sc2nnc(C)n2N)c([N+](=O)[O-])c1 ZINC000048399160 375861526 /nfs/dbraw/zinc/86/15/26/375861526.db2.gz UEGOLLVOIDLYLV-UHFFFAOYSA-N 0 0 293.308 1.562 20 5 CDBDRN C[C@H]1CC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357220660 375892897 /nfs/dbraw/zinc/89/28/97/375892897.db2.gz RJWDKOHYWCHNHL-CPCISQLKSA-N 0 0 295.270 1.587 20 5 CDBDRN CC[C@H](C)[C@@](C)(O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357269288 375927253 /nfs/dbraw/zinc/92/72/53/375927253.db2.gz ZQUXBMCBBKAKCP-SDBXPKJASA-N 0 0 296.327 1.298 20 5 CDBDRN CC(C)CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000358028232 375946377 /nfs/dbraw/zinc/94/63/77/375946377.db2.gz DQLYGVBXKOXPTJ-SNVBAGLBSA-N 0 0 296.327 1.215 20 5 CDBDRN O=C(NCC1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000194660123 375947552 /nfs/dbraw/zinc/94/75/52/375947552.db2.gz DRWVOVYSQCUUOZ-UHFFFAOYSA-N 0 0 282.271 1.890 20 5 CDBDRN C[C@@H]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000358044562 375948635 /nfs/dbraw/zinc/94/86/35/375948635.db2.gz JADDVTHTFCVUQK-HTQZYQBOSA-N 0 0 252.274 1.484 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](O)CC1 ZINC000294244694 376007179 /nfs/dbraw/zinc/00/71/79/376007179.db2.gz BCTFAVYNIHVYGJ-ZDUSSCGKSA-N 0 0 278.308 1.511 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC(=O)N[C@@H](C)C1 ZINC000296394080 376085494 /nfs/dbraw/zinc/08/54/94/376085494.db2.gz YZQNMCQGWHTJOB-QWRGUYRKSA-N 0 0 277.324 1.785 20 5 CDBDRN COc1cccc(N2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000347490593 376315042 /nfs/dbraw/zinc/31/50/42/376315042.db2.gz JPWYPOJONCFSNF-WPRPVWTQSA-N 0 0 252.270 1.420 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc2nncn21 ZINC000431580350 247811871 /nfs/dbraw/zinc/81/18/71/247811871.db2.gz UHVFFEOOTAPJFQ-UHFFFAOYSA-N 0 0 298.262 1.593 20 5 CDBDRN CCC[C@H](OC)c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000296629360 376612129 /nfs/dbraw/zinc/61/21/29/376612129.db2.gz ZVHDJBAUGYHCFG-VIFPVBQESA-N 0 0 281.272 1.710 20 5 CDBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000171501936 376723436 /nfs/dbraw/zinc/72/34/36/376723436.db2.gz XIGIHKSYUYUSTH-UHFFFAOYSA-N 0 0 275.268 1.239 20 5 CDBDRN COc1cccc(C(=O)NC[C@@]2(C)CCOC2)c1[N+](=O)[O-] ZINC000435871387 248203466 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ZINC000172366206 377486376 /nfs/dbraw/zinc/48/63/76/377486376.db2.gz JQTRRUOWXHDTRU-VIFPVBQESA-N 0 0 297.311 1.861 20 5 CDBDRN CO[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000487107108 377490633 /nfs/dbraw/zinc/49/06/33/377490633.db2.gz JAOXHOSIVQXYNK-VXGBXAGGSA-N 0 0 252.270 1.445 20 5 CDBDRN CCCC[C@@H](COC)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172457050 377547514 /nfs/dbraw/zinc/54/75/14/377547514.db2.gz IYOSNLAOEGHAEV-JTQLQIEISA-N 0 0 284.316 1.113 20 5 CDBDRN C[C@H]1CSCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172591408 377629968 /nfs/dbraw/zinc/62/99/68/377629968.db2.gz OURWKKFYAUSMDT-VIFPVBQESA-N 0 0 295.364 1.631 20 5 CDBDRN CC1(C)[C@H](O)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000129551120 377664728 /nfs/dbraw/zinc/66/47/28/377664728.db2.gz XIRPPGHIYDVWEW-VXGBXAGGSA-N 0 0 278.308 1.413 20 5 CDBDRN O=[N+]([O-])c1cnn(CCSc2ncccn2)c1 ZINC000172683094 377694602 /nfs/dbraw/zinc/69/46/02/377694602.db2.gz DVCHCFNHQFNQPZ-UHFFFAOYSA-N 0 0 251.271 1.374 20 5 CDBDRN 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NC(=O)CCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000278990816 194242496 /nfs/dbraw/zinc/24/24/96/194242496.db2.gz JJRBXQXBRDHMTK-UHFFFAOYSA-N 0 0 277.280 1.140 20 5 CDBDRN Cc1cccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000267033471 379623364 /nfs/dbraw/zinc/62/33/64/379623364.db2.gz BNAQRXMZSIBNCP-WDEREUQCSA-N 0 0 276.292 1.570 20 5 CDBDRN O=C1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]2N1 ZINC000246807548 379667344 /nfs/dbraw/zinc/66/73/44/379667344.db2.gz YLUXOHXPEHIAOT-ZIAGYGMSSA-N 0 0 289.335 1.838 20 5 CDBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3C[C@@H](O)C3)cc2N1 ZINC000295448833 284818037 /nfs/dbraw/zinc/81/80/37/284818037.db2.gz WHNOWWCWRDRSNP-DTORHVGOSA-N 0 0 277.280 1.415 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CC(=O)N(C2CC2)C1 ZINC000279082874 194275387 /nfs/dbraw/zinc/27/53/87/194275387.db2.gz AWRDHPKHIFEORR-UHFFFAOYSA-N 0 0 281.293 1.061 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000458254551 252542702 /nfs/dbraw/zinc/54/27/02/252542702.db2.gz 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COc1cc(N2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280222815 194754482 /nfs/dbraw/zinc/75/44/82/194754482.db2.gz LAVRDNOOZCKZPT-ZDUSSCGKSA-N 0 0 279.296 1.305 20 5 CDBDRN Cc1cn(CC(=O)N(C(C)C)C(C)C)nc1[N+](=O)[O-] ZINC000281089044 195098829 /nfs/dbraw/zinc/09/88/29/195098829.db2.gz CWXXUGJZJVAQPM-UHFFFAOYSA-N 0 0 268.317 1.745 20 5 CDBDRN C[C@H]1C[C@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000489952163 253019478 /nfs/dbraw/zinc/01/94/78/253019478.db2.gz IHKGKAJLNKVVLE-UWVGGRQHSA-N 0 0 281.316 1.231 20 5 CDBDRN Cn1cc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000490576759 253041417 /nfs/dbraw/zinc/04/14/17/253041417.db2.gz OGWAQVBELVNEAP-WAYWQWQTSA-N 0 0 272.264 1.980 20 5 CDBDRN Cn1ccc(=NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000491290864 253073741 /nfs/dbraw/zinc/07/37/41/253073741.db2.gz JBUZKAFWQKMVMH-HYXAFXHYSA-N 0 0 290.254 1.541 20 5 CDBDRN CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1=O ZINC000491325026 253075149 /nfs/dbraw/zinc/07/51/49/253075149.db2.gz YNBNODZSZNMZBA-SNVBAGLBSA-N 0 0 293.323 1.660 20 5 CDBDRN O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCc2n[nH]nc2C1 ZINC000491934493 253122718 /nfs/dbraw/zinc/12/27/18/253122718.db2.gz VOAXRCWPBUOFPP-AATRIKPKSA-N 0 0 299.290 1.311 20 5 CDBDRN COC(=O)c1ccc(O[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000281125231 195114571 /nfs/dbraw/zinc/11/45/71/195114571.db2.gz ILKZSOLUPDUSOB-VIFPVBQESA-N 0 0 267.237 1.549 20 5 CDBDRN O=C(C=Cc1c[nH]cn1)NCCc1cccc([N+](=O)[O-])c1 ZINC000492859188 253310320 /nfs/dbraw/zinc/31/03/20/253310320.db2.gz GDPZIYCMGRBZPE-SNAWJCMRSA-N 0 0 286.291 1.690 20 5 CDBDRN CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000493014918 253347368 /nfs/dbraw/zinc/34/73/68/253347368.db2.gz FFVWNECGOBHMPS-VMPITWQZSA-N 0 0 276.292 1.855 20 5 CDBDRN O=C(/C=C/[C@@H]1CCOC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000492967204 253336707 /nfs/dbraw/zinc/33/67/07/253336707.db2.gz YAIAXNYBBKJVFO-VUUYWXRKSA-N 0 0 290.319 1.846 20 5 CDBDRN CN(C(=O)/C=C/C1CCOCC1)c1ccc([N+](=O)[O-])nc1 ZINC000493090745 253367979 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CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000172701605 391971215 /nfs/dbraw/zinc/97/12/15/391971215.db2.gz WCEZKPJFIJFGQL-UHFFFAOYSA-N 0 0 264.281 1.985 20 5 CDBDRN CCNC(=O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000225652218 391974950 /nfs/dbraw/zinc/97/49/50/391974950.db2.gz SKWPTFUQBXGRGM-UHFFFAOYSA-N 0 0 259.212 1.421 20 5 CDBDRN COC[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000286601960 285466363 /nfs/dbraw/zinc/46/63/63/285466363.db2.gz ILQRUHQLIUXKIW-VHSXEESVSA-N 0 0 284.287 1.974 20 5 CDBDRN C[C@H]1CCS(=O)(=O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000192089777 392033635 /nfs/dbraw/zinc/03/36/35/392033635.db2.gz ZXIZWVDHSXJWRJ-NSHDSACASA-N 0 0 298.364 1.604 20 5 CDBDRN Cc1ccc(C(=O)Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC000184398469 392117432 /nfs/dbraw/zinc/11/74/32/392117432.db2.gz VEBRICCWQQHQFZ-UHFFFAOYSA-N 0 0 260.253 1.889 20 5 CDBDRN Cc1cccc(C(=O)NCCC[C@H](C)O)c1[N+](=O)[O-] ZINC000228659022 130872369 /nfs/dbraw/zinc/87/23/69/130872369.db2.gz CVWPMMPSMKVTQL-JTQLQIEISA-N 0 0 266.297 1.794 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@]2(O)CCOC2)c(Cl)c1 ZINC000229623220 130883614 /nfs/dbraw/zinc/88/36/14/130883614.db2.gz WEQDWPYRYOULFI-SNVBAGLBSA-N 0 0 273.676 1.207 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)O1 ZINC000347810702 392312378 /nfs/dbraw/zinc/31/23/78/392312378.db2.gz PLZLFBCJZRJKNR-PSASIEDQSA-N 0 0 267.285 1.562 20 5 CDBDRN Cc1ccc(NC[C@@H]2CCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC000212623626 140159225 /nfs/dbraw/zinc/15/92/25/140159225.db2.gz WHNWOIPYPGUTCI-JTQLQIEISA-N 0 0 284.337 1.892 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)[C@H](CO)C1 ZINC000192910810 392381705 /nfs/dbraw/zinc/38/17/05/392381705.db2.gz LAZBGLORGYIBLA-SCZZXKLOSA-N 0 0 268.317 1.184 20 5 CDBDRN Cc1nn(C)c(C(=O)N2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263693966 131310388 /nfs/dbraw/zinc/31/03/88/131310388.db2.gz IWQZTIXXCULLQZ-ZETCQYMHSA-N 0 0 252.274 1.119 20 5 CDBDRN Cc1cc(C(=O)NC[C@@H]2CCOC2)c(N)c([N+](=O)[O-])c1 ZINC000263905322 131357198 /nfs/dbraw/zinc/35/71/98/131357198.db2.gz GBTNSMYYAPBTOV-VIFPVBQESA-N 0 0 279.296 1.252 20 5 CDBDRN COCC[C@@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000263983166 131372757 /nfs/dbraw/zinc/37/27/57/131372757.db2.gz LMNGMGSBSNPKMV-SECBINFHSA-N 0 0 298.343 1.339 20 5 CDBDRN C[NH+](C)CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459553609 392465709 /nfs/dbraw/zinc/46/57/09/392465709.db2.gz YPRICMYUJNBJKO-UHFFFAOYSA-N 0 0 294.355 1.124 20 5 CDBDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000459479076 392442737 /nfs/dbraw/zinc/44/27/37/392442737.db2.gz JPCKOLQCRHTXEN-DGCLKSJQSA-N 0 0 278.312 1.968 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(N)=O)C2)c1 ZINC000264689297 131487970 /nfs/dbraw/zinc/48/79/70/131487970.db2.gz YVUOEKOKIABEHO-VIFPVBQESA-N 0 0 279.296 1.305 20 5 CDBDRN CC[C@@H]1C(=O)N(CC)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000548620667 392493443 /nfs/dbraw/zinc/49/34/43/392493443.db2.gz JPYXAQFMMDPIDA-LLVKDONJSA-N 0 0 292.339 1.745 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCSC1 ZINC000266530890 131746347 /nfs/dbraw/zinc/74/63/47/131746347.db2.gz YLSFAXMMESCKPS-SNVBAGLBSA-N 0 0 266.322 1.759 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCS(C)(=O)=O)c1 ZINC000094659423 392759904 /nfs/dbraw/zinc/75/99/04/392759904.db2.gz PCMLIRJYFLOAKS-UHFFFAOYSA-N 0 0 258.299 1.360 20 5 CDBDRN Cc1cc(NCc2nnc3n2CCCC3)ncc1[N+](=O)[O-] ZINC000266854573 131787754 /nfs/dbraw/zinc/78/77/54/131787754.db2.gz SNFZJNRCUDPRRD-UHFFFAOYSA-N 0 0 288.311 1.838 20 5 CDBDRN CSC[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000274044799 392770037 /nfs/dbraw/zinc/77/00/37/392770037.db2.gz YDOPTVPJIHAKIP-MRVPVSSYSA-N 0 0 254.315 1.717 20 5 CDBDRN Cc1cc(N(C)C[C@@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000267285791 131849347 /nfs/dbraw/zinc/84/93/47/131849347.db2.gz PXVWFRSHZMJBSQ-JTQLQIEISA-N 0 0 251.286 1.771 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN(C)C ZINC000194666428 392842067 /nfs/dbraw/zinc/84/20/67/392842067.db2.gz BMNYRENMEYFCGH-UHFFFAOYSA-N 0 0 251.286 1.712 20 5 CDBDRN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC1CC1 ZINC000130536796 392914619 /nfs/dbraw/zinc/91/46/19/392914619.db2.gz WWVASDHBBRMWHF-UHFFFAOYSA-N 0 0 261.237 1.822 20 5 CDBDRN CCN(CCOC)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268104807 131958985 /nfs/dbraw/zinc/95/89/85/131958985.db2.gz GKWZLWKMKVCQNN-UHFFFAOYSA-N 0 0 270.260 1.842 20 5 CDBDRN O=C(COC1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000522670605 392880305 /nfs/dbraw/zinc/88/03/05/392880305.db2.gz XRKLFSXLUYCQID-UHFFFAOYSA-N 0 0 294.307 1.407 20 5 CDBDRN CC(C)N(C[C@H](O)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421100196 392927866 /nfs/dbraw/zinc/92/78/66/392927866.db2.gz PVUBHQSUENZIDY-LBPRGKRZSA-N 0 0 297.311 1.190 20 5 CDBDRN COc1ccc(OC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000421188557 392929388 /nfs/dbraw/zinc/92/93/88/392929388.db2.gz WTBSGKJSCNDELY-DTORHVGOSA-N 0 0 253.254 1.753 20 5 CDBDRN O=C(NC[C@@H](O)C1CC1)c1csc([N+](=O)[O-])c1 ZINC000268420929 132006720 /nfs/dbraw/zinc/00/67/20/132006720.db2.gz QHXULDIRLNCNJS-MRVPVSSYSA-N 0 0 256.283 1.157 20 5 CDBDRN Cc1noc(CCCOc2cccnc2[N+](=O)[O-])n1 ZINC000268587842 132031132 /nfs/dbraw/zinc/03/11/32/132031132.db2.gz FDOQHUDVYQDENW-UHFFFAOYSA-N 0 0 264.241 1.693 20 5 CDBDRN C[C@H](CCCO)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268637619 132040673 /nfs/dbraw/zinc/04/06/73/132040673.db2.gz GLXRMVSWOKUAES-SSDOTTSWSA-N 0 0 258.299 1.547 20 5 CDBDRN CC(C)[C@@H](O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000268666281 132044732 /nfs/dbraw/zinc/04/47/32/132044732.db2.gz RFXJAKNCTVZUGS-ZDUSSCGKSA-N 0 0 295.339 1.530 20 5 CDBDRN COCCC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000269109505 132113587 /nfs/dbraw/zinc/11/35/87/132113587.db2.gz AQLVSJXGVIXFCX-UHFFFAOYSA-N 0 0 267.285 1.469 20 5 CDBDRN Cc1cc(C(=O)NCC2(CC(N)=O)CC2)cc([N+](=O)[O-])c1 ZINC000421613462 392940500 /nfs/dbraw/zinc/94/05/00/392940500.db2.gz IODAUCOYICNZKI-UHFFFAOYSA-N 0 0 291.307 1.289 20 5 CDBDRN COC(=O)C[C@@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000269387981 132164009 /nfs/dbraw/zinc/16/40/09/132164009.db2.gz QQRSWSHQVZLIQL-MRVPVSSYSA-N 0 0 296.279 1.285 20 5 CDBDRN CNc1nc(C(=O)N2C[C@H](O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000422030731 392950543 /nfs/dbraw/zinc/95/05/43/392950543.db2.gz JRIICZGVDBHMLT-DTWKUNHWSA-N 0 0 294.311 1.017 20 5 CDBDRN C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000368891451 392946538 /nfs/dbraw/zinc/94/65/38/392946538.db2.gz FICWFBAWUWSBNG-CQSZACIVSA-N 0 0 291.351 1.738 20 5 CDBDRN C[C@](O)(CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000313885433 392956981 /nfs/dbraw/zinc/95/69/81/392956981.db2.gz ODEQZZQRLXKCNU-AJHXJQRKSA-N 0 0 290.319 1.885 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)c1coc(C2CCC2)n1 ZINC000194899730 393004721 /nfs/dbraw/zinc/00/47/21/393004721.db2.gz NGDVCATZARVZCR-UHFFFAOYSA-N 0 0 291.267 1.836 20 5 CDBDRN CCc1nn(C)c(NC[C@@H]2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000425268690 393010331 /nfs/dbraw/zinc/01/03/31/393010331.db2.gz QSDAUNLQGXYPTF-SECBINFHSA-N 0 0 295.343 1.171 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC(O)(C(F)F)C2)c2ccncc21 ZINC000425277795 393013962 /nfs/dbraw/zinc/01/39/62/393013962.db2.gz RVDIOYBPJRVUKT-UHFFFAOYSA-N 0 0 295.245 1.959 20 5 CDBDRN Cc1nc(N2CCC[C@@H](n3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000425279995 393015238 /nfs/dbraw/zinc/01/52/38/393015238.db2.gz MUNBDIGMSGEVDH-LLVKDONJSA-N 0 0 288.311 1.731 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425280740 393015667 /nfs/dbraw/zinc/01/56/67/393015667.db2.gz IKRINKBBLLZPQC-SECBINFHSA-N 0 0 291.315 1.232 20 5 CDBDRN CN(C)C(=O)CCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195049747 393049796 /nfs/dbraw/zinc/04/97/96/393049796.db2.gz GZEDDONXEVHRNV-UHFFFAOYSA-N 0 0 266.301 1.537 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CC([C@H]2CCOC2)C1 ZINC000377088128 393080138 /nfs/dbraw/zinc/08/01/38/393080138.db2.gz AJZWKUKBGNKCSW-JTQLQIEISA-N 0 0 263.297 1.771 20 5 CDBDRN CCNC(=O)C1(CNc2ncc([N+](=O)[O-])s2)CCC1 ZINC000281978995 393165367 /nfs/dbraw/zinc/16/53/67/393165367.db2.gz RZKTVQZHLMWWIF-UHFFFAOYSA-N 0 0 284.341 1.770 20 5 CDBDRN COC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000276126082 393115248 /nfs/dbraw/zinc/11/52/48/393115248.db2.gz ZIQCOYUFCIFUIG-QWRGUYRKSA-N 0 0 281.312 1.538 20 5 CDBDRN COC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000276126079 393115484 /nfs/dbraw/zinc/11/54/84/393115484.db2.gz ZIQCOYUFCIFUIG-MNOVXSKESA-N 0 0 281.312 1.538 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(O)CCC1 ZINC000448677533 393123931 /nfs/dbraw/zinc/12/39/31/393123931.db2.gz YLGYBBYMJVUFRI-UHFFFAOYSA-N 0 0 278.308 1.858 20 5 CDBDRN [NH3+]CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)F ZINC000449620958 393135402 /nfs/dbraw/zinc/13/54/02/393135402.db2.gz GNHVBXQDPATIPB-SSDOTTSWSA-N 0 0 289.238 1.013 20 5 CDBDRN CCOCCN(C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000281836783 393159544 /nfs/dbraw/zinc/15/95/44/393159544.db2.gz XOADBOQPJMZRQK-UHFFFAOYSA-N 0 0 296.323 1.777 20 5 CDBDRN COCC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000281922505 393163725 /nfs/dbraw/zinc/16/37/25/393163725.db2.gz QZKVMVUCWKQYKJ-LLVKDONJSA-N 0 0 254.286 1.713 20 5 CDBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H](CO)C1CC1 ZINC000493814941 393222005 /nfs/dbraw/zinc/22/20/05/393222005.db2.gz DXGJRCDASTVQIE-WSROAFLRSA-N 0 0 290.319 1.743 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCOC2(CCOCC2)C1 ZINC000493893947 393224507 /nfs/dbraw/zinc/22/45/07/393224507.db2.gz KHVGWJZYQUAQIS-JTQLQIEISA-N 0 0 296.327 1.468 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CC1 ZINC000030331999 393235642 /nfs/dbraw/zinc/23/56/42/393235642.db2.gz XBZPWLURRXHLQW-UHFFFAOYSA-N 0 0 270.310 1.592 20 5 CDBDRN C[C@H]1C[C@@H](O)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000350686509 393201533 /nfs/dbraw/zinc/20/15/33/393201533.db2.gz WPOBUBCOGAZASF-GZMMTYOYSA-N 0 0 290.279 1.604 20 5 CDBDRN Cc1ccnc(N[C@@H]2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000302793670 393201673 /nfs/dbraw/zinc/20/16/73/393201673.db2.gz ZXWKGBAUDRTJSR-SECBINFHSA-N 0 0 264.285 1.331 20 5 CDBDRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cn[nH]c1 ZINC000132348906 393214469 /nfs/dbraw/zinc/21/44/69/393214469.db2.gz KKBYSBALVANKMB-UHFFFAOYSA-N 0 0 282.281 1.143 20 5 CDBDRN C[C@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000487861114 393270578 /nfs/dbraw/zinc/27/05/78/393270578.db2.gz QPZJZIFNLHPNNC-SECBINFHSA-N 0 0 275.264 1.944 20 5 CDBDRN CCOCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000049423617 139621052 /nfs/dbraw/zinc/62/10/52/139621052.db2.gz KHBNOQFGAULHIB-UHFFFAOYSA-N 0 0 267.285 1.159 20 5 CDBDRN CC(=O)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000068195439 139637144 /nfs/dbraw/zinc/63/71/44/139637144.db2.gz XREKGJPWWIRXCH-MRVPVSSYSA-N 0 0 265.269 1.366 20 5 CDBDRN COC[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122280858 139776595 /nfs/dbraw/zinc/77/65/95/139776595.db2.gz ZVMSMHVXTJZMLN-VIFPVBQESA-N 0 0 291.307 1.770 20 5 CDBDRN CN(C)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])nc1 ZINC000124087675 139794547 /nfs/dbraw/zinc/79/45/47/139794547.db2.gz HSLYPBANYPCXSB-UHFFFAOYSA-N 0 0 276.256 1.031 20 5 CDBDRN CC(C)[C@H](O)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000132803525 139857372 /nfs/dbraw/zinc/85/73/72/139857372.db2.gz TWIFVUGTFKRAMU-CYBMUJFWSA-N 0 0 296.323 1.497 20 5 CDBDRN CC(C)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000185277448 140036667 /nfs/dbraw/zinc/03/66/67/140036667.db2.gz ZCWSBDWHMWJROA-UHFFFAOYSA-N 0 0 278.312 1.738 20 5 CDBDRN Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)on1 ZINC000185722468 140045808 /nfs/dbraw/zinc/04/58/08/140045808.db2.gz BLIIEWDJSMJHKW-UHFFFAOYSA-N 0 0 297.292 1.370 20 5 CDBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc([N+](=O)[O-])s1 ZINC000188358025 140093508 /nfs/dbraw/zinc/09/35/08/140093508.db2.gz OZBWCHPPNXECFB-HLTSFMKQSA-N 0 0 282.321 1.954 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000188985874 140105333 /nfs/dbraw/zinc/10/53/33/140105333.db2.gz JXVUKXKBNZTOHO-ZWNOBZJWSA-N 0 0 293.323 1.579 20 5 CDBDRN CN(CC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000193956773 140147756 /nfs/dbraw/zinc/14/77/56/140147756.db2.gz BVCLBFXGHSLUTA-UHFFFAOYSA-N 0 0 270.310 1.625 20 5 CDBDRN Cc1nnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000218025447 140165327 /nfs/dbraw/zinc/16/53/27/140165327.db2.gz MAGBZEPIUXINMS-UHFFFAOYSA-N 0 0 297.271 1.728 20 5 CDBDRN O=C1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CN1 ZINC000226739572 140181345 /nfs/dbraw/zinc/18/13/45/140181345.db2.gz HEICZWOEKNBUOT-QMMMGPOBSA-N 0 0 272.264 1.443 20 5 CDBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC(=O)NC1 ZINC000229564798 140202226 /nfs/dbraw/zinc/20/22/26/140202226.db2.gz UUNQHUUQSIXFRG-ZETCQYMHSA-N 0 0 281.243 1.199 20 5 CDBDRN CCOc1cc(N2C[C@H](CO)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000230007664 140206109 /nfs/dbraw/zinc/20/61/09/140206109.db2.gz BZIQHHVBRDTPGK-CMPLNLGQSA-N 0 0 296.323 1.580 20 5 CDBDRN NC(=O)c1ccc(N[C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000230307133 140211366 /nfs/dbraw/zinc/21/13/66/140211366.db2.gz NQUHQOPLNPISRJ-DGCLKSJQSA-N 0 0 291.307 1.673 20 5 CDBDRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230721533 140213877 /nfs/dbraw/zinc/21/38/77/140213877.db2.gz YDJAYTIYZRHQIR-DTWKUNHWSA-N 0 0 278.312 1.975 20 5 CDBDRN O=C(NCCCCO)c1cc(F)cc([N+](=O)[O-])c1 ZINC000236494568 140239765 /nfs/dbraw/zinc/23/97/65/140239765.db2.gz BWLHVTCFSDMTCK-UHFFFAOYSA-N 0 0 256.233 1.236 20 5 CDBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000251687985 140311412 /nfs/dbraw/zinc/31/14/12/140311412.db2.gz JHTZZHHRBPVCJQ-XQQFMLRXSA-N 0 0 276.292 1.892 20 5 CDBDRN O=[N+]([O-])c1cccc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000252663494 140320910 /nfs/dbraw/zinc/32/09/10/140320910.db2.gz JSEAOMJKHFFGAK-CABCVRRESA-N 0 0 292.335 1.975 20 5 CDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252884669 140329927 /nfs/dbraw/zinc/32/99/27/140329927.db2.gz WVEVXJFXSSPBBT-AQUOVQTQSA-N 0 0 294.282 1.577 20 5 CDBDRN CO[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000279122271 285646827 /nfs/dbraw/zinc/64/68/27/285646827.db2.gz XJTSUGGTUSIDDV-RKDXNWHRSA-N 0 0 282.300 1.314 20 5 CDBDRN CN(C)C(=O)NCCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000355055298 413115746 /nfs/dbraw/zinc/11/57/46/413115746.db2.gz AQQMTPYCYLYAEU-UHFFFAOYSA-N 0 0 298.318 1.437 20 5 CDBDRN O=[N+]([O-])c1ncn(Cc2ccccc2Br)n1 ZINC000048603104 146845205 /nfs/dbraw/zinc/84/52/05/146845205.db2.gz LGSDUSGIXGRVMO-UHFFFAOYSA-N 0 0 283.085 1.997 20 5 CDBDRN O=c1c([N+](=O)[O-])cccn1Cc1ncn(-c2ccccc2)n1 ZINC000092261772 147005824 /nfs/dbraw/zinc/00/58/24/147005824.db2.gz MGMPHFGFEHSAEY-UHFFFAOYSA-N 0 0 297.274 1.386 20 5 CDBDRN C[C@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000094946809 147101509 /nfs/dbraw/zinc/10/15/09/147101509.db2.gz HAMREKKNUQMUNP-SECBINFHSA-N 0 0 288.325 1.034 20 5 CDBDRN CSCC[C@@H](CO)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000119059417 147303719 /nfs/dbraw/zinc/30/37/19/147303719.db2.gz VGKJGFARFVBGQA-NSHDSACASA-N 0 0 298.364 1.747 20 5 CDBDRN CC[C@@H](O)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000352393024 155154559 /nfs/dbraw/zinc/15/45/59/155154559.db2.gz WGOCGSOGHMLMTJ-MRVPVSSYSA-N 0 0 272.326 1.937 20 5 CDBDRN O=C(Cc1ccncc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000121391257 147371692 /nfs/dbraw/zinc/37/16/92/147371692.db2.gz IEBLTZYMAUEDHF-UHFFFAOYSA-N 0 0 271.276 1.849 20 5 CDBDRN CCC(=O)N[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000124392928 147443455 /nfs/dbraw/zinc/44/34/55/147443455.db2.gz XURUQALJMDBOGH-VIFPVBQESA-N 0 0 295.295 1.319 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(CN2CCc3nn[nH]c3C2)c(F)c1 ZINC000352406827 155166628 /nfs/dbraw/zinc/16/66/28/155166628.db2.gz NVNWXICFCVPEEV-UHFFFAOYSA-N 0 0 295.249 1.549 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCS(=O)CC1 ZINC000175220026 147985804 /nfs/dbraw/zinc/98/58/04/147985804.db2.gz VRYGXVBXOFZTAB-UHFFFAOYSA-N 0 0 298.364 1.558 20 5 CDBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCCCOCCO ZINC000180367595 148147525 /nfs/dbraw/zinc/14/75/25/148147525.db2.gz ZXBXGUAIOFWRDW-UHFFFAOYSA-N 0 0 296.323 1.043 20 5 CDBDRN CO[C@H](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000180982273 148171486 /nfs/dbraw/zinc/17/14/86/148171486.db2.gz SIOYSKJBBXKYSQ-SECBINFHSA-N 0 0 262.269 1.888 20 5 CDBDRN CCOc1cccc(N(C)C[C@@H](C)C(=O)NC)c1[N+](=O)[O-] ZINC000183154130 148286598 /nfs/dbraw/zinc/28/65/98/148286598.db2.gz MKSFQJCDRXUFMQ-SNVBAGLBSA-N 0 0 295.339 1.812 20 5 CDBDRN CN(CC1CCOCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183613598 148309938 /nfs/dbraw/zinc/30/99/38/148309938.db2.gz FGWTYJGCILYMQP-UHFFFAOYSA-N 0 0 294.311 1.880 20 5 CDBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CO ZINC000184679715 148363848 /nfs/dbraw/zinc/36/38/48/148363848.db2.gz PZGCSNAJDPFSMV-PWSUYJOCSA-N 0 0 280.324 1.661 20 5 CDBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(N)=O ZINC000184824189 148375128 /nfs/dbraw/zinc/37/51/28/148375128.db2.gz CMMVMTCSURDJNZ-LLVKDONJSA-N 0 0 293.323 1.155 20 5 CDBDRN CC(=O)N1CC(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000191222901 148493234 /nfs/dbraw/zinc/49/32/34/148493234.db2.gz LWXBSQHMAKXUMY-UHFFFAOYSA-N 0 0 277.280 1.320 20 5 CDBDRN CO[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000487085389 286076424 /nfs/dbraw/zinc/07/64/24/286076424.db2.gz PDPIUBLANSRRHJ-QWRGUYRKSA-N 0 0 267.285 1.148 20 5 CDBDRN CCSCCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000311523848 149215290 /nfs/dbraw/zinc/21/52/90/149215290.db2.gz WHXULIALHYJLIM-UHFFFAOYSA-N 0 0 284.341 1.445 20 5 CDBDRN C[C@](O)(CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000313838392 149248703 /nfs/dbraw/zinc/24/87/03/149248703.db2.gz AMDZWEUUXAQLJG-AWEZNQCLSA-N 0 0 294.307 1.251 20 5 CDBDRN Cc1cc(C(=O)N[C@H]2CC[S@@](=O)C2)cc([N+](=O)[O-])c1 ZINC000334065418 149312435 /nfs/dbraw/zinc/31/24/35/149312435.db2.gz ZBFDSBHCCYFSSW-APBUJDDRSA-N 0 0 282.321 1.154 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCSC[C@@H]1C1CC1 ZINC000334751613 149877323 /nfs/dbraw/zinc/87/73/23/149877323.db2.gz JEBSPYZRWCBIIW-LLVKDONJSA-N 0 0 281.337 1.891 20 5 CDBDRN COc1cc(C(=O)N2CC[C@@H](O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000346734721 286197386 /nfs/dbraw/zinc/19/73/86/286197386.db2.gz SAXGSJPIOUTHTN-MWLCHTKSSA-N 0 0 294.307 1.589 20 5 CDBDRN O=C(N[C@H]1CCCSC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000335900167 151095620 /nfs/dbraw/zinc/09/56/20/151095620.db2.gz ILRFNXXLOWWMDO-ZETCQYMHSA-N 0 0 255.299 1.548 20 5 CDBDRN CC(C)[C@@](C)(O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000352622628 155310955 /nfs/dbraw/zinc/31/09/55/155310955.db2.gz FXTSHTSECWIGPI-CQSZACIVSA-N 0 0 280.324 1.960 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2ccc3[nH]cnc3c2)c1[N+](=O)[O-] ZINC000352631725 155314418 /nfs/dbraw/zinc/31/44/18/155314418.db2.gz XZJJRUPSTROOSA-UHFFFAOYSA-N 0 0 286.251 1.755 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](C)OC)n1 ZINC000336841942 151731793 /nfs/dbraw/zinc/73/17/93/151731793.db2.gz SRUUGQBKOVPMRN-QMMMGPOBSA-N 0 0 283.284 1.248 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[C@H]1CCCO1 ZINC000342478282 151846002 /nfs/dbraw/zinc/84/60/02/151846002.db2.gz REMHMAALYSHKFE-LLVKDONJSA-N 0 0 296.327 1.127 20 5 CDBDRN NC(=O)c1cccc(N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000342486037 151849181 /nfs/dbraw/zinc/84/91/81/151849181.db2.gz GFDFJSOHCURGCT-SNVBAGLBSA-N 0 0 275.308 1.930 20 5 CDBDRN CN(C)C(=O)NCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000342544511 151853671 /nfs/dbraw/zinc/85/36/71/151853671.db2.gz MVRWKTOIJPWQIT-UHFFFAOYSA-N 0 0 284.291 1.441 20 5 CDBDRN Cc1ocnc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342760574 151911003 /nfs/dbraw/zinc/91/10/03/151911003.db2.gz ZEVLHNFOTDQWDQ-UHFFFAOYSA-N 0 0 276.252 1.602 20 5 CDBDRN O=C(NCC1(C(F)(F)F)CCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000343195717 152064690 /nfs/dbraw/zinc/06/46/90/152064690.db2.gz LFTGAAXEWKAXJX-UHFFFAOYSA-N 0 0 292.217 1.780 20 5 CDBDRN C[C@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343201173 152065752 /nfs/dbraw/zinc/06/57/52/152065752.db2.gz VTZBFIMIMYXZEA-SECBINFHSA-N 0 0 266.297 1.369 20 5 CDBDRN CN(CCC(N)=O)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343474525 152194161 /nfs/dbraw/zinc/19/41/61/152194161.db2.gz DQHRUATZZZWGLK-UHFFFAOYSA-N 0 0 291.263 1.288 20 5 CDBDRN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343483236 152197198 /nfs/dbraw/zinc/19/71/98/152197198.db2.gz UYXQDGMRVAPAGO-KOLCDFICSA-N 0 0 250.302 1.884 20 5 CDBDRN CN(CC(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343536293 152213954 /nfs/dbraw/zinc/21/39/54/152213954.db2.gz RVZAVVDNSPLQHD-VIFPVBQESA-N 0 0 290.266 1.531 20 5 CDBDRN CC[C@H](O)CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000343547480 152219525 /nfs/dbraw/zinc/21/95/25/152219525.db2.gz OBRMJZPXPLQAKO-NSHDSACASA-N 0 0 298.343 1.157 20 5 CDBDRN COCCOC1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000343707547 152273864 /nfs/dbraw/zinc/27/38/64/152273864.db2.gz OXJASRMUCGPNEM-UHFFFAOYSA-N 0 0 298.270 1.221 20 5 CDBDRN Cc1cnc(NC[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000343798344 152306232 /nfs/dbraw/zinc/30/62/32/152306232.db2.gz VNRAPJDNXZRRRP-SNVBAGLBSA-N 0 0 253.302 1.975 20 5 CDBDRN C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344105210 152420721 /nfs/dbraw/zinc/42/07/21/152420721.db2.gz SAYUBQVRXBFSEQ-GXSJLCMTSA-N 0 0 264.281 1.438 20 5 CDBDRN C[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344138680 152431914 /nfs/dbraw/zinc/43/19/14/152431914.db2.gz QDHOKYXZFSUGEF-IUCAKERBSA-N 0 0 282.271 1.577 20 5 CDBDRN C[C@H]1OCC[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344227024 152463546 /nfs/dbraw/zinc/46/35/46/152463546.db2.gz SEPSZLJZJBWEOB-PSASIEDQSA-N 0 0 265.269 1.378 20 5 CDBDRN CC[C@H](O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344369602 152510083 /nfs/dbraw/zinc/51/00/83/152510083.db2.gz COMQUZXHPKBFFY-QMMMGPOBSA-N 0 0 288.250 1.303 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000345766328 152945587 /nfs/dbraw/zinc/94/55/87/152945587.db2.gz ABHHONIQKFRFPV-CBAPKCEASA-N 0 0 286.234 1.987 20 5 CDBDRN Cc1nc(CCNc2ccc([N+](=O)[O-])c(C)n2)c(C)o1 ZINC000346848253 153325854 /nfs/dbraw/zinc/32/58/54/153325854.db2.gz IMOGJZTVKOCGGT-UHFFFAOYSA-N 0 0 276.296 1.980 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cccn1 ZINC000347055017 153395368 /nfs/dbraw/zinc/39/53/68/153395368.db2.gz OJPDTNPETLSEGB-UHFFFAOYSA-N 0 0 274.280 1.530 20 5 CDBDRN CCn1cc(CCn2cc([N+](=O)[O-])c(C)cc2=O)cn1 ZINC000347909847 153710481 /nfs/dbraw/zinc/71/04/81/153710481.db2.gz ABXVTKKEUYPIRL-UHFFFAOYSA-N 0 0 276.296 1.524 20 5 CDBDRN Cn1nnnc1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349144219 154060045 /nfs/dbraw/zinc/06/00/45/154060045.db2.gz OXOHNXNPSJCNBT-UHFFFAOYSA-N 0 0 285.267 1.030 20 5 CDBDRN O=C(N[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000349690774 154182279 /nfs/dbraw/zinc/18/22/79/154182279.db2.gz GRXDVLGXAMMKDR-LLVKDONJSA-N 0 0 273.248 1.786 20 5 CDBDRN COC(C)(C)c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000350505076 154396213 /nfs/dbraw/zinc/39/62/13/154396213.db2.gz XQLYEJONGUKZOJ-UHFFFAOYSA-N 0 0 266.257 1.865 20 5 CDBDRN COc1coc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cc1=O ZINC000353833626 156112521 /nfs/dbraw/zinc/11/25/21/156112521.db2.gz UEFMKPALTUOSQV-UHFFFAOYSA-N 0 0 292.247 1.075 20 5 CDBDRN COc1c(C(=O)N=c2ccn(C)[nH]2)cccc1[N+](=O)[O-] ZINC000353852207 156124107 /nfs/dbraw/zinc/12/41/07/156124107.db2.gz NWCNIXMIAHNTJB-UHFFFAOYSA-N 0 0 276.252 1.011 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(O)CCC1 ZINC000353886497 156143708 /nfs/dbraw/zinc/14/37/08/156143708.db2.gz GPRGUWGGJDHPGO-UHFFFAOYSA-N 0 0 295.295 1.640 20 5 CDBDRN C/C=C\C[C@@H](CO)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000354183212 156310974 /nfs/dbraw/zinc/31/09/74/156310974.db2.gz YHKONOCOOHVKHN-XADBCAIWSA-N 0 0 270.310 1.713 20 5 CDBDRN C/C=C\C[C@@H](CO)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000354191437 156315848 /nfs/dbraw/zinc/31/58/48/156315848.db2.gz PYOMFZOYEMTKKF-ZMWSMAPVSA-N 0 0 264.281 1.652 20 5 CDBDRN Cc1ncsc1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000355005821 156783874 /nfs/dbraw/zinc/78/38/74/156783874.db2.gz XZXVXBJCMBLWNV-UHFFFAOYSA-N 0 0 281.297 1.321 20 5 CDBDRN CN(Cc1ccco1)Cc1c([N+](=O)[O-])ncn1C ZINC000355791730 157238514 /nfs/dbraw/zinc/23/85/14/157238514.db2.gz IAWNKFILPWSDGH-UHFFFAOYSA-N 0 0 250.258 1.553 20 5 CDBDRN CC[C@@H](O)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000355794842 157240034 /nfs/dbraw/zinc/24/00/34/157240034.db2.gz LYLLQCSWYQGZBK-LLVKDONJSA-N 0 0 293.323 1.670 20 5 CDBDRN COC(=O)c1cnc(NCC[C@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000357684743 157793517 /nfs/dbraw/zinc/79/35/17/157793517.db2.gz CZCSTJGULIZLGL-NSHDSACASA-N 0 0 297.311 1.595 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(C)c2)c1 ZINC000358428637 157936699 /nfs/dbraw/zinc/93/66/99/157936699.db2.gz XLJAWBDTIIBUJP-UHFFFAOYSA-N 0 0 287.275 1.854 20 5 CDBDRN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1OC ZINC000358857897 158053810 /nfs/dbraw/zinc/05/38/10/158053810.db2.gz GFOSKESXTDLNPP-UMNHJUIQSA-N 0 0 267.285 1.594 20 5 CDBDRN Cc1ccn(CCCO[C@@H]2CCCCO2)c(=O)c1[N+](=O)[O-] ZINC000358855795 158054364 /nfs/dbraw/zinc/05/43/64/158054364.db2.gz UDQQGPWBPLDEAJ-GFCCVEGCSA-N 0 0 296.323 1.998 20 5 CDBDRN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])C(F)(F)F ZINC000358960884 158083552 /nfs/dbraw/zinc/08/35/52/158083552.db2.gz ZXTAPEOFIYHJFE-RXMQYKEDSA-N 0 0 280.206 1.257 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](CC2CC2)C1 ZINC000359698385 158341524 /nfs/dbraw/zinc/34/15/24/158341524.db2.gz 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1.547 20 5 CDBDRN CC1=NO[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001310095639 956671909 /nfs/dbraw/zinc/67/19/09/956671909.db2.gz RDTJPPCJOCOUSC-LLVKDONJSA-N 0 0 278.268 1.881 20 5 CDBDRN C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccnn1C ZINC001310449248 956690443 /nfs/dbraw/zinc/69/04/43/956690443.db2.gz OYGLXKCGIABCKI-MRVPVSSYSA-N 0 0 290.283 1.028 20 5 CDBDRN Cn1ccc(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001310991448 956721157 /nfs/dbraw/zinc/72/11/57/956721157.db2.gz AOZVMPKWQYAIIX-UHFFFAOYSA-N 0 0 276.256 1.555 20 5 CDBDRN O=C(OCc1cccnc1[N+](=O)[O-])[C@H]1CCSC1 ZINC001331551264 957133962 /nfs/dbraw/zinc/13/39/62/957133962.db2.gz OSHOVUOJVABOHZ-VIFPVBQESA-N 0 0 268.294 1.786 20 5 CDBDRN C[C@@H](NC(=O)C(=O)N1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001331948835 957355193 /nfs/dbraw/zinc/35/51/93/957355193.db2.gz IYIXATNVYWHJKB-VHSXEESVSA-N 0 0 291.307 1.393 20 5 CDBDRN CCN1CC[C@@H](OC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC001333213433 958160742 /nfs/dbraw/zinc/16/07/42/958160742.db2.gz ZSGLEPRRIIWYAR-LLVKDONJSA-N 0 0 294.263 1.078 20 5 CDBDRN COC(=O)CCC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001333538878 958407947 /nfs/dbraw/zinc/40/79/47/958407947.db2.gz APLPAOGYYZKCBV-UHFFFAOYSA-N 0 0 296.254 1.576 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)C(C)C ZINC001319393103 958530091 /nfs/dbraw/zinc/53/00/91/958530091.db2.gz JMFJPYMHOWWTQB-LBPRGKRZSA-N 0 0 295.339 1.773 20 5 CDBDRN COC[C@@H]1COCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001333867384 958662274 /nfs/dbraw/zinc/66/22/74/958662274.db2.gz NXVFQSJXDGHPIP-SECBINFHSA-N 0 0 287.703 1.495 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(C)=O ZINC001319651473 958671069 /nfs/dbraw/zinc/67/10/69/958671069.db2.gz KHQCMFCSDATCFY-MRVPVSSYSA-N 0 0 279.296 1.734 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H](C)CC(C)(C)O ZINC001334216239 958947306 /nfs/dbraw/zinc/94/73/06/958947306.db2.gz YWNRESQVCPNPKC-QMMMGPOBSA-N 0 0 269.301 1.960 20 5 CDBDRN COC[C@H]1COCCN1c1ccc([N+](=O)[O-])cc1F ZINC001335118372 959588030 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ZINC001121388763 937869565 /nfs/dbraw/zinc/86/95/65/937869565.db2.gz FYQFMDVDSCUWKH-VIFPVBQESA-N 0 0 271.321 1.016 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N1CCC=C(C)C1 ZINC001121698224 937880547 /nfs/dbraw/zinc/88/05/47/937880547.db2.gz DFIYSNGJYHHXJG-UHFFFAOYSA-N 0 0 251.290 1.231 20 5 CDBDRN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)Cc1ccccn1 ZINC001121699465 937880611 /nfs/dbraw/zinc/88/06/11/937880611.db2.gz KRPFSMVTKGYERQ-SNVBAGLBSA-N 0 0 290.327 1.667 20 5 CDBDRN COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C)C1 ZINC001122419587 937930644 /nfs/dbraw/zinc/93/06/44/937930644.db2.gz SNAQJXFRTBWKQN-NXEZZACHSA-N 0 0 283.332 1.108 20 5 CDBDRN O=C1CC[C@@H](CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)N1 ZINC001156150637 938325543 /nfs/dbraw/zinc/32/55/43/938325543.db2.gz CCDYEJUCFZPWQD-ZETCQYMHSA-N 0 0 275.268 1.162 20 5 CDBDRN CCN(CC)C(=O)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001156362756 938357696 /nfs/dbraw/zinc/35/76/96/938357696.db2.gz DFBKADVCMPSHGU-MRVPVSSYSA-N 0 0 281.316 1.241 20 5 CDBDRN CN[C@H]1CCN1c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001156638174 938399108 /nfs/dbraw/zinc/39/91/08/938399108.db2.gz KDGKKAHHMDVWFS-ZCFIWIBFSA-N 0 0 257.681 1.102 20 5 CDBDRN CCCOCCNc1ncc([N+](=O)[O-])cc1C(=O)OC ZINC001157087048 938452042 /nfs/dbraw/zinc/45/20/42/938452042.db2.gz YLQRQBNBBATKJB-UHFFFAOYSA-N 0 0 283.284 1.615 20 5 CDBDRN CCC(CO)(CO)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157200360 938465504 /nfs/dbraw/zinc/46/55/04/938465504.db2.gz MDJFWLISQOABST-UHFFFAOYSA-N 0 0 280.284 1.016 20 5 CDBDRN COc1cc(NCCOC(F)(F)F)ncc1[N+](=O)[O-] ZINC001157387385 938484913 /nfs/dbraw/zinc/48/49/13/938484913.db2.gz MEGPPEZPEUCNER-UHFFFAOYSA-N 0 0 281.190 1.947 20 5 CDBDRN COc1nc(N[C@H]2C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC001157457651 938494874 /nfs/dbraw/zinc/49/48/74/938494874.db2.gz FKGLIUWXPFYVDH-OCAPTIKFSA-N 0 0 253.258 1.181 20 5 CDBDRN Cc1cc(N)n(Nc2cc(Cl)ncc2[N+](=O)[O-])c(=O)c1 ZINC001158414893 938620286 /nfs/dbraw/zinc/62/02/86/938620286.db2.gz PXDBLWOWLPJRMM-UHFFFAOYSA-N 0 0 295.686 1.571 20 5 CDBDRN COc1nc(NC[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001158536218 938633428 /nfs/dbraw/zinc/63/34/28/938633428.db2.gz OGOOKYWXMBPNMW-LURJTMIESA-N 0 0 281.190 1.334 20 5 CDBDRN O=Cc1ccc(OCC(=O)NC/C=C/Cl)c([N+](=O)[O-])c1 ZINC001158553010 938635615 /nfs/dbraw/zinc/63/56/15/938635615.db2.gz TXAFYTLICNBKCY-DAFODLJHSA-N 0 0 298.682 1.655 20 5 CDBDRN Cn1c(=O)cc(Nc2cc(Cl)ncc2[N+](=O)[O-])[nH]c1=O ZINC001159004029 938688069 /nfs/dbraw/zinc/68/80/69/938688069.db2.gz KAIBCHFKWVUDNQ-UHFFFAOYSA-N 0 0 297.658 1.186 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001159097786 938701898 /nfs/dbraw/zinc/70/18/98/938701898.db2.gz MBPCVCCAJLOWDE-IUCAKERBSA-N 0 0 299.327 1.525 20 5 CDBDRN N#CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001159101263 938702262 /nfs/dbraw/zinc/70/22/62/938702262.db2.gz AICSWMZPPNQGCB-UHFFFAOYSA-N 0 0 283.291 1.746 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001159192206 938710334 /nfs/dbraw/zinc/71/03/34/938710334.db2.gz KMJFJLTXOPOPIH-UHFFFAOYSA-N 0 0 287.239 1.414 20 5 CDBDRN CC(C)(CO)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001159604559 938741222 /nfs/dbraw/zinc/74/12/22/938741222.db2.gz WRSCXNDBBCYXOE-UHFFFAOYSA-N 0 0 298.343 1.051 20 5 CDBDRN Cc1nnc2n1CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]2C ZINC001160135335 938770344 /nfs/dbraw/zinc/77/03/44/938770344.db2.gz BVOBDTSGCJGOQZ-SSDOTTSWSA-N 0 0 290.283 1.040 20 5 CDBDRN COc1cc(NCCC(=O)NC(C)(C)C)ncc1[N+](=O)[O-] ZINC001160413798 938785891 /nfs/dbraw/zinc/78/58/91/938785891.db2.gz MOMMVRVTAUWPFZ-UHFFFAOYSA-N 0 0 296.327 1.715 20 5 CDBDRN COC(=O)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(=O)OC ZINC001160526021 938795591 /nfs/dbraw/zinc/79/55/91/938795591.db2.gz QKVNRHKPQUFMQO-ZETCQYMHSA-N 0 0 297.267 1.140 20 5 CDBDRN Nc1ccc(NC(=O)c2cnc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC001160702588 938816635 /nfs/dbraw/zinc/81/66/35/938816635.db2.gz MDWZOCANEMBCBM-UHFFFAOYSA-N 0 0 298.262 1.701 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(NCCO[C@@H]2CCCCO2)n1 ZINC001160921176 938843856 /nfs/dbraw/zinc/84/38/56/938843856.db2.gz WTDWMIMCVAYWAW-LLVKDONJSA-N 0 0 282.300 1.648 20 5 CDBDRN O=[N+]([O-])c1ccnc(NC2(c3ncccn3)CC2)c1 ZINC001161311925 938886751 /nfs/dbraw/zinc/88/67/51/938886751.db2.gz FHXSUDWPMIXKTL-UHFFFAOYSA-N 0 0 257.253 1.881 20 5 CDBDRN Nc1nc(NCC2(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC001161626752 938916058 /nfs/dbraw/zinc/91/60/58/938916058.db2.gz QDFBCPJVDCJPSH-UHFFFAOYSA-N 0 0 286.295 1.506 20 5 CDBDRN Nc1nc(NCc2ncn3ccccc23)ccc1[N+](=O)[O-] ZINC001161686034 938920447 /nfs/dbraw/zinc/92/04/47/938920447.db2.gz RNSRBDZXESFORH-UHFFFAOYSA-N 0 0 284.279 1.832 20 5 CDBDRN CC(C)OCCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001161795925 938933276 /nfs/dbraw/zinc/93/32/76/938933276.db2.gz MVTQSJWMFMWRMX-UHFFFAOYSA-N 0 0 279.296 1.675 20 5 CDBDRN COc1ncc([N+](=O)[O-])cc1NCc1nccn1C ZINC001161915318 938942676 /nfs/dbraw/zinc/94/26/76/938942676.db2.gz USKYSOCURDJDDZ-UHFFFAOYSA-N 0 0 263.257 1.344 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCc1cn2ccccc2n1 ZINC001161965172 938949602 /nfs/dbraw/zinc/94/96/02/938949602.db2.gz VDFZNLWISMFAJK-UHFFFAOYSA-N 0 0 272.268 1.588 20 5 CDBDRN CCCC[C@H](Nc1ccc([N+](=O)[O-])c(OC)n1)C(N)=O ZINC001162278823 938970237 /nfs/dbraw/zinc/97/02/37/938970237.db2.gz QBFVUKQBWUOXDR-QMMMGPOBSA-N 0 0 282.300 1.454 20 5 CDBDRN Cc1ncc(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)c(=O)[nH]1 ZINC001162299781 938974217 /nfs/dbraw/zinc/97/42/17/938974217.db2.gz CYJSJMXOEVALJX-MRVPVSSYSA-N 0 0 286.251 1.281 20 5 CDBDRN O=C([O-])c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162481162 939065917 /nfs/dbraw/zinc/06/59/17/939065917.db2.gz KITDYDJIGCWHMO-CBAPKCEASA-N 0 0 283.259 1.405 20 5 CDBDRN Cc1cc(Nc2nc(C)ncc2[N+](=O)[O-])cn(C)c1=O ZINC001162509270 939075853 /nfs/dbraw/zinc/07/58/53/939075853.db2.gz RAYUALDIBQCHFR-UHFFFAOYSA-N 0 0 275.268 1.444 20 5 CDBDRN COc1ncc([N+](=O)[O-])cc1NCc1cccn1C ZINC001162709562 939125405 /nfs/dbraw/zinc/12/54/05/939125405.db2.gz QQGWFBOIHJHIOZ-UHFFFAOYSA-N 0 0 262.269 1.949 20 5 CDBDRN COC1CC(CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162991237 939170803 /nfs/dbraw/zinc/17/08/03/939170803.db2.gz DFIGMQQVYUONNV-UHFFFAOYSA-N 0 0 252.274 1.409 20 5 CDBDRN CCOC(=O)C=C(N)Nc1ncc(OCC)cc1[N+](=O)[O-] ZINC001163442094 939268827 /nfs/dbraw/zinc/26/88/27/939268827.db2.gz VABMDBGEUWUBSF-UHFFFAOYSA-N 0 0 296.283 1.731 20 5 CDBDRN CCOC(=O)C=C(N)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001163446994 939270486 /nfs/dbraw/zinc/27/04/86/939270486.db2.gz NJVTUVHGKRIGMD-UHFFFAOYSA-N 0 0 291.267 1.585 20 5 CDBDRN O=[N+]([O-])c1nccnc1NCCc1cccc(O)c1 ZINC001163695153 939309911 /nfs/dbraw/zinc/30/99/11/939309911.db2.gz YVYWCLDLVJWOKD-UHFFFAOYSA-N 0 0 260.253 1.745 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(N2CC3(C2)CC(F)(F)C3)n1 ZINC001163745848 939321673 /nfs/dbraw/zinc/32/16/73/939321673.db2.gz MVBKBJMYBCDOOK-UHFFFAOYSA-N 0 0 270.239 1.929 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC(N2CC(F)C2)C1 ZINC001163754251 939323277 /nfs/dbraw/zinc/32/32/77/939323277.db2.gz QUUSHWVVMSLROJ-UHFFFAOYSA-N 0 0 286.694 1.486 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(N(C)C2CC(F)(F)C2)n1 ZINC001163766418 939325467 /nfs/dbraw/zinc/32/54/67/939325467.db2.gz NRLQYCJXAIHWHB-UHFFFAOYSA-N 0 0 258.228 1.927 20 5 CDBDRN Nc1cc([N+](=O)[O-])cnc1N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001163792859 939333280 /nfs/dbraw/zinc/33/32/80/939333280.db2.gz HATQKPXEOSLIQK-ZYHUDNBSSA-N 0 0 290.323 1.910 20 5 CDBDRN COc1cc2ncnc(N3CC=CC3)c2cc1[N+](=O)[O-] ZINC001163917043 939351199 /nfs/dbraw/zinc/35/11/99/939351199.db2.gz KQBGUGIUVKSWBN-UHFFFAOYSA-N 0 0 272.264 1.923 20 5 CDBDRN Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1C=CS(=O)(=O)C1 ZINC001164023753 939386776 /nfs/dbraw/zinc/38/67/76/939386776.db2.gz XNNPKYVDEDSZGC-QMMMGPOBSA-N 0 0 286.284 1.765 20 5 CDBDRN O=[N+]([O-])c1cnc(N2C[C@@H](F)C[C@H](CO)C2)c(Cl)c1 ZINC001164035897 939392069 /nfs/dbraw/zinc/39/20/69/939392069.db2.gz IYZVULJQTFSERG-YUMQZZPRSA-N 0 0 289.694 1.800 20 5 CDBDRN Cc1c(C)c(N2C[C@@H](O)[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC001164113578 939412186 /nfs/dbraw/zinc/41/21/86/939412186.db2.gz YXLYILJZGZDPOK-WCBMZHEXSA-N 0 0 255.249 1.126 20 5 CDBDRN O=C1CC[C@H](CNc2ccc3nsnc3c2[N+](=O)[O-])N1 ZINC001164167517 939424205 /nfs/dbraw/zinc/42/42/05/939424205.db2.gz SXNVPTWGAQDIKE-ZCFIWIBFSA-N 0 0 293.308 1.290 20 5 CDBDRN O=[N+]([O-])c1cccc(N2CC[C@H](O)[C@@H](F)CC2)n1 ZINC001164227582 939435277 /nfs/dbraw/zinc/43/52/77/939435277.db2.gz MYWNICNEGRYMDB-IUCAKERBSA-N 0 0 255.249 1.289 20 5 CDBDRN O=[N+]([O-])c1cccc2nc(N3CCOC[C@H](O)C3)ccc21 ZINC001164506850 939480894 /nfs/dbraw/zinc/48/08/94/939480894.db2.gz HCFLWOOCJFIOOO-SNVBAGLBSA-N 0 0 289.291 1.341 20 5 CDBDRN O=C1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001165075475 939507681 /nfs/dbraw/zinc/50/76/81/939507681.db2.gz MEEQWWPQDDZHLI-UHFFFAOYSA-N 0 0 277.614 1.577 20 5 CDBDRN COc1cnc(N2CCN(CCF)CC2)c([N+](=O)[O-])c1 ZINC001165104244 939510800 /nfs/dbraw/zinc/51/08/00/939510800.db2.gz OGUISTXEHJFNKY-UHFFFAOYSA-N 0 0 284.291 1.090 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001165268894 939537216 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0 0 298.205 1.671 20 5 CDBDRN CCc1nncn1CCNc1ccc([N+](=O)[O-])cc1 ZINC000078560845 342338313 /nfs/dbraw/zinc/33/83/13/342338313.db2.gz VWENZPVCRGQLTH-UHFFFAOYSA-N 0 0 261.285 1.861 20 5 CDBDRN C[C@]1(CO)CCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000078381310 342336485 /nfs/dbraw/zinc/33/64/85/342336485.db2.gz CEVKISGXOWRCPG-CMPLNLGQSA-N 0 0 251.286 1.953 20 5 CDBDRN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000166814415 362076934 /nfs/dbraw/zinc/07/69/34/362076934.db2.gz LWDTVJWUDSNXHO-ZWNOBZJWSA-N 0 0 278.308 1.367 20 5 CDBDRN COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000079714744 342346983 /nfs/dbraw/zinc/34/69/83/342346983.db2.gz ZKQBGYGNGDEGHH-UHFFFAOYSA-N 0 0 296.254 1.512 20 5 CDBDRN C[C@H](CC(C)(C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000457201104 365714152 /nfs/dbraw/zinc/71/41/52/365714152.db2.gz XRYIGBANATWCAT-SSDOTTSWSA-N 0 0 254.290 1.872 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCOC1 ZINC000078722923 342339903 /nfs/dbraw/zinc/33/99/03/342339903.db2.gz CVOXRYYZLPYSEW-JTQLQIEISA-N 0 0 280.280 1.126 20 5 CDBDRN CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080598379 342357260 /nfs/dbraw/zinc/35/72/60/342357260.db2.gz BFWMNRWTKWQNBP-UHFFFAOYSA-N 0 0 251.286 1.847 20 5 CDBDRN COC(=O)N1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080600517 342357315 /nfs/dbraw/zinc/35/73/15/342357315.db2.gz JDHOGPJMWJTJJU-JTQLQIEISA-N 0 0 294.311 1.941 20 5 CDBDRN CNc1nc(C(=O)NCC2=CCOCC2)ccc1[N+](=O)[O-] ZINC000456030508 362123189 /nfs/dbraw/zinc/12/31/89/362123189.db2.gz LGKWTEGCOJZBPX-UHFFFAOYSA-N 0 0 292.295 1.108 20 5 CDBDRN CCC(CC)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596055867 343222116 /nfs/dbraw/zinc/22/21/16/343222116.db2.gz PHVLOPFWSHWRAK-UHFFFAOYSA-N 0 0 287.341 1.843 20 5 CDBDRN Cc1noc(CN2C(=O)N[C@](C)(C3CC3)C2=O)c1[N+](=O)[O-] ZINC000596012230 343208042 /nfs/dbraw/zinc/20/80/42/343208042.db2.gz RSNJEUAJTDEOOD-GFCCVEGCSA-N 0 0 294.267 1.112 20 5 CDBDRN CCc1nc(N)nc(SCc2onc(C)c2[N+](=O)[O-])n1 ZINC000596022646 343215552 /nfs/dbraw/zinc/21/55/52/343215552.db2.gz LFWZFNUGEJISFD-UHFFFAOYSA-N 0 0 296.312 1.343 20 5 CDBDRN CC[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596049067 343218385 /nfs/dbraw/zinc/21/83/85/343218385.db2.gz HNGYXSPPRURDOL-ZETCQYMHSA-N 0 0 273.314 1.453 20 5 CDBDRN O=[N+]([O-])c1cccnc1N1CCC(c2nnc[nH]2)CC1 ZINC000081036614 342363308 /nfs/dbraw/zinc/36/33/08/342363308.db2.gz FODXXVVHQYGTTA-UHFFFAOYSA-N 0 0 274.284 1.492 20 5 CDBDRN CCNC(=O)CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072578694 349801369 /nfs/dbraw/zinc/80/13/69/349801369.db2.gz QHHWJPSXQHPKOB-SNVBAGLBSA-N 0 0 265.313 1.724 20 5 CDBDRN CCNC(=O)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072578693 349801380 /nfs/dbraw/zinc/80/13/80/349801380.db2.gz QHHWJPSXQHPKOB-JTQLQIEISA-N 0 0 265.313 1.724 20 5 CDBDRN CC1(C)[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@H]2CCCO[C@@H]21 ZINC000596141740 343242056 /nfs/dbraw/zinc/24/20/56/343242056.db2.gz OAAILXCRSIBRPX-FXAINCCUSA-N 0 0 292.339 1.609 20 5 CDBDRN 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CN(C1CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185850691 357583399 /nfs/dbraw/zinc/58/33/99/357583399.db2.gz CWULXUYKNMIXTG-UHFFFAOYSA-N 0 0 270.310 1.768 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@](F)(CO)C1 ZINC000286615944 357588283 /nfs/dbraw/zinc/58/82/83/357588283.db2.gz BPTSUBFYZOWWBG-CYBMUJFWSA-N 0 0 297.286 1.114 20 5 CDBDRN C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000220069924 357611609 /nfs/dbraw/zinc/61/16/09/357611609.db2.gz GPDFXQKFOOYQIK-PSASIEDQSA-N 0 0 279.296 1.673 20 5 CDBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)c1ccncc1 ZINC000360748709 357678897 /nfs/dbraw/zinc/67/88/97/357678897.db2.gz XHLJERDBPAPYNJ-UHFFFAOYSA-N 0 0 275.268 1.390 20 5 CDBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000360859303 357722192 /nfs/dbraw/zinc/72/21/92/357722192.db2.gz NJBYTCPEGSVZRH-GXSJLCMTSA-N 0 0 264.281 1.295 20 5 CDBDRN CNc1c(C(=O)N2C[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000360860225 357722555 /nfs/dbraw/zinc/72/25/55/357722555.db2.gz 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ZINC000408069677 357804346 /nfs/dbraw/zinc/80/43/46/357804346.db2.gz FMVYMQYTOAFXIA-JTQLQIEISA-N 0 0 264.285 1.723 20 5 CDBDRN CNc1c(C(=O)NC[C@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000361208838 357825123 /nfs/dbraw/zinc/82/51/23/357825123.db2.gz BDXPHKMPKGLIOQ-AWEZNQCLSA-N 0 0 293.323 1.793 20 5 CDBDRN CCN(C[C@H](C)OC)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000361044160 357777858 /nfs/dbraw/zinc/77/78/58/357777858.db2.gz KJGPFLVDUUNDQO-QMMMGPOBSA-N 0 0 282.300 1.069 20 5 CDBDRN CCN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000361211726 357825850 /nfs/dbraw/zinc/82/58/50/357825850.db2.gz QPHFUCRBICPZSU-UHFFFAOYSA-N 0 0 268.317 1.837 20 5 CDBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCO ZINC000208636581 357826909 /nfs/dbraw/zinc/82/69/09/357826909.db2.gz OPSGVKPTXGFTIR-SREVYHEPSA-N 0 0 250.254 1.107 20 5 CDBDRN Cc1nn(C)c(N(C)CCC2CCOCC2)c1[N+](=O)[O-] ZINC000610709198 357827889 /nfs/dbraw/zinc/82/78/89/357827889.db2.gz XLMZNZBMRCQUAO-UHFFFAOYSA-N 0 0 282.344 1.890 20 5 CDBDRN CCCNC(=O)COc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000188598637 357915525 /nfs/dbraw/zinc/91/55/25/357915525.db2.gz ZQMAAPQFAWSPNI-UHFFFAOYSA-N 0 0 282.296 1.899 20 5 CDBDRN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000294453897 199045890 /nfs/dbraw/zinc/04/58/90/199045890.db2.gz WBPCNEAPJQXGNJ-PRHODGIISA-N 0 0 267.285 1.204 20 5 CDBDRN C[C@@H]1[C@@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000294413528 199030238 /nfs/dbraw/zinc/03/02/38/199030238.db2.gz ZCFQZWPFTCAYGL-JGVFFNPUSA-N 0 0 250.254 1.781 20 5 CDBDRN CO[C@H](C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000189058171 357966914 /nfs/dbraw/zinc/96/69/14/357966914.db2.gz GDRSUCFIUDRIHB-SECBINFHSA-N 0 0 291.307 1.770 20 5 CDBDRN CO[C@H](C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000189089186 357970471 /nfs/dbraw/zinc/97/04/71/357970471.db2.gz KSNKRNBAPZHQOO-SSDOTTSWSA-N 0 0 278.268 1.236 20 5 CDBDRN C[C@@H]1OCC[C@H]1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000296094795 199782180 /nfs/dbraw/zinc/78/21/80/199782180.db2.gz ZLCNFRSTICSFKS-JOYOIKCWSA-N 0 0 285.321 1.687 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NN2CCCC2)c1 ZINC000294563623 199088136 /nfs/dbraw/zinc/08/81/36/199088136.db2.gz XLRCTAZKSPSIHU-UHFFFAOYSA-N 0 0 279.296 1.734 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)CCOC2 ZINC000294578573 199093984 /nfs/dbraw/zinc/09/39/84/199093984.db2.gz WHXKKXQSASENBT-UHFFFAOYSA-N 0 0 277.280 1.040 20 5 CDBDRN CC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000079063638 358059721 /nfs/dbraw/zinc/05/97/21/358059721.db2.gz ZRBAKAXDDSHNTO-VIFPVBQESA-N 0 0 267.285 1.796 20 5 CDBDRN CNc1ccc(C(=O)N2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000165834443 358167309 /nfs/dbraw/zinc/16/73/09/358167309.db2.gz FMNABYLJWQSEKF-GXSJLCMTSA-N 0 0 293.323 1.479 20 5 CDBDRN CCCN(CC(=O)NC)c1ncc([N+](=O)[O-])s1 ZINC000192463942 358205346 /nfs/dbraw/zinc/20/53/46/358205346.db2.gz CDQBEUXHGKZTMW-UHFFFAOYSA-N 0 0 258.303 1.014 20 5 CDBDRN C[C@@H]1C[C@@H](C)CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171951743 358223444 /nfs/dbraw/zinc/22/34/44/358223444.db2.gz LVRVBJBHLANYHC-UMNHJUIQSA-N 0 0 280.328 1.732 20 5 CDBDRN CCOC(COCCNc1ccc([N+](=O)[O-])cn1)OCC ZINC000193378850 358290175 /nfs/dbraw/zinc/29/01/75/358290175.db2.gz WTUPKMPUGNHGGY-UHFFFAOYSA-N 0 0 299.327 1.817 20 5 CDBDRN CCn1ncnc1CN1CCc2c1cccc2[N+](=O)[O-] ZINC000193448926 358294964 /nfs/dbraw/zinc/29/49/64/358294964.db2.gz CKASDSRKPBQRNT-UHFFFAOYSA-N 0 0 273.296 1.769 20 5 CDBDRN C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000193529506 358301074 /nfs/dbraw/zinc/30/10/74/358301074.db2.gz DQYPPLSMHZCDMW-VIFPVBQESA-N 0 0 299.352 1.190 20 5 CDBDRN COC(C)(C)C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193628939 358310554 /nfs/dbraw/zinc/31/05/54/358310554.db2.gz IEUOUAPQUDVSNN-QMMMGPOBSA-N 0 0 297.311 1.629 20 5 CDBDRN CC[C@@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000264748271 358348010 /nfs/dbraw/zinc/34/80/10/358348010.db2.gz AFDULFQJOYYXGQ-XCBNKYQSSA-N 0 0 280.284 1.950 20 5 CDBDRN O=C1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]2CCCCN12 ZINC000337797863 358353396 /nfs/dbraw/zinc/35/33/96/358353396.db2.gz GURGEBPUXIWLKR-MNOVXSKESA-N 0 0 276.296 1.555 20 5 CDBDRN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)S1=O ZINC000361660344 358409169 /nfs/dbraw/zinc/40/91/69/358409169.db2.gz KBCAPXKGLRAIBO-RKDXNWHRSA-N 0 0 288.394 1.998 20 5 CDBDRN C[C@@H](CCO)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000593882531 358617694 /nfs/dbraw/zinc/61/76/94/358617694.db2.gz QINMSNQNFLNVSK-QMMMGPOBSA-N 0 0 270.260 1.577 20 5 CDBDRN Cc1c(CNc2nc(C)ccc2[N+](=O)[O-])cnn1C ZINC000230145822 358658197 /nfs/dbraw/zinc/65/81/97/358658197.db2.gz RCEASKCBAVUZAA-UHFFFAOYSA-N 0 0 261.285 1.952 20 5 CDBDRN O=C(NCCCO)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000097176612 358754799 /nfs/dbraw/zinc/75/47/99/358754799.db2.gz HMSJECNEBSSCNZ-UHFFFAOYSA-N 0 0 279.296 1.281 20 5 CDBDRN C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCS1 ZINC000290967704 358796025 /nfs/dbraw/zinc/79/60/25/358796025.db2.gz PKWCIDSKMVDLEY-MRVPVSSYSA-N 0 0 296.352 1.421 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCC(N)=O ZINC000287560090 358797761 /nfs/dbraw/zinc/79/77/61/358797761.db2.gz MJURSZUTQFNATD-UHFFFAOYSA-N 0 0 294.311 1.551 20 5 CDBDRN Cc1nc(NC[C@]2(O)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000228008387 358862910 /nfs/dbraw/zinc/86/29/10/358862910.db2.gz SCILWKNHMOXGQQ-BXKDBHETSA-N 0 0 267.285 1.250 20 5 CDBDRN C[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000296336948 199857959 /nfs/dbraw/zinc/85/79/59/199857959.db2.gz MARDMUVDVXMESZ-QWRGUYRKSA-N 0 0 293.323 1.992 20 5 CDBDRN Cc1cc(C(=O)NCCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000341828798 358854768 /nfs/dbraw/zinc/85/47/68/358854768.db2.gz OWNRVGIXJQOFAN-UHFFFAOYSA-N 0 0 278.308 1.938 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CC[C@@H](CO)[C@@H]2CC)c1[N+](=O)[O-] ZINC000332682677 358919197 /nfs/dbraw/zinc/91/91/97/358919197.db2.gz SSDHKAMQSPOVHU-WPRPVWTQSA-N 0 0 296.327 1.113 20 5 CDBDRN NC(=O)c1cccc(NC[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000342262382 358976576 /nfs/dbraw/zinc/97/65/76/358976576.db2.gz CZCSWDVYXVKAOK-KCJUWKMLSA-N 0 0 279.296 1.267 20 5 CDBDRN CC(C)[C@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000104061501 358944153 /nfs/dbraw/zinc/94/41/53/358944153.db2.gz NZTUJVBZQDEFTD-ZDUSSCGKSA-N 0 0 277.324 1.551 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CCCN1CCCC1=O ZINC000539631282 359024200 /nfs/dbraw/zinc/02/42/00/359024200.db2.gz DXXMIZOLLQJSQE-UHFFFAOYSA-N 0 0 252.274 1.112 20 5 CDBDRN CC(C)(CCO)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000230304686 359027792 /nfs/dbraw/zinc/02/77/92/359027792.db2.gz WSMNAFMVLQIGCF-UHFFFAOYSA-N 0 0 280.324 1.662 20 5 CDBDRN CC(C)[C@@H](CO)[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000450776200 359001069 /nfs/dbraw/zinc/00/10/69/359001069.db2.gz VVHJXSSITAQGNO-KOLCDFICSA-N 0 0 297.359 1.498 20 5 CDBDRN CCOc1cc(N2CC(=O)N[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450783266 359005232 /nfs/dbraw/zinc/00/52/32/359005232.db2.gz BLTRWCMLEXATSA-VIFPVBQESA-N 0 0 279.296 1.318 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCC1 ZINC000267194711 359009108 /nfs/dbraw/zinc/00/91/08/359009108.db2.gz IAIMCCPPBLTANO-UHFFFAOYSA-N 0 0 265.269 1.248 20 5 CDBDRN CCCNC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000342327342 359009732 /nfs/dbraw/zinc/00/97/32/359009732.db2.gz JQCNHSJATYMMBA-UHFFFAOYSA-N 0 0 279.296 1.241 20 5 CDBDRN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCC[C@H]1O ZINC000267206719 359016367 /nfs/dbraw/zinc/01/63/67/359016367.db2.gz FQKQDRPMZMYFIL-ZWNOBZJWSA-N 0 0 281.312 1.594 20 5 CDBDRN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000451615885 359065886 /nfs/dbraw/zinc/06/58/86/359065886.db2.gz UYJCFDLBYHJSGG-VHSXEESVSA-N 0 0 284.337 1.932 20 5 CDBDRN NC(=O)c1cccc(N2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000342486036 359069390 /nfs/dbraw/zinc/06/93/90/359069390.db2.gz GFDFJSOHCURGCT-JTQLQIEISA-N 0 0 275.308 1.930 20 5 CDBDRN Nc1nccc(C(=O)NC[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000540561066 359072253 /nfs/dbraw/zinc/07/22/53/359072253.db2.gz PIVYTVYUGJFLFR-VIFPVBQESA-N 0 0 276.296 1.488 20 5 CDBDRN 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ZINC000330595368 393143728 /nfs/dbraw/zinc/14/37/28/393143728.db2.gz BMJASFHBXUENIN-UHFFFAOYSA-N 0 0 280.284 1.246 20 5 CDBDRN O=C(NC[C@@H]1CCC(F)(F)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000281878903 393161116 /nfs/dbraw/zinc/16/11/16/393161116.db2.gz SALQTQMSJWELHR-ZCFIWIBFSA-N 0 0 274.227 1.483 20 5 CDBDRN CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000493861486 393223245 /nfs/dbraw/zinc/22/32/45/393223245.db2.gz TZCIJKMUWMMSNG-LZGFCCKTSA-N 0 0 291.307 1.249 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H](C)O)CC1 ZINC000225737744 393197626 /nfs/dbraw/zinc/19/76/26/393197626.db2.gz LZMAQFFFCWXNQG-SNVBAGLBSA-N 0 0 265.313 1.895 20 5 CDBDRN C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000175058864 393442556 /nfs/dbraw/zinc/44/25/56/393442556.db2.gz PZXATFZESFAICZ-RKDXNWHRSA-N 0 0 263.297 1.928 20 5 CDBDRN COc1cc(C(=O)N2CC(O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000164858870 139923428 /nfs/dbraw/zinc/92/34/28/139923428.db2.gz BONGBFPCFCFUDP-UHFFFAOYSA-N 0 0 292.291 1.200 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCCn2cccn2)n1 ZINC000166708471 139929118 /nfs/dbraw/zinc/92/91/18/139929118.db2.gz MXJFNPRVUCDPOC-UHFFFAOYSA-N 0 0 291.267 1.085 20 5 CDBDRN CC(=O)N1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000182418144 140020188 /nfs/dbraw/zinc/02/01/88/140020188.db2.gz JCPHKCWGBQFKBA-NSHDSACASA-N 0 0 291.307 1.710 20 5 CDBDRN C[C@H](O)CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185563181 140042764 /nfs/dbraw/zinc/04/27/64/140042764.db2.gz NSHIEKOLMDLIFV-IUCAKERBSA-N 0 0 284.287 1.677 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(CO)CCCC1 ZINC000186966221 140072730 /nfs/dbraw/zinc/07/27/30/140072730.db2.gz HIYRFWDSEZCFIL-UHFFFAOYSA-N 0 0 293.323 1.460 20 5 CDBDRN C[C@H]1C(=O)NCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189082138 140107934 /nfs/dbraw/zinc/10/79/34/140107934.db2.gz DGABHYHOSJZCLR-JTQLQIEISA-N 0 0 263.297 1.305 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H]1CO ZINC000189389189 140114522 /nfs/dbraw/zinc/11/45/22/140114522.db2.gz 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ZINC000236496971 140240095 /nfs/dbraw/zinc/24/00/95/140240095.db2.gz SPNMAALXJGNOFI-RXMQYKEDSA-N 0 0 298.242 1.454 20 5 CDBDRN O=C([O-])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261596355 140359785 /nfs/dbraw/zinc/35/97/85/140359785.db2.gz OOEXORMPKMUSHG-VIFPVBQESA-N 0 0 268.244 1.640 20 5 CDBDRN Cc1cnc(N(C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000274758605 140502385 /nfs/dbraw/zinc/50/23/85/140502385.db2.gz RBOQCZYNFCZBPQ-YYSFKGJASA-N 0 0 271.342 1.501 20 5 CDBDRN CCOc1cccc(N2C[C@H](CO)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000230005191 413096140 /nfs/dbraw/zinc/09/61/40/413096140.db2.gz IWMASMGCGVHAOB-WDEREUQCSA-N 0 0 296.323 1.580 20 5 CDBDRN O=[N+]([O-])c1cc2ccccc2nc1NCCn1ccnc1 ZINC000352359038 155134552 /nfs/dbraw/zinc/13/45/52/155134552.db2.gz BETPRYKNGXQWPR-UHFFFAOYSA-N 0 0 283.291 1.874 20 5 CDBDRN CSC[C@H](CCO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153100508 289157270 /nfs/dbraw/zinc/15/72/70/289157270.db2.gz STCYWSPGIBIERN-NSHDSACASA-N 0 0 298.364 1.368 20 5 CDBDRN CCOc1cc(NCCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000104237038 397938494 /nfs/dbraw/zinc/93/84/94/397938494.db2.gz YSXNMDFEGWRAEN-UHFFFAOYSA-N 0 0 288.325 1.450 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C)CC1 ZINC000360842233 397893548 /nfs/dbraw/zinc/89/35/48/397893548.db2.gz MUJVRFPIOMMQOS-UHFFFAOYSA-N 0 0 263.297 1.549 20 5 CDBDRN Cc1ccc(N2C(=O)NC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000278216431 292127363 /nfs/dbraw/zinc/12/73/63/292127363.db2.gz XLGDKMCDXZGONY-UHFFFAOYSA-N 0 0 263.253 1.738 20 5 CDBDRN C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1ccc([N+](=O)[O-])cc1F ZINC000490819677 296568358 /nfs/dbraw/zinc/56/83/58/296568358.db2.gz FMYFHFBYJOMNDC-BZHVJNSISA-N 0 0 293.298 1.963 20 5 CDBDRN CC(C)CCN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000161419403 398128872 /nfs/dbraw/zinc/12/88/72/398128872.db2.gz ROXNVUHCJYEMMO-UHFFFAOYSA-N 0 0 280.328 1.979 20 5 CDBDRN Cc1ccc(N2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000302727306 292137722 /nfs/dbraw/zinc/13/77/22/292137722.db2.gz 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ZINC000864642557 826866208 /nfs/dbraw/zinc/86/62/08/826866208.db2.gz PYSQQRAWAZUDGV-UHFFFAOYSA-N 0 0 295.265 1.028 20 5 CDBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCO1 ZINC000861973145 826879378 /nfs/dbraw/zinc/87/93/78/826879378.db2.gz PMIGFDXZGDMMKA-GFCCVEGCSA-N 0 0 280.280 1.017 20 5 CDBDRN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCN2c2ccccc21 ZINC000840337150 826882797 /nfs/dbraw/zinc/88/27/97/826882797.db2.gz QVOIVJXDLNHFSB-JTNHKYCSSA-N 0 0 287.319 1.667 20 5 CDBDRN CCN(Cc1cccnc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000886145032 826884596 /nfs/dbraw/zinc/88/45/96/826884596.db2.gz NNMKKRBONGCJMN-SECBINFHSA-N 0 0 293.245 1.735 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1N1CC[C@H]2COC[C@H]2C1 ZINC000882631105 826889731 /nfs/dbraw/zinc/88/97/31/826889731.db2.gz HBDSLJIFILDYSX-DTWKUNHWSA-N 0 0 267.260 1.602 20 5 CDBDRN Nc1ccc(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000715491755 826906035 /nfs/dbraw/zinc/90/60/35/826906035.db2.gz MPCSVALUQNMQIX-OCAPTIKFSA-N 0 0 283.234 1.514 20 5 CDBDRN O=C(NOCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000842112913 827000727 /nfs/dbraw/zinc/00/07/27/827000727.db2.gz CDKHGRNAGQMZCM-UHFFFAOYSA-N 0 0 250.254 1.943 20 5 CDBDRN COCCN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@H](C)C1 ZINC000790477713 827011315 /nfs/dbraw/zinc/01/13/15/827011315.db2.gz IWVAZMBDLYNELE-NWDGAFQWSA-N 0 0 282.344 1.886 20 5 CDBDRN CC(C)Oc1ncccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840267686 827025105 /nfs/dbraw/zinc/02/51/05/827025105.db2.gz DWERPNSEJMDWEC-PSASIEDQSA-N 0 0 265.269 1.473 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C=CCC1 ZINC000881490785 827043479 /nfs/dbraw/zinc/04/34/79/827043479.db2.gz RBIOYXRJHONCJV-SNVBAGLBSA-N 0 0 261.281 1.994 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1Cn1cncn1 ZINC000814039321 827052478 /nfs/dbraw/zinc/05/24/78/827052478.db2.gz ZTZDUWOPWLCOTH-SNVBAGLBSA-N 0 0 290.279 1.148 20 5 CDBDRN C[C@H](COC(=O)c1ccc2c(c1)C[C@H](C)O2)[N+](=O)[O-] ZINC000851036722 827098215 /nfs/dbraw/zinc/09/82/15/827098215.db2.gz LPYIGYFQFIPBHH-BDAKNGLRSA-N 0 0 265.265 1.832 20 5 CDBDRN C[C@@H](O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000787578535 827138692 /nfs/dbraw/zinc/13/86/92/827138692.db2.gz LDAMSKHXERUICT-ILFKPUCNSA-N 0 0 251.238 1.532 20 5 CDBDRN C[C@@H]1OCC[C@@H]1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000865370955 827169370 /nfs/dbraw/zinc/16/93/70/827169370.db2.gz YCIDGSBOUBEIGB-JGVFFNPUSA-N 0 0 256.233 1.321 20 5 CDBDRN Cn1c(C(=O)OC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000805760126 827206107 /nfs/dbraw/zinc/20/61/07/827206107.db2.gz DCDQERRFKQJUAC-SECBINFHSA-N 0 0 268.269 1.659 20 5 CDBDRN C/C=C/C[C@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829595973 827238553 /nfs/dbraw/zinc/23/85/53/827238553.db2.gz WGVQYNYJPAWFJJ-KTTDLOKESA-N 0 0 294.307 1.072 20 5 CDBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783594173 827242605 /nfs/dbraw/zinc/24/26/05/827242605.db2.gz DYSFHCVJZWOSAI-OQPBUACISA-N 0 0 295.270 1.580 20 5 CDBDRN O=C(c1ccccc1)N1CCCN(CC[N+](=O)[O-])CC1 ZINC000929207624 827295393 /nfs/dbraw/zinc/29/53/93/827295393.db2.gz UUNHFGPFONAKNY-UHFFFAOYSA-N 0 0 277.324 1.111 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000718202011 827300462 /nfs/dbraw/zinc/30/04/62/827300462.db2.gz SZCZEWYWEKPDLX-AOOOYVTPSA-N 0 0 296.710 1.967 20 5 CDBDRN CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000885985581 827317638 /nfs/dbraw/zinc/31/76/38/827317638.db2.gz LLGSNTTXOKWDTN-LLVKDONJSA-N 0 0 278.312 1.090 20 5 CDBDRN CC[C@H](C)[C@H](NCc1csc([N+](=O)[O-])c1)C(N)=O ZINC000887061193 827325609 /nfs/dbraw/zinc/32/56/09/827325609.db2.gz NEFRYZTUJPOSTP-XVKPBYJWSA-N 0 0 271.342 1.646 20 5 CDBDRN CCOCC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000887404313 827333427 /nfs/dbraw/zinc/33/34/27/827333427.db2.gz BMXIYUPROSOPLF-SNVBAGLBSA-N 0 0 266.297 1.851 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCO[C@@H]1CCOC1 ZINC000885746063 827344835 /nfs/dbraw/zinc/34/48/35/827344835.db2.gz XMRQXLUUCNEKEW-CYBMUJFWSA-N 0 0 294.307 1.059 20 5 CDBDRN CC(C)Oc1cccc(C(=O)OCCC[N+](=O)[O-])n1 ZINC000860917388 827345883 /nfs/dbraw/zinc/34/58/83/827345883.db2.gz KRZPZEVTBUXDPH-UHFFFAOYSA-N 0 0 268.269 1.692 20 5 CDBDRN Cc1c(CN2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000104083326 827348610 /nfs/dbraw/zinc/34/86/10/827348610.db2.gz SPWXYKBBPLJMEK-UHFFFAOYSA-N 0 0 278.308 1.852 20 5 CDBDRN Cc1cnn(C)c1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853922583 827363282 /nfs/dbraw/zinc/36/32/82/827363282.db2.gz UFBSELFRAIFVBL-UHFFFAOYSA-N 0 0 280.240 1.290 20 5 CDBDRN C[S@](=O)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000134714456 827442300 /nfs/dbraw/zinc/44/23/00/827442300.db2.gz FIFSSYGSHZLGDP-QGZVFWFLSA-N 0 0 274.327 1.094 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCC[S@](C)=O)c1 ZINC000135244078 827451125 /nfs/dbraw/zinc/45/11/25/827451125.db2.gz CWGNHLBENNZUMR-QGZVFWFLSA-N 0 0 258.299 1.394 20 5 CDBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC[N+](=O)[O-] ZINC000791051655 827472503 /nfs/dbraw/zinc/47/25/03/827472503.db2.gz HSDNCGJNNIRPFN-SNVBAGLBSA-N 0 0 273.333 1.204 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCOC2)c1F ZINC000235885637 827473502 /nfs/dbraw/zinc/47/35/02/827473502.db2.gz NNPFIGCVRMPFDW-QMMMGPOBSA-N 0 0 268.244 1.561 20 5 CDBDRN Cc1noc(COC(=O)c2ccnc(C)n2)c1[N+](=O)[O-] ZINC000853890811 827513798 /nfs/dbraw/zinc/51/37/98/827513798.db2.gz BQFKHIVALYYHEQ-UHFFFAOYSA-N 0 0 278.224 1.347 20 5 CDBDRN Cc1ccnc(-n2nccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840394104 827546326 /nfs/dbraw/zinc/54/63/26/827546326.db2.gz COHRCLFIMMQGCO-NXEZZACHSA-N 0 0 287.279 1.179 20 5 CDBDRN O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000176671149 827554315 /nfs/dbraw/zinc/55/43/15/827554315.db2.gz HYZJXLACEZWCBX-UHFFFAOYSA-N 0 0 296.670 1.697 20 5 CDBDRN COC/C(C)=C\C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000844407967 827556263 /nfs/dbraw/zinc/55/62/63/827556263.db2.gz AZIALSQIJVWOPE-LUAWRHEFSA-N 0 0 278.308 1.846 20 5 CDBDRN COc1cc(N2CC(=O)N[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853665867 827572668 /nfs/dbraw/zinc/57/26/68/827572668.db2.gz VWMDAQVXGDQCCM-SECBINFHSA-N 0 0 279.296 1.237 20 5 CDBDRN O=C(N[C@H]1CCCOc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839619804 827586791 /nfs/dbraw/zinc/58/67/91/827586791.db2.gz XTVDVIYUAGBYMY-GRYCIOLGSA-N 0 0 276.292 1.682 20 5 CDBDRN CO[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000867667560 827598953 /nfs/dbraw/zinc/59/89/53/827598953.db2.gz LUMQDHMTPPCEEH-GFCCVEGCSA-N 0 0 298.270 1.108 20 5 CDBDRN Cn1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000129113197 827656917 /nfs/dbraw/zinc/65/69/17/827656917.db2.gz GVTZBVKTMDAESX-UHFFFAOYSA-N 0 0 288.259 1.651 20 5 CDBDRN CCn1nc(C)c(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000854495898 827657026 /nfs/dbraw/zinc/65/70/26/827657026.db2.gz XMYDOPBZHHHTRY-UHFFFAOYSA-N 0 0 290.283 1.349 20 5 CDBDRN CCN1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1=O ZINC000928876864 827683173 /nfs/dbraw/zinc/68/31/73/827683173.db2.gz SDGJPCJXUXQEKK-VIFPVBQESA-N 0 0 297.336 1.397 20 5 CDBDRN Cc1cc(NC[C@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])s1 ZINC000853513103 827728736 /nfs/dbraw/zinc/72/87/36/827728736.db2.gz UTXLLYVPSXEDQY-ZCFIWIBFSA-N 0 0 284.297 1.007 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C1(O)CCSCC1 ZINC000179760763 827741388 /nfs/dbraw/zinc/74/13/88/827741388.db2.gz SBJNPVXZXLEUSE-UHFFFAOYSA-N 0 0 296.348 1.469 20 5 CDBDRN Cn1cncc1CCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000793243974 827749854 /nfs/dbraw/zinc/74/98/54/827749854.db2.gz YOAURFZOIWPNLG-UHFFFAOYSA-N 0 0 265.225 1.321 20 5 CDBDRN CC(C)(C)C(=O)COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786189 827762628 /nfs/dbraw/zinc/76/26/28/827762628.db2.gz IJZRVISPSPSPFV-UHFFFAOYSA-N 0 0 281.268 1.344 20 5 CDBDRN CSCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000834349440 827762882 /nfs/dbraw/zinc/76/28/82/827762882.db2.gz YGUVGXCWSRTPEO-UHFFFAOYSA-N 0 0 284.341 1.533 20 5 CDBDRN O=C(NOCc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000794620337 827775577 /nfs/dbraw/zinc/77/55/77/827775577.db2.gz HSSBKQFAMVJLGZ-UHFFFAOYSA-N 0 0 262.225 1.180 20 5 CDBDRN O=C(NCCF)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000798063200 827778489 /nfs/dbraw/zinc/77/84/89/827778489.db2.gz FNQPEHGGOCDMJT-UHFFFAOYSA-N 0 0 289.650 1.272 20 5 CDBDRN Cc1cnc(N2CCC[C@H]3CCNC(=O)[C@H]32)c([N+](=O)[O-])c1 ZINC000883021961 827788182 /nfs/dbraw/zinc/78/81/82/827788182.db2.gz KDWIFEFPCHXVSO-JQWIXIFHSA-N 0 0 290.323 1.403 20 5 CDBDRN CCN(CC(=O)OC)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874351615 827796838 /nfs/dbraw/zinc/79/68/38/827796838.db2.gz IWAWUWIMVNKOEZ-UHFFFAOYSA-N 0 0 294.307 1.847 20 5 CDBDRN C[C@@H]1CCC[C@@]1(O)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832904677 827800693 /nfs/dbraw/zinc/80/06/93/827800693.db2.gz WFHBGIGWOPXCMB-ZWNOBZJWSA-N 0 0 272.345 1.489 20 5 CDBDRN C[C@@H]1CO[C@H](CO)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000167114345 827802247 /nfs/dbraw/zinc/80/22/47/827802247.db2.gz OMQCKFIDATUWEQ-KOLCDFICSA-N 0 0 284.287 1.316 20 5 CDBDRN COC(=O)[C@@]1(F)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000781664603 827816537 /nfs/dbraw/zinc/81/65/37/827816537.db2.gz TUDXUZDNQJGRDY-CYBMUJFWSA-N 0 0 297.286 1.698 20 5 CDBDRN 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/nfs/dbraw/zinc/48/24/42/959482442.db2.gz HMGGOGZMMYYCAS-UHFFFAOYSA-N 0 0 297.286 1.515 20 5 CDBDRN O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000211493435 959689283 /nfs/dbraw/zinc/68/92/83/959689283.db2.gz YBUXXBZLKQKHPL-GFCCVEGCSA-N 0 0 291.307 1.799 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](n3cncn3)C2)c(F)c1 ZINC001335483291 959835422 /nfs/dbraw/zinc/83/54/22/959835422.db2.gz QIONCUNCQFLYKZ-MRVPVSSYSA-N 0 0 278.247 1.172 20 5 CDBDRN O=C([O-])[C@@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321925736 960019870 /nfs/dbraw/zinc/01/98/70/960019870.db2.gz WCFGPKIGIVIGKU-CYBMUJFWSA-N 0 0 290.275 1.973 20 5 CDBDRN COC(=O)NC1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001322491666 960238283 /nfs/dbraw/zinc/23/82/83/960238283.db2.gz YWPGGQZXSSDDDH-UHFFFAOYSA-N 0 0 269.232 1.279 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCc1nnc(C(C)C)o1 ZINC001323823184 960985550 /nfs/dbraw/zinc/98/55/50/960985550.db2.gz NWWBGFNZSSMIEZ-UHFFFAOYSA-N 0 0 265.273 1.849 20 5 CDBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2F)cc([N+](=O)[O-])c1 ZINC001337797815 961429459 /nfs/dbraw/zinc/42/94/59/961429459.db2.gz DLECIUPNTHHYQY-NXEZZACHSA-N 0 0 282.227 1.678 20 5 CDBDRN COCCN(C)c1nnc(-c2ccc([N+](=O)[O-])o2)n1C ZINC001338208036 961688296 /nfs/dbraw/zinc/68/82/96/961688296.db2.gz CMVALEXLIULEGG-UHFFFAOYSA-N 0 0 281.272 1.066 20 5 CDBDRN Cn1c(C[N+](=O)[O-])nnc1N1CCc2cc(F)ccc2C1 ZINC001338205502 961688407 /nfs/dbraw/zinc/68/84/07/961688407.db2.gz KNWVAQNQULOVQZ-UHFFFAOYSA-N 0 0 291.286 1.294 20 5 CDBDRN CCC[C@@H]1CCCN1c1nnc([C@H](C)[N+](=O)[O-])n1C ZINC001338210704 961693171 /nfs/dbraw/zinc/69/31/71/961693171.db2.gz WOLZKEOHRVIZHD-VHSXEESVSA-N 0 0 267.333 1.922 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC(C)(C)O ZINC001338342080 961751717 /nfs/dbraw/zinc/75/17/17/961751717.db2.gz GINWLKOUVYOFIP-UHFFFAOYSA-N 0 0 281.312 1.527 20 5 CDBDRN Cc1ccc(CN(C)c2nnc(C[N+](=O)[O-])n2C)s1 ZINC001338837640 962026819 /nfs/dbraw/zinc/02/68/19/962026819.db2.gz HBNPQXDJWIRMQC-UHFFFAOYSA-N 0 0 281.341 1.598 20 5 CDBDRN C[C@@H]1CC(C)(C)CN1c1nnc(C[N+](=O)[O-])n1C ZINC001339664219 962474419 /nfs/dbraw/zinc/47/44/19/962474419.db2.gz FHMSHZPPQSGIRW-MRVPVSSYSA-N 0 0 253.306 1.217 20 5 CDBDRN COc1cccc(Nc2nnc(C[N+](=O)[O-])n2C)c1 ZINC001339668523 962478650 /nfs/dbraw/zinc/47/86/50/962478650.db2.gz ZGPOYBKNHCQKBV-UHFFFAOYSA-N 0 0 263.257 1.344 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001340112366 962749195 /nfs/dbraw/zinc/74/91/95/962749195.db2.gz DYNWJKUGWUUHFE-AOOOYVTPSA-N 0 0 265.317 1.311 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H](CF)C1 ZINC001340867145 963161539 /nfs/dbraw/zinc/16/15/39/963161539.db2.gz SSIKJLOBMDOUJF-VIFPVBQESA-N 0 0 271.296 1.261 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)CCC1CC1 ZINC001340878406 963169679 /nfs/dbraw/zinc/16/96/79/963169679.db2.gz MUMMOJAQGGTJAJ-VIFPVBQESA-N 0 0 267.333 1.872 20 5 CDBDRN COCCn1c(C[N+](=O)[O-])nnc1N1CCC[C@H](C)CC1 ZINC001341515931 963446088 /nfs/dbraw/zinc/44/60/88/963446088.db2.gz MDRGHWUSAUOOOD-NSHDSACASA-N 0 0 297.359 1.328 20 5 CDBDRN COCCn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H](C)CC1 ZINC001341515928 963446540 /nfs/dbraw/zinc/44/65/40/963446540.db2.gz MDRGHWUSAUOOOD-LLVKDONJSA-N 0 0 297.359 1.328 20 5 CDBDRN CCCN(CC1CC1)c1nnc(C[N+](=O)[O-])n1CCOC ZINC001341516943 963448182 /nfs/dbraw/zinc/44/81/82/963448182.db2.gz PBTVWNQRBQTBRZ-UHFFFAOYSA-N 0 0 297.359 1.328 20 5 CDBDRN COC1(OC)CC(Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC001343203525 963929305 /nfs/dbraw/zinc/92/93/05/963929305.db2.gz FZHYCFFPKYWQSK-UHFFFAOYSA-N 0 0 287.703 1.629 20 5 CDBDRN C[C@@H](COC(=O)c1ccn(-c2ccncc2)n1)[N+](=O)[O-] ZINC001343370469 963961619 /nfs/dbraw/zinc/96/16/19/963961619.db2.gz ABZSAHHIOUKCEB-VIFPVBQESA-N 0 0 276.252 1.089 20 5 CDBDRN CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCO[C@H](C)C1 ZINC001343630714 964067434 /nfs/dbraw/zinc/06/74/34/964067434.db2.gz LHSBGCIQZQONBW-MNOVXSKESA-N 0 0 297.359 1.497 20 5 CDBDRN C[C@H](COC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12)[N+](=O)[O-] ZINC001343663706 964082256 /nfs/dbraw/zinc/08/22/56/964082256.db2.gz IXFFRGGLIGPBKG-PJCOJXEDSA-N 0 0 290.275 1.105 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1ccnn1CC1CCC1 ZINC001343888077 964169187 /nfs/dbraw/zinc/16/91/87/964169187.db2.gz OTBWMLJXPSLXOV-UHFFFAOYSA-N 0 0 267.285 1.507 20 5 CDBDRN COC1(C)CN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C1 ZINC001344476931 964325067 /nfs/dbraw/zinc/32/50/67/964325067.db2.gz AINNGJZNVWFGHD-SNVBAGLBSA-N 0 0 297.359 1.497 20 5 CDBDRN C[C@H](COC(=O)Cc1c[nH]c2cnccc12)[N+](=O)[O-] ZINC001344812090 964438263 /nfs/dbraw/zinc/43/82/63/964438263.db2.gz CMCGJNOHKDUHFO-MRVPVSSYSA-N 0 0 263.253 1.314 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2CCCC[C@@H]2C1 ZINC001345024603 964538460 /nfs/dbraw/zinc/53/84/60/964538460.db2.gz QKHKWSJZIXNJDM-DDHJBXDOSA-N 0 0 252.314 1.690 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCCC(=O)N1 ZINC001346006150 964887670 /nfs/dbraw/zinc/88/76/70/964887670.db2.gz CJBGXMJNTQPHLG-SNVBAGLBSA-N 0 0 292.291 1.729 20 5 CDBDRN O=C1CC[C@H](CN2Cc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001347103966 965370878 /nfs/dbraw/zinc/37/08/78/965370878.db2.gz IUCHUXIIMHCSPL-GFCCVEGCSA-N 0 0 262.265 1.616 20 5 CDBDRN COCCC[C@H](C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001347301641 965463018 /nfs/dbraw/zinc/46/30/18/965463018.db2.gz SPUREEQZADHXEL-JTQLQIEISA-N 0 0 285.300 1.540 20 5 CDBDRN COc1ccc(C(=O)CNC(=O)[C@@H]2C[C@H]2F)cc1[N+](=O)[O-] ZINC001347376766 965495735 /nfs/dbraw/zinc/49/57/35/965495735.db2.gz SBLKJXYDDVTZES-RKDXNWHRSA-N 0 0 296.254 1.260 20 5 CDBDRN CCN(C)C(=O)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001350127024 966587852 /nfs/dbraw/zinc/58/78/52/966587852.db2.gz ZNAZZMQYRPWRLC-UHFFFAOYSA-N 0 0 274.223 1.730 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)[C@H]1CC12CCC2 ZINC001350190559 966602841 /nfs/dbraw/zinc/60/28/41/966602841.db2.gz PFHVZMJHKPTIHM-SSDOTTSWSA-N 0 0 250.258 1.457 20 5 CDBDRN CC(C)[C@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CCO1 ZINC001350586333 966703590 /nfs/dbraw/zinc/70/35/90/966703590.db2.gz BXTNOHSVCBEZBI-NXEZZACHSA-N 0 0 283.332 1.014 20 5 CDBDRN C[C@@H](c1nnc(N(C)CC2=CCSC2)n1C)[N+](=O)[O-] ZINC001350590462 966704445 /nfs/dbraw/zinc/70/44/45/966704445.db2.gz ZJUOZUIIZSTXPG-QMMMGPOBSA-N 0 0 283.357 1.262 20 5 CDBDRN CN(CCNC(=O)C1=CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001100006517 967193618 /nfs/dbraw/zinc/19/36/18/967193618.db2.gz DOYPZUDOFIQZPO-UHFFFAOYSA-N 0 0 290.323 1.653 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)CCc1cccs1 ZINC001353464781 967995546 /nfs/dbraw/zinc/99/55/46/967995546.db2.gz NBQUWIHFUALCSL-UHFFFAOYSA-N 0 0 280.309 1.961 20 5 CDBDRN CCOCC(=O)NCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001100433639 968342417 /nfs/dbraw/zinc/34/24/17/968342417.db2.gz RUVQPIXAZWCPDH-UHFFFAOYSA-N 0 0 295.339 1.574 20 5 CDBDRN CCN(CC)c1nnc(C[N+](=O)[O-])n1CC1CC1 ZINC001527128774 968653123 /nfs/dbraw/zinc/65/31/23/968653123.db2.gz CKEGAOZHVWNPRZ-UHFFFAOYSA-N 0 0 253.306 1.311 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H]1F ZINC001516067667 969930303 /nfs/dbraw/zinc/93/03/03/969930303.db2.gz VCWDYDYJEXKCDT-ZJUUUORDSA-N 0 0 252.245 1.911 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC001605224088 972974332 /nfs/dbraw/zinc/97/43/32/972974332.db2.gz RDJKUNHVPHDRNE-GFCCVEGCSA-N 0 0 264.281 1.952 20 5 CDBDRN CCN(c1nnc(CCC[N+](=O)[O-])n1CCOC)C(C)C ZINC001514787809 976346335 /nfs/dbraw/zinc/34/63/35/976346335.db2.gz OJDHSGLDNOBPLA-UHFFFAOYSA-N 0 0 299.375 1.369 20 5 CDBDRN CC[N@@H+]1CC[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000710102007 977481272 /nfs/dbraw/zinc/48/12/72/977481272.db2.gz VSTHHPHFUBOBIL-VIFPVBQESA-N 0 0 280.284 1.194 20 5 CDBDRN O=C([O-])[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000716272488 977825539 /nfs/dbraw/zinc/82/55/39/977825539.db2.gz CUZNALQLKLAIQB-ZYHUDNBSSA-N 0 0 280.280 1.174 20 5 CDBDRN CN1C[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601121902 342471373 /nfs/dbraw/zinc/47/13/73/342471373.db2.gz RBKJZDOIEKSMSC-SECBINFHSA-N 0 0 286.291 1.208 20 5 CDBDRN C[C@H](CO)N(C)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134230 342475188 /nfs/dbraw/zinc/47/51/88/342475188.db2.gz CFJHSDXOTZLQGN-SECBINFHSA-N 0 0 261.281 1.960 20 5 CDBDRN C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC(=O)N1 ZINC000601170823 342485817 /nfs/dbraw/zinc/48/58/17/342485817.db2.gz FVCSCBLDIDZJJY-SECBINFHSA-N 0 0 286.291 1.468 20 5 CDBDRN Cc1cc(OCC(=O)N2C[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000600222693 341986682 /nfs/dbraw/zinc/98/66/82/341986682.db2.gz YWEVXPZWHMOWNW-PHIMTYICSA-N 0 0 276.292 1.760 20 5 CDBDRN O=c1[nH][nH]cc1CCCNc1ccccc1[N+](=O)[O-] ZINC000601195118 342488755 /nfs/dbraw/zinc/48/87/55/342488755.db2.gz DPPOUBFDSSNGRF-SECBINFHSA-N 0 0 262.269 1.519 20 5 CDBDRN Cc1nc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000618355673 349444005 /nfs/dbraw/zinc/44/40/05/349444005.db2.gz PYZWQWUDCOLEHG-UHFFFAOYSA-N 0 0 294.292 1.390 20 5 CDBDRN COC1(C)CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000588009370 342490427 /nfs/dbraw/zinc/49/04/27/342490427.db2.gz WORLDDWSFPAELW-UHFFFAOYSA-N 0 0 280.309 1.825 20 5 CDBDRN COC(=O)c1cnc(N2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000588066216 342491874 /nfs/dbraw/zinc/49/18/74/342491874.db2.gz JKFNIWDRVJYDAY-SCZZXKLOSA-N 0 0 277.280 1.765 20 5 CDBDRN CCOCCOC1CN(c2ccsc2[N+](=O)[O-])C1 ZINC000601138031 342477963 /nfs/dbraw/zinc/47/79/63/342477963.db2.gz MRTAMOYVIOVSTP-UHFFFAOYSA-N 0 0 272.326 1.898 20 5 CDBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000155957348 342480432 /nfs/dbraw/zinc/48/04/32/342480432.db2.gz NDICGZWIHWKFQG-GHMZBOCLSA-N 0 0 293.327 1.271 20 5 CDBDRN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000049200466 342508845 /nfs/dbraw/zinc/50/88/45/342508845.db2.gz SFSQXBAXWNWGFK-UHFFFAOYSA-N 0 0 261.237 1.821 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000589601325 342509483 /nfs/dbraw/zinc/50/94/83/342509483.db2.gz AHVXXZLRRNRNIX-NXEZZACHSA-N 0 0 280.328 1.722 20 5 CDBDRN Cc1ccc(NC(=O)C(=O)N2CC=CCC2)cc1[N+](=O)[O-] ZINC000611522116 346809737 /nfs/dbraw/zinc/80/97/37/346809737.db2.gz PWZOSAZMASHDIA-UHFFFAOYSA-N 0 0 289.291 1.630 20 5 CDBDRN COC(=O)Cc1ccc(SCCCO)c([N+](=O)[O-])c1 ZINC000601217077 342515507 /nfs/dbraw/zinc/51/55/07/342515507.db2.gz MPNQQKXJWIDYFT-UHFFFAOYSA-N 0 0 285.321 1.785 20 5 CDBDRN C[C@H](CF)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000589084592 342497004 /nfs/dbraw/zinc/49/70/04/342497004.db2.gz OTPKPISCKJXSNP-ZCFIWIBFSA-N 0 0 270.216 1.411 20 5 CDBDRN O=C1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCN1 ZINC000589102684 342497043 /nfs/dbraw/zinc/49/70/43/342497043.db2.gz FFSVOGDGFKEMAT-UHFFFAOYSA-N 0 0 289.213 1.550 20 5 CDBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3nccs3)n2)n1C ZINC000589149708 342497842 /nfs/dbraw/zinc/49/78/42/342497842.db2.gz AVOYPLROZQAXBJ-UHFFFAOYSA-N 0 0 292.280 1.810 20 5 CDBDRN Cc1[nH][nH]c(=O)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000590399497 342543771 /nfs/dbraw/zinc/54/37/71/342543771.db2.gz YRALGUGSVUJEEC-UHFFFAOYSA-N 0 0 268.254 1.646 20 5 CDBDRN Cn1c(C(=O)N2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000590350158 342537747 /nfs/dbraw/zinc/53/77/47/342537747.db2.gz WCNYXBJJTLVDBS-UHFFFAOYSA-N 0 0 253.258 1.142 20 5 CDBDRN O=C(NC[C@@H](O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601314642 342551933 /nfs/dbraw/zinc/55/19/33/342551933.db2.gz MFQIZWXXKYIBLC-SNVBAGLBSA-N 0 0 268.244 1.235 20 5 CDBDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601371230 342557707 /nfs/dbraw/zinc/55/77/07/342557707.db2.gz DHKZWJQFCBMWBC-CABZTGNLSA-N 0 0 296.298 1.967 20 5 CDBDRN Cc1nc(N2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000564905813 365531398 /nfs/dbraw/zinc/53/13/98/365531398.db2.gz UMDARZQAZWNHDV-PWSUYJOCSA-N 0 0 263.297 1.913 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@H](CO)C1 ZINC000340990310 365531518 /nfs/dbraw/zinc/53/15/18/365531518.db2.gz ZBTGGDDCYGXRSV-RYUDHWBXSA-N 0 0 279.340 1.931 20 5 CDBDRN C[C@H](O)CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000124608409 187145317 /nfs/dbraw/zinc/14/53/17/187145317.db2.gz MWJDEXUGARJOCX-QMMMGPOBSA-N 0 0 270.260 1.577 20 5 CDBDRN Cc1nc2n(n1)CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000267047677 282110448 /nfs/dbraw/zinc/11/04/48/282110448.db2.gz IXPRASYRSJZGSD-UHFFFAOYSA-N 0 0 273.296 1.511 20 5 CDBDRN COC[C@@H](O)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000234708807 342046675 /nfs/dbraw/zinc/04/66/75/342046675.db2.gz CATGZDYKARQDPU-MFKMUULPSA-N 0 0 296.323 1.212 20 5 CDBDRN CSCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000608790880 342048309 /nfs/dbraw/zinc/04/83/09/342048309.db2.gz KPARCWCSBKJDQY-UHFFFAOYSA-N 0 0 269.326 1.757 20 5 CDBDRN COC(=O)c1ccnc(N[C@H](C)c2nc[nH]n2)c1[N+](=O)[O-] ZINC000590580838 342577515 /nfs/dbraw/zinc/57/75/15/342577515.db2.gz IXQPCWGYSOQXJN-ZCFIWIBFSA-N 0 0 292.255 1.068 20 5 CDBDRN CC[C@@](C)(CO)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000233969559 342042097 /nfs/dbraw/zinc/04/20/97/342042097.db2.gz BNTTUMDAJDPXDN-HZMBPMFUSA-N 0 0 280.324 1.976 20 5 CDBDRN CC[C@H](CNS(C)(=O)=O)Nc1ccc([N+](=O)[O-])s1 ZINC000590711317 342585345 /nfs/dbraw/zinc/58/53/45/342585345.db2.gz LFXWWWLPLTVOPU-SSDOTTSWSA-N 0 0 293.370 1.396 20 5 CDBDRN CC1(C)CN(c2ccc([N+](=O)[O-])nc2)[C@@H]2COC[C@@H]21 ZINC000590738438 342586264 /nfs/dbraw/zinc/58/62/64/342586264.db2.gz HIQNTEFXRBEWPX-WDEREUQCSA-N 0 0 263.297 1.851 20 5 CDBDRN Nc1nc(SC[C@@H]2CCCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000565242701 365618336 /nfs/dbraw/zinc/61/83/36/365618336.db2.gz ROKGEFAPFUNCPQ-IONNQARKSA-N 0 0 284.341 1.441 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1ncc(C)cn1 ZINC000565225025 365615642 /nfs/dbraw/zinc/61/56/42/365615642.db2.gz QFVNDMKFVCZNJP-UHFFFAOYSA-N 0 0 276.300 1.830 20 5 CDBDRN Cc1ccc(C(=O)Nc2cnccn2)cc1[N+](=O)[O-] ZINC000194435008 342595368 /nfs/dbraw/zinc/59/53/68/342595368.db2.gz INWKHBWYWRQTTL-UHFFFAOYSA-N 0 0 258.237 1.946 20 5 CDBDRN Cc1nnc(CC(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000609098435 342090748 /nfs/dbraw/zinc/09/07/48/342090748.db2.gz QMRCKONTSABNSX-UHFFFAOYSA-N 0 0 276.252 1.145 20 5 CDBDRN C[C@@H]1COCCN1CCNc1ccc([N+](=O)[O-])cc1 ZINC000609150146 342092463 /nfs/dbraw/zinc/09/24/63/342092463.db2.gz 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GTTNCPWNZCSYPH-SNVBAGLBSA-N 0 0 294.311 1.705 20 5 CDBDRN NC(=O)NC[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000052330731 345241266 /nfs/dbraw/zinc/24/12/66/345241266.db2.gz GVZNRIPXSKJGMF-VIFPVBQESA-N 0 0 296.302 1.619 20 5 CDBDRN CCOC(=O)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000159515902 345193744 /nfs/dbraw/zinc/19/37/44/345193744.db2.gz PXAYHFJYXKABHN-UHFFFAOYSA-N 0 0 282.296 1.469 20 5 CDBDRN CN(CCn1cccn1)c1ccsc1[N+](=O)[O-] ZINC000609517170 345592283 /nfs/dbraw/zinc/59/22/83/345592283.db2.gz VUBUZUVHYCYTSW-UHFFFAOYSA-N 0 0 252.299 1.989 20 5 CDBDRN CC(C)OCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000161207308 362632209 /nfs/dbraw/zinc/63/22/09/362632209.db2.gz XBEXIJBRYFUVCL-UHFFFAOYSA-N 0 0 267.285 1.332 20 5 CDBDRN CN(C[C@H](O)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000087558622 345733225 /nfs/dbraw/zinc/73/32/25/345733225.db2.gz DAKULDIKSMEYIQ-NSHDSACASA-N 0 0 279.296 1.020 20 5 CDBDRN COCCN(c1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000609585840 345819473 /nfs/dbraw/zinc/81/94/73/345819473.db2.gz QLWQIKIGSIFCNW-UHFFFAOYSA-N 0 0 268.317 1.724 20 5 CDBDRN CC[C@@H](O)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127492704 187311305 /nfs/dbraw/zinc/31/13/05/187311305.db2.gz MTWQXMBPJPRHSI-LLVKDONJSA-N 0 0 266.297 1.794 20 5 CDBDRN Nc1nc(NC[C@@H]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000609765728 345997897 /nfs/dbraw/zinc/99/78/97/345997897.db2.gz OIXJRTCUJLDPMA-SNVBAGLBSA-N 0 0 299.334 1.436 20 5 CDBDRN Cc1nnc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 ZINC000609874155 346028067 /nfs/dbraw/zinc/02/80/67/346028067.db2.gz QZRIRQVOENKPHA-UHFFFAOYSA-N 0 0 296.670 1.870 20 5 CDBDRN O=C(C[C@@H]1CCOC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000610045074 346081420 /nfs/dbraw/zinc/08/14/20/346081420.db2.gz VJNWZTGEIUCWCS-NSHDSACASA-N 0 0 294.307 1.516 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(Nc2cnn(CCO)c2)c1 ZINC000088703097 346083390 /nfs/dbraw/zinc/08/33/90/346083390.db2.gz JOPMTXAGLGLCMN-UHFFFAOYSA-N 0 0 262.269 1.836 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2[nH]ccc21 ZINC000129979749 346176086 /nfs/dbraw/zinc/17/60/86/346176086.db2.gz FQXURXVPMFSEMM-UHFFFAOYSA-N 0 0 299.290 1.703 20 5 CDBDRN O=[N+]([O-])c1ncccc1NCCCOC[C@H]1CCOC1 ZINC000610131474 346206671 /nfs/dbraw/zinc/20/66/71/346206671.db2.gz WHLCYNSAXSODIM-LLVKDONJSA-N 0 0 281.312 1.845 20 5 CDBDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610212190 346220334 /nfs/dbraw/zinc/22/03/34/346220334.db2.gz NRBIXMKZJLAAGN-NXEZZACHSA-N 0 0 299.352 1.656 20 5 CDBDRN COC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000610234761 346223741 /nfs/dbraw/zinc/22/37/41/346223741.db2.gz ICYAEARJFOUTSR-ZDUSSCGKSA-N 0 0 280.324 1.925 20 5 CDBDRN NC(=O)c1cc([N+](=O)[O-])cn(CCC2CCCCC2)c1=O ZINC000610286012 346244561 /nfs/dbraw/zinc/24/45/61/346244561.db2.gz DODLKICLTDIZNJ-UHFFFAOYSA-N 0 0 293.323 1.826 20 5 CDBDRN CSCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000610289455 346244609 /nfs/dbraw/zinc/24/46/09/346244609.db2.gz KAGQDYQVBXFRFO-UHFFFAOYSA-N 0 0 283.353 1.510 20 5 CDBDRN CCN(CC(=O)N(C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000610479285 346289527 /nfs/dbraw/zinc/28/95/27/346289527.db2.gz CLGTZNRMHWYUIN-UHFFFAOYSA-N 0 0 286.719 1.558 20 5 CDBDRN CC(C)c1nncn1CCNc1cccnc1[N+](=O)[O-] ZINC000610573420 346315947 /nfs/dbraw/zinc/31/59/47/346315947.db2.gz GVODHYTZNJBQGX-UHFFFAOYSA-N 0 0 276.300 1.817 20 5 CDBDRN Cc1ccc([C@@H](C)Nc2nccn(C)c2=O)cc1[N+](=O)[O-] ZINC000610587998 346319507 /nfs/dbraw/zinc/31/95/07/346319507.db2.gz JVMORWUDTKOBMA-SNVBAGLBSA-N 0 0 288.307 1.592 20 5 CDBDRN Cc1c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnn1C ZINC000266043203 362710965 /nfs/dbraw/zinc/71/09/65/362710965.db2.gz ZEAIZYGUNXSLHP-UHFFFAOYSA-N 0 0 275.268 1.308 20 5 CDBDRN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000266063539 362712529 /nfs/dbraw/zinc/71/25/29/362712529.db2.gz JAVHUIVZNUMUBE-ZYHUDNBSSA-N 0 0 278.308 1.679 20 5 CDBDRN C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000610741626 346388771 /nfs/dbraw/zinc/38/87/71/346388771.db2.gz UCWNJALYUNNLSY-ZJUUUORDSA-N 0 0 281.312 1.478 20 5 CDBDRN Cc1nc(N[C@H]2CC[S@@](=O)C2)ccc1[N+](=O)[O-] ZINC000610770029 346399471 /nfs/dbraw/zinc/39/94/71/346399471.db2.gz ONWZHLYGXGXWFA-WNWIJWBNSA-N 0 0 255.299 1.231 20 5 CDBDRN CN1CCC[C@@H](Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C1=O ZINC000610768738 346401306 /nfs/dbraw/zinc/40/13/06/346401306.db2.gz MEPYNRFKJLAHKM-QMMMGPOBSA-N 0 0 299.714 1.278 20 5 CDBDRN C[C@@H](C[C@H]1CCOC1)Nc1c([N+](=O)[O-])ncn1C ZINC000610734798 346391940 /nfs/dbraw/zinc/39/19/40/346391940.db2.gz NFDRABFZECTHFR-DTWKUNHWSA-N 0 0 254.290 1.555 20 5 CDBDRN Cc1cc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)nn1C ZINC000610862531 346468567 /nfs/dbraw/zinc/46/85/67/346468567.db2.gz NFTLQDNJIHRYDR-UHFFFAOYSA-N 0 0 298.306 1.944 20 5 CDBDRN COCC(C)(C)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000293583451 362749806 /nfs/dbraw/zinc/74/98/06/362749806.db2.gz AYZVCPLBHZTPIM-UHFFFAOYSA-N 0 0 283.284 1.098 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[S@](=O)C1 ZINC000610929504 346492288 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CNC(=O)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000085633994 179108660 /nfs/dbraw/zinc/10/86/60/179108660.db2.gz CLKSCEVOYNEZLY-UHFFFAOYSA-N 0 0 280.284 1.079 20 5 CDBDRN CCC[C@H](O)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000611004032 346572699 /nfs/dbraw/zinc/57/26/99/346572699.db2.gz IHWVMOGHEHAOJT-ZDUSSCGKSA-N 0 0 280.324 1.805 20 5 CDBDRN CCN1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000611087593 346603463 /nfs/dbraw/zinc/60/34/63/346603463.db2.gz WOEAVXRPUYQVDT-JTQLQIEISA-N 0 0 280.328 1.100 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCOC3)CC2)c1 ZINC000611103909 346608616 /nfs/dbraw/zinc/60/86/16/346608616.db2.gz HJRNPQYQHQTSMD-CYBMUJFWSA-N 0 0 291.351 1.814 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CC1CC1 ZINC000611110185 346609800 /nfs/dbraw/zinc/60/98/00/346609800.db2.gz DZOHULRNOFFZQR-GFCCVEGCSA-N 0 0 293.323 1.555 20 5 CDBDRN C[C@@H]1COCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610990607 346566729 /nfs/dbraw/zinc/56/67/29/346566729.db2.gz CMRKKWNHVVUMKK-LLVKDONJSA-N 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/nfs/dbraw/zinc/80/42/22/190804222.db2.gz NSEQWHMNLUBFFL-UHFFFAOYSA-N 0 0 266.301 1.591 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC(Oc3ccccc3)C2)nc1 ZINC000612780648 347282637 /nfs/dbraw/zinc/28/26/37/347282637.db2.gz VPPRKGYKLLXGGC-UHFFFAOYSA-N 0 0 272.264 1.652 20 5 CDBDRN Cc1cnc(N2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000227169679 302352403 /nfs/dbraw/zinc/35/24/03/302352403.db2.gz SXTSQPGNLPUMQI-ONGXEEELSA-N 0 0 251.286 1.505 20 5 CDBDRN O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000085980209 179209429 /nfs/dbraw/zinc/20/94/29/179209429.db2.gz LBLWZUUGKGVUEN-WCQYABFASA-N 0 0 278.308 1.876 20 5 CDBDRN CSC1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000194654330 362844485 /nfs/dbraw/zinc/84/44/85/362844485.db2.gz CNXAUDCAKRVMFA-UHFFFAOYSA-N 0 0 282.325 1.197 20 5 CDBDRN Cc1cc(=O)n(CC[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000128545056 187377528 /nfs/dbraw/zinc/37/75/28/187377528.db2.gz FULYAUPCCLFANF-VIFPVBQESA-N 0 0 266.253 1.018 20 5 CDBDRN CC(C)c1ncc(CN(C)c2c([N+](=O)[O-])ncn2C)cn1 ZINC000440668052 365895368 /nfs/dbraw/zinc/89/53/68/365895368.db2.gz GARXEZQXGCTUGJ-UHFFFAOYSA-N 0 0 290.327 1.878 20 5 CDBDRN COc1ccc(CNC(=O)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000564351750 293349086 /nfs/dbraw/zinc/34/90/86/293349086.db2.gz QPSIFOSPJLSROU-UHFFFAOYSA-N 0 0 282.296 1.238 20 5 CDBDRN Cc1cnn(CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000055467743 347845983 /nfs/dbraw/zinc/84/59/83/347845983.db2.gz QQYSWUKRCAVUPD-LLVKDONJSA-N 0 0 288.307 1.977 20 5 CDBDRN Cc1cnc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000055797350 347851430 /nfs/dbraw/zinc/85/14/30/347851430.db2.gz QMQRGBCEATYYII-UHFFFAOYSA-N 0 0 272.264 1.623 20 5 CDBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCO1 ZINC000055845627 347853398 /nfs/dbraw/zinc/85/33/98/347853398.db2.gz DCSLQICPHAKGLX-YIALFULDSA-N 0 0 292.291 1.140 20 5 CDBDRN COCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000055930390 347858168 /nfs/dbraw/zinc/85/81/68/347858168.db2.gz XRRRZUIEKHSSKQ-UHFFFAOYSA-N 0 0 268.269 1.322 20 5 CDBDRN 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IEINBZOZMWKMFA-UHFFFAOYSA-N 0 0 289.295 1.388 20 5 CDBDRN Cc1cc(C(=O)N(CC(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000058074749 375654050 /nfs/dbraw/zinc/65/40/50/375654050.db2.gz BBMVLFXAJQZZRE-UHFFFAOYSA-N 0 0 279.296 1.239 20 5 CDBDRN CN(CCNC(=O)OC(C)(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000495933841 375693527 /nfs/dbraw/zinc/69/35/27/375693527.db2.gz KFPYMSKZRPKBEM-UHFFFAOYSA-N 0 0 299.331 1.205 20 5 CDBDRN COC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000495930296 375693689 /nfs/dbraw/zinc/69/36/89/375693689.db2.gz DGEXXQUPLHNLQW-UHFFFAOYSA-N 0 0 298.274 1.772 20 5 CDBDRN CCC1(CC)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000294076519 375664922 /nfs/dbraw/zinc/66/49/22/375664922.db2.gz HOLCRKIWZYYCJP-UHFFFAOYSA-N 0 0 280.328 1.830 20 5 CDBDRN C[C@@H]1OCC[C@@]1(O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000228010352 375665022 /nfs/dbraw/zinc/66/50/22/375665022.db2.gz YLUJSGFLLCVNTD-JVXZTZIISA-N 0 0 288.250 1.825 20 5 CDBDRN CCOC(=O)NCCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000495941701 375694766 /nfs/dbraw/zinc/69/47/66/375694766.db2.gz LBIFSRUMPLITEB-UHFFFAOYSA-N 0 0 296.279 1.806 20 5 CDBDRN CN(C)C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103921221 139699763 /nfs/dbraw/zinc/69/97/63/139699763.db2.gz PTNBLNXWFMEQGE-UHFFFAOYSA-N 0 0 274.280 1.547 20 5 CDBDRN CCNC(=O)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345006885 375711783 /nfs/dbraw/zinc/71/17/83/375711783.db2.gz VDIBUVQTHMVWJL-UHFFFAOYSA-N 0 0 299.714 1.391 20 5 CDBDRN Nc1c(C(=O)N(CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000345010336 375713124 /nfs/dbraw/zinc/71/31/24/375713124.db2.gz NPJOEPNCMQXYAN-UHFFFAOYSA-N 0 0 279.296 1.022 20 5 CDBDRN Cc1ccc(NC(=O)C(=O)NC2CC=CC2)cc1[N+](=O)[O-] ZINC000133180749 375714672 /nfs/dbraw/zinc/71/46/72/375714672.db2.gz FXDLZCTWWNFCQM-UHFFFAOYSA-N 0 0 289.291 1.677 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2ncnc2C1 ZINC000354501596 375717624 /nfs/dbraw/zinc/71/76/24/375717624.db2.gz SAVPKUINYIJYJH-UHFFFAOYSA-N 0 0 287.279 1.151 20 5 CDBDRN COc1ccc(NC(=O)[C@H]2NC(=O)O[C@H]2C)cc1[N+](=O)[O-] ZINC000496349881 375739152 /nfs/dbraw/zinc/73/91/52/375739152.db2.gz ZMHCHWGJUKSORS-WKEGUHRASA-N 0 0 295.251 1.039 20 5 CDBDRN CC(C)(CCNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000294210602 375747571 /nfs/dbraw/zinc/74/75/71/375747571.db2.gz PZURPYFEGXVNQT-UHFFFAOYSA-N 0 0 266.301 1.874 20 5 CDBDRN CC[C@@H](C)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000355080271 375773166 /nfs/dbraw/zinc/77/31/66/375773166.db2.gz RURVJGPRKPXKCW-PSASIEDQSA-N 0 0 269.301 1.070 20 5 CDBDRN CN(Cc1ccoc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000345090292 375799669 /nfs/dbraw/zinc/79/96/69/375799669.db2.gz KHNVRIKCXAEMRE-UHFFFAOYSA-N 0 0 289.291 1.919 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CC3(C2)CCCC3)c1[N+](=O)[O-] ZINC000428443987 247302694 /nfs/dbraw/zinc/30/26/94/247302694.db2.gz TWNBJHGULIONAO-UHFFFAOYSA-N 0 0 264.285 1.643 20 5 CDBDRN CN(c1ccn(C)n1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356259380 375828888 /nfs/dbraw/zinc/82/88/88/375828888.db2.gz GYYFTGQVODWDOM-UHFFFAOYSA-N 0 0 296.308 1.153 20 5 CDBDRN O=C(NC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000356386268 375839951 /nfs/dbraw/zinc/83/99/51/375839951.db2.gz GJPGJALDACVRNA-UHFFFAOYSA-N 0 0 250.254 1.240 20 5 CDBDRN COc1c(C(=O)N(C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000356822599 375862806 /nfs/dbraw/zinc/86/28/06/375862806.db2.gz NUGXQFPTNCDPOI-UHFFFAOYSA-N 0 0 290.279 1.614 20 5 CDBDRN Cc1nn(C)c(NC2CCSCC2)c1[N+](=O)[O-] ZINC000133967716 375871838 /nfs/dbraw/zinc/87/18/38/375871838.db2.gz CAWWNFJYJUEGFC-UHFFFAOYSA-N 0 0 256.331 1.944 20 5 CDBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000048980845 375874321 /nfs/dbraw/zinc/87/43/21/375874321.db2.gz GTRCTAHHWNQSSU-UHFFFAOYSA-N 0 0 295.364 1.896 20 5 CDBDRN CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000357193067 375891275 /nfs/dbraw/zinc/89/12/75/375891275.db2.gz VHNSGUDZTSWRRB-NSHDSACASA-N 0 0 295.339 1.697 20 5 CDBDRN COCCOCCCCNc1c([N+](=O)[O-])ncn1C ZINC000133958546 375869137 /nfs/dbraw/zinc/86/91/37/375869137.db2.gz GMGUQCQEBZFCFE-UHFFFAOYSA-N 0 0 272.305 1.183 20 5 CDBDRN COC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC000308332919 375952494 /nfs/dbraw/zinc/95/24/94/375952494.db2.gz LUFWLGJLMVEGHB-UHFFFAOYSA-N 0 0 257.221 1.502 20 5 CDBDRN COC[C@@H](C)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194774716 375960033 /nfs/dbraw/zinc/96/00/33/375960033.db2.gz AGMANIQUORXEAV-MRVPVSSYSA-N 0 0 292.295 1.578 20 5 CDBDRN CCn1ncnc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000358025150 375946118 /nfs/dbraw/zinc/94/61/18/375946118.db2.gz RVNQLIYNXWRPMJ-UHFFFAOYSA-N 0 0 275.268 1.136 20 5 CDBDRN CC1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000358019631 375946395 /nfs/dbraw/zinc/94/63/95/375946395.db2.gz RIGCATABNHRXKU-UHFFFAOYSA-N 0 0 266.301 1.637 20 5 CDBDRN CCc1nnc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000296379353 376072605 /nfs/dbraw/zinc/07/26/05/376072605.db2.gz RYVXMPPMNXKNJV-UHFFFAOYSA-N 0 0 290.283 1.597 20 5 CDBDRN CC1(C)C[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278021320 193817894 /nfs/dbraw/zinc/81/78/94/193817894.db2.gz ZIOMTULPZVECFM-QMMMGPOBSA-N 0 0 251.242 1.224 20 5 CDBDRN CC[C@](C)(O)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347417820 376126283 /nfs/dbraw/zinc/12/62/83/376126283.db2.gz WIUPKVUTBNBLAC-ZDUSSCGKSA-N 0 0 276.296 1.533 20 5 CDBDRN COC(=O)[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430241677 247587994 /nfs/dbraw/zinc/58/79/94/247587994.db2.gz ODUBUVWVFCBFIE-VIFPVBQESA-N 0 0 282.296 1.597 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OC)CC2)n1 ZINC000166673711 284570474 /nfs/dbraw/zinc/57/04/74/284570474.db2.gz GHNYIJZBEDVMBZ-UHFFFAOYSA-N 0 0 295.295 1.392 20 5 CDBDRN CCCCNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(CO)c1 ZINC000431867208 247844833 /nfs/dbraw/zinc/84/48/33/247844833.db2.gz YHUOUTOLMGDSPJ-SNVBAGLBSA-N 0 0 296.323 1.771 20 5 CDBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C(F)F ZINC000171422547 376607077 /nfs/dbraw/zinc/60/70/77/376607077.db2.gz QWLVMCUZLFPCPA-UHFFFAOYSA-N 0 0 259.212 1.388 20 5 CDBDRN CCc1[nH]nc(C(=O)Nc2cc(C)ccn2)c1[N+](=O)[O-] ZINC000171397743 376570954 /nfs/dbraw/zinc/57/09/54/376570954.db2.gz LEKGWYKGHXHGBR-UHFFFAOYSA-N 0 0 275.268 1.836 20 5 CDBDRN O=[N+]([O-])c1cccc2c(N3C[C@H](O)C[C@H]3CO)ccnc21 ZINC000432338626 247890150 /nfs/dbraw/zinc/89/01/50/247890150.db2.gz XQOUTKKMCUXBHO-VHSXEESVSA-N 0 0 289.291 1.075 20 5 CDBDRN CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000160909093 376585232 /nfs/dbraw/zinc/58/52/32/376585232.db2.gz RVWWOWPZRCAYNP-UHFFFAOYSA-N 0 0 279.296 1.164 20 5 CDBDRN CC[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000347639372 376648628 /nfs/dbraw/zinc/64/86/28/376648628.db2.gz FCZJGJLMAUSQFM-SNVBAGLBSA-N 0 0 297.311 1.028 20 5 CDBDRN CCOc1cc(N2C[C@@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000487086386 376683198 /nfs/dbraw/zinc/68/31/98/376683198.db2.gz NHKFIMNHTYTSGZ-OKILXGFUSA-N 0 0 296.323 1.844 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H](CO)c2ccccc21 ZINC000433317737 248022989 /nfs/dbraw/zinc/02/29/89/248022989.db2.gz LYNKVJSTNURREM-JTQLQIEISA-N 0 0 288.307 1.424 20 5 CDBDRN Cc1noc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n1 ZINC000433775850 248053253 /nfs/dbraw/zinc/05/32/53/248053253.db2.gz WAIBFGWXUPNGGT-UHFFFAOYSA-N 0 0 294.271 1.063 20 5 CDBDRN CCCc1[nH]nc(-c2nc([C@H]3CCOC3)no2)c1[N+](=O)[O-] ZINC000436097281 248222542 /nfs/dbraw/zinc/22/25/42/248222542.db2.gz BVOKWTJLXIDSNO-ZETCQYMHSA-N 0 0 293.283 1.824 20 5 CDBDRN COC(=O)c1cnc(N2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276512641 284600495 /nfs/dbraw/zinc/60/04/95/284600495.db2.gz DYIXXYCZJDPGMQ-MRVPVSSYSA-N 0 0 265.269 1.623 20 5 CDBDRN CC[C@@]1(C(C)C)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000457315946 252485235 /nfs/dbraw/zinc/48/52/35/252485235.db2.gz ZPJDVQNAFGZIRA-YPMHNXCESA-N 0 0 280.328 1.732 20 5 CDBDRN Cc1nc(C)n(Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000267074914 376986103 /nfs/dbraw/zinc/98/61/03/376986103.db2.gz SZGQUZDLTRUTJG-UHFFFAOYSA-N 0 0 250.233 1.991 20 5 CDBDRN O=c1c2ccc([N+](=O)[O-])cc2ncn1CC1CCOCC1 ZINC000172022438 377235782 /nfs/dbraw/zinc/23/57/82/377235782.db2.gz FWWUMXZYJSTUIX-UHFFFAOYSA-N 0 0 289.291 1.731 20 5 CDBDRN Cc1cccc(N2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000218824073 377300636 /nfs/dbraw/zinc/30/06/36/377300636.db2.gz MZAJVVJYSPWUCK-UHFFFAOYSA-N 0 0 265.313 1.018 20 5 CDBDRN CC[C@@H](CO)N(C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000294302148 377403422 /nfs/dbraw/zinc/40/34/22/377403422.db2.gz ZXZQWAYKEKBQNQ-ZETCQYMHSA-N 0 0 266.257 1.338 20 5 CDBDRN CC(C)[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000487109564 377498762 /nfs/dbraw/zinc/49/87/62/377498762.db2.gz HFUMITQMCVMRCE-SNVBAGLBSA-N 0 0 267.333 1.105 20 5 CDBDRN NC(=O)[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000103554751 295111733 /nfs/dbraw/zinc/11/17/33/295111733.db2.gz MDMKHIHUALHRAW-NSHDSACASA-N 0 0 267.260 1.184 20 5 CDBDRN C[C@@H]1CC(NC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000172471508 377554523 /nfs/dbraw/zinc/55/45/23/377554523.db2.gz NFXYEIGXCHWLBO-UWVGGRQHSA-N 0 0 280.328 1.732 20 5 CDBDRN CC(C)N1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CC1=O ZINC000266841901 377561057 /nfs/dbraw/zinc/56/10/57/377561057.db2.gz HTDMQFGRXUQWGN-QMMMGPOBSA-N 0 0 296.302 1.737 20 5 CDBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1nc[nH]n1 ZINC000266848464 377571022 /nfs/dbraw/zinc/57/10/22/377571022.db2.gz BNRFXTMWOYIGNI-VIFPVBQESA-N 0 0 261.285 1.906 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000357802456 377695700 /nfs/dbraw/zinc/69/57/00/377695700.db2.gz KICNIPPKQHPQRD-QMMMGPOBSA-N 0 0 268.244 1.595 20 5 CDBDRN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000269998145 377822471 /nfs/dbraw/zinc/82/24/71/377822471.db2.gz LVZWSCOPEJMEPQ-AXTRIDKLSA-N 0 0 291.307 1.610 20 5 CDBDRN CO[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)C ZINC000547764347 377822908 /nfs/dbraw/zinc/82/29/08/377822908.db2.gz JXAJOTSIPBDPFA-QMMMGPOBSA-N 0 0 270.289 1.109 20 5 CDBDRN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000269968411 377826492 /nfs/dbraw/zinc/82/64/92/377826492.db2.gz ZHQHMCQBJSPNCU-ZYHUDNBSSA-N 0 0 278.308 1.970 20 5 CDBDRN CC[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173006714 377795873 /nfs/dbraw/zinc/79/58/73/377795873.db2.gz PJMJRPZYVPTTDP-SNVBAGLBSA-N 0 0 265.313 1.946 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1C[C@@H](O)C1 ZINC000296709139 377879870 /nfs/dbraw/zinc/87/98/70/377879870.db2.gz LCFRRCLHLGPJQT-KNVOCYPGSA-N 0 0 285.687 1.893 20 5 CDBDRN C[C@@H](CC(N)=O)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458892867 377851468 /nfs/dbraw/zinc/85/14/68/377851468.db2.gz UVMSSIMXNGCRQT-IUCAKERBSA-N 0 0 294.311 1.219 20 5 CDBDRN CC[C@H](C)[C@](C)(O)CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000439509433 249703629 /nfs/dbraw/zinc/70/36/29/249703629.db2.gz FDFWSUVGBJXTOS-JVXZTZIISA-N 0 0 284.316 1.153 20 5 CDBDRN CNC(=O)c1ccc(NCc2ccon2)c([N+](=O)[O-])c1 ZINC000147480689 378505189 /nfs/dbraw/zinc/50/51/89/378505189.db2.gz TYCPJPREDUSAFF-UHFFFAOYSA-N 0 0 276.252 1.555 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H](CO)[C@H]1CCOC1 ZINC000357664597 378746933 /nfs/dbraw/zinc/74/69/33/378746933.db2.gz UXOFCSIPYISPRD-NWDGAFQWSA-N 0 0 280.324 1.960 20 5 CDBDRN CC[C@H](O)CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000357692962 379001080 /nfs/dbraw/zinc/00/10/80/379001080.db2.gz SYSBNQBNKNMWFI-JTQLQIEISA-N 0 0 297.311 1.739 20 5 CDBDRN COC(=O)C[C@@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000443921951 250063538 /nfs/dbraw/zinc/06/35/38/250063538.db2.gz FTJXFWMVQFUUGU-MRVPVSSYSA-N 0 0 296.279 1.285 20 5 CDBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000267008121 379060329 /nfs/dbraw/zinc/06/03/29/379060329.db2.gz GJVWAWGGPZBFTF-SECBINFHSA-N 0 0 254.261 1.955 20 5 CDBDRN Nc1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000444835162 250195051 /nfs/dbraw/zinc/19/50/51/250195051.db2.gz GFMGRAAGHSJTHN-UHFFFAOYSA-N 0 0 295.302 1.985 20 5 CDBDRN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000445157380 250209662 /nfs/dbraw/zinc/20/96/62/250209662.db2.gz INMGPSFGRRLFQE-BDAKNGLRSA-N 0 0 295.295 1.240 20 5 CDBDRN CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCC1 ZINC000445003739 250202255 /nfs/dbraw/zinc/20/22/55/250202255.db2.gz JYLONTIRCJQFRC-UHFFFAOYSA-N 0 0 265.269 1.710 20 5 CDBDRN O=[N+]([O-])c1cccc(F)c1OC[C@@H]1CCS(=O)(=O)C1 ZINC000278778600 194150685 /nfs/dbraw/zinc/15/06/85/194150685.db2.gz YYXIUTPVWZQTOH-QMMMGPOBSA-N 0 0 289.284 1.547 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(F)(F)CO ZINC000446486559 250294434 /nfs/dbraw/zinc/29/44/34/250294434.db2.gz VYWOUEXNARZTNW-UHFFFAOYSA-N 0 0 289.238 1.652 20 5 CDBDRN Cc1cc(=O)n(CC(=O)c2nccs2)cc1[N+](=O)[O-] ZINC000447290445 250354075 /nfs/dbraw/zinc/35/40/75/250354075.db2.gz NJIFAEPIXGHTKD-UHFFFAOYSA-N 0 0 279.277 1.404 20 5 CDBDRN CCc1ccc(C(=O)NC[C@@H](C)C(=O)OC)cc1[N+](=O)[O-] ZINC000174165655 379389764 /nfs/dbraw/zinc/38/97/64/379389764.db2.gz ZGPZQIHEXCTWDK-SECBINFHSA-N 0 0 294.307 1.696 20 5 CDBDRN CCC[C@@H](CNc1c([N+](=O)[O-])ncn1C)C(=O)OCC ZINC000279051962 194264488 /nfs/dbraw/zinc/26/44/88/194264488.db2.gz KDGCHXHNUHXRGR-VIFPVBQESA-N 0 0 284.316 1.720 20 5 CDBDRN Cc1cc(N2CC(=O)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279115549 194291609 /nfs/dbraw/zinc/29/16/09/194291609.db2.gz SGFNNJLUFFCAEB-UHFFFAOYSA-N 0 0 261.281 1.672 20 5 CDBDRN C[C@H](O)CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000279134097 194298567 /nfs/dbraw/zinc/29/85/67/194298567.db2.gz NOYOGAJXLYYQOQ-NSHDSACASA-N 0 0 295.339 1.674 20 5 CDBDRN O=C1CN(CCOc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000279208820 194333233 /nfs/dbraw/zinc/33/32/33/194333233.db2.gz VWPJTEDICMIHFN-UHFFFAOYSA-N 0 0 291.307 1.238 20 5 CDBDRN Cn1[nH]cnc1=NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000450124255 251143195 /nfs/dbraw/zinc/14/31/95/251143195.db2.gz AMLJMGRYYRUDDO-UHFFFAOYSA-N 0 0 289.295 1.062 20 5 CDBDRN CC(C)OC(C)(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000450164500 251156465 /nfs/dbraw/zinc/15/64/65/251156465.db2.gz PKKUTLWYNNQQKF-UHFFFAOYSA-N 0 0 284.316 1.111 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2csc(NCCCO)n2)cc1 ZINC000450209625 251176170 /nfs/dbraw/zinc/17/61/70/251176170.db2.gz XFSMSPGRCRXJBF-UHFFFAOYSA-N 0 0 279.321 1.935 20 5 CDBDRN Cc1nc(NC[C@@H]2CCC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000450349755 251237919 /nfs/dbraw/zinc/23/79/19/251237919.db2.gz PKDUKGAFSHMVPA-NXEZZACHSA-N 0 0 266.301 1.078 20 5 CDBDRN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)[C@H]3CCCO3)nc2c1 ZINC000450488327 251308779 /nfs/dbraw/zinc/30/87/79/251308779.db2.gz GJEPPMKKCDICST-NWDGAFQWSA-N 0 0 292.295 1.423 20 5 CDBDRN C[C@H](O)CN(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450542037 251330250 /nfs/dbraw/zinc/33/02/50/251330250.db2.gz UOGMDRUKEJRQCM-VIFPVBQESA-N 0 0 261.281 1.960 20 5 CDBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[C@H]1CCOC1 ZINC000450627637 251374933 /nfs/dbraw/zinc/37/49/33/251374933.db2.gz IWGPEWFYOCUULW-VIFPVBQESA-N 0 0 290.275 1.617 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)nc1 ZINC000450805675 251478831 /nfs/dbraw/zinc/47/88/31/251478831.db2.gz DVBVBTIIVMFHRL-NQBHXWOUSA-N 0 0 277.324 1.977 20 5 CDBDRN COC[C@@]1(CO)CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000450892621 251528431 /nfs/dbraw/zinc/52/84/31/251528431.db2.gz FBKHRNNAMKPWHW-AWEZNQCLSA-N 0 0 296.323 1.439 20 5 CDBDRN Cc1nn(Cc2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000450961949 251560745 /nfs/dbraw/zinc/56/07/45/251560745.db2.gz SEAGINXZAYTYMH-UHFFFAOYSA-N 0 0 289.217 1.907 20 5 CDBDRN COC(=O)[C@@H](CC(C)C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000451259796 251658356 /nfs/dbraw/zinc/65/83/56/251658356.db2.gz CFQUXCXYCMLGNE-SNVBAGLBSA-N 0 0 298.343 1.348 20 5 CDBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC2(CC2)C1 ZINC000452277024 252006387 /nfs/dbraw/zinc/00/63/87/252006387.db2.gz LKSQPHDEBZXYLL-UHFFFAOYSA-N 0 0 299.290 1.412 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CC3(CC3)C2)c1[N+](=O)[O-] ZINC000452270154 252003874 /nfs/dbraw/zinc/00/38/74/252003874.db2.gz ARCRTZOZBVDIFP-UHFFFAOYSA-N 0 0 264.285 1.506 20 5 CDBDRN Cc1cc(C(=O)N(C)C(C)(C)C(N)=O)ccc1[N+](=O)[O-] ZINC000452631503 252120835 /nfs/dbraw/zinc/12/08/35/252120835.db2.gz JKCKPTABENKJQL-UHFFFAOYSA-N 0 0 279.296 1.239 20 5 CDBDRN CC[C@@H]1CCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000452515374 252084705 /nfs/dbraw/zinc/08/47/05/252084705.db2.gz BXXQLRZULBCXNX-BDAKNGLRSA-N 0 0 266.301 1.874 20 5 CDBDRN Cc1cn(C[C@@H](O)COCC(C)C)nc1[N+](=O)[O-] ZINC000280400548 194829099 /nfs/dbraw/zinc/82/90/99/194829099.db2.gz OGWKZXLNZPFQDP-SNVBAGLBSA-N 0 0 257.290 1.133 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NCC1(S(C)(=O)=O)CC1 ZINC000280567083 194884953 /nfs/dbraw/zinc/88/49/53/194884953.db2.gz VGHPZQAQBGNAFK-UHFFFAOYSA-N 0 0 284.337 1.892 20 5 CDBDRN C[C@@H](O)CCN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486946274 252863043 /nfs/dbraw/zinc/86/30/43/252863043.db2.gz YPGIDYWTRBOHRE-SECBINFHSA-N 0 0 292.295 1.852 20 5 CDBDRN COC(=O)C(C)(C)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000487329648 252885472 /nfs/dbraw/zinc/88/54/72/252885472.db2.gz BUKKEXWQKOMSPX-UHFFFAOYSA-N 0 0 295.295 1.201 20 5 CDBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000489610138 253005824 /nfs/dbraw/zinc/00/58/24/253005824.db2.gz LRRVBSGGACINCA-UHFFFAOYSA-N 0 0 272.264 1.357 20 5 CDBDRN CC[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490069481 253025935 /nfs/dbraw/zinc/02/59/35/253025935.db2.gz FKMYOVKPYZCRFK-ZDUSSCGKSA-N 0 0 266.297 1.955 20 5 CDBDRN CC[C@]1(O)CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000490055903 253026047 /nfs/dbraw/zinc/02/60/47/253026047.db2.gz PAIIXAPPUWFLLF-LBPRGKRZSA-N 0 0 251.286 1.649 20 5 CDBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CC[S@@](=O)C1 ZINC000491914073 253119985 /nfs/dbraw/zinc/11/99/85/253119985.db2.gz NBVCUESRMIUKOB-KHAJFBMFSA-N 0 0 294.332 1.245 20 5 CDBDRN C[C@]1(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000492264210 253186077 /nfs/dbraw/zinc/18/60/77/253186077.db2.gz QSTWVBMSYSFZLS-AFNCTOJWSA-N 0 0 276.292 1.903 20 5 CDBDRN COC[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000492495375 253231985 /nfs/dbraw/zinc/23/19/85/253231985.db2.gz WKMSMTDBNCQVQN-QDZRJHCZSA-N 0 0 294.307 1.386 20 5 CDBDRN O=C(/C=C/c1ccncn1)NCCc1ccccc1[N+](=O)[O-] ZINC000492734261 253282498 /nfs/dbraw/zinc/28/24/98/253282498.db2.gz JIPFHZFATAIBNO-AATRIKPKSA-N 0 0 298.302 1.757 20 5 CDBDRN CCn1cnnc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492827459 253303765 /nfs/dbraw/zinc/30/37/65/253303765.db2.gz GDTKJGMOSYZMSU-VMPITWQZSA-N 0 0 287.279 1.858 20 5 CDBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(C1CC1)C1COC1 ZINC000493053372 253357795 /nfs/dbraw/zinc/35/77/95/253357795.db2.gz CVWUQJAZAQJQCB-BAQGIRSFSA-N 0 0 288.303 1.998 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCCS(=O)(=O)CC2)c(F)c1 ZINC000368696647 285122898 /nfs/dbraw/zinc/12/28/98/285122898.db2.gz LZUZHNIROKICOB-UHFFFAOYSA-N 0 0 288.300 1.359 20 5 CDBDRN COCCOCCN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000288801370 533075424 /nfs/dbraw/zinc/07/54/24/533075424.db2.gz GAJNZTDLVAJCNP-UHFFFAOYSA-N 0 0 289.719 1.742 20 5 CDBDRN CC1(CO)CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493066823 253360855 /nfs/dbraw/zinc/36/08/55/253360855.db2.gz UMXHYVZVCRDMRF-SREVYHEPSA-N 0 0 276.292 1.449 20 5 CDBDRN O=C(/C=C/[C@@H]1CCOC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000493169049 253388444 /nfs/dbraw/zinc/38/84/44/253388444.db2.gz ULASCQKOXMGWJT-MJRJWQSSSA-N 0 0 276.292 1.804 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@H]([C@H]3CCOC3)C2)nc1 ZINC000374423141 285130090 /nfs/dbraw/zinc/13/00/90/285130090.db2.gz UWOPGVVABDMWBH-QWRGUYRKSA-N 0 0 263.297 1.853 20 5 CDBDRN O=[N+]([O-])c1ccc(N2C[C@H]3[C@H](CO)[C@H]3C2)c2ccncc21 ZINC000366177460 285134372 /nfs/dbraw/zinc/13/43/72/285134372.db2.gz NGGJUSPYLIPFSE-ITGUQSILSA-N 0 0 285.303 1.818 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1COCCO1)CC2 ZINC000450489736 285142668 /nfs/dbraw/zinc/14/26/68/285142668.db2.gz YEPBTVFYQYMXEU-AWEZNQCLSA-N 0 0 278.308 1.368 20 5 CDBDRN COCCOCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000289228079 197268870 /nfs/dbraw/zinc/26/88/70/197268870.db2.gz ZZLBEHKGAGFVQQ-UHFFFAOYSA-N 0 0 272.276 1.833 20 5 CDBDRN O=c1[nH]c(N2CCO[C@@H]3C[C@@H]32)nc2ccc([N+](=O)[O-])cc21 ZINC000368044055 285149922 /nfs/dbraw/zinc/14/99/22/285149922.db2.gz NZBYXCLKPSKWAO-WDEREUQCSA-N 0 0 288.263 1.221 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000496974452 253991145 /nfs/dbraw/zinc/99/11/45/253991145.db2.gz MYBKUOHZRIMAAN-DTWKUNHWSA-N 0 0 288.300 1.204 20 5 CDBDRN O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2F)N2CCSC[C@@H]12 ZINC000349159830 296389192 /nfs/dbraw/zinc/38/91/92/296389192.db2.gz NMCBJEUHFGBVGU-WDEREUQCSA-N 0 0 297.311 1.280 20 5 CDBDRN COC(=O)NCCC(=O)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000497156362 254027738 /nfs/dbraw/zinc/02/77/38/254027738.db2.gz WXNMDCBLKMOIJQ-UHFFFAOYSA-N 0 0 296.279 1.693 20 5 CDBDRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000497205587 254038261 /nfs/dbraw/zinc/03/82/61/254038261.db2.gz XNXKMRGQBYCVEO-RKDXNWHRSA-N 0 0 290.316 1.498 20 5 CDBDRN CNC(=O)OCCOC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000497209025 254038725 /nfs/dbraw/zinc/03/87/25/254038725.db2.gz JQCWRNPYMZOLTO-SECBINFHSA-N 0 0 296.279 1.598 20 5 CDBDRN COC(=O)c1cccc(Cl)c1Cn1cnc([N+](=O)[O-])n1 ZINC000505531916 254089056 /nfs/dbraw/zinc/08/90/56/254089056.db2.gz HKNPSQVHTCCADE-UHFFFAOYSA-N 0 0 296.670 1.675 20 5 CDBDRN C[C@@H](F)CCOc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000505666111 254091445 /nfs/dbraw/zinc/09/14/45/254091445.db2.gz WMVIQRJODKBIIL-SSDOTTSWSA-N 0 0 292.288 1.369 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)C(C)C ZINC000288940582 197196858 /nfs/dbraw/zinc/19/68/58/197196858.db2.gz RLSLKJZWIQIJQN-VIFPVBQESA-N 0 0 256.306 1.548 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCOC[C@H](C3CCC3)C2)nc1 ZINC000292370693 285175325 /nfs/dbraw/zinc/17/53/25/285175325.db2.gz SARIJGMDBHIHRJ-LLVKDONJSA-N 0 0 278.312 1.638 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccccc3)C2)nc1 ZINC000273549571 285175378 /nfs/dbraw/zinc/17/53/78/285175378.db2.gz AAPOUHCYXTUZGR-CYBMUJFWSA-N 0 0 286.291 1.963 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCOC3(CCOCC3)C2)nc1 ZINC000354584635 285180970 /nfs/dbraw/zinc/18/09/70/285180970.db2.gz HGPCFQSROPDUGF-SNVBAGLBSA-N 0 0 294.311 1.525 20 5 CDBDRN O=C1N[C@H](c2ccc([N+](=O)[O-])cc2F)N2CCSC[C@@H]12 ZINC000349159829 296395592 /nfs/dbraw/zinc/39/55/92/296395592.db2.gz 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CCOC(=O)C[C@@H](C)Sc1c([N+](=O)[O-])ncn1C ZINC000360358073 357085908 /nfs/dbraw/zinc/08/59/08/357085908.db2.gz DYAPYCHZUBUXNT-SSDOTTSWSA-N 0 0 273.314 1.762 20 5 CDBDRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1nccc1[N+](=O)[O-] ZINC000047169754 357153181 /nfs/dbraw/zinc/15/31/81/357153181.db2.gz JWFGMFBMEOSJTI-AOOOYVTPSA-N 0 0 266.301 1.581 20 5 CDBDRN COCCCOCCN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000286557796 357205645 /nfs/dbraw/zinc/20/56/45/357205645.db2.gz QPNOVYLOSCXMKU-UHFFFAOYSA-N 0 0 283.328 1.666 20 5 CDBDRN CCC(=O)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000274573386 192659118 /nfs/dbraw/zinc/65/91/18/192659118.db2.gz YAKVRQCWMHOPRK-UHFFFAOYSA-N 0 0 296.279 1.321 20 5 CDBDRN CC[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)OC ZINC000290522933 357211575 /nfs/dbraw/zinc/21/15/75/357211575.db2.gz UPDVWEDNPAATJM-NSHDSACASA-N 0 0 282.296 1.515 20 5 CDBDRN CCOCCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341254544 357211584 /nfs/dbraw/zinc/21/15/84/357211584.db2.gz FWDCBFXYPCOTCA-UHFFFAOYSA-N 0 0 267.285 1.532 20 5 CDBDRN CC[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000290529219 357212997 /nfs/dbraw/zinc/21/29/97/357212997.db2.gz UXQUZDSMTGMQGJ-SNVBAGLBSA-N 0 0 282.296 1.758 20 5 CDBDRN O=C(Nc1cncnc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000341268611 357217096 /nfs/dbraw/zinc/21/70/96/357217096.db2.gz GWIBXDFCWCFYDX-UHFFFAOYSA-N 0 0 262.200 1.776 20 5 CDBDRN O=[N+]([O-])c1ccc(OCC2(O)CCCC2)cc1CO ZINC000432248428 357219558 /nfs/dbraw/zinc/21/95/58/357219558.db2.gz ZPCANHMDLXETNY-UHFFFAOYSA-N 0 0 267.281 1.771 20 5 CDBDRN O=C(N[C@@H]1CCCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000180012406 357236006 /nfs/dbraw/zinc/23/60/06/357236006.db2.gz RYTNPZPVQPWHQG-MRVPVSSYSA-N 0 0 254.242 1.487 20 5 CDBDRN CN(c1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CCNC1=O ZINC000432334115 357245323 /nfs/dbraw/zinc/24/53/23/357245323.db2.gz IQWVPIXRGMAHHH-LBPRGKRZSA-N 0 0 286.291 1.468 20 5 CDBDRN CCN(C[C@H](C)O)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000341412865 357257384 /nfs/dbraw/zinc/25/73/84/357257384.db2.gz WZLVJCAOMMUXRG-NSHDSACASA-N 0 0 296.323 1.511 20 5 CDBDRN CCc1nn(C)c(NC[C@](C)(O)CSC)c1[N+](=O)[O-] ZINC000092830099 357264015 /nfs/dbraw/zinc/26/40/15/357264015.db2.gz UWTWCOCLRULRLD-NSHDSACASA-N 0 0 288.373 1.417 20 5 CDBDRN COCCCCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290688222 357268784 /nfs/dbraw/zinc/26/87/84/357268784.db2.gz UDIIVVVFPWTDMF-UHFFFAOYSA-N 0 0 282.300 1.317 20 5 CDBDRN Cc1c(NC(=O)N2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000181241069 357326759 /nfs/dbraw/zinc/32/67/59/357326759.db2.gz RYCJUFDABNWUJX-VIFPVBQESA-N 0 0 265.269 1.502 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCNC(=O)C1 ZINC000182599590 357442370 /nfs/dbraw/zinc/44/23/70/357442370.db2.gz PMQYCVVSFRHKKQ-SNVBAGLBSA-N 0 0 263.297 1.396 20 5 CDBDRN NC(=O)c1ccnc(NC[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000290737963 357500403 /nfs/dbraw/zinc/50/04/03/357500403.db2.gz GUMOTGNNMMICNZ-SCZZXKLOSA-N 0 0 294.311 1.052 20 5 CDBDRN COCC[C@@H]1COCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000365799702 357464057 /nfs/dbraw/zinc/46/40/57/357464057.db2.gz NSAHWELSOXSWSW-LLVKDONJSA-N 0 0 284.287 1.976 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H]2C)c1 ZINC000282827561 357477981 /nfs/dbraw/zinc/47/79/81/357477981.db2.gz LDWAHNLSSWDJBB-JOYOIKCWSA-N 0 0 294.307 1.901 20 5 CDBDRN C/C=C/C[C@@H](CO)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000185555298 357555635 /nfs/dbraw/zinc/55/56/35/357555635.db2.gz FDRCIXDFNGTCDQ-JDGPPOGSSA-N 0 0 293.323 1.721 20 5 CDBDRN C[C@H](NC(N)=O)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294160381 198932003 /nfs/dbraw/zinc/93/20/03/198932003.db2.gz QQZUJBJDVFHLIB-QMMMGPOBSA-N 0 0 294.311 1.003 20 5 CDBDRN COCCN1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610272636 357679355 /nfs/dbraw/zinc/67/93/55/357679355.db2.gz HJJKERPSYVLJLM-UHFFFAOYSA-N 0 0 271.342 1.425 20 5 CDBDRN CO[C@@H](C)CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286664972 357659744 /nfs/dbraw/zinc/65/97/44/357659744.db2.gz XIESFNHHQGMFCQ-QMMMGPOBSA-N 0 0 292.295 1.578 20 5 CDBDRN CCOC[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187163086 357735671 /nfs/dbraw/zinc/73/56/71/357735671.db2.gz QBYFSYADXSBCSO-SECBINFHSA-N 0 0 295.295 1.194 20 5 CDBDRN NC(=O)C1(O)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000289184458 283281924 /nfs/dbraw/zinc/28/19/24/283281924.db2.gz SIIIYFJCDLZWIU-UHFFFAOYSA-N 0 0 299.714 1.065 20 5 CDBDRN CCCc1n[nH]c(C(=O)NCC[C@@H](C)OC)c1[N+](=O)[O-] ZINC000264657396 357750769 /nfs/dbraw/zinc/75/07/69/357750769.db2.gz HFOGSKGDZQNGHE-MRVPVSSYSA-N 0 0 284.316 1.425 20 5 CDBDRN CCc1nocc1CN(C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000294246692 198967813 /nfs/dbraw/zinc/96/78/13/198967813.db2.gz VXCHUXYCODZEPG-UHFFFAOYSA-N 0 0 293.283 1.449 20 5 CDBDRN CC[C@@H](C)[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000360951088 357756670 /nfs/dbraw/zinc/75/66/70/357756670.db2.gz KCDVBSISVJHHOC-BXKDBHETSA-N 0 0 295.339 1.773 20 5 CDBDRN Cc1cnccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000187448102 357765161 /nfs/dbraw/zinc/76/51/61/357765161.db2.gz KQYBYNCZAQIKKT-UHFFFAOYSA-N 0 0 289.295 1.201 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H](O)C(C)C ZINC000360993877 357766849 /nfs/dbraw/zinc/76/68/49/357766849.db2.gz FLXMBCAIXFNCIR-SNVBAGLBSA-N 0 0 270.333 1.939 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCOC[C@H]1C[C@H](C)O ZINC000361009211 357772291 /nfs/dbraw/zinc/77/22/91/357772291.db2.gz ZEZFMZOHRNRMKC-GXSJLCMTSA-N 0 0 298.343 1.096 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)[C@@H]2CCOC2)n1 ZINC000360874690 357729260 /nfs/dbraw/zinc/72/92/60/357729260.db2.gz UNMNNUMXWDNESD-MWLCHTKSSA-N 0 0 267.285 1.108 20 5 CDBDRN O=C(NO[C@H]1CCCCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135224728 357798075 /nfs/dbraw/zinc/79/80/75/357798075.db2.gz ZCOYYQGSKDSKAR-NSHDSACASA-N 0 0 284.243 1.922 20 5 CDBDRN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000408072581 357810604 /nfs/dbraw/zinc/81/06/04/357810604.db2.gz NTIPZPNXAFAKNW-UWVGGRQHSA-N 0 0 295.314 1.899 20 5 CDBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000361197526 357822912 /nfs/dbraw/zinc/82/29/12/357822912.db2.gz HUVWFZRGRRJMHI-LBPRGKRZSA-N 0 0 296.298 1.914 20 5 CDBDRN CC1(C)CC[C@@H](Cn2cc([N+](=O)[O-])ccc2=O)O1 ZINC000187655721 357790482 /nfs/dbraw/zinc/79/04/82/357790482.db2.gz RMDYGAMSVCQOIF-JTQLQIEISA-N 0 0 252.270 1.714 20 5 CDBDRN C[C@H](O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000208647661 357828920 /nfs/dbraw/zinc/82/89/20/357828920.db2.gz QUEGWAXGKIODSJ-WYDVEAGSSA-N 0 0 250.254 1.105 20 5 CDBDRN C[C@@H](O)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294495507 199061309 /nfs/dbraw/zinc/06/13/09/199061309.db2.gz VCDCLKOGSHUOMT-ZCFIWIBFSA-N 0 0 292.213 1.724 20 5 CDBDRN CC(C)(CCC(=O)NCCc1cccnc1)[N+](=O)[O-] ZINC000294474205 199053705 /nfs/dbraw/zinc/05/37/05/199053705.db2.gz OPJJHFCPNGKMCX-UHFFFAOYSA-N 0 0 265.313 1.576 20 5 CDBDRN O=C(N[C@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000189127218 357974277 /nfs/dbraw/zinc/97/42/77/357974277.db2.gz IDZJAIPXWKCLFT-GWCFXTLKSA-N 0 0 278.308 1.876 20 5 CDBDRN COC[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000121236933 363594092 /nfs/dbraw/zinc/59/40/92/363594092.db2.gz RIXCCPZBMZSIJP-CQSZACIVSA-N 0 0 296.323 1.305 20 5 CDBDRN CO[C@](C)(c1nc(-c2c([N+](=O)[O-])ncn2C)no1)C1CC1 ZINC000361249609 358017827 /nfs/dbraw/zinc/01/78/27/358017827.db2.gz GFNZYENVLGHGTN-LBPRGKRZSA-N 0 0 293.283 1.650 20 5 CDBDRN CCC[C@@H](O)[C@H](CO)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000412524518 535397357 /nfs/dbraw/zinc/39/73/57/535397357.db2.gz KZTXNIIMFPPKEL-WCQYABFASA-N 0 0 296.323 1.155 20 5 CDBDRN CCC[C@@H](O)[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000413497534 535400119 /nfs/dbraw/zinc/40/01/19/535400119.db2.gz SYFCZQJRMWRQPH-CMPLNLGQSA-N 0 0 254.286 1.529 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(C2CCC2)CC1 ZINC000408149505 358178478 /nfs/dbraw/zinc/17/84/78/358178478.db2.gz IUJULVNKBOUPIS-UHFFFAOYSA-N 0 0 278.312 1.233 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CO)CC1 ZINC000294709582 199145991 /nfs/dbraw/zinc/14/59/91/199145991.db2.gz XZAQRPSFNMITFY-SNVBAGLBSA-N 0 0 293.323 1.412 20 5 CDBDRN C[C@@H](CNc1ncc([N+](=O)[O-])s1)c1nncn1C ZINC000192545243 358215326 /nfs/dbraw/zinc/21/53/26/358215326.db2.gz OFEBIWDSCUAWRE-LURJTMIESA-N 0 0 268.302 1.395 20 5 CDBDRN CCc1[nH]nc(C(=O)Nc2cncc(C)c2)c1[N+](=O)[O-] ZINC000192686616 358227550 /nfs/dbraw/zinc/22/75/50/358227550.db2.gz ZTHZPVREKZEPRB-UHFFFAOYSA-N 0 0 275.268 1.836 20 5 CDBDRN NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000052392115 283355209 /nfs/dbraw/zinc/35/52/09/283355209.db2.gz UIWOBZGFJXHRTL-ZETCQYMHSA-N 0 0 269.688 1.560 20 5 CDBDRN Cc1ccc(C(N)=O)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294803442 199190165 /nfs/dbraw/zinc/19/01/65/199190165.db2.gz UORHIHUHSILWCG-UHFFFAOYSA-N 0 0 293.323 1.868 20 5 CDBDRN CC(C)(C)N1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])CC1=O ZINC000193463065 358296221 /nfs/dbraw/zinc/29/62/21/358296221.db2.gz YQXUAXZMLOQSLG-SNVBAGLBSA-N 0 0 292.339 1.988 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCc3c[nH]nc3C2)c(Cl)c1 ZINC000611006851 358307165 /nfs/dbraw/zinc/30/71/65/358307165.db2.gz NUVFQIYAPAJSPQ-UHFFFAOYSA-N 0 0 279.687 1.929 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCCCCO ZINC000193286145 358281500 /nfs/dbraw/zinc/28/15/00/358281500.db2.gz SKOHNLMQWWJMRC-UHFFFAOYSA-N 0 0 252.270 1.026 20 5 CDBDRN CC(C)N(Cc1nnn(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000193309084 358284829 /nfs/dbraw/zinc/28/48/29/358284829.db2.gz QRKCABQHALPCKI-UHFFFAOYSA-N 0 0 290.327 1.529 20 5 CDBDRN CSCC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193680724 358315530 /nfs/dbraw/zinc/31/55/30/358315530.db2.gz FLAMEGVTZMSHGG-MRVPVSSYSA-N 0 0 299.352 1.909 20 5 CDBDRN CCOC[C@H](O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000193824744 358324810 /nfs/dbraw/zinc/32/48/10/358324810.db2.gz RQYAPDRCNYKDFI-JTQLQIEISA-N 0 0 255.270 1.679 20 5 CDBDRN CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)[C@@H]1OC ZINC000294864158 199220061 /nfs/dbraw/zinc/22/00/61/199220061.db2.gz DGWOIZOWBNCGPK-IEBDPFPHSA-N 0 0 282.300 1.298 20 5 CDBDRN COC(=O)[C@](C)(O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000361674609 358424610 /nfs/dbraw/zinc/42/46/10/358424610.db2.gz 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BOCXUPOYVYREPG-YUMQZZPRSA-N 0 0 284.291 1.844 20 5 CDBDRN O=[N+]([O-])c1ccc(N(CCO)C2CCOCC2)c(F)c1 ZINC000275435465 193035004 /nfs/dbraw/zinc/03/50/04/193035004.db2.gz FIWJMJZUWFKICG-UHFFFAOYSA-N 0 0 284.287 1.712 20 5 CDBDRN CN(C)c1noc(CNc2ncc([N+](=O)[O-])cc2F)n1 ZINC000413232455 240584613 /nfs/dbraw/zinc/58/46/13/240584613.db2.gz OSWOGBUERVWRAC-UHFFFAOYSA-N 0 0 282.235 1.190 20 5 CDBDRN CNC(=O)[C@@H](C)CN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000275478120 193053495 /nfs/dbraw/zinc/05/34/95/193053495.db2.gz PGSNFAVYVXMDST-JTQLQIEISA-N 0 0 265.313 1.722 20 5 CDBDRN COC(=O)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275506335 193061332 /nfs/dbraw/zinc/06/13/32/193061332.db2.gz FMEATWRPZGAAPB-SECBINFHSA-N 0 0 295.295 1.976 20 5 CDBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC(C2CCC2)C1 ZINC000563985188 365347744 /nfs/dbraw/zinc/34/77/44/365347744.db2.gz ANFJSNAWMYRYOU-UHFFFAOYSA-N 0 0 250.258 1.190 20 5 CDBDRN CC(C)(O)C1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275684990 193105479 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250.258 1.156 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(CF)C1 ZINC000416592812 242065782 /nfs/dbraw/zinc/06/57/82/242065782.db2.gz OUSPZRZWAARDPT-UHFFFAOYSA-N 0 0 288.300 1.493 20 5 CDBDRN CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(F)F ZINC000090524575 367568199 /nfs/dbraw/zinc/56/81/99/367568199.db2.gz ICIMDESDANUXIB-UHFFFAOYSA-N 0 0 289.282 1.734 20 5 CDBDRN CCC[C@H]1C(=O)NCCN1c1ncccc1[N+](=O)[O-] ZINC000270756907 283959881 /nfs/dbraw/zinc/95/98/81/283959881.db2.gz CADFIDKFTJYWQS-JTQLQIEISA-N 0 0 264.285 1.095 20 5 CDBDRN CC(C)(CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272332110 367677829 /nfs/dbraw/zinc/67/78/29/367677829.db2.gz LSNUSINOBWQTPP-UHFFFAOYSA-N 0 0 286.715 1.678 20 5 CDBDRN C[C@@H](CCCO)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000094945615 367739237 /nfs/dbraw/zinc/73/92/37/367739237.db2.gz YMSFGWLFKFRRCQ-JTQLQIEISA-N 0 0 282.296 1.251 20 5 CDBDRN CN1CC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000272477185 367740413 /nfs/dbraw/zinc/74/04/13/367740413.db2.gz RFUCUKKGKDZYQM-UHFFFAOYSA-N 0 0 263.253 1.031 20 5 CDBDRN CC(C)[C@@H](CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000456172392 252416829 /nfs/dbraw/zinc/41/68/29/252416829.db2.gz HGOOBCHLJYPPPS-MFKMUULPSA-N 0 0 297.355 1.942 20 5 CDBDRN C[C@@H]1C[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])CCO1 ZINC000272725934 367812159 /nfs/dbraw/zinc/81/21/59/367812159.db2.gz ODYHKLIFLUMZGQ-ZJUUUORDSA-N 0 0 294.311 1.926 20 5 CDBDRN CC[C@@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275912118 193161336 /nfs/dbraw/zinc/16/13/36/193161336.db2.gz RTGPBDQTGGJPHB-LBPRGKRZSA-N 0 0 267.285 1.300 20 5 CDBDRN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000387354015 367814175 /nfs/dbraw/zinc/81/41/75/367814175.db2.gz VPYVVEPCSULASZ-JOYOIKCWSA-N 0 0 266.297 1.413 20 5 CDBDRN COCC[C@@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000299602816 367795526 /nfs/dbraw/zinc/79/55/26/367795526.db2.gz GISJGPGAIKTNQY-LLVKDONJSA-N 0 0 295.339 1.938 20 5 CDBDRN Nc1nc(NC[C@@H]2Cc3ccccc3O2)ncc1[N+](=O)[O-] ZINC000301113177 367805854 /nfs/dbraw/zinc/80/58/54/367805854.db2.gz PLYBDFVQDWEHNO-VIFPVBQESA-N 0 0 287.279 1.383 20 5 CDBDRN CCONC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282368726 367852401 /nfs/dbraw/zinc/85/24/01/367852401.db2.gz IDVQDQYJNYFMJO-UHFFFAOYSA-N 0 0 267.285 1.730 20 5 CDBDRN O=C(N[C@@H]1C=CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185836185 284016628 /nfs/dbraw/zinc/01/66/28/284016628.db2.gz DUPHNCFHCOACNC-SECBINFHSA-N 0 0 263.253 1.534 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1Oc1ccc2nnnn2n1 ZINC000301166795 368151493 /nfs/dbraw/zinc/15/14/93/368151493.db2.gz VRRTYZACZYCKKK-UHFFFAOYSA-N 0 0 288.223 1.228 20 5 CDBDRN Cc1c(CC(=O)NCC[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000125284904 368227707 /nfs/dbraw/zinc/22/77/07/368227707.db2.gz UNVBWFIVVHDLNC-AWEZNQCLSA-N 0 0 294.351 1.969 20 5 CDBDRN COC(=O)[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000248897427 284071690 /nfs/dbraw/zinc/07/16/90/284071690.db2.gz JYTVIXRFHBBQLJ-GXSJLCMTSA-N 0 0 293.323 1.934 20 5 CDBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1CC[C@@H]1CCCO1 ZINC000276047932 193197812 /nfs/dbraw/zinc/19/78/12/193197812.db2.gz HYXVIHTYNMDEDC-VIFPVBQESA-N 0 0 272.688 1.979 20 5 CDBDRN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCSC1 ZINC000420630364 244295682 /nfs/dbraw/zinc/29/56/82/244295682.db2.gz RWNNTXBBIQZNKP-MRVPVSSYSA-N 0 0 281.337 1.859 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3nnnn3CC2)c1 ZINC000420634396 244298853 /nfs/dbraw/zinc/29/88/53/244298853.db2.gz CVVQYRBXPICSJP-JTQLQIEISA-N 0 0 288.311 1.707 20 5 CDBDRN NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@@H](F)C1 ZINC000420607490 244278527 /nfs/dbraw/zinc/27/85/27/244278527.db2.gz ANBCXTPLAICOJC-HTQZYQBOSA-N 0 0 267.260 1.996 20 5 CDBDRN NC(=O)CC1(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000420607824 244279357 /nfs/dbraw/zinc/27/93/57/244279357.db2.gz FCAJXEMXUNYRBP-UHFFFAOYSA-N 0 0 284.703 1.711 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@H]2CCc3nnnn3CC2)cc1 ZINC000420632724 244299724 /nfs/dbraw/zinc/29/97/24/244299724.db2.gz AXHBCEMLJOHONC-JTQLQIEISA-N 0 0 274.284 1.398 20 5 CDBDRN C[C@@H]1C[C@@H](C(=O)N(C)c2ccc([N+](=O)[O-])nc2)CCO1 ZINC000330858501 203321533 /nfs/dbraw/zinc/32/15/33/203321533.db2.gz UYWGMXMTYKHSAE-ZJUUUORDSA-N 0 0 279.296 1.768 20 5 CDBDRN O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000367833841 370966023 /nfs/dbraw/zinc/96/60/23/370966023.db2.gz SSZJUHBXIYOJKV-CYBMUJFWSA-N 0 0 294.355 1.540 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](CO)OC[C@@H]1C ZINC000129823992 369598574 /nfs/dbraw/zinc/59/85/74/369598574.db2.gz SBVHVKHNGOHCFG-GWCFXTLKSA-N 0 0 296.323 1.185 20 5 CDBDRN CCOc1ccc(C(=O)N2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331011354 203463728 /nfs/dbraw/zinc/46/37/28/203463728.db2.gz NHULIYONTKNFJU-GXSJLCMTSA-N 0 0 294.307 1.589 20 5 CDBDRN CNC(=O)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000456491336 252436992 /nfs/dbraw/zinc/43/69/92/252436992.db2.gz YGAGCWQSAVCTFU-MRVPVSSYSA-N 0 0 279.296 1.158 20 5 CDBDRN CCC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276604919 193397728 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293.323 1.573 20 5 CDBDRN O=C(Nc1ccc2n[nH]cc2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548410701 289881186 /nfs/dbraw/zinc/88/11/86/289881186.db2.gz IBPYUZDLJNNUCL-UHFFFAOYSA-N 0 0 272.224 1.447 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CCc2nnc(N)cc2C1 ZINC000548613424 289904610 /nfs/dbraw/zinc/90/46/10/289904610.db2.gz UWADHXSONAVMRB-UHFFFAOYSA-N 0 0 285.307 1.668 20 5 CDBDRN C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000277972648 289927469 /nfs/dbraw/zinc/92/74/69/289927469.db2.gz FIOPKPJOJFVPIG-KWQFWETISA-N 0 0 295.295 1.383 20 5 CDBDRN CC(C)n1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000552528465 290074491 /nfs/dbraw/zinc/07/44/91/290074491.db2.gz UWAZOPJKSAAKQX-UHFFFAOYSA-N 0 0 289.295 1.697 20 5 CDBDRN CNc1nccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000553190321 290101432 /nfs/dbraw/zinc/10/14/32/290101432.db2.gz MDEQRDAMJIGIMG-UWVGGRQHSA-N 0 0 292.339 1.572 20 5 CDBDRN Cc1cnccc1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000553221768 290104621 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Cc1[nH][nH]c(=O)c1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000557569323 290353476 /nfs/dbraw/zinc/35/34/76/290353476.db2.gz GODMZRAKQXPGSW-QMMMGPOBSA-N 0 0 280.259 1.658 20 5 CDBDRN Cc1cc2c(cc1NC(=O)c1c[nH]nc1[N+](=O)[O-])OCO2 ZINC000558767220 290424170 /nfs/dbraw/zinc/42/41/70/290424170.db2.gz FXSAULBBZPHMQK-UHFFFAOYSA-N 0 0 290.235 1.607 20 5 CDBDRN Cc1cnc(N2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000408239903 292910015 /nfs/dbraw/zinc/91/00/15/292910015.db2.gz GNECUGMAPIJGGE-UHFFFAOYSA-N 0 0 251.286 1.913 20 5 CDBDRN C[C@H](C(=O)NCCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000562299552 293130535 /nfs/dbraw/zinc/13/05/35/293130535.db2.gz IYGOPVIGGNJJAU-JTQLQIEISA-N 0 0 289.295 1.106 20 5 CDBDRN Cc1nc(N2CCO[C@@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC000297384497 293299513 /nfs/dbraw/zinc/29/95/13/293299513.db2.gz DRHOAMUAQLBXRN-ZYHUDNBSSA-N 0 0 278.312 1.841 20 5 CDBDRN CNc1nccc(C(=O)N[C@@H]2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000564345685 293347665 /nfs/dbraw/zinc/34/76/65/293347665.db2.gz 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O=C(NC[C@H]1C=CCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000914285282 631312500 /nfs/dbraw/zinc/31/25/00/631312500.db2.gz QCDKDLDILVISBS-GXFFZTMASA-N 0 0 276.292 1.711 20 5 CDBDRN CSC[C@H](CCO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000153067464 631451442 /nfs/dbraw/zinc/45/14/42/631451442.db2.gz POFCTIUTPJBIDL-VIFPVBQESA-N 0 0 299.352 1.021 20 5 CDBDRN Cc1cc(C(=O)NC[C@@]2(C)CCCO2)c(N)c([N+](=O)[O-])c1 ZINC000153303334 631544751 /nfs/dbraw/zinc/54/47/51/631544751.db2.gz ITWIUBPKYITLSL-CQSZACIVSA-N 0 0 293.323 1.784 20 5 CDBDRN COc1ccc(C(=O)O[C@H](C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000916608016 632035133 /nfs/dbraw/zinc/03/51/33/632035133.db2.gz FXUNZDZCHLXTBY-NSHDSACASA-N 0 0 296.279 1.270 20 5 CDBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCCCF)cc1[N+](=O)[O-] ZINC000154149125 632064404 /nfs/dbraw/zinc/06/44/04/632064404.db2.gz OEMSDPFWSQHSBM-UHFFFAOYSA-N 0 0 285.231 1.901 20 5 CDBDRN Cn1c(C(=O)NCc2nc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000917765147 632276768 /nfs/dbraw/zinc/27/67/68/632276768.db2.gz 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ZINC000272880465 191956383 /nfs/dbraw/zinc/95/63/83/191956383.db2.gz GRCSQLCXHLFNEH-UHFFFAOYSA-N 0 0 268.317 1.317 20 5 CDBDRN Cc1c(NC(=O)NCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000304292266 356106783 /nfs/dbraw/zinc/10/67/83/356106783.db2.gz MRDVVYFOVGDUAN-UHFFFAOYSA-N 0 0 279.296 1.940 20 5 CDBDRN COC(=O)c1cc(C)nc(N2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000285599847 356065681 /nfs/dbraw/zinc/06/56/81/356065681.db2.gz LOWIDPSURCLVLM-VIFPVBQESA-N 0 0 295.295 1.046 20 5 CDBDRN CCSCCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000559053521 356085559 /nfs/dbraw/zinc/08/55/59/356085559.db2.gz JWNXFSAHVOHRQT-UHFFFAOYSA-N 0 0 258.303 1.191 20 5 CDBDRN CNc1ccc(C(=O)N2CC(C)(COC)C2)cc1[N+](=O)[O-] ZINC000577932923 356098195 /nfs/dbraw/zinc/09/81/95/356098195.db2.gz VFHZZBSHSZGWNL-UHFFFAOYSA-N 0 0 293.323 1.745 20 5 CDBDRN CNc1nccc(C(=O)N2CC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000578142156 356170406 /nfs/dbraw/zinc/17/04/06/356170406.db2.gz CKWSYHRJOXCZBR-VIFPVBQESA-N 0 0 292.339 1.714 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NCCS(C)(=O)=O ZINC000097637345 356230409 /nfs/dbraw/zinc/23/04/09/356230409.db2.gz FALNNLFSGKVZTC-UHFFFAOYSA-N 0 0 258.299 1.360 20 5 CDBDRN C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000286231282 356234874 /nfs/dbraw/zinc/23/48/74/356234874.db2.gz UHWHJRVPCVGUDU-WPRPVWTQSA-N 0 0 279.296 1.110 20 5 CDBDRN Cc1cc(C(=O)N2CCC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000134421616 356268952 /nfs/dbraw/zinc/26/89/52/356268952.db2.gz LCASVGRZADITMN-GFCCVEGCSA-N 0 0 264.281 1.500 20 5 CDBDRN C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccs1 ZINC000286297785 356246513 /nfs/dbraw/zinc/24/65/13/356246513.db2.gz WXHAUQXKSMKSNC-LLVKDONJSA-N 0 0 296.308 1.017 20 5 CDBDRN CC(=O)N[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336843353 356297389 /nfs/dbraw/zinc/29/73/89/356297389.db2.gz WPRNVZKJAXANSG-NSHDSACASA-N 0 0 281.287 1.444 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)CO ZINC000164864424 356305124 /nfs/dbraw/zinc/30/51/24/356305124.db2.gz 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ZINC000360365282 357087193 /nfs/dbraw/zinc/08/71/93/357087193.db2.gz RGEJAIXVQVVTIH-JGVFFNPUSA-N 0 0 270.264 1.432 20 5 CDBDRN CCN(C[C@H](C)O)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000341366117 357239735 /nfs/dbraw/zinc/23/97/35/357239735.db2.gz LWXSECLVDWZJGO-VIFPVBQESA-N 0 0 291.307 1.919 20 5 CDBDRN CO[C@@H](C)Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000180979751 357299243 /nfs/dbraw/zinc/29/92/43/357299243.db2.gz WVXAYGBQADDCLL-QMMMGPOBSA-N 0 0 279.252 1.446 20 5 CDBDRN CCN(C[C@H](C)O)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000341393797 357251530 /nfs/dbraw/zinc/25/15/30/357251530.db2.gz XWMCNWNRNKGOIB-VIFPVBQESA-N 0 0 282.296 1.446 20 5 CDBDRN CCc1nn(C)c(N2CCCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000341405221 357259298 /nfs/dbraw/zinc/25/92/98/357259298.db2.gz JOOXPIATTHUAEQ-JTQLQIEISA-N 0 0 282.344 1.896 20 5 CDBDRN CCN(C[C@H](C)O)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000341407787 357261763 /nfs/dbraw/zinc/26/17/63/357261763.db2.gz RSLLFROGEROMDF-JTQLQIEISA-N 0 0 266.297 1.746 20 5 CDBDRN 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CC(=O)c1ccc(NC[C@H](O)C(F)F)c([N+](=O)[O-])c1 ZINC000351859236 370411647 /nfs/dbraw/zinc/41/16/47/370411647.db2.gz CFKGTTXPDUUAKP-JTQLQIEISA-N 0 0 274.223 1.835 20 5 CDBDRN C[C@H](CCCCO)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000295509564 370444703 /nfs/dbraw/zinc/44/47/03/370444703.db2.gz PHJCDPUYZYUGAT-LLVKDONJSA-N 0 0 296.323 1.641 20 5 CDBDRN C[C@@H](CCCCO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000295548920 370476704 /nfs/dbraw/zinc/47/67/04/370476704.db2.gz TVMRRYOUBAYHBX-VIFPVBQESA-N 0 0 281.312 1.458 20 5 CDBDRN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000295574369 370491976 /nfs/dbraw/zinc/49/19/76/370491976.db2.gz BNDFHCPYGPFEME-DTORHVGOSA-N 0 0 256.208 1.727 20 5 CDBDRN Cc1ccc(O)c(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000295642625 370538026 /nfs/dbraw/zinc/53/80/26/370538026.db2.gz DUQPUHROYDGWLS-UHFFFAOYSA-N 0 0 267.285 1.870 20 5 CDBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC(=O)N1 ZINC000295648112 370548366 /nfs/dbraw/zinc/54/83/66/370548366.db2.gz CTCPABZXUDOKPZ-SECBINFHSA-N 0 0 286.291 1.468 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CF)C1 ZINC000331352358 203750302 /nfs/dbraw/zinc/75/03/02/203750302.db2.gz OOSPWLHCILQIOF-LLVKDONJSA-N 0 0 282.271 1.714 20 5 CDBDRN CO[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269541539 370555733 /nfs/dbraw/zinc/55/57/33/370555733.db2.gz VKLTVYDDDXQMTB-QMMMGPOBSA-N 0 0 282.300 1.302 20 5 CDBDRN CN(CC(C)(C)CO)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000295779944 370638405 /nfs/dbraw/zinc/63/84/05/370638405.db2.gz DILAWLCCUQKWRD-UHFFFAOYSA-N 0 0 266.297 1.685 20 5 CDBDRN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1cnn(C)c1 ZINC000266207961 371071562 /nfs/dbraw/zinc/07/15/62/371071562.db2.gz FMHRATDTNNTUJE-SSDOTTSWSA-N 0 0 250.262 1.235 20 5 CDBDRN COC[C@@H]1CN(c2cc([N+](=O)[O-])ccc2C(C)=O)CCO1 ZINC000367925588 371132535 /nfs/dbraw/zinc/13/25/35/371132535.db2.gz GRBKHJNEJSSKNS-LBPRGKRZSA-N 0 0 294.307 1.649 20 5 CDBDRN CC1(C)C(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000331642079 204037803 /nfs/dbraw/zinc/03/78/03/204037803.db2.gz JURZLPASHANNTC-UHFFFAOYSA-N 0 0 280.328 1.590 20 5 CDBDRN CC(C)(C)C1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000331608965 204008981 /nfs/dbraw/zinc/00/89/81/204008981.db2.gz WGDDSQUEXRMGJR-UHFFFAOYSA-N 0 0 252.274 1.436 20 5 CDBDRN CN(CC(=O)N(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000266223499 371382854 /nfs/dbraw/zinc/38/28/54/371382854.db2.gz BEHNJPKVNHIFHS-UHFFFAOYSA-N 0 0 263.297 1.652 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCCO1 ZINC000078809006 284283863 /nfs/dbraw/zinc/28/38/63/284283863.db2.gz XOHNMOQXEAMASW-SNVBAGLBSA-N 0 0 272.207 1.991 20 5 CDBDRN CC1(O)CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000332432317 204690221 /nfs/dbraw/zinc/69/02/21/204690221.db2.gz JGQKIJVXDJWXKV-UHFFFAOYSA-N 0 0 286.234 1.009 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)C1CCC1 ZINC000332454563 204714059 /nfs/dbraw/zinc/71/40/59/204714059.db2.gz NZLPVGGEPFQLCQ-UHFFFAOYSA-N 0 0 279.296 1.285 20 5 CDBDRN CNc1c(C(=O)NC[C@@H](OC)C2CC2)cccc1[N+](=O)[O-] ZINC000356444778 372842632 /nfs/dbraw/zinc/84/26/32/372842632.db2.gz FGTSMFVLZXMLKU-GFCCVEGCSA-N 0 0 293.323 1.791 20 5 CDBDRN Cc1ncc(CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)s1 ZINC000356449655 372847112 /nfs/dbraw/zinc/84/71/12/372847112.db2.gz AXCFFTRWSGFLLC-UHFFFAOYSA-N 0 0 295.324 1.365 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)(O)CC2)c1 ZINC000177778159 372897577 /nfs/dbraw/zinc/89/75/77/372897577.db2.gz MATBBOMRCFCYKN-UHFFFAOYSA-N 0 0 294.307 1.590 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000356736223 373040497 /nfs/dbraw/zinc/04/04/97/373040497.db2.gz KINKCXXSTZSRKQ-GXSJLCMTSA-N 0 0 294.311 1.016 20 5 CDBDRN C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)CCO1 ZINC000356742483 373044953 /nfs/dbraw/zinc/04/49/53/373044953.db2.gz KFMVREUVJSFYHU-UWVGGRQHSA-N 0 0 296.327 1.263 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)CC(C)(C)C ZINC000269632281 373236464 /nfs/dbraw/zinc/23/64/64/373236464.db2.gz MDYBXGOQNPCWSV-JTQLQIEISA-N 0 0 298.343 1.013 20 5 CDBDRN O=[N+]([O-])c1cccnc1NC[C@@H](O)C1CCOCC1 ZINC000301318211 373501794 /nfs/dbraw/zinc/50/17/94/373501794.db2.gz CCRDRECGVMZJOY-LLVKDONJSA-N 0 0 267.285 1.189 20 5 CDBDRN CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298343179 373518680 /nfs/dbraw/zinc/51/86/80/373518680.db2.gz PIHIUSBUZHJUKG-UHFFFAOYSA-N 0 0 252.270 1.703 20 5 CDBDRN O=C(N[C@H]1CCCOC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000170935396 373524605 /nfs/dbraw/zinc/52/46/05/373524605.db2.gz SGYBTFJWPAMQEC-QMMMGPOBSA-N 0 0 290.279 1.380 20 5 CDBDRN CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ncc[nH]1 ZINC000139780030 373544010 /nfs/dbraw/zinc/54/40/10/373544010.db2.gz YDUIDRFZRCLUDF-SSDOTTSWSA-N 0 0 250.262 1.615 20 5 CDBDRN Cn1ccnc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000192830959 373642995 /nfs/dbraw/zinc/64/29/95/373642995.db2.gz YEDHRQGGUGNQPB-UHFFFAOYSA-N 0 0 285.263 1.087 20 5 CDBDRN COC(=O)C1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000274302231 373687007 /nfs/dbraw/zinc/68/70/07/373687007.db2.gz OCHXTFXPPHVPLA-UHFFFAOYSA-N 0 0 282.227 1.626 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000298498587 373740645 /nfs/dbraw/zinc/74/06/45/373740645.db2.gz XTLVVWWMSNEGLY-SNVBAGLBSA-N 0 0 264.281 1.846 20 5 CDBDRN CCc1nn(C)c(N(C)CCCC(=O)OC)c1[N+](=O)[O-] ZINC000091576057 374042813 /nfs/dbraw/zinc/04/28/13/374042813.db2.gz VNTKGMNJKOXBLL-UHFFFAOYSA-N 0 0 284.316 1.280 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000416081243 374089645 /nfs/dbraw/zinc/08/96/45/374089645.db2.gz WBQSUAXWBYYVNH-GARJFASQSA-N 0 0 294.355 1.993 20 5 CDBDRN CCO[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000298757323 374141147 /nfs/dbraw/zinc/14/11/47/374141147.db2.gz XHMGPVQECFGXLC-YPMHNXCESA-N 0 0 278.308 1.978 20 5 CDBDRN CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298780861 374174979 /nfs/dbraw/zinc/17/49/79/374174979.db2.gz OAJAMBYRLZVSHC-UHFFFAOYSA-N 0 0 293.323 1.138 20 5 CDBDRN COC(=O)N(C)CC(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000298781622 374176738 /nfs/dbraw/zinc/17/67/38/374176738.db2.gz GJIMLEHKHZRHNF-UHFFFAOYSA-N 0 0 296.279 1.815 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cnn(C)c1 ZINC000421751005 374330072 /nfs/dbraw/zinc/33/00/72/374330072.db2.gz XHQXZZUMHTWHAE-UHFFFAOYSA-N 0 0 288.307 1.875 20 5 CDBDRN Cc1nn(C)c(N2CCC[C@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000114708919 374345622 /nfs/dbraw/zinc/34/56/22/374345622.db2.gz BWLUXFIHFPOKJP-JTQLQIEISA-N 0 0 290.327 1.744 20 5 CDBDRN CC[C@@H](C)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000421915083 374342589 /nfs/dbraw/zinc/34/25/89/374342589.db2.gz MMQWAGQLDCTXCB-SNVBAGLBSA-N 0 0 293.323 1.487 20 5 CDBDRN Cc1c(C(=O)N(C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000080822064 374482006 /nfs/dbraw/zinc/48/20/06/374482006.db2.gz MTMLGBPMRJVONL-UHFFFAOYSA-N 0 0 266.297 1.746 20 5 CDBDRN CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000081439130 374507092 /nfs/dbraw/zinc/50/70/92/374507092.db2.gz CJZLZONWSRETDD-VIFPVBQESA-N 0 0 293.323 1.357 20 5 CDBDRN COCC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000531973925 374521619 /nfs/dbraw/zinc/52/16/19/374521619.db2.gz OKNFERGTRIIPOO-UHFFFAOYSA-N 0 0 295.295 1.904 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NCC1CC1 ZINC000160777489 374530449 /nfs/dbraw/zinc/53/04/49/374530449.db2.gz HWQRIDHYXOWJMK-UHFFFAOYSA-N 0 0 292.291 1.702 20 5 CDBDRN NC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000441791856 374540752 /nfs/dbraw/zinc/54/07/52/374540752.db2.gz WDMXCHXHCRYURO-UHFFFAOYSA-N 0 0 290.254 1.840 20 5 CDBDRN CC(=O)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081908177 374562987 /nfs/dbraw/zinc/56/29/87/374562987.db2.gz BDJOMNRFFSUBGE-MRVPVSSYSA-N 0 0 257.267 1.346 20 5 CDBDRN COCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000081735464 374547200 /nfs/dbraw/zinc/54/72/00/374547200.db2.gz OSCOSESMLKGWQV-QMMMGPOBSA-N 0 0 267.285 1.332 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCc3nn[nH]c3C2)c(Cl)c1 ZINC000429317518 374581476 /nfs/dbraw/zinc/58/14/76/374581476.db2.gz LHJBGLLAQJJCBS-UHFFFAOYSA-N 0 0 293.714 1.925 20 5 CDBDRN O=c1ccn(CCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000131043247 374583593 /nfs/dbraw/zinc/58/35/93/374583593.db2.gz XSRRMOSPCPCIBX-UHFFFAOYSA-N 0 0 286.287 1.934 20 5 CDBDRN Cc1cc(N2CC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000377135826 374586452 /nfs/dbraw/zinc/58/64/52/374586452.db2.gz HLQSYYWCZISBKG-JTQLQIEISA-N 0 0 263.297 1.605 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[C@H](O)C1 ZINC000351950452 374698352 /nfs/dbraw/zinc/69/83/52/374698352.db2.gz FSCXIHHYSFFBCA-CMPLNLGQSA-N 0 0 293.323 1.154 20 5 CDBDRN CCCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118689171 374668432 /nfs/dbraw/zinc/66/84/32/374668432.db2.gz WIVGSACMPLZNLR-SNVBAGLBSA-N 0 0 278.312 1.803 20 5 CDBDRN CC[C@@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000275198574 374691626 /nfs/dbraw/zinc/69/16/26/374691626.db2.gz GGIDXELIRSKCAJ-CYBMUJFWSA-N 0 0 281.312 1.548 20 5 CDBDRN CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1=O ZINC000275207297 374692005 /nfs/dbraw/zinc/69/20/05/374692005.db2.gz FFBGCZBGWVLEOZ-UHFFFAOYSA-N 0 0 294.311 1.006 20 5 CDBDRN CC(C)[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000092406902 374693088 /nfs/dbraw/zinc/69/30/88/374693088.db2.gz TXIBAUMVGAKVJZ-NSHDSACASA-N 0 0 267.285 1.733 20 5 CDBDRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000276720289 374745003 /nfs/dbraw/zinc/74/50/03/374745003.db2.gz SKOBODHSPGMQDU-SNVBAGLBSA-N 0 0 266.253 1.733 20 5 CDBDRN CCOC[C@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])C(C)C ZINC000276891342 374756728 /nfs/dbraw/zinc/75/67/28/374756728.db2.gz OCMZOBUQRVQEPB-VIFPVBQESA-N 0 0 284.316 1.417 20 5 CDBDRN C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)c1ncnn1C ZINC000276901781 374759066 /nfs/dbraw/zinc/75/90/66/374759066.db2.gz MMXUQDMLDLKEGC-LURJTMIESA-N 0 0 289.255 1.433 20 5 CDBDRN CN(CCCCCO)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000447642577 374705224 /nfs/dbraw/zinc/70/52/24/374705224.db2.gz FVMRUVMOEGQPKG-UHFFFAOYSA-N 0 0 298.314 1.897 20 5 CDBDRN CCS(=O)(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277977862 374825473 /nfs/dbraw/zinc/82/54/73/374825473.db2.gz LXNVSGYOLFLJRK-UHFFFAOYSA-N 0 0 298.364 1.998 20 5 CDBDRN C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154849642 374765070 /nfs/dbraw/zinc/76/50/70/374765070.db2.gz UZGZLMYZFQNTCM-LLVKDONJSA-N 0 0 289.335 1.968 20 5 CDBDRN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277390817 374784098 /nfs/dbraw/zinc/78/40/98/374784098.db2.gz GXODGFYOBYLRNQ-DYBLOJMWSA-N 0 0 288.394 1.857 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](OC)C1 ZINC000277405978 374786446 /nfs/dbraw/zinc/78/64/46/374786446.db2.gz HMBZBTVKPCJFMG-LLVKDONJSA-N 0 0 294.307 1.854 20 5 CDBDRN CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CCO1 ZINC000331053318 374883593 /nfs/dbraw/zinc/88/35/93/374883593.db2.gz ZLWKTAYRPIVNJC-JTQLQIEISA-N 0 0 294.307 1.854 20 5 CDBDRN CN(C[C@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331109732 374890631 /nfs/dbraw/zinc/89/06/31/374890631.db2.gz KNTISONDGBUWTM-MRVPVSSYSA-N 0 0 253.258 1.031 20 5 CDBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C2CC2)O1 ZINC000279375738 374891762 /nfs/dbraw/zinc/89/17/62/374891762.db2.gz JSYUEWSNLSKAFT-KWQFWETISA-N 0 0 280.280 1.827 20 5 CDBDRN CN(CCC1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330421810 374850507 /nfs/dbraw/zinc/85/05/07/374850507.db2.gz ZVVPFCQYEZANHY-UHFFFAOYSA-N 0 0 295.343 1.615 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@H]2CCCO2)n1 ZINC000331171064 374900045 /nfs/dbraw/zinc/90/00/45/374900045.db2.gz FTJOPUGRHFWESK-VHSXEESVSA-N 0 0 296.327 1.499 20 5 CDBDRN CCc1n[nH]c(C(=O)N(C)CC(F)F)c1[N+](=O)[O-] ZINC000330508052 374856490 /nfs/dbraw/zinc/85/64/90/374856490.db2.gz GJKWMRNGTHKODJ-UHFFFAOYSA-N 0 0 262.216 1.217 20 5 CDBDRN NC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330537257 374862206 /nfs/dbraw/zinc/86/22/06/374862206.db2.gz XITNWEVCBUPQRZ-SNVBAGLBSA-N 0 0 298.730 1.905 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC(O)C1 ZINC000279553437 374923955 /nfs/dbraw/zinc/92/39/55/374923955.db2.gz 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PEPQMGAJMSZUFF-UHFFFAOYSA-N 0 0 278.243 1.878 20 5 CDBDRN C[C@@H](C(=O)NCc1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000559357869 356673811 /nfs/dbraw/zinc/67/38/11/356673811.db2.gz GGJFUWSJJDKNRJ-SECBINFHSA-N 0 0 289.295 1.143 20 5 CDBDRN CC(C)OCCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175720835 356720681 /nfs/dbraw/zinc/72/06/81/356720681.db2.gz IAWBOEJXJIQFHU-UHFFFAOYSA-N 0 0 281.312 1.722 20 5 CDBDRN CC1(CNc2c(F)cccc2[N+](=O)[O-])OCCO1 ZINC000286489632 356770899 /nfs/dbraw/zinc/77/08/99/356770899.db2.gz MADYDDNLFQZRMI-UHFFFAOYSA-N 0 0 256.233 1.909 20 5 CDBDRN Nc1c(F)c(N2CCC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000293912808 198824330 /nfs/dbraw/zinc/82/43/30/198824330.db2.gz DEWRKRRIZUTIJN-QMMMGPOBSA-N 0 0 269.276 1.667 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](O)CC1)CCN2 ZINC000293951331 198841850 /nfs/dbraw/zinc/84/18/50/198841850.db2.gz GNFKVSYALYRTCG-JTQLQIEISA-N 0 0 277.324 1.914 20 5 CDBDRN CCOC1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000341245854 357211864 /nfs/dbraw/zinc/21/18/64/357211864.db2.gz FLVNMOCGRXYZQN-UHFFFAOYSA-N 0 0 280.280 1.464 20 5 CDBDRN CC(C)(CCCO)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000221750982 357221924 /nfs/dbraw/zinc/22/19/24/357221924.db2.gz VXAUBZDADBPJHO-UHFFFAOYSA-N 0 0 270.285 1.716 20 5 CDBDRN CCOCC(C)(C)CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000290579224 357224381 /nfs/dbraw/zinc/22/43/81/357224381.db2.gz HKLYOUXVABPRLR-UHFFFAOYSA-N 0 0 284.316 1.419 20 5 CDBDRN NC(=O)c1ccnc(NCC2CCC2)c1[N+](=O)[O-] ZINC000290589533 357226042 /nfs/dbraw/zinc/22/60/42/357226042.db2.gz XCBCSKYJGCRGPO-UHFFFAOYSA-N 0 0 250.258 1.301 20 5 CDBDRN COC(=O)CCCONC(=O)c1cccc([N+](=O)[O-])c1C ZINC000290601959 357228600 /nfs/dbraw/zinc/22/86/00/357228600.db2.gz KSICHBBRDQYJCR-UHFFFAOYSA-N 0 0 296.279 1.518 20 5 CDBDRN CCN(C[C@@H](C)O)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000341352531 357235201 /nfs/dbraw/zinc/23/52/01/357235201.db2.gz DCOVYIGBKVSWGF-LLVKDONJSA-N 0 0 295.339 1.260 20 5 CDBDRN O=C(N[C@H]1CCCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000180012421 357235448 /nfs/dbraw/zinc/23/54/48/357235448.db2.gz RYTNPZPVQPWHQG-QMMMGPOBSA-N 0 0 254.242 1.487 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000180971337 357298008 /nfs/dbraw/zinc/29/80/08/357298008.db2.gz AASXOFCHXVWUEZ-SECBINFHSA-N 0 0 296.327 1.569 20 5 CDBDRN COCCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000051921576 357264056 /nfs/dbraw/zinc/26/40/56/357264056.db2.gz NVSAXIWSABTODH-UHFFFAOYSA-N 0 0 295.339 1.131 20 5 CDBDRN COC(=O)NCCCC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000264532420 357372283 /nfs/dbraw/zinc/37/22/83/357372283.db2.gz OCSXJIDUVUEBFQ-UHFFFAOYSA-N 0 0 282.252 1.636 20 5 CDBDRN COc1cccc(N2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000135061493 357315423 /nfs/dbraw/zinc/31/54/23/357315423.db2.gz DWXGLTIENQNQAD-SECBINFHSA-N 0 0 252.270 1.565 20 5 CDBDRN O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H](O)C1 ZINC000083731163 357324717 /nfs/dbraw/zinc/32/47/17/357324717.db2.gz NWMFBLBLLGNZRJ-QMMMGPOBSA-N 0 0 287.113 1.928 20 5 CDBDRN CCN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264475876 357334113 /nfs/dbraw/zinc/33/41/13/357334113.db2.gz KHVKDFSDXRUOPJ-UHFFFAOYSA-N 0 0 299.714 1.456 20 5 CDBDRN Cc1nn(CC(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000181830993 357382550 /nfs/dbraw/zinc/38/25/50/357382550.db2.gz AZRQWHBSBZFGLL-MWLCHTKSSA-N 0 0 280.328 1.795 20 5 CDBDRN C[C@H]1CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181933970 357390950 /nfs/dbraw/zinc/39/09/50/357390950.db2.gz ZLQQMIUTQFLSNS-NSHDSACASA-N 0 0 298.364 1.853 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000360529246 357421731 /nfs/dbraw/zinc/42/17/31/357421731.db2.gz QCPQSZFTDGECQP-STQMWFEESA-N 0 0 293.323 1.722 20 5 CDBDRN CO[C@@H]1COC[C@H]1Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000566160299 357426965 /nfs/dbraw/zinc/42/69/65/357426965.db2.gz DTDHQCJHXYQCHB-DGCLKSJQSA-N 0 0 280.280 1.623 20 5 CDBDRN CC[C@](C)(O)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000060349484 357440072 /nfs/dbraw/zinc/44/00/72/357440072.db2.gz 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/nfs/dbraw/zinc/51/52/61/357515261.db2.gz ICRSGGQUBCCCRM-UHFFFAOYSA-N 0 0 293.323 1.151 20 5 CDBDRN Cc1c([N+](=O)[O-])ccc(F)c1NCCCS(C)(=O)=O ZINC000283426726 357555363 /nfs/dbraw/zinc/55/53/63/357555363.db2.gz HBCCPKMTONCOCV-UHFFFAOYSA-N 0 0 290.316 1.889 20 5 CDBDRN O=c1cc(CNc2ncc([N+](=O)[O-])s2)cc[nH]1 ZINC000337021914 357563301 /nfs/dbraw/zinc/56/33/01/357563301.db2.gz SFTBYCPSNLNLRY-UHFFFAOYSA-N 0 0 252.255 1.186 20 5 CDBDRN CN(CCC(N)=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000286615337 357590468 /nfs/dbraw/zinc/59/04/68/357590468.db2.gz UEJWGCJVLYDJRT-UHFFFAOYSA-N 0 0 257.677 1.560 20 5 CDBDRN C[C@@H](CF)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000360606848 357595241 /nfs/dbraw/zinc/59/52/41/357595241.db2.gz HECWIEJJVBMKBH-QMMMGPOBSA-N 0 0 298.270 1.383 20 5 CDBDRN CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]2CCCO[C@@H]21 ZINC000610205133 357602050 /nfs/dbraw/zinc/60/20/50/357602050.db2.gz CSKJSPQXJXEQPB-FXAINCCUSA-N 0 0 293.323 1.856 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000286636196 357647668 /nfs/dbraw/zinc/64/76/68/357647668.db2.gz CTYOQAIJCPLOFS-AWEZNQCLSA-N 0 0 296.298 1.840 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536802 357659689 /nfs/dbraw/zinc/65/96/89/357659689.db2.gz HUISSQNJXJAUKL-DRZSPHRISA-N 0 0 280.324 1.392 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCc2nnc3n2CCC3)n1 ZINC000360685485 357668246 /nfs/dbraw/zinc/66/82/46/357668246.db2.gz LUKXRYRXQQIPQQ-UHFFFAOYSA-N 0 0 288.311 1.491 20 5 CDBDRN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000186663379 357673840 /nfs/dbraw/zinc/67/38/40/357673840.db2.gz LDZVRTYXLMLPPY-VHSXEESVSA-N 0 0 281.312 1.644 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000187087289 357726793 /nfs/dbraw/zinc/72/67/93/357726793.db2.gz JEGRHHKPUBXSSZ-MWLCHTKSSA-N 0 0 279.296 1.210 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)O ZINC000186788279 357690661 /nfs/dbraw/zinc/69/06/61/357690661.db2.gz 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O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](CO)C1 ZINC000130614947 358312417 /nfs/dbraw/zinc/31/24/17/358312417.db2.gz RVSKXEHTDKGELX-SNVBAGLBSA-N 0 0 273.292 1.962 20 5 CDBDRN CC(C)(CCC(=O)Nc1ccc(F)nc1)[N+](=O)[O-] ZINC000294818206 199197972 /nfs/dbraw/zinc/19/79/72/199197972.db2.gz CLVLJHMEXKZLID-UHFFFAOYSA-N 0 0 255.249 1.995 20 5 CDBDRN CC(C)(CCC(=O)NC[C@@H](O)c1ccccc1F)[N+](=O)[O-] ZINC000294844780 199209551 /nfs/dbraw/zinc/20/95/51/199209551.db2.gz FETXQYZEIFUKJR-GFCCVEGCSA-N 0 0 298.314 1.811 20 5 CDBDRN Cc1nn(CCC(=O)N2CCC[C@H](F)C2)c(C)c1[N+](=O)[O-] ZINC000566745243 358378141 /nfs/dbraw/zinc/37/81/41/358378141.db2.gz WVTLSZOCAPXRLY-NSHDSACASA-N 0 0 298.318 1.759 20 5 CDBDRN CO[C@H](C)c1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000177159053 366429197 /nfs/dbraw/zinc/42/91/97/366429197.db2.gz MHJAIQQXXLYOGV-MRVPVSSYSA-N 0 0 295.320 1.969 20 5 CDBDRN Cc1[nH]nc(C(=O)N2CCN(C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202208 358384568 /nfs/dbraw/zinc/38/45/68/358384568.db2.gz IEIPAIGWCKCUCG-JTQLQIEISA-N 0 0 295.343 1.039 20 5 CDBDRN CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287353393 358444441 /nfs/dbraw/zinc/44/44/41/358444441.db2.gz NLEVQKRDGPLPHY-UHFFFAOYSA-N 0 0 295.343 1.266 20 5 CDBDRN O=[N+]([O-])c1cccnc1N1CCC[C@H](CO)CC1 ZINC000294300203 358514330 /nfs/dbraw/zinc/51/43/30/358514330.db2.gz YLMYDSBKUIDAJU-JTQLQIEISA-N 0 0 251.286 1.589 20 5 CDBDRN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1C ZINC000361829706 358550127 /nfs/dbraw/zinc/55/01/27/358550127.db2.gz OJFYEJANPYYVRE-UHFFFAOYSA-N 0 0 276.252 1.589 20 5 CDBDRN C[C@]1(O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000176061444 358530058 /nfs/dbraw/zinc/53/00/58/358530058.db2.gz BNNBXCZXGGOMMO-ZDUSSCGKSA-N 0 0 298.726 1.774 20 5 CDBDRN COc1cc(N[C@@H]2COC[C@H]2OC)c(F)cc1[N+](=O)[O-] ZINC000567768680 358732905 /nfs/dbraw/zinc/73/29/05/358732905.db2.gz VADFHBHYBYDMAY-BXKDBHETSA-N 0 0 286.259 1.568 20 5 CDBDRN Cc1cc(C(=O)N[C@H](C)c2nc[nH]n2)cc([N+](=O)[O-])c1 ZINC000176192949 358736794 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COCCC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103201226 358908876 /nfs/dbraw/zinc/90/88/76/358908876.db2.gz OYHWKAJSFZRGCU-UHFFFAOYSA-N 0 0 291.267 1.355 20 5 CDBDRN CN(CCc1ccccc1O)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342365730 359024378 /nfs/dbraw/zinc/02/43/78/359024378.db2.gz XIMLSLGWELZLFM-UHFFFAOYSA-N 0 0 289.291 1.943 20 5 CDBDRN O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000331604595 359025735 /nfs/dbraw/zinc/02/57/35/359025735.db2.gz ZJZONTJPUFOPJA-SNVBAGLBSA-N 0 0 291.307 1.267 20 5 CDBDRN CCOC[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000352884252 358993837 /nfs/dbraw/zinc/99/38/37/358993837.db2.gz RMIHRFCCSVMBEB-LLVKDONJSA-N 0 0 297.311 1.422 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ncc[nH]1 ZINC000135489457 358996404 /nfs/dbraw/zinc/99/64/04/358996404.db2.gz ZUHHFYHSIWXYOG-UHFFFAOYSA-N 0 0 274.280 1.599 20 5 CDBDRN Nc1c(C(=O)NCC2(O)CCCCC2)cccc1[N+](=O)[O-] ZINC000267192681 359015127 /nfs/dbraw/zinc/01/51/27/359015127.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](F)C2)cc1 ZINC000570456172 294243185 /nfs/dbraw/zinc/24/31/85/294243185.db2.gz MPFFHFPZYYFCOV-SECBINFHSA-N 0 0 288.300 1.717 20 5 CDBDRN O=C(NCCN1CCCC1=O)c1ccc([N+](=O)[O-])s1 ZINC000570854271 294323395 /nfs/dbraw/zinc/32/33/95/294323395.db2.gz DMKALZXQGCEPBZ-UHFFFAOYSA-N 0 0 283.309 1.009 20 5 CDBDRN Cc1c(CNC(=O)N[C@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000574035382 294933390 /nfs/dbraw/zinc/93/33/90/294933390.db2.gz PXWLJRJUAIHGCQ-JOYOIKCWSA-N 0 0 293.323 1.880 20 5 CDBDRN NC(=O)[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279528495 295149938 /nfs/dbraw/zinc/14/99/38/295149938.db2.gz UEKOSSOYUPWVOJ-QMMMGPOBSA-N 0 0 283.715 1.950 20 5 CDBDRN COc1cccc(C(=O)N2[C@H](C)COC[C@@H]2C)c1[N+](=O)[O-] ZINC000194441747 295287608 /nfs/dbraw/zinc/28/76/08/295287608.db2.gz WUJADQPMFQLOIN-AOOOYVTPSA-N 0 0 294.307 1.853 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCCO1 ZINC000189640065 295362408 /nfs/dbraw/zinc/36/24/08/295362408.db2.gz WBYMNDVRVZHGEP-UHFFFAOYSA-N 0 0 251.242 1.345 20 5 CDBDRN C[C@@H]1C[C@H](O)CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000401743793 297453985 /nfs/dbraw/zinc/45/39/85/297453985.db2.gz MGCQMFXCKFCVEF-BDAKNGLRSA-N 0 0 254.261 1.941 20 5 CDBDRN Cc1ccnc(N2CCC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000132698236 302271951 /nfs/dbraw/zinc/27/19/51/302271951.db2.gz SQCFVDCZNMKLEU-ZDUSSCGKSA-N 0 0 265.313 1.897 20 5 CDBDRN Cc1cnc(N2CCOC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000408109135 302351105 /nfs/dbraw/zinc/35/11/05/302351105.db2.gz DIOLGSFZAJRIPR-STQMWFEESA-N 0 0 293.323 1.682 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000375622818 303019274 /nfs/dbraw/zinc/01/92/74/303019274.db2.gz GRBPPNQGGDWQPD-NSHDSACASA-N 0 0 290.327 1.779 20 5 CDBDRN O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1CCO ZINC000020319279 304810730 /nfs/dbraw/zinc/81/07/30/304810730.db2.gz PGEAPTXVOGFMKG-SNVBAGLBSA-N 0 0 251.286 1.731 20 5 CDBDRN C[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000176368847 315915927 /nfs/dbraw/zinc/91/59/27/315915927.db2.gz JVQVVQYXVIYWPQ-AWEZNQCLSA-N 0 0 293.323 1.963 20 5 CDBDRN Cc1nc(NC[C@H](O)COCC(C)C)ccc1[N+](=O)[O-] ZINC000349422622 316123888 /nfs/dbraw/zinc/12/38/88/316123888.db2.gz SRQYVCJFFDSOJE-NSHDSACASA-N 0 0 283.328 1.166 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@@]23CCOC3)n1 ZINC000350250168 316155680 /nfs/dbraw/zinc/15/56/80/316155680.db2.gz LYMHTLLQZKZAKT-JMCQJSRRSA-N 0 0 291.267 1.272 20 5 CDBDRN O=[N+]([O-])c1cnn(Cc2nc(-c3ccc(O)cc3)no2)c1 ZINC000350572922 316179692 /nfs/dbraw/zinc/17/96/92/316179692.db2.gz QUMKJYKKPJXLGN-UHFFFAOYSA-N 0 0 287.235 1.595 20 5 CDBDRN O=c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)c[nH]1 ZINC000350801015 316205507 /nfs/dbraw/zinc/20/55/07/316205507.db2.gz SUKZDZIQRCTXCN-UHFFFAOYSA-N 0 0 273.208 1.741 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@@H]2CCOC2)n1 ZINC000350899939 316218974 /nfs/dbraw/zinc/21/89/74/316218974.db2.gz KPMQYFAWNGVJOB-MRVPVSSYSA-N 0 0 293.283 1.347 20 5 CDBDRN Cc1cncc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000350912615 316219995 /nfs/dbraw/zinc/21/99/95/316219995.db2.gz YEIMXXRKXBUJSL-UHFFFAOYSA-N 0 0 286.251 1.749 20 5 CDBDRN CC(=O)CCCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000350918504 316220903 /nfs/dbraw/zinc/22/09/03/316220903.db2.gz AGXGYEDMDHMNFX-UHFFFAOYSA-N 0 0 293.283 1.598 20 5 CDBDRN CS[C@@H](C)Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000350922210 316221494 /nfs/dbraw/zinc/22/14/94/316221494.db2.gz HXNQDAXDOBDWFR-LURJTMIESA-N 0 0 297.340 1.981 20 5 CDBDRN COCC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000351145972 316240578 /nfs/dbraw/zinc/24/05/78/316240578.db2.gz LCVRTPDVHTYCKT-UHFFFAOYSA-N 0 0 265.225 1.916 20 5 CDBDRN Cc1nn(C)c(NCc2ncc(C)cn2)c1[N+](=O)[O-] ZINC000563422725 316305152 /nfs/dbraw/zinc/30/51/52/316305152.db2.gz AZOJUUZVAGXORV-UHFFFAOYSA-N 0 0 262.273 1.347 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(OCCn2cccn2)c1C ZINC000563548949 316330705 /nfs/dbraw/zinc/33/07/05/316330705.db2.gz BKUQUIKWDXNAHT-UHFFFAOYSA-N 0 0 262.269 1.882 20 5 CDBDRN O=C(NC[C@@H](CO)C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000569675508 316824117 /nfs/dbraw/zinc/82/41/17/316824117.db2.gz OFRKXNOTJUYQKI-JTQLQIEISA-N 0 0 296.327 1.237 20 5 CDBDRN CCO[C@@H]1C[C@H]1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576098585 317073498 /nfs/dbraw/zinc/07/34/98/317073498.db2.gz HQQHQQLZOQFADQ-OASPWFOLSA-N 0 0 278.308 1.992 20 5 CDBDRN COC(C)(C)C[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576768818 317204650 /nfs/dbraw/zinc/20/46/50/317204650.db2.gz VZPOLCUILNLLNA-SSDOTTSWSA-N 0 0 270.289 1.251 20 5 CDBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NC2(CF)CCC2)c1 ZINC000577605647 317363486 /nfs/dbraw/zinc/36/34/86/317363486.db2.gz FXIXSSDMSOAXQL-UHFFFAOYSA-N 0 0 288.300 1.765 20 5 CDBDRN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000182500761 323284293 /nfs/dbraw/zinc/28/42/93/323284293.db2.gz PXPNXTKHLKUWKD-WDEREUQCSA-N 0 0 293.323 1.914 20 5 CDBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000182780437 323300822 /nfs/dbraw/zinc/30/08/22/323300822.db2.gz PWVWJWDMTACOIL-UHFFFAOYSA-N 0 0 275.308 1.580 20 5 CDBDRN C[C@@H](O)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183681529 323345136 /nfs/dbraw/zinc/34/51/36/323345136.db2.gz RTTWRTUDUOCGOC-HTQZYQBOSA-N 0 0 270.260 1.334 20 5 CDBDRN CC[C@@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])[C@@H](C)O ZINC000386806344 323749934 /nfs/dbraw/zinc/74/99/34/323749934.db2.gz CTCGBZZWGUGMCU-PSASIEDQSA-N 0 0 281.312 1.526 20 5 CDBDRN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386934651 323755026 /nfs/dbraw/zinc/75/50/26/323755026.db2.gz UNGQLXVJNMJNGB-GZMMTYOYSA-N 0 0 267.285 1.876 20 5 CDBDRN Nc1nccc(C(=O)NCC(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000578451566 323937616 /nfs/dbraw/zinc/93/76/16/323937616.db2.gz IMROTODZZPQBDW-UHFFFAOYSA-N 0 0 290.323 1.568 20 5 CDBDRN CNc1ccc(C(=O)NC[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000579561164 324216456 /nfs/dbraw/zinc/21/64/56/324216456.db2.gz MXEPUULIQNTPNZ-ZDUSSCGKSA-N 0 0 293.323 1.527 20 5 CDBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@H](F)C1 ZINC000579846669 324299421 /nfs/dbraw/zinc/29/94/21/324299421.db2.gz BLSVWRUNFCQCDC-QMMMGPOBSA-N 0 0 289.288 1.112 20 5 CDBDRN COC1([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cn2C)CCC1 ZINC000581871663 324848438 /nfs/dbraw/zinc/84/84/38/324848438.db2.gz RBHWUNZGKMKRQL-SECBINFHSA-N 0 0 281.312 1.621 20 5 CDBDRN Cc1cc(=O)n(CC2(F)CCOCC2)cc1[N+](=O)[O-] ZINC000581895887 324857152 /nfs/dbraw/zinc/85/71/52/324857152.db2.gz RXDMDXXXIUDMEE-UHFFFAOYSA-N 0 0 270.260 1.584 20 5 CDBDRN Cc1nc(N2CCOC[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000582043718 324888214 /nfs/dbraw/zinc/88/82/14/324888214.db2.gz HPUXAJHFLFDHPS-NSHDSACASA-N 0 0 264.285 1.308 20 5 CDBDRN CC[C@H]1CC[C@@H](C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582558601 325001050 /nfs/dbraw/zinc/00/10/50/325001050.db2.gz QWTKWEATPODRPX-SFYZADRCSA-N 0 0 252.274 1.721 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCCc2c(cnn2C)C1 ZINC000582652995 325015891 /nfs/dbraw/zinc/01/58/91/325015891.db2.gz NCTIVFIRVLSTEF-UHFFFAOYSA-N 0 0 287.323 1.985 20 5 CDBDRN O=C(CCCNC(=O)c1ccccc1[N+](=O)[O-])NC1CC1 ZINC000193728766 335985081 /nfs/dbraw/zinc/98/50/81/335985081.db2.gz GCEIFWKCSJTHGJ-UHFFFAOYSA-N 0 0 291.307 1.383 20 5 CDBDRN O=C(CN1CCSC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000137283300 1160086339 /nfs/dbraw/zinc/08/63/39/1160086339.db2.gz YFQCUNCRGVBWQM-UHFFFAOYSA-N 0 0 281.293 1.702 20 5 CDBDRN CN1Cc2cc(N[C@H]3C[C@@H](CO)C3)cc([N+](=O)[O-])c2N1 ZINC001168247193 1160560887 /nfs/dbraw/zinc/56/08/87/1160560887.db2.gz UBDIAYPJUXOCBY-WAAGHKOSSA-N 0 0 278.312 1.550 20 5 CDBDRN O=C(Nc1cc2c(cn1)CCCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000361198731 482451253 /nfs/dbraw/zinc/45/12/53/482451253.db2.gz MKTVZXILGAGXLX-UHFFFAOYSA-N 0 0 287.279 1.844 20 5 CDBDRN CCCNC(=O)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129777950 482892448 /nfs/dbraw/zinc/89/24/48/482892448.db2.gz OFGGHPVBUXFHGA-UHFFFAOYSA-N 0 0 286.719 1.971 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CO[C@H](C)C1 ZINC000784020059 1160881751 /nfs/dbraw/zinc/88/17/51/1160881751.db2.gz IUKDXMSSRUWABD-RKDXNWHRSA-N 0 0 281.264 1.934 20 5 CDBDRN CCCNC(=O)CCNc1ncc([N+](=O)[O-])cc1C ZINC000052812837 519872765 /nfs/dbraw/zinc/87/27/65/519872765.db2.gz CKZLVGIPYZILFY-UHFFFAOYSA-N 0 0 266.301 1.626 20 5 CDBDRN C[C@@H](OCCn1nccn1)c1ccccc1[N+](=O)[O-] ZINC001225041995 1160997780 /nfs/dbraw/zinc/99/77/80/1160997780.db2.gz JBAWXTLTRHVEJU-SNVBAGLBSA-N 0 0 262.269 1.964 20 5 CDBDRN Cc1cc(S(=O)(=O)NC2CSC2)ccc1[N+](=O)[O-] ZINC000921866603 1161453512 /nfs/dbraw/zinc/45/35/12/1161453512.db2.gz FSVFJWPGEZFYJR-UHFFFAOYSA-N 0 0 288.350 1.297 20 5 CDBDRN COc1nc(N2CCC[C@H]3C[C@H]32)nc(OC)c1[N+](=O)[O-] ZINC001157133376 1162044349 /nfs/dbraw/zinc/04/43/49/1162044349.db2.gz IUFVOKMXESPDDR-JGVFFNPUSA-N 0 0 280.284 1.391 20 5 CDBDRN C[C@H]1[C@@H](O)CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000296823154 534143126 /nfs/dbraw/zinc/14/31/26/534143126.db2.gz HCGGRRVIWGAXEW-CDNXDHMFSA-N 0 0 290.319 1.980 20 5 CDBDRN O=[N+]([O-])c1c(NC[C@@H]2CC[C@@H](O)C2)nc2ccccn21 ZINC000788861831 1162060055 /nfs/dbraw/zinc/06/00/55/1162060055.db2.gz QVEKPABZLGWPQI-NXEZZACHSA-N 0 0 276.296 1.815 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](O)[C@H](C)C2)c1 ZINC000166949347 534316535 /nfs/dbraw/zinc/31/65/35/534316535.db2.gz VRPVQGDUYASGQM-MFKMUULPSA-N 0 0 278.308 1.746 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[S@@](C)=O)n1 ZINC000168071537 534328330 /nfs/dbraw/zinc/32/83/30/534328330.db2.gz HBMYMVGKCZYTLE-QPFGOUBPSA-N 0 0 257.315 1.477 20 5 CDBDRN O=C(NCC[NH+]1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164226990 534329726 /nfs/dbraw/zinc/32/97/26/534329726.db2.gz GHEAHZIJEDRNNV-UHFFFAOYSA-N 0 0 293.323 1.516 20 5 CDBDRN CC(C)(C(=O)NC1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000338633076 518521874 /nfs/dbraw/zinc/52/18/74/518521874.db2.gz KDQBXGCAMOIAHZ-UHFFFAOYSA-N 0 0 280.328 1.975 20 5 CDBDRN CC(C)(C)C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000058104248 518557541 /nfs/dbraw/zinc/55/75/41/518557541.db2.gz NPOKVSXZUCGDJV-UHFFFAOYSA-N 0 0 289.291 1.920 20 5 CDBDRN 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/nfs/dbraw/zinc/79/08/70/375790870.db2.gz DHTVASDBBUQJAA-JTQLQIEISA-N 0 0 266.297 1.794 20 5 CDBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000356397145 375840389 /nfs/dbraw/zinc/84/03/89/375840389.db2.gz QJNHASCECDLXGP-RXMQYKEDSA-N 0 0 265.191 1.851 20 5 CDBDRN CC(C)(NC(=O)CCCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000294237648 375841400 /nfs/dbraw/zinc/84/14/00/375841400.db2.gz VVNOGNSOWMKATL-UHFFFAOYSA-N 0 0 293.323 1.602 20 5 CDBDRN C[C@H]1CCC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356489529 375848504 /nfs/dbraw/zinc/84/85/04/375848504.db2.gz ZNNJUEAILLBEQK-IUCAKERBSA-N 0 0 266.301 1.731 20 5 CDBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCCCO ZINC000229150316 375850997 /nfs/dbraw/zinc/85/09/97/375850997.db2.gz YZVAMZGLULIXEW-UHFFFAOYSA-N 0 0 296.323 1.886 20 5 CDBDRN CC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000048564731 375882191 /nfs/dbraw/zinc/88/21/91/375882191.db2.gz CDPLRPLNXAAZFD-SNVBAGLBSA-N 0 0 264.285 1.095 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN2CCNc3ccccc32)c1 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DWVKFBVJDNTASF-UHFFFAOYSA-N 0 0 272.268 1.463 20 5 CDBDRN CC(C)(C)c1ccc(N[C@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001169330962 1162004207 /nfs/dbraw/zinc/00/42/07/1162004207.db2.gz DIJNUYRDIIUMDE-SNVBAGLBSA-N 0 0 281.312 1.150 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2ccccc2)cn1 ZINC001169904959 1162019517 /nfs/dbraw/zinc/01/95/17/1162019517.db2.gz QABSRZHSEFYPPZ-GFCCVEGCSA-N 0 0 288.307 1.648 20 5 CDBDRN O=c1scnn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789593485 1162097897 /nfs/dbraw/zinc/09/78/97/1162097897.db2.gz WMKCQIUZQOHBKG-UHFFFAOYSA-N 0 0 282.237 1.170 20 5 CDBDRN Nc1cc(N)nc(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC000789749859 1162104268 /nfs/dbraw/zinc/10/42/68/1162104268.db2.gz KADLJQFTJMNRBV-ARJAWSKDSA-N 0 0 279.281 1.905 20 5 CDBDRN Cc1ccnc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)c1 ZINC000790268896 1162141104 /nfs/dbraw/zinc/14/11/04/1162141104.db2.gz OEUOHROAPIKAFX-UHFFFAOYSA-N 0 0 290.235 1.416 20 5 CDBDRN Cc1nnc([C@@H]2Cc3ccccc3CN2CC[N+](=O)[O-])o1 ZINC000791051980 1162187676 /nfs/dbraw/zinc/18/76/76/1162187676.db2.gz JACBCXLRTCZTPN-ZDUSSCGKSA-N 0 0 288.307 1.754 20 5 CDBDRN C[C@H](O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000792272703 1162271544 /nfs/dbraw/zinc/27/15/44/1162271544.db2.gz XCNTUAQYWYZOHN-LURJTMIESA-N 0 0 291.662 1.854 20 5 CDBDRN C[C@H](COC(=O)c1cc(-c2ccccc2)[nH]n1)[N+](=O)[O-] ZINC000813108766 1163816008 /nfs/dbraw/zinc/81/60/08/1163816008.db2.gz AIYRTFRNMOWAQO-SECBINFHSA-N 0 0 275.264 1.899 20 5 CDBDRN C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCOC1=O ZINC000813295903 1163849663 /nfs/dbraw/zinc/84/96/63/1163849663.db2.gz MKXJMBCRLJCSQD-GFCCVEGCSA-N 0 0 282.227 1.169 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@]2(C)CCOC2=O)c1F ZINC000813296381 1163850130 /nfs/dbraw/zinc/85/01/30/1163850130.db2.gz TZLATZMGOASTAU-ZDUSSCGKSA-N 0 0 296.254 1.478 20 5 CDBDRN O=[N+]([O-])c1ccc(Oc2cc(-c3nn[nH]n3)cnn2)cc1 ZINC001607081587 1164071973 /nfs/dbraw/zinc/07/19/73/1164071973.db2.gz DMTKAVWAPANFAU-UHFFFAOYSA-N 0 0 285.223 1.357 20 5 CDBDRN O=[N+]([O-])c1cn(CCC(F)=C(F)F)nc1-c1nnn[n-]1 ZINC001607085536 1164074077 /nfs/dbraw/zinc/07/40/77/1164074077.db2.gz UZDKHUJWQJXQLJ-UHFFFAOYSA-N 0 0 289.177 1.439 20 5 CDBDRN COc1nc(C)nc(N[C@@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC001170816258 1164143759 /nfs/dbraw/zinc/14/37/59/1164143759.db2.gz IIEFVMYSIFEJQK-IONNQARKSA-N 0 0 282.300 1.539 20 5 CDBDRN O=C(N[C@@H]1COC(=O)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000816676810 1164163945 /nfs/dbraw/zinc/16/39/45/1164163945.db2.gz QZXOXPOONQXTQM-QMMMGPOBSA-N 0 0 289.247 1.121 20 5 CDBDRN CON(C)C(=O)CNc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000817124315 1164178515 /nfs/dbraw/zinc/17/85/15/1164178515.db2.gz CYFYMBNDZVIDLT-UHFFFAOYSA-N 0 0 287.703 1.988 20 5 CDBDRN Cn1c(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001608087953 1164405717 /nfs/dbraw/zinc/40/57/17/1164405717.db2.gz JZSHATDCLKBAAB-UHFFFAOYSA-N 0 0 289.291 1.921 20 5 CDBDRN CO[C@]1(C)CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794653760 1164531425 /nfs/dbraw/zinc/53/14/25/1164531425.db2.gz FLNAVPWCSIFGLI-LLVKDONJSA-N 0 0 254.290 1.250 20 5 CDBDRN C[C@@H](CCCO)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865606272 1164669681 /nfs/dbraw/zinc/66/96/81/1164669681.db2.gz UXSKGHORJANOHT-QMMMGPOBSA-N 0 0 272.276 1.799 20 5 CDBDRN CC(C)C1(O)CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865718082 1164684324 /nfs/dbraw/zinc/68/43/24/1164684324.db2.gz UNMBTOWJGZEOIA-UHFFFAOYSA-N 0 0 284.287 1.433 20 5 CDBDRN CC[C@H](Nc1c([N+](=O)[O-])nc(C)n1CC)C(OC)OC ZINC000865922634 1164708666 /nfs/dbraw/zinc/70/86/66/1164708666.db2.gz AVCDEERDZDMCLE-VIFPVBQESA-N 0 0 286.332 1.929 20 5 CDBDRN CN(Cc1c[nH]cn1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865929785 1164711225 /nfs/dbraw/zinc/71/12/25/1164711225.db2.gz XFFHLNZFJKKFFO-UHFFFAOYSA-N 0 0 280.259 1.586 20 5 CDBDRN CC1(C)CN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001609147592 1164795683 /nfs/dbraw/zinc/79/56/83/1164795683.db2.gz ZQYQGVFKYIWUGS-UHFFFAOYSA-N 0 0 274.284 1.621 20 5 CDBDRN CC(C)ONC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868658982 1164978209 /nfs/dbraw/zinc/97/82/09/1164978209.db2.gz OXCYQIYMKHKADB-UHFFFAOYSA-N 0 0 256.233 1.733 20 5 CDBDRN COCc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc1F ZINC000870387709 1165166801 /nfs/dbraw/zinc/16/68/01/1165166801.db2.gz QUVRTHOFWIRNPG-MRVPVSSYSA-N 0 0 271.244 1.794 20 5 CDBDRN C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])C1 ZINC001610138076 1165230754 /nfs/dbraw/zinc/23/07/54/1165230754.db2.gz PTNLKGICYYFKIA-LBPRGKRZSA-N 0 0 293.323 1.043 20 5 CDBDRN COCc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OC ZINC000871195133 1165275055 /nfs/dbraw/zinc/27/50/55/1165275055.db2.gz AFJZOBLFYCBFAR-GHMZBOCLSA-N 0 0 280.280 1.445 20 5 CDBDRN COC(=O)c1nn(CCCC2CC2)cc1[N+](=O)[O-] ZINC000871683402 1165329328 /nfs/dbraw/zinc/32/93/28/1165329328.db2.gz SJTUWNUSWIUDTI-UHFFFAOYSA-N 0 0 253.258 1.768 20 5 CDBDRN COC(=O)CC[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000872749024 1165474704 /nfs/dbraw/zinc/47/47/04/1165474704.db2.gz ABYQYNRLUCZWCS-SNVBAGLBSA-N 0 0 296.327 1.498 20 5 CDBDRN CCOC(=O)Cc1ccc(N2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000825702562 1165592784 /nfs/dbraw/zinc/59/27/84/1165592784.db2.gz SVZSAUOIMHXRGE-LLVKDONJSA-N 0 0 294.307 1.271 20 5 CDBDRN CC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000874752592 1165664831 /nfs/dbraw/zinc/66/48/31/1165664831.db2.gz JINRZWVGQBEJGY-LPWJVIDDSA-N 0 0 278.308 1.280 20 5 CDBDRN CCON(CC)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000875264726 1165714245 /nfs/dbraw/zinc/71/42/45/1165714245.db2.gz NRTYKLKZAKVMCS-UHFFFAOYSA-N 0 0 297.311 1.957 20 5 CDBDRN CCCNC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000042209564 1165816147 /nfs/dbraw/zinc/81/61/47/1165816147.db2.gz KICYWAIAIFCACJ-MRVPVSSYSA-N 0 0 252.274 1.316 20 5 CDBDRN CCN(CC(=O)NC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876577806 1165874996 /nfs/dbraw/zinc/87/49/96/1165874996.db2.gz PRRVOJSAUYGSMC-UHFFFAOYSA-N 0 0 279.340 1.780 20 5 CDBDRN COC(=O)[C@@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000877492271 1166049181 /nfs/dbraw/zinc/04/91/81/1166049181.db2.gz IKZLJYDXRNOZPL-SNVBAGLBSA-N 0 0 266.297 1.863 20 5 CDBDRN CCON(CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000879797817 1166413588 /nfs/dbraw/zinc/41/35/88/1166413588.db2.gz XSKIZNOFMRPZMW-NSHDSACASA-N 0 0 284.312 1.608 20 5 CDBDRN O=C(NO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000128090292 1166427048 /nfs/dbraw/zinc/42/70/48/1166427048.db2.gz YHMKZTFOARYCRD-NSHDSACASA-N 0 0 284.243 1.922 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@H]([C@H]3CCCO3)C2)nc1 ZINC000884731419 1166512178 /nfs/dbraw/zinc/51/21/78/1166512178.db2.gz YNEOOAWUMCAZNN-CMPLNLGQSA-N 0 0 263.297 1.995 20 5 CDBDRN Nc1nccc(C(=O)NCC[C@@H]2C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC001155294342 1167118978 /nfs/dbraw/zinc/11/89/78/1167118978.db2.gz WAFOIALFFGBQNR-KOLCDFICSA-N 0 0 290.323 1.738 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000356714949 1167345277 /nfs/dbraw/zinc/34/52/77/1167345277.db2.gz USEASSQAJWQTAL-ZDUSSCGKSA-N 0 0 296.327 1.107 20 5 CDBDRN CC[C@H](CO)N(C)c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590448111 1173412876 /nfs/dbraw/zinc/41/28/76/1173412876.db2.gz FRNUQFFZRXVSLW-ZCFIWIBFSA-N 0 0 298.328 1.044 20 5 CDBDRN CN(Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC(F)F ZINC001591126417 1173575240 /nfs/dbraw/zinc/57/52/40/1173575240.db2.gz VDBMGZVRRNBAHQ-UHFFFAOYSA-N 0 0 298.253 1.472 20 5 CDBDRN CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001591155624 1173585640 /nfs/dbraw/zinc/58/56/40/1173585640.db2.gz PGRVASJXUAPLPX-UHFFFAOYSA-N 0 0 260.257 1.374 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1-n1ccnc1 ZINC001593469502 1174078157 /nfs/dbraw/zinc/07/81/57/1174078157.db2.gz SXHPJQMFLFXVNC-UHFFFAOYSA-N 0 0 275.203 1.100 20 5 CDBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001593471334 1174080726 /nfs/dbraw/zinc/08/07/26/1174080726.db2.gz SKRWHBRIKRSFIN-BZBKMWRSSA-N 0 0 286.295 1.985 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](F)C2)c(-c2nn[nH]n2)c1 ZINC001593479226 1174081169 /nfs/dbraw/zinc/08/11/69/1174081169.db2.gz UUZGCPXWQLXZQC-QMMMGPOBSA-N 0 0 292.274 1.713 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]3C2)cc1-c1nn[nH]n1 ZINC001593476692 1174081347 /nfs/dbraw/zinc/08/13/47/1174081347.db2.gz VASGORJDPPVPPE-RKDXNWHRSA-N 0 0 286.295 1.621 20 5 CDBDRN O=[N+]([O-])c1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)ccc1-c1nn[nH]n1 ZINC001593473460 1174082214 /nfs/dbraw/zinc/08/22/14/1174082214.db2.gz DDEWZINMESEJGC-BZBKMWRSSA-N 0 0 286.295 1.985 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@H](F)C1 ZINC001593480920 1174085585 /nfs/dbraw/zinc/08/55/85/1174085585.db2.gz NIJDBRXWIXMZKU-ZETCQYMHSA-N 0 0 278.247 1.323 20 5 CDBDRN O=C([O-])C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001601907805 1175060270 /nfs/dbraw/zinc/06/02/70/1175060270.db2.gz YFGIPGYVOSLCNM-LLVKDONJSA-N 0 0 264.281 1.938 20 5 CDBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OC[C@H]1CCC(=O)N1 ZINC000125289100 1175351830 /nfs/dbraw/zinc/35/18/30/1175351830.db2.gz WOYHZDHZHBLKAL-TXGYYHNKSA-N 0 0 290.275 1.430 20 5 CDBDRN O=[N+]([O-])c1c(F)cc(F)cc1N[C@H]1CCS(=O)(=O)C1 ZINC000132876183 1175798112 /nfs/dbraw/zinc/79/81/12/1175798112.db2.gz XVVFCDYGPVSAPD-ZETCQYMHSA-N 0 0 292.263 1.472 20 5 CDBDRN Cc1cc(C(=O)N2CCCC[C@H]2CO)cc([N+](=O)[O-])c1 ZINC000134421901 1175817802 /nfs/dbraw/zinc/81/78/02/1175817802.db2.gz CPQCMLIREHABMK-LBPRGKRZSA-N 0 0 278.308 1.890 20 5 CDBDRN COc1cccc(N[C@@H]2CCN(C)C2=O)c1[N+](=O)[O-] ZINC000230274371 1178148416 /nfs/dbraw/zinc/14/84/16/1178148416.db2.gz JOKSMWIKIAKVGC-SECBINFHSA-N 0 0 265.269 1.246 20 5 CDBDRN Cc1nc(Cl)nc(NCc2ncon2)c1[N+](=O)[O-] ZINC000231838829 1178180970 /nfs/dbraw/zinc/18/09/70/1178180970.db2.gz KBZGWIPVBHOEHY-UHFFFAOYSA-N 0 0 270.636 1.342 20 5 CDBDRN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC001608914581 1164683038 /nfs/dbraw/zinc/68/30/38/1164683038.db2.gz YOWJTCIOHJLTJF-LLVKDONJSA-N 0 0 280.280 1.250 20 5 CDBDRN C[C@H](CCCO)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868641381 1164974828 /nfs/dbraw/zinc/97/48/28/1164974828.db2.gz JMJJSPCVQIPRNY-SNVBAGLBSA-N 0 0 298.314 1.801 20 5 CDBDRN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC001610117772 1165222124 /nfs/dbraw/zinc/22/21/24/1165222124.db2.gz DEFYVNPWFRRDMR-CYBMUJFWSA-N 0 0 294.307 1.496 20 5 CDBDRN CNc1ccc(C(=O)N2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000055470274 1167024809 /nfs/dbraw/zinc/02/48/09/1167024809.db2.gz FPYPEINUMQNWLG-LLVKDONJSA-N 0 0 293.323 1.624 20 5 CDBDRN CC[C@@H](O[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)C(N)=O ZINC001206200699 912567692 /nfs/dbraw/zinc/56/76/92/912567692.db2.gz QXQCEQPOUNPTRA-SKDRFNHKSA-N 0 0 296.279 1.014 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N(C)C1CCS(=O)(=O)CC1 ZINC001167099832 894511865 /nfs/dbraw/zinc/51/18/65/894511865.db2.gz HVZUEMWVYFYADR-UHFFFAOYSA-N 0 0 299.352 1.312 20 5 CDBDRN Nc1nc(N2CCC(n3cnnc3)CC2)ccc1[N+](=O)[O-] ZINC001167117193 894621161 /nfs/dbraw/zinc/62/11/61/894621161.db2.gz BNKVODNKTDTTRC-UHFFFAOYSA-N 0 0 289.299 1.005 20 5 CDBDRN Cc1cc(Cl)c(-n2cnc(CN)cc2=N)c([N+](=O)[O-])c1 ZINC001167365351 895441625 /nfs/dbraw/zinc/44/16/25/895441625.db2.gz RCQKNUGAGWMXSI-UHFFFAOYSA-N 0 0 293.714 1.680 20 5 CDBDRN COc1ccc(Nc2cc3n(n2)CCO3)cc1[N+](=O)[O-] ZINC001176364472 914087059 /nfs/dbraw/zinc/08/70/59/914087059.db2.gz WUGFYIJAUJGNIW-UHFFFAOYSA-N 0 0 276.252 1.936 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1C(=O)Nc2c1cccc2F ZINC001123052323 914115255 /nfs/dbraw/zinc/11/52/55/914115255.db2.gz IRJMCBBJOQAYHB-VXNVDRBHSA-N 0 0 296.254 1.460 20 5 CDBDRN COc1ccc(CO[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001217899166 898020772 /nfs/dbraw/zinc/02/07/72/898020772.db2.gz AEWFVHCCQFZQCC-HOMQSWHASA-N 0 0 253.254 1.643 20 5 CDBDRN Nc1nc(N2CC[C@H]3OCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000724841544 898265595 /nfs/dbraw/zinc/26/55/95/898265595.db2.gz UFPMWQIKKVUHOV-WCBMZHEXSA-N 0 0 264.285 1.187 20 5 CDBDRN O=c1[nH]ccc(NC[C@H]2CSCCS2)c1[N+](=O)[O-] ZINC000695466878 899480858 /nfs/dbraw/zinc/48/08/58/899480858.db2.gz BMXWIHYRGNUFCD-ZETCQYMHSA-N 0 0 287.366 1.956 20 5 CDBDRN CC[C@@H](C)[C@@](C)(O)CNc1c(C)cncc1[N+](=O)[O-] ZINC001341769196 900482815 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COc1nc(C)nc(NC2CSC2)c1[N+](=O)[O-] ZINC001168360271 909345220 /nfs/dbraw/zinc/34/52/20/909345220.db2.gz WQLGLZQNLDGTQZ-UHFFFAOYSA-N 0 0 256.287 1.229 20 5 CDBDRN O=C(NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001093455241 909819151 /nfs/dbraw/zinc/81/91/51/909819151.db2.gz CCHDPNKHCFKZSP-UHFFFAOYSA-N 0 0 292.251 1.130 20 5 CDBDRN C/C=C(/C)C(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093545027 909951453 /nfs/dbraw/zinc/95/14/53/909951453.db2.gz YTQSSKPCTGFWPC-WTKPLQERSA-N 0 0 278.312 1.793 20 5 CDBDRN O=C(NCCNc1ccc([N+](=O)[O-])cn1)C1=CCCC1 ZINC001093547545 909952611 /nfs/dbraw/zinc/95/26/11/909952611.db2.gz NFWCNTKUWWUQNX-UHFFFAOYSA-N 0 0 276.296 1.628 20 5 CDBDRN Cc1ccc(NCCNC(=O)c2cnon2)c([N+](=O)[O-])c1 ZINC001093798488 910149394 /nfs/dbraw/zinc/14/93/94/910149394.db2.gz QCLJQBKAVYPLLE-UHFFFAOYSA-N 0 0 291.267 1.128 20 5 CDBDRN CC(C)(C(=O)NCCNc1ncccc1[N+](=O)[O-])C1CC1 ZINC001094053518 910296204 /nfs/dbraw/zinc/29/62/04/910296204.db2.gz BQTIJXYHJDUOHR-UHFFFAOYSA-N 0 0 292.339 1.954 20 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C[C@H]1CN(C)C(=O)CN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156180640 927399061 /nfs/dbraw/zinc/39/90/61/927399061.db2.gz DFFKZMJKHULXBO-ZETCQYMHSA-N 0 0 284.703 1.310 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1coc(-c2cccnc2)n1 ZINC000851046013 927506096 /nfs/dbraw/zinc/50/60/96/927506096.db2.gz NKAOWOCVRRUZHZ-MRVPVSSYSA-N 0 0 277.236 1.559 20 5 CDBDRN COC(=O)[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(F)(F)F ZINC001168985856 927574819 /nfs/dbraw/zinc/57/48/19/927574819.db2.gz VGCOJLGLQNQQBO-RNJXMRFFSA-N 0 0 284.234 1.125 20 5 CDBDRN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056329 927672137 /nfs/dbraw/zinc/67/21/37/927672137.db2.gz RVJXZZXNDGCNCA-FPYNETTCSA-N 0 0 282.340 1.458 20 5 CDBDRN COc1ncc([N+](=O)[O-])c(N[C@@H](C)c2cnccn2)n1 ZINC001169515853 928128305 /nfs/dbraw/zinc/12/83/05/928128305.db2.gz ZYKGCMYXUPLNPL-ZETCQYMHSA-N 0 0 276.256 1.357 20 5 CDBDRN Cc1n[nH]c(C(=O)NC[C@@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000781486838 937222284 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CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H](C)O ZINC000456223291 364038726 /nfs/dbraw/zinc/03/87/26/364038726.db2.gz HZVMQRMTFIKBKS-JQWIXIFHSA-N 0 0 296.323 1.558 20 5 CDBDRN O=[N+]([O-])c1ccccc1NCCNc1nccn2cnnc12 ZINC000345854752 364043433 /nfs/dbraw/zinc/04/34/33/364043433.db2.gz ROBOFSUILZMOPN-UHFFFAOYSA-N 0 0 299.294 1.557 20 5 CDBDRN CC[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)O ZINC000456233240 364047345 /nfs/dbraw/zinc/04/73/45/364047345.db2.gz UKTBHRXNDCUXLY-QWRGUYRKSA-N 0 0 298.343 1.074 20 5 CDBDRN Cc1nc(NCC2CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000581925111 364057580 /nfs/dbraw/zinc/05/75/80/364057580.db2.gz JQMZTIMQJKTEEF-UHFFFAOYSA-N 0 0 250.302 1.963 20 5 CDBDRN O=C([C@@H]1COCCO1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000179095366 296058021 /nfs/dbraw/zinc/05/80/21/296058021.db2.gz KFFYVVVNVAZRJU-ZDUSSCGKSA-N 0 0 292.291 1.289 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)O)c1 ZINC000088147615 364261096 /nfs/dbraw/zinc/26/10/96/364261096.db2.gz DLHBWAYJEHYPJN-UHFFFAOYSA-N 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ZINC001307407479 956406994 /nfs/dbraw/zinc/40/69/94/956406994.db2.gz NVRJCYWGFOJUMJ-UHFFFAOYSA-N 0 0 261.237 1.972 20 5 CDBDRN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2nn[nH]n2)C1 ZINC001308036556 956461600 /nfs/dbraw/zinc/46/16/00/956461600.db2.gz XTQMDGOTNWWZLM-QMMMGPOBSA-N 0 0 292.274 1.237 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NCCC1(CO)CC1 ZINC001330592222 956499991 /nfs/dbraw/zinc/49/99/91/956499991.db2.gz LZKUOADHSFBHRN-UHFFFAOYSA-N 0 0 251.286 1.295 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H](CO)CC1CC1 ZINC001330691508 956570110 /nfs/dbraw/zinc/57/01/10/956570110.db2.gz HHVCKJPOKLRHEP-NSHDSACASA-N 0 0 265.313 1.541 20 5 CDBDRN C[C@]([NH3+])(C(=O)N[C@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC001331000388 956750950 /nfs/dbraw/zinc/75/09/50/956750950.db2.gz OTJWCTHSTZXEAC-GXTWGEPZSA-N 0 0 289.335 1.828 20 5 CDBDRN O=C(NC[C@@H]1CCCOC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001331834937 957290295 /nfs/dbraw/zinc/29/02/95/957290295.db2.gz XYLKGWCCTHQTFL-GXFFZTMASA-N 0 0 294.307 1.171 20 5 CDBDRN CC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC001332148775 957451089 /nfs/dbraw/zinc/45/10/89/957451089.db2.gz NZPFYBLWYLJUJW-UHFFFAOYSA-N 0 0 291.307 1.512 20 5 CDBDRN COC/C=C\C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001332405287 957549559 /nfs/dbraw/zinc/54/95/59/957549559.db2.gz TWMFFXZZALQFOS-XOULXFPDSA-N 0 0 264.281 1.975 20 5 CDBDRN CC(C)OC(=O)COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001317815632 957676647 /nfs/dbraw/zinc/67/66/47/957676647.db2.gz OLPYQYYYMSCQDE-UHFFFAOYSA-N 0 0 297.263 1.468 20 5 CDBDRN CC(C)c1[nH]nc(C(=O)OC[C@H](O)C(C)C)c1[N+](=O)[O-] ZINC001333228795 958172663 /nfs/dbraw/zinc/17/26/63/958172663.db2.gz RUWMHKOZZYHIST-QMMMGPOBSA-N 0 0 285.300 1.615 20 5 CDBDRN CC(=O)C1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001333347221 958268360 /nfs/dbraw/zinc/26/83/60/958268360.db2.gz JRPAMRJRDOYAJP-UHFFFAOYSA-N 0 0 276.292 1.765 20 5 CDBDRN CC(C)OCCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001319247008 958457820 /nfs/dbraw/zinc/45/78/20/958457820.db2.gz XVQSLSYRNZUHCM-UHFFFAOYSA-N 0 0 271.229 1.090 20 5 CDBDRN COC(=O)[C@@H](C)CN(C)c1ncc([N+](=O)[O-])cc1OC ZINC001333680728 958506868 /nfs/dbraw/zinc/50/68/68/958506868.db2.gz VXGYBCGPXGRILX-QMMMGPOBSA-N 0 0 283.284 1.244 20 5 CDBDRN CN(Cc1cc(C(C)(C)C)n[nH]1)c1c([N+](=O)[O-])cnn1C ZINC001333705123 958530217 /nfs/dbraw/zinc/53/02/17/958530217.db2.gz CIJIPYHSQVIMQI-UHFFFAOYSA-N 0 0 292.343 1.985 20 5 CDBDRN O=c1ccccn1CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319579285 958640836 /nfs/dbraw/zinc/64/08/36/958640836.db2.gz LIEGYUNCQHCLSQ-UHFFFAOYSA-N 0 0 285.303 1.772 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)C1CC1 ZINC001319608961 958651844 /nfs/dbraw/zinc/65/18/44/958651844.db2.gz WYMKFVKJXMEAPY-LBPRGKRZSA-N 0 0 293.323 1.527 20 5 CDBDRN O=C([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000162342770 959211837 /nfs/dbraw/zinc/21/18/37/959211837.db2.gz XRNSIKCADRBHIV-JTQLQIEISA-N 0 0 292.295 1.194 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1N(C)CCn1cccn1 ZINC001320588827 959259204 /nfs/dbraw/zinc/25/92/04/959259204.db2.gz BAWHDNSSHAUWBH-UHFFFAOYSA-N 0 0 261.285 1.631 20 5 CDBDRN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001594214240 959316591 /nfs/dbraw/zinc/31/65/91/959316591.db2.gz WXOMCVQHGDMFLV-NXEZZACHSA-N 0 0 282.300 1.119 20 5 CDBDRN COC[C@@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001335959351 960123270 /nfs/dbraw/zinc/12/32/70/960123270.db2.gz PBTDYMXBVYCONO-LLVKDONJSA-N 0 0 258.705 1.894 20 5 CDBDRN COc1ccc(CNc2cc(N)ncn2)cc1[N+](=O)[O-] ZINC001322496188 960239717 /nfs/dbraw/zinc/23/97/17/960239717.db2.gz NZMSICRGHWUAQZ-UHFFFAOYSA-N 0 0 275.268 1.588 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CCOC2=O)C1 ZINC001336352792 960314003 /nfs/dbraw/zinc/31/40/03/960314003.db2.gz SISLBPWRZMEWNM-GFCCVEGCSA-N 0 0 296.304 1.436 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[C@H](O)C1 ZINC001323176300 960503784 /nfs/dbraw/zinc/50/37/84/960503784.db2.gz SMMCQWGFRVZDFU-ZJUUUORDSA-N 0 0 251.286 1.293 20 5 CDBDRN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]1(F)CCOC1 ZINC001323427628 960728594 /nfs/dbraw/zinc/72/85/94/960728594.db2.gz MJKYXKGMTRECFL-CYBMUJFWSA-N 0 0 280.255 1.566 20 5 CDBDRN O=c1[nH]ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1[N+](=O)[O-] ZINC001337004507 960838759 /nfs/dbraw/zinc/83/87/59/960838759.db2.gz MQSZWROQYXBESW-NBEYISGCSA-N 0 0 251.242 1.427 20 5 CDBDRN C[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1CO ZINC001337680368 961359665 /nfs/dbraw/zinc/35/96/65/961359665.db2.gz VRQVFGFKHNHRLZ-PRHODGIISA-N 0 0 297.286 1.969 20 5 CDBDRN CCO[C@@H](CC(=O)Nc1c([N+](=O)[O-])ncn1C)C(C)C ZINC001337876765 961485516 /nfs/dbraw/zinc/48/55/16/961485516.db2.gz JAIFHGINVUUYKE-VIFPVBQESA-N 0 0 284.316 1.718 20 5 CDBDRN C[C@H](c1nnc(N2CCC[C@@H]2C2CCC2)n1C)[N+](=O)[O-] ZINC001338057600 961600942 /nfs/dbraw/zinc/60/09/42/961600942.db2.gz RKPPSFVFHMVIRF-MWLCHTKSSA-N 0 0 279.344 1.922 20 5 CDBDRN C[C@H]1CCCN1c1nnc(-c2c[nH]c([N+](=O)[O-])c2)n1C ZINC001338463284 961816977 /nfs/dbraw/zinc/81/69/77/961816977.db2.gz ZSBRXNWEEUCODO-QMMMGPOBSA-N 0 0 276.300 1.707 20 5 CDBDRN Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001338839009 962030360 /nfs/dbraw/zinc/03/03/60/962030360.db2.gz UGPCJKQFCKIDEL-GFCCVEGCSA-N 0 0 287.323 1.586 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001339325507 962305236 /nfs/dbraw/zinc/30/52/36/962305236.db2.gz AWVFMLXKGOCLKC-KOLCDFICSA-N 0 0 295.343 1.078 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001339329551 962307842 /nfs/dbraw/zinc/30/78/42/962307842.db2.gz YPJSZGOVZOXJIR-LLVKDONJSA-N 0 0 297.359 1.469 20 5 CDBDRN CCOC[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339610910 962449643 /nfs/dbraw/zinc/44/96/43/962449643.db2.gz QLFNMNWJWFUYTL-VIFPVBQESA-N 0 0 266.301 1.435 20 5 CDBDRN Cn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001339668434 962476701 /nfs/dbraw/zinc/47/67/01/962476701.db2.gz YVUSPTABSDGMPT-UWVGGRQHSA-N 0 0 265.317 1.361 20 5 CDBDRN CC[C@@H]1CCCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C1 ZINC001341360523 963382493 /nfs/dbraw/zinc/38/24/93/963382493.db2.gz RPKVEBGNAYEAMX-NXEZZACHSA-N 0 0 267.333 1.779 20 5 CDBDRN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H](C)C1 ZINC001342894234 963850925 /nfs/dbraw/zinc/85/09/25/963850925.db2.gz IXNPRLIWCOJLSP-JTQLQIEISA-N 0 0 267.333 1.557 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC001343674183 964087877 /nfs/dbraw/zinc/08/78/77/964087877.db2.gz MPOJLFWCGDNMBO-ZCFIWIBFSA-N 0 0 298.682 1.657 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1CSC(c2ccccc2)=N1 ZINC001344468165 964321026 /nfs/dbraw/zinc/32/10/26/964321026.db2.gz FHCIKAZWSHLRHU-NSHDSACASA-N 0 0 294.332 1.759 20 5 CDBDRN COC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001344702146 964404381 /nfs/dbraw/zinc/40/43/81/964404381.db2.gz GCEFZFJKRJMBLN-JFUSQASVSA-N 0 0 293.275 1.803 20 5 CDBDRN C[C@H](C(=O)OCC1COC1)c1cccc([N+](=O)[O-])c1 ZINC001345565866 964744424 /nfs/dbraw/zinc/74/44/24/964744424.db2.gz LZLNOGSZQBKOGZ-VIFPVBQESA-N 0 0 265.265 1.888 20 5 CDBDRN O=C(OCc1ccc2n[nH]cc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001345996586 964882751 /nfs/dbraw/zinc/88/27/51/964882751.db2.gz RMSNJUIRVTXXES-MWLCHTKSSA-N 0 0 261.237 1.271 20 5 CDBDRN CCN(CCSC)c1nnc(C[N+](=O)[O-])n1CC1CC1 ZINC001346079101 964910175 /nfs/dbraw/zinc/91/01/75/964910175.db2.gz INFGOHTVDDGUJT-UHFFFAOYSA-N 0 0 299.400 1.654 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)OCCC[N+](=O)[O-] ZINC001346361820 965065483 /nfs/dbraw/zinc/06/54/83/965065483.db2.gz KEEAZIKNFNOUJK-UHFFFAOYSA-N 0 0 283.240 1.460 20 5 CDBDRN CC(C)c1[nH]nc(C(=O)OCC[C@@H](C)O)c1[N+](=O)[O-] ZINC001346764319 965245083 /nfs/dbraw/zinc/24/50/83/965245083.db2.gz GVWGNVLUTLOZCV-SSDOTTSWSA-N 0 0 271.273 1.369 20 5 CDBDRN C[C@@H]1Cc2cnccc2N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001347073707 965359221 /nfs/dbraw/zinc/35/92/21/965359221.db2.gz ZGIWNHLBSWGDEO-SECBINFHSA-N 0 0 287.279 1.164 20 5 CDBDRN Cn1ccnc1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001347512839 965564063 /nfs/dbraw/zinc/56/40/63/965564063.db2.gz ZCZMQKLEMRQIRB-UHFFFAOYSA-N 0 0 274.280 1.301 20 5 CDBDRN O=[N+]([O-])c1ncccc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001348525555 966041560 /nfs/dbraw/zinc/04/15/60/966041560.db2.gz NJCNNGSYWHUDDA-JQWIXIFHSA-N 0 0 263.297 1.995 20 5 CDBDRN CO[C@H](C)CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001350123585 966586934 /nfs/dbraw/zinc/58/69/34/966586934.db2.gz BDLWYVCSDYMYDN-SSDOTTSWSA-N 0 0 271.248 1.890 20 5 CDBDRN C[C@H](c1nnc(N2CCCC2)n1CC1CC1)[N+](=O)[O-] ZINC001350519195 966689042 /nfs/dbraw/zinc/68/90/42/966689042.db2.gz YYXKVCYUKXIBRX-SECBINFHSA-N 0 0 265.317 1.626 20 5 CDBDRN C[C@@H]1CN(c2nnc(C[N+](=O)[O-])n2C)[C@H]2CCCC[C@@H]12 ZINC001350598040 966706159 /nfs/dbraw/zinc/70/61/59/966706159.db2.gz LWHVVUGWZRPNBR-VWYCJHECSA-N 0 0 279.344 1.607 20 5 CDBDRN O=C(O[C@@H]1CCOC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350867644 966783799 /nfs/dbraw/zinc/78/37/99/966783799.db2.gz PWVBLDAUNQKPSX-GFCCVEGCSA-N 0 0 278.264 1.836 20 5 CDBDRN Cc1nc(N2CCCC(=O)[C@@H]2C)ncc1[N+](=O)[O-] ZINC001352086765 967088523 /nfs/dbraw/zinc/08/85/23/967088523.db2.gz HVKRUNZWDSLDNM-QMMMGPOBSA-N 0 0 250.258 1.251 20 5 CDBDRN CCN(CC(OC)OC)C(=O)c1csc([N+](=O)[O-])c1 ZINC001352770068 967467837 /nfs/dbraw/zinc/46/78/37/967467837.db2.gz JUMYYNBMNDHWOI-UHFFFAOYSA-N 0 0 288.325 1.737 20 5 CDBDRN CC(=O)N[C@H](C)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001353435982 967980027 /nfs/dbraw/zinc/98/00/27/967980027.db2.gz OCSBJBHFXCWUCN-SSDOTTSWSA-N 0 0 295.270 1.148 20 5 CDBDRN CCN(CCNC(=O)C(C)(C)F)c1ncccc1[N+](=O)[O-] ZINC001100424879 968304987 /nfs/dbraw/zinc/30/49/87/968304987.db2.gz BRPKRMPIFIAOJV-UHFFFAOYSA-N 0 0 298.318 1.680 20 5 CDBDRN CC(=O)C1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001354057097 968441989 /nfs/dbraw/zinc/44/19/89/968441989.db2.gz DDQFDQIKZYBEML-UHFFFAOYSA-N 0 0 262.265 1.375 20 5 CDBDRN COc1ccc(CN(C)c2c([N+](=O)[O-])cnn2C)cn1 ZINC001355313209 969119094 /nfs/dbraw/zinc/11/90/94/969119094.db2.gz QKKAFOLNKKSZDD-UHFFFAOYSA-N 0 0 277.284 1.368 20 5 CDBDRN CC[C@H](F)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001357925624 969670470 /nfs/dbraw/zinc/67/04/70/969670470.db2.gz KFUDLHNTWZJHFC-ONGXEEELSA-N 0 0 296.302 1.751 20 5 CDBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CC(OCCO)C1 ZINC001548524035 969975530 /nfs/dbraw/zinc/97/55/30/969975530.db2.gz VMIRLGCWOIOGLI-UHFFFAOYSA-N 0 0 289.291 1.341 20 5 CDBDRN O=C(OCCN1CCC=N1)c1ccc([N+](=O)[O-])cc1 ZINC001519142062 970064991 /nfs/dbraw/zinc/06/49/91/970064991.db2.gz ZBKXMSHHCMOZKE-UHFFFAOYSA-N 0 0 263.253 1.443 20 5 CDBDRN CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001520723467 970217149 /nfs/dbraw/zinc/21/71/49/970217149.db2.gz RNYKZJZOJHGKIS-TXEJJXNPSA-N 0 0 293.371 1.744 20 5 CDBDRN CCCN(CCC)c1nnc([C@@H](C)[N+](=O)[O-])n1CCOC ZINC001514609493 976315545 /nfs/dbraw/zinc/31/55/45/976315545.db2.gz KXUTWDBJSVSEPV-LLVKDONJSA-N 0 0 299.375 1.889 20 5 CDBDRN C[C@@H](COC(=O)C[C@@H]1C(=O)Nc2c1cccc2F)[N+](=O)[O-] ZINC001515228623 976409239 /nfs/dbraw/zinc/40/92/39/976409239.db2.gz BJTQRLCZHQZRRB-CBAPKCEASA-N 0 0 296.254 1.460 20 5 CDBDRN C[C@](CO)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001592748723 979299097 /nfs/dbraw/zinc/29/90/97/979299097.db2.gz BWYKUTHUDKPKIH-LLVKDONJSA-N 0 0 288.687 1.173 20 5 CDBDRN CN(c1cnc2ccc([N+](=O)[O-])cc2n1)[C@H]1CCOC1 ZINC001158570164 1163228927 /nfs/dbraw/zinc/22/89/27/1163228927.db2.gz OXRMLBDZXVYZAF-JTQLQIEISA-N 0 0 274.280 1.763 20 5 CDBDRN CC[N@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001596224890 983615359 /nfs/dbraw/zinc/61/53/59/983615359.db2.gz IHLAKKMTFDWLLD-UHFFFAOYSA-N 0 0 296.279 1.368 20 5 CDBDRN COc1c(O)ccc(CN2CCC[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001599344070 997970861 /nfs/dbraw/zinc/97/08/61/997970861.db2.gz AMEZJMUCLIVTOI-VIFPVBQESA-N 0 0 296.279 1.358 20 5 CDBDRN C[C@@H]1OCC[C@@H]1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000601069450 342462223 /nfs/dbraw/zinc/46/22/23/342462223.db2.gz IYFRQKLTDVFADH-VHSXEESVSA-N 0 0 289.291 1.730 20 5 CDBDRN CNC(=O)c1ccc(N(C)CCF)c([N+](=O)[O-])c1 ZINC000601170335 342485777 /nfs/dbraw/zinc/48/57/77/342485777.db2.gz OSITXNQVOOYYHQ-UHFFFAOYSA-N 0 0 255.249 1.360 20 5 CDBDRN CC[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000601173366 342486185 /nfs/dbraw/zinc/48/61/85/342486185.db2.gz YUTXKMKKVVWPPK-LLVKDONJSA-N 0 0 288.307 1.501 20 5 CDBDRN COCC1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601186344 342489425 /nfs/dbraw/zinc/48/94/25/342489425.db2.gz MXADKTPZWQVAOJ-UHFFFAOYSA-N 0 0 274.280 1.621 20 5 CDBDRN CCC[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])OCC ZINC000600174714 341982819 /nfs/dbraw/zinc/98/28/19/341982819.db2.gz MTUVDPGGTQDQEA-MRVPVSSYSA-N 0 0 270.289 1.253 20 5 CDBDRN CO[C@H](C)CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589189455 342499010 /nfs/dbraw/zinc/49/90/10/342499010.db2.gz YQDHYEYCXODUDE-SNVBAGLBSA-N 0 0 296.323 1.833 20 5 CDBDRN COC(=O)[C@@]1(C)CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000601212437 342505132 /nfs/dbraw/zinc/50/51/32/342505132.db2.gz LLCGDSGBJHYHFG-UFBFGSQYSA-N 0 0 280.284 1.020 20 5 CDBDRN O=[N+]([O-])c1ccc2nccc(N[C@H]3C[C@@H](CO)C3)c2c1 ZINC000601212302 342505606 /nfs/dbraw/zinc/50/56/06/342505606.db2.gz YNKNPJPSDPVDIC-AOOOYVTPSA-N 0 0 273.292 1.748 20 5 CDBDRN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCC1 ZINC000589586583 342509512 /nfs/dbraw/zinc/50/95/12/342509512.db2.gz MIKSOUMAAUSLBK-ZETCQYMHSA-N 0 0 264.285 1.689 20 5 CDBDRN NC(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000589601772 342509560 /nfs/dbraw/zinc/50/95/60/342509560.db2.gz ZMZKBEJNFSHKII-UHFFFAOYSA-N 0 0 286.291 1.630 20 5 CDBDRN COc1cc(N2C[C@@H]3COC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000589599285 342509884 /nfs/dbraw/zinc/50/98/84/342509884.db2.gz CWKKGEXHQKOUJS-DTORHVGOSA-N 0 0 282.271 1.825 20 5 CDBDRN O=[N+]([O-])c1ncccc1N1CCC(F)(F)[C@H](CO)C1 ZINC000589695498 342512217 /nfs/dbraw/zinc/51/22/17/342512217.db2.gz FHDCKSMDTOZQLL-QMMMGPOBSA-N 0 0 273.239 1.444 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c[nH]nc2C1 ZINC000618468294 349466404 /nfs/dbraw/zinc/46/64/04/349466404.db2.gz NXYHIFWAKDHPRO-UHFFFAOYSA-N 0 0 286.291 1.825 20 5 CDBDRN NC(=O)N1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000589102014 342496938 /nfs/dbraw/zinc/49/69/38/342496938.db2.gz UFCLJZGPKRGYLN-SECBINFHSA-N 0 0 264.285 1.407 20 5 CDBDRN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[C@@H]3C)n2)n1C ZINC000589149976 342497846 /nfs/dbraw/zinc/49/78/46/342497846.db2.gz SGXOMHXEOWGKKS-FSPLSTOPSA-N 0 0 263.257 1.810 20 5 CDBDRN COCCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000124484212 187139873 /nfs/dbraw/zinc/13/98/73/187139873.db2.gz LHCBTSPBPDATNM-UHFFFAOYSA-N 0 0 266.297 1.632 20 5 CDBDRN Nc1cc(N2C[C@@H]3CCC[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000611525874 346812218 /nfs/dbraw/zinc/81/22/18/346812218.db2.gz LYQUOLTVFMWNER-UWVGGRQHSA-N 0 0 277.324 1.906 20 5 CDBDRN CCOC(=O)CCSc1c([N+](=O)[O-])ncn1C ZINC000601221516 342526557 /nfs/dbraw/zinc/52/65/57/342526557.db2.gz NAYWBOPFVICQJG-UHFFFAOYSA-N 0 0 259.287 1.374 20 5 CDBDRN Cc1c(CNC(=O)c2cccc(N)n2)cccc1[N+](=O)[O-] ZINC000231886186 341994875 /nfs/dbraw/zinc/99/48/75/341994875.db2.gz ZCCYGBCDGHXPJO-UHFFFAOYSA-N 0 0 286.291 1.810 20 5 CDBDRN O=C(NCCO[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000590384834 342541457 /nfs/dbraw/zinc/54/14/57/342541457.db2.gz FOJFBEVJZQVSKS-ZDUSSCGKSA-N 0 0 294.307 1.868 20 5 CDBDRN O=C(NCC1(O)CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000111357110 365582006 /nfs/dbraw/zinc/58/20/06/365582006.db2.gz FZKLOOHLSPKBSU-UHFFFAOYSA-N 0 0 267.285 1.348 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(N3CCC(O)CC3)c21 ZINC000611564895 346818803 /nfs/dbraw/zinc/81/88/03/346818803.db2.gz WLYANGGLPCTNGN-UHFFFAOYSA-N 0 0 274.280 1.499 20 5 CDBDRN COCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000590599534 342579712 /nfs/dbraw/zinc/57/97/12/342579712.db2.gz BNJOTGAGODBIIT-UHFFFAOYSA-N 0 0 280.324 1.880 20 5 CDBDRN CC(C)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000600307418 342056862 /nfs/dbraw/zinc/05/68/62/342056862.db2.gz VLMOMKCSHRILLU-SNVBAGLBSA-N 0 0 283.328 1.460 20 5 CDBDRN CC[C@@H](CNS(C)(=O)=O)Nc1ccc([N+](=O)[O-])s1 ZINC000590711318 342585468 /nfs/dbraw/zinc/58/54/68/342585468.db2.gz LFXWWWLPLTVOPU-ZETCQYMHSA-N 0 0 293.370 1.396 20 5 CDBDRN Cc1nn([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)cc1[N+](=O)[O-] ZINC000590739442 342586341 /nfs/dbraw/zinc/58/63/41/342586341.db2.gz LCFZUWSTKRLPLV-GARJFASQSA-N 0 0 278.312 1.720 20 5 CDBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC(Oc2ccncc2)C1 ZINC000609029274 342087097 /nfs/dbraw/zinc/08/70/97/342087097.db2.gz OGHUYMRZBKGESF-UHFFFAOYSA-N 0 0 299.286 1.893 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccn(C)n1 ZINC000608939306 342084750 /nfs/dbraw/zinc/08/47/50/342084750.db2.gz DSNNKPLPPUYAHY-UHFFFAOYSA-N 0 0 290.279 1.267 20 5 CDBDRN C[C@@H]1[C@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590881057 342603397 /nfs/dbraw/zinc/60/33/97/342603397.db2.gz JQXDLYZUCWFMKB-RDDDGLTNSA-N 0 0 284.699 1.844 20 5 CDBDRN O=C(c1cocn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000609161295 342092784 /nfs/dbraw/zinc/09/27/84/342092784.db2.gz NKVVFYIAWCIEBA-UHFFFAOYSA-N 0 0 259.221 1.786 20 5 CDBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CO)cc1OC ZINC000269462478 190495962 /nfs/dbraw/zinc/49/59/62/190495962.db2.gz CUMRUQPOTLGGJM-QMMMGPOBSA-N 0 0 298.295 1.113 20 5 CDBDRN C[C@H](O)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000082997530 178332821 /nfs/dbraw/zinc/33/28/21/178332821.db2.gz JYLAHOLFCGNOSK-LURJTMIESA-N 0 0 290.117 1.935 20 5 CDBDRN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000083133073 178339705 /nfs/dbraw/zinc/33/97/05/178339705.db2.gz SQWFNYQKHJRFSW-SECBINFHSA-N 0 0 277.280 1.957 20 5 CDBDRN CCc1nn(C)c(N[C@H]2CC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000591149695 342618795 /nfs/dbraw/zinc/61/87/95/342618795.db2.gz ZZVSXTIYQUAOOQ-AOOOYVTPSA-N 0 0 282.344 1.854 20 5 CDBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](C2CCC2)C1 ZINC000591125712 342619026 /nfs/dbraw/zinc/61/90/26/342619026.db2.gz MSHIZWXFGVLVDL-SNVBAGLBSA-N 0 0 291.307 1.958 20 5 CDBDRN Cc1c(CNC(=O)c2cnco2)cccc1[N+](=O)[O-] ZINC000616492809 342111284 /nfs/dbraw/zinc/11/12/84/342111284.db2.gz XWCSVSDIHALQJC-UHFFFAOYSA-N 0 0 261.237 1.821 20 5 CDBDRN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000248835690 343999837 /nfs/dbraw/zinc/99/98/37/343999837.db2.gz NWJKCTJQXPLHHK-DIYOJNKTSA-N 0 0 295.295 1.381 20 5 CDBDRN C[C@H]1SCC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000592003247 342660206 /nfs/dbraw/zinc/66/02/06/342660206.db2.gz LKZAOMAYVADSRZ-SFYZADRCSA-N 0 0 279.325 1.365 20 5 CDBDRN CO[C@@H]1COC[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000591974277 342660915 /nfs/dbraw/zinc/66/09/15/342660915.db2.gz KVCHDXRTRNBAHB-CHWSQXEVSA-N 0 0 289.291 1.391 20 5 CDBDRN COC(=O)[C@H]1C[C@H](O)CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000592007271 342661436 /nfs/dbraw/zinc/66/14/36/342661436.db2.gz YOXNZHSQABRUBQ-WPRPVWTQSA-N 0 0 298.270 1.094 20 5 CDBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000062884238 342163460 /nfs/dbraw/zinc/16/34/60/342163460.db2.gz KMUWPRGHPRMJEM-JTQLQIEISA-N 0 0 291.307 1.336 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[C@H](F)C1 ZINC000592664948 342716594 /nfs/dbraw/zinc/71/65/94/342716594.db2.gz RUDWLBURHODWLL-UWVGGRQHSA-N 0 0 297.286 1.153 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000592903573 342745493 /nfs/dbraw/zinc/74/54/93/342745493.db2.gz JENQAWGBKFNJFQ-XPUUQOCRSA-N 0 0 284.341 1.504 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H]2CCS[C@@H]2C)c1[N+](=O)[O-] ZINC000592903572 342745507 /nfs/dbraw/zinc/74/55/07/342745507.db2.gz JENQAWGBKFNJFQ-SVRRBLITSA-N 0 0 284.341 1.504 20 5 CDBDRN CC(C)n1nccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066043720 342169575 /nfs/dbraw/zinc/16/95/75/342169575.db2.gz HYIDGZLYINONIE-UHFFFAOYSA-N 0 0 292.299 1.598 20 5 CDBDRN Cc1cccc(C(=O)N[C@H]2CO[C@H](C)C2)c1[N+](=O)[O-] ZINC000592729348 342723090 /nfs/dbraw/zinc/72/30/90/342723090.db2.gz MJCRKYMXRYLQPT-NXEZZACHSA-N 0 0 264.281 1.810 20 5 CDBDRN C[C@H]1SCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592736885 342723903 /nfs/dbraw/zinc/72/39/03/342723903.db2.gz VDCYHHYGYQMYQY-SCZZXKLOSA-N 0 0 284.341 1.192 20 5 CDBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc2cccnc21 ZINC000048223029 342164877 /nfs/dbraw/zinc/16/48/77/342164877.db2.gz CFFDBYNJDVYSDO-UHFFFAOYSA-N 0 0 298.262 1.373 20 5 CDBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC1CC1 ZINC000593033929 342755765 /nfs/dbraw/zinc/75/57/65/342755765.db2.gz BLECBVWXYQXJSZ-UHFFFAOYSA-N 0 0 252.245 1.803 20 5 CDBDRN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573520904 361891750 /nfs/dbraw/zinc/89/17/50/361891750.db2.gz BHNSLYAJPMXDGN-UHIISALHSA-N 0 0 280.324 1.331 20 5 CDBDRN CC[C@H](c1ccncc1)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573424404 361877172 /nfs/dbraw/zinc/87/71/72/361877172.db2.gz QJWGDGABIQMCHM-LLVKDONJSA-N 0 0 289.295 1.936 20 5 CDBDRN CC[C@H]1COCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593063671 342761456 /nfs/dbraw/zinc/76/14/56/342761456.db2.gz IPSGDBLETWLJGU-LBPRGKRZSA-N 0 0 296.298 1.914 20 5 CDBDRN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000593084395 342763585 /nfs/dbraw/zinc/76/35/85/342763585.db2.gz JVVQHDWRZITXFV-GWCFXTLKSA-N 0 0 294.307 1.357 20 5 CDBDRN C[C@H](CCO)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593107744 342768959 /nfs/dbraw/zinc/76/89/59/342768959.db2.gz IBPFKKGGLWXOPU-SECBINFHSA-N 0 0 254.286 1.503 20 5 CDBDRN C[C@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000593108695 342769332 /nfs/dbraw/zinc/76/93/32/342769332.db2.gz AJQJRHNPKGFXDD-ZDUSSCGKSA-N 0 0 282.271 1.572 20 5 CDBDRN CCc1nn(C)c(NC[C@@H]2CC(=O)N(CC)C2)c1[N+](=O)[O-] ZINC000593499331 342808167 /nfs/dbraw/zinc/80/81/67/342808167.db2.gz RQSAFZOMZVHSCB-VIFPVBQESA-N 0 0 295.343 1.171 20 5 CDBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@H](CO)CCF)s1 ZINC000593510118 342805056 /nfs/dbraw/zinc/80/50/56/342805056.db2.gz TZYLAOYTPPNWGT-LURJTMIESA-N 0 0 286.288 1.732 20 5 CDBDRN C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000209111264 342197093 /nfs/dbraw/zinc/19/70/93/342197093.db2.gz TYZJMBMIJGPBKP-ZADCQDASSA-N 0 0 276.292 1.855 20 5 CDBDRN Cc1cnc(NCC[C@@]2(O)CCCOC2)c([N+](=O)[O-])c1 ZINC000593518709 342805941 /nfs/dbraw/zinc/80/59/41/342805941.db2.gz MLCXTTNKSUOBDQ-ZDUSSCGKSA-N 0 0 281.312 1.642 20 5 CDBDRN CC(C)(O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593495391 342807605 /nfs/dbraw/zinc/80/76/05/342807605.db2.gz GSLDHICQEHWIHI-UHFFFAOYSA-N 0 0 270.260 1.164 20 5 CDBDRN C[C@H](CCCO)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593733118 342830585 /nfs/dbraw/zinc/83/05/85/342830585.db2.gz XUCVLEDUYKHNOZ-SNVBAGLBSA-N 0 0 298.314 1.801 20 5 CDBDRN CNc1ccc(C(=O)N[C@@H](COC)C2CC2)cc1[N+](=O)[O-] ZINC000397378517 361976566 /nfs/dbraw/zinc/97/65/66/361976566.db2.gz FCTPYNKGNMMIOQ-LBPRGKRZSA-N 0 0 293.323 1.791 20 5 CDBDRN CNc1ccc(C(=O)N(C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593880996 342844464 /nfs/dbraw/zinc/84/44/64/342844464.db2.gz DFCCRJKOFPSXPT-SECBINFHSA-N 0 0 281.312 1.479 20 5 CDBDRN O=C(N[C@@H](CO)CCF)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593860935 342846472 /nfs/dbraw/zinc/84/64/72/342846472.db2.gz AYLWAHJBHKLKCP-SECBINFHSA-N 0 0 296.254 1.791 20 5 CDBDRN CCOC(=O)COCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000294975742 199278585 /nfs/dbraw/zinc/27/85/85/199278585.db2.gz LKLWFMBURXHOFJ-UHFFFAOYSA-N 0 0 283.284 1.290 20 5 CDBDRN COC(=O)[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087057198 342226394 /nfs/dbraw/zinc/22/63/94/342226394.db2.gz HRNFCQVINRBXAJ-VIFPVBQESA-N 0 0 280.280 1.205 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCC2(C(N)=O)CCOCC2)c1 ZINC000088722329 342227572 /nfs/dbraw/zinc/22/75/72/342227572.db2.gz KSKSVGYUCVQHOD-UHFFFAOYSA-N 0 0 293.323 1.597 20 5 CDBDRN Cc1nn(Cc2ccc(N(C)C)nc2)c(C)c1[N+](=O)[O-] ZINC000600508128 342229365 /nfs/dbraw/zinc/22/93/65/342229365.db2.gz IBRXTRQAYHYELW-UHFFFAOYSA-N 0 0 275.312 1.917 20 5 CDBDRN CCc1nn(C)c(N2CC(C(F)F)C2)c1[N+](=O)[O-] ZINC000588820473 342222490 /nfs/dbraw/zinc/22/24/90/342222490.db2.gz DLYJDPVRPLPOAM-UHFFFAOYSA-N 0 0 260.244 1.592 20 5 CDBDRN O=C(NCCCc1cc(=O)[nH][nH]1)c1csc([N+](=O)[O-])c1 ZINC000588876044 342223468 /nfs/dbraw/zinc/22/34/68/342223468.db2.gz 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C[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000164017290 365209341 /nfs/dbraw/zinc/20/93/41/365209341.db2.gz QHZMJOHHVGVVRE-LLVKDONJSA-N 0 0 298.364 1.951 20 5 CDBDRN CCN(C)C(=O)CNc1ncc([N+](=O)[O-])cc1F ZINC000413221497 240579221 /nfs/dbraw/zinc/57/92/21/240579221.db2.gz AJMCKIMTIUCVQW-UHFFFAOYSA-N 0 0 256.237 1.019 20 5 CDBDRN Cc1nc(N2CCCO[C@H](CF)C2)ncc1[N+](=O)[O-] ZINC000413473711 240706216 /nfs/dbraw/zinc/70/62/16/240706216.db2.gz AOFSGWYRFOBDBB-SECBINFHSA-N 0 0 270.264 1.258 20 5 CDBDRN COC(=O)[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000133687551 365339204 /nfs/dbraw/zinc/33/92/04/365339204.db2.gz XFJGRIIDSLWUCG-LLVKDONJSA-N 0 0 296.327 1.127 20 5 CDBDRN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275591149 193081459 /nfs/dbraw/zinc/08/14/59/193081459.db2.gz QTGGWDDYTGLYNL-SNVBAGLBSA-N 0 0 291.311 1.453 20 5 CDBDRN Nc1c(C(=O)N2CC[C@@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000457114496 365408368 /nfs/dbraw/zinc/40/83/68/365408368.db2.gz MLSVKBBSCZEEKM-SNVBAGLBSA-N 0 0 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COC(=O)c1c(OC)cccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001234602633 943910465 /nfs/dbraw/zinc/91/04/65/943910465.db2.gz QGGZQQBTWMLATR-GFCCVEGCSA-N 0 0 295.291 1.916 20 5 CDBDRN CC1=C(Oc2c(C)nccc2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001234899645 943968768 /nfs/dbraw/zinc/96/87/68/943968768.db2.gz CRWNUMWNRWWCSS-QMMMGPOBSA-N 0 0 264.237 1.896 20 5 CDBDRN CN1CCOC[C@H]1CNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000700128706 944291913 /nfs/dbraw/zinc/29/19/13/944291913.db2.gz BYJMWNDASPCBPE-SECBINFHSA-N 0 0 287.266 1.616 20 5 CDBDRN O=C(OCn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC001307297591 945801943 /nfs/dbraw/zinc/80/19/43/945801943.db2.gz FSHXRWAZDZNHNK-UHFFFAOYSA-N 0 0 288.263 1.764 20 5 CDBDRN Cc1nc(N2CCC([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001261261032 946022221 /nfs/dbraw/zinc/02/22/21/946022221.db2.gz HHBMYRWUSDVURW-LBPRGKRZSA-N 0 0 292.339 1.946 20 5 CDBDRN O=C(C1CSC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261851965 946302558 /nfs/dbraw/zinc/30/25/58/946302558.db2.gz NRHBCFFJHWSIOL-UHFFFAOYSA-N 0 0 264.306 1.800 20 5 CDBDRN O=C1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479206 947455044 /nfs/dbraw/zinc/45/50/44/947455044.db2.gz SHSKOCJQIYGRHQ-UHFFFAOYSA-N 0 0 289.335 1.838 20 5 CDBDRN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCS(=O)(=O)CC1 ZINC001254552846 947519834 /nfs/dbraw/zinc/51/98/34/947519834.db2.gz PUPNUHJEDGCRHZ-NSHDSACASA-N 0 0 298.364 1.256 20 5 CDBDRN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(C)(O)C1 ZINC001254551160 947520475 /nfs/dbraw/zinc/52/04/75/947520475.db2.gz ZGRZFOGVFJOJSN-SNVBAGLBSA-N 0 0 250.298 1.592 20 5 CDBDRN Cc1nnc2n1CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254600954 947549742 /nfs/dbraw/zinc/54/97/42/947549742.db2.gz SOTUTQZQOKSHNC-CQSZACIVSA-N 0 0 299.334 1.478 20 5 CDBDRN Cn1cc(Cn2cc([N+](=O)[O-])cn2)c(C(F)F)n1 ZINC001255046806 947714471 /nfs/dbraw/zinc/71/44/71/947714471.db2.gz OWWYDTQFHNSRDQ-UHFFFAOYSA-N 0 0 257.200 1.511 20 5 CDBDRN Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)nc1 ZINC001247107687 948593830 /nfs/dbraw/zinc/59/38/30/948593830.db2.gz FYTDEIGOJMXYAC-UHFFFAOYSA-N 0 0 286.251 1.593 20 5 CDBDRN O=[N+]([O-])CCc1nc(-c2ncccc2C2CC2)no1 ZINC001247523958 948663228 /nfs/dbraw/zinc/66/32/28/948663228.db2.gz DYHUXOLBPLZLFJ-UHFFFAOYSA-N 0 0 260.253 1.828 20 5 CDBDRN Cc1nn(C)c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1C ZINC001324968157 953659912 /nfs/dbraw/zinc/65/99/12/953659912.db2.gz SKJAUFAMHANRJV-UHFFFAOYSA-N 0 0 292.299 1.239 20 5 CDBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(F)F ZINC001325278479 953813562 /nfs/dbraw/zinc/81/35/62/953813562.db2.gz NGSJDSHIYDZGBS-VIFPVBQESA-N 0 0 273.239 1.951 20 5 CDBDRN Cc1nnc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C)n2)[nH]1 ZINC001307114503 954130773 /nfs/dbraw/zinc/13/07/73/954130773.db2.gz FDRINAVXZIWUJV-ZCFIWIBFSA-N 0 0 263.261 1.293 20 5 CDBDRN CC[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@@H](C)[S@@]1=O ZINC001335001847 954412980 /nfs/dbraw/zinc/41/29/80/954412980.db2.gz WXGITMNWVZEXHI-LQJGKPAFSA-N 0 0 286.357 1.064 20 5 CDBDRN Nc1nc(N2OC3CCC2CC3)ncc1[N+](=O)[O-] ZINC001307190097 954638820 /nfs/dbraw/zinc/63/88/20/954638820.db2.gz PPFRIWDKJNYICV-UHFFFAOYSA-N 0 0 251.246 1.030 20 5 CDBDRN Cc1noc(CCCn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC001326971016 954646111 /nfs/dbraw/zinc/64/61/11/954646111.db2.gz ORDDBUSKJBCTOF-UHFFFAOYSA-N 0 0 264.241 1.081 20 5 CDBDRN CNC(=O)N[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC001307210043 954843985 /nfs/dbraw/zinc/84/39/85/954843985.db2.gz XUYOIQBQKBALFO-SNVBAGLBSA-N 0 0 278.312 1.493 20 5 CDBDRN C[C@H]([C@H](C)O)n1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001327386984 954856576 /nfs/dbraw/zinc/85/65/76/954856576.db2.gz OEQBZXZTOYMBCH-BDAKNGLRSA-N 0 0 262.269 1.795 20 5 CDBDRN O=C1CC[C@H](Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)O1 ZINC001327996761 955150837 /nfs/dbraw/zinc/15/08/37/955150837.db2.gz QEVOEYCEILDNCS-SECBINFHSA-N 0 0 289.247 1.010 20 5 CDBDRN O=[N+]([O-])c1cc(OCCOCCO)c(F)cc1F ZINC001328046242 955171942 /nfs/dbraw/zinc/17/19/42/955171942.db2.gz QTDKFQLPAISCRW-UHFFFAOYSA-N 0 0 263.196 1.261 20 5 CDBDRN C[C@@H]1CCN(CN2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001328634928 955388806 /nfs/dbraw/zinc/38/88/06/955388806.db2.gz MXADXAKEWZWCJJ-SNVBAGLBSA-N 0 0 275.308 1.736 20 5 CDBDRN CC[C@@H](C(=O)OC)C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001329440254 955916050 /nfs/dbraw/zinc/91/60/50/955916050.db2.gz REYSZGCWGCLJQG-JTQLQIEISA-N 0 0 299.254 1.976 20 5 CDBDRN C[C@@H](c1nnc(N(C)C[C@H]2CC2(C)C)n1C)[N+](=O)[O-] ZINC001338057848 956256915 /nfs/dbraw/zinc/25/69/15/956256915.db2.gz SXVLRTNNAGVKJL-DTWKUNHWSA-N 0 0 267.333 1.635 20 5 CDBDRN C[C@H](c1nnc(N(C)C[C@H]2CC2(C)C)n1C)[N+](=O)[O-] ZINC001338057850 956256995 /nfs/dbraw/zinc/25/69/95/956256995.db2.gz SXVLRTNNAGVKJL-RKDXNWHRSA-N 0 0 267.333 1.635 20 5 CDBDRN Nc1c(C(=O)NCc2cnccn2)cc(F)cc1[N+](=O)[O-] ZINC001305517142 956262848 /nfs/dbraw/zinc/26/28/48/956262848.db2.gz PUWADNNDWUFQRS-UHFFFAOYSA-N 0 0 291.242 1.036 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001305525108 956266564 /nfs/dbraw/zinc/26/65/64/956266564.db2.gz MUYNRHQNCCMYBN-MNOVXSKESA-N 0 0 294.311 1.492 20 5 CDBDRN O=[N+]([O-])C1C[C@H]1c1nnc(-c2ccc(Cl)nc2)o1 ZINC001330099175 956273993 /nfs/dbraw/zinc/27/39/93/956273993.db2.gz LAXYMEZGZVFBIS-RNFRBKRXSA-N 0 0 266.644 1.918 20 5 CDBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1N=NC(=O)N1C ZINC001307155508 956372413 /nfs/dbraw/zinc/37/24/13/956372413.db2.gz UUGUDUWQTNZRLR-YFKPBYRVSA-N 0 0 282.235 1.136 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCn2nccc2C1 ZINC001307174072 956375324 /nfs/dbraw/zinc/37/53/24/956375324.db2.gz WJQKTZRUCBYVJZ-UHFFFAOYSA-N 0 0 276.300 1.336 20 5 CDBDRN COC(=O)c1oc(CNc2ccncc2[N+](=O)[O-])cc1C ZINC001307181905 956376412 /nfs/dbraw/zinc/37/64/12/956376412.db2.gz MFGRUGKXCOWVBX-UHFFFAOYSA-N 0 0 291.263 1.712 20 5 CDBDRN CC[C@H](C[C@@H](C)O)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001307192478 956377292 /nfs/dbraw/zinc/37/72/92/956377292.db2.gz YCVIZPBRLKIXBR-VXNVDRBHSA-N 0 0 254.290 1.655 20 5 CDBDRN C[C@@H]1CC(=O)NN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001307827350 956444680 /nfs/dbraw/zinc/44/46/80/956444680.db2.gz NZTQWJANPXVLHZ-SSDOTTSWSA-N 0 0 253.233 1.359 20 5 CDBDRN CC[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC001309421328 956634902 /nfs/dbraw/zinc/63/49/02/956634902.db2.gz SAUITVPOHYXJAW-NXEZZACHSA-N 0 0 299.352 1.799 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC(CCO)C1 ZINC001310094308 956672251 /nfs/dbraw/zinc/67/22/51/956672251.db2.gz FMPSIQMFQVOPJP-UHFFFAOYSA-N 0 0 279.296 1.877 20 5 CDBDRN CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000084102106 957857492 /nfs/dbraw/zinc/85/74/92/957857492.db2.gz WAZDNCMQRPSYEI-NSHDSACASA-N 0 0 252.270 1.590 20 5 CDBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc[nH]n1 ZINC001318166809 957953060 /nfs/dbraw/zinc/95/30/60/957953060.db2.gz KSXXNUFGLRMUJT-UHFFFAOYSA-N 0 0 276.252 1.726 20 5 CDBDRN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774805 958312138 /nfs/dbraw/zinc/31/21/38/958312138.db2.gz PLVXOAMZAQGIIG-NSHDSACASA-N 0 0 268.244 1.687 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1C=CCCC1 ZINC001333436758 958337555 /nfs/dbraw/zinc/33/75/55/958337555.db2.gz BPSDBZXZUKAOCF-JTQLQIEISA-N 0 0 276.296 1.950 20 5 CDBDRN O=C(c1n[nH]c2c1CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319124039 958383828 /nfs/dbraw/zinc/38/38/28/958383828.db2.gz ZCEZTQSFNJVKBQ-UHFFFAOYSA-N 0 0 298.302 1.963 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(=O)CC[C@H]1C ZINC001333999891 958753584 /nfs/dbraw/zinc/75/35/84/958753584.db2.gz XXCMPWJCGRHQJU-SECBINFHSA-N 0 0 291.307 1.830 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CSC1 ZINC001333998079 958754135 /nfs/dbraw/zinc/75/41/35/958754135.db2.gz NCYLONYWKWGXNJ-UHFFFAOYSA-N 0 0 252.295 1.369 20 5 CDBDRN Cn1cc(CSCc2cccnc2[N+](=O)[O-])nn1 ZINC001334034631 958785182 /nfs/dbraw/zinc/78/51/82/958785182.db2.gz QJGBVSXRHFFSFR-UHFFFAOYSA-N 0 0 265.298 1.552 20 5 CDBDRN CCn1nnc(C)c1C[S@](=O)c1cccc([N+](=O)[O-])c1 ZINC001334086923 958825784 /nfs/dbraw/zinc/82/57/84/958825784.db2.gz JGUBHZBYSYGQRG-FQEVSTJZSA-N 0 0 294.336 1.822 20 5 CDBDRN Cc1nnc(CNc2sccc2[N+](=O)[O-])n1C ZINC001320637410 959287093 /nfs/dbraw/zinc/28/70/93/959287093.db2.gz MWDAKKGTIHKKSR-UHFFFAOYSA-N 0 0 253.287 1.705 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CC(C)C ZINC001334781045 959362519 /nfs/dbraw/zinc/36/25/19/959362519.db2.gz GPNUPBFJYOUIJW-SNVBAGLBSA-N 0 0 295.339 1.773 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001321825347 959973707 /nfs/dbraw/zinc/97/37/07/959973707.db2.gz JUEYUDXHGUKKEO-STQMWFEESA-N 0 0 293.323 1.682 20 5 CDBDRN Cc1cccnc1OC1CCN(CC[N+](=O)[O-])CC1 ZINC001335958019 960123161 /nfs/dbraw/zinc/12/31/61/960123161.db2.gz IWOWSPMJUOZQAW-UHFFFAOYSA-N 0 0 265.313 1.510 20 5 CDBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1F ZINC001337080643 960923372 /nfs/dbraw/zinc/92/33/72/960923372.db2.gz PUYQWEKOPJIEMZ-BDAKNGLRSA-N 0 0 267.260 1.481 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NCCC(=O)N1CCCCC1 ZINC001324322698 961304238 /nfs/dbraw/zinc/30/42/38/961304238.db2.gz GDRKFJJQQBDNKA-UHFFFAOYSA-N 0 0 292.339 1.535 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1cn[nH]c1 ZINC001338100109 961630125 /nfs/dbraw/zinc/63/01/25/961630125.db2.gz YGSLWLBIIHJLHG-UHFFFAOYSA-N 0 0 264.289 1.479 20 5 CDBDRN C[C@@H]1CCC[C@@H](N(C)c2nnc(C[N+](=O)[O-])n2C)C1 ZINC001338205955 961687062 /nfs/dbraw/zinc/68/70/62/961687062.db2.gz OWAKYFLBOPLKBU-NXEZZACHSA-N 0 0 267.333 1.607 20 5 CDBDRN Cn1c(C[N+](=O)[O-])nnc1N(CC1CC1)C1CCC1 ZINC001338839399 962028963 /nfs/dbraw/zinc/02/89/63/962028963.db2.gz WKGAGNSIGGFCLO-UHFFFAOYSA-N 0 0 265.317 1.361 20 5 CDBDRN C[C@@H]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)[C@H]1C ZINC001339101041 962173475 /nfs/dbraw/zinc/17/34/75/962173475.db2.gz IHRBURIXUGTDGG-BDAKNGLRSA-N 0 0 290.327 1.953 20 5 CDBDRN CON(C)c1nnc(-c2cc(C)cc([N+](=O)[O-])c2)n1C ZINC001339177285 962225790 /nfs/dbraw/zinc/22/57/90/962225790.db2.gz ZJVWIXWGKFCPRY-UHFFFAOYSA-N 0 0 277.284 1.696 20 5 CDBDRN Cc1n[nH]cc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339544726 962415636 /nfs/dbraw/zinc/41/56/36/962415636.db2.gz JRGGVDKTDGXZKP-UHFFFAOYSA-N 0 0 272.264 1.782 20 5 CDBDRN CC1=CCCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001339631705 962460442 /nfs/dbraw/zinc/46/04/42/962460442.db2.gz YOVNVGRCPWGOIJ-UHFFFAOYSA-N 0 0 265.317 1.181 20 5 CDBDRN Cn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001339821131 962557746 /nfs/dbraw/zinc/55/77/46/962557746.db2.gz AUSJLRHHECLIDK-PSASIEDQSA-N 0 0 288.311 1.565 20 5 CDBDRN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)CCC1CC1 ZINC001340878405 963170624 /nfs/dbraw/zinc/17/06/24/963170624.db2.gz MUMMOJAQGGTJAJ-SECBINFHSA-N 0 0 267.333 1.872 20 5 CDBDRN C[C@@H]1C[C@H](C)CN1c1nnc(-c2c[nH]c([N+](=O)[O-])c2)n1C ZINC001341606821 963480283 /nfs/dbraw/zinc/48/02/83/963480283.db2.gz KFMMHVSXMJSHLV-DTWKUNHWSA-N 0 0 290.327 1.953 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001342662545 963792238 /nfs/dbraw/zinc/79/22/38/963792238.db2.gz ZETKDQMBAHHHLA-AXFHLTTASA-N 0 0 295.343 1.251 20 5 CDBDRN CCOC(=O)[C@](C)(O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001342858681 963842699 /nfs/dbraw/zinc/84/26/99/963842699.db2.gz INYHGRSQAXXCRU-CQSZACIVSA-N 0 0 294.307 1.225 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCCc1ncnn1C ZINC001343424421 963978642 /nfs/dbraw/zinc/97/86/42/963978642.db2.gz ILUFVHMODRIPLL-UHFFFAOYSA-N 0 0 290.279 1.431 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001343679343 964094019 /nfs/dbraw/zinc/09/40/19/964094019.db2.gz LYUBWONJKMNUKX-YACGNSKGSA-N 0 0 290.275 1.105 20 5 CDBDRN COc1ccc(NC(=O)N[C@@H]2CC[C@H]2O)c([N+](=O)[O-])c1 ZINC001344510912 964336300 /nfs/dbraw/zinc/33/63/00/964336300.db2.gz BWAUTWJGGSZAQP-MWLCHTKSSA-N 0 0 281.268 1.248 20 5 CDBDRN CCn1cc(Cl)cc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC001345019839 964536964 /nfs/dbraw/zinc/53/69/64/964536964.db2.gz VIFWXPGFKWQHCK-SSDOTTSWSA-N 0 0 260.677 1.983 20 5 CDBDRN C[S@](=O)c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001345066818 964560264 /nfs/dbraw/zinc/56/02/64/964560264.db2.gz MVWVMGLIMXAJAP-MHNGPXOMSA-N 0 0 268.294 1.028 20 5 CDBDRN O=C([C@@H]1C[C@H]1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001346040690 964895912 /nfs/dbraw/zinc/89/59/12/964895912.db2.gz NPXUFCFIIZGLPK-CHWSQXEVSA-N 0 0 293.298 1.601 20 5 CDBDRN COc1ccc(CC(=O)OC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC001346733496 965229657 /nfs/dbraw/zinc/22/96/57/965229657.db2.gz SJOBTFGHIDCOCE-GFCCVEGCSA-N 0 0 297.307 1.706 20 5 CDBDRN COCC[C@H](C)CNc1c(C)cncc1[N+](=O)[O-] ZINC001348482387 966015871 /nfs/dbraw/zinc/01/58/71/966015871.db2.gz LTDREGKMLYJKHQ-VIFPVBQESA-N 0 0 253.302 1.805 20 5 CDBDRN CCn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001352441262 967281023 /nfs/dbraw/zinc/28/10/23/967281023.db2.gz XJEUKASBRZTAQN-MNOVXSKESA-N 0 0 295.343 1.223 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](COC)C1 ZINC001352451900 967284802 /nfs/dbraw/zinc/28/48/02/967284802.db2.gz GEIPFGGZTHVYMG-QWRGUYRKSA-N 0 0 297.359 1.499 20 5 CDBDRN CCN(OC)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001352868975 967524494 /nfs/dbraw/zinc/52/44/94/967524494.db2.gz 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CFNYBHDTPHEFLT-FBCQKBJTSA-N 0 0 282.174 1.229 20 5 CDBDRN O=[N+]([O-])c1ccsc1N1CC[C@@H](c2nnc[nH]2)C1 ZINC000591830110 342648061 /nfs/dbraw/zinc/64/80/61/342648061.db2.gz IQFQCTBQTGWRRU-SSDOTTSWSA-N 0 0 265.298 1.768 20 5 CDBDRN CC1(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)COC1 ZINC000592349335 342686341 /nfs/dbraw/zinc/68/63/41/342686341.db2.gz UWCSMAQLFIHYIF-UHFFFAOYSA-N 0 0 264.237 1.539 20 5 CDBDRN C[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H]1F ZINC000573238189 361855239 /nfs/dbraw/zinc/85/52/39/361855239.db2.gz SWZMBXVZNQAENJ-GWCFXTLKSA-N 0 0 296.302 1.703 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(C1CC1)C1CC1 ZINC000600358954 342157482 /nfs/dbraw/zinc/15/74/82/342157482.db2.gz ITFKBFWECLYEOW-UHFFFAOYSA-N 0 0 264.285 1.335 20 5 CDBDRN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000593060865 342760917 /nfs/dbraw/zinc/76/09/17/342760917.db2.gz DSYTYBJVXBUAOC-WCQYABFASA-N 0 0 295.339 1.256 20 5 CDBDRN C[C@H]1CC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])O1 ZINC000593171530 342775155 /nfs/dbraw/zinc/77/51/55/342775155.db2.gz LAVXTXDJXSNQKL-CABZTGNLSA-N 0 0 296.298 1.960 20 5 CDBDRN COc1ccc(NC(=O)N(C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593178256 342775579 /nfs/dbraw/zinc/77/55/79/342775579.db2.gz XRIVVSJGKRSNIR-SECBINFHSA-N 0 0 297.311 1.838 20 5 CDBDRN Cc1cc(=O)n(Cc2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000593423029 342800434 /nfs/dbraw/zinc/80/04/34/342800434.db2.gz QFGXSXIYYGXWDG-UHFFFAOYSA-N 0 0 288.307 1.646 20 5 CDBDRN CN(Cc1nc[nH]n1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593480593 342801317 /nfs/dbraw/zinc/80/13/17/342801317.db2.gz SKWQBWWRZDJHIL-UHFFFAOYSA-N 0 0 293.258 1.053 20 5 CDBDRN CCN(CCCO)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593552018 342811229 /nfs/dbraw/zinc/81/12/29/342811229.db2.gz MNOIFACUJSDMRX-UHFFFAOYSA-N 0 0 284.287 1.507 20 5 CDBDRN COc1cc(C[N@H+](C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000573743772 361926442 /nfs/dbraw/zinc/92/64/42/361926442.db2.gz RAETXUJIPVJJDV-UHFFFAOYSA-N 0 0 268.269 1.510 20 5 CDBDRN CCOC(=O)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000600535502 342230371 /nfs/dbraw/zinc/23/03/71/342230371.db2.gz IOCLAVQLOWDVHW-SECBINFHSA-N 0 0 286.309 1.396 20 5 CDBDRN CCN(CCSC)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000594371126 342892211 /nfs/dbraw/zinc/89/22/11/342892211.db2.gz GYTQBOWACJFPDH-UHFFFAOYSA-N 0 0 298.368 1.279 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](OC2CCC2)C1 ZINC000594386762 342893616 /nfs/dbraw/zinc/89/36/16/342893616.db2.gz CSTSPNIBDNJNSJ-JTQLQIEISA-N 0 0 294.311 1.492 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000600656996 342239394 /nfs/dbraw/zinc/23/93/94/342239394.db2.gz GCJCQVMMVLQDHG-AOOOYVTPSA-N 0 0 282.321 1.544 20 5 CDBDRN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])O1 ZINC000600675043 342241361 /nfs/dbraw/zinc/24/13/61/342241361.db2.gz OBXBUEFDBJEVMR-MFKMUULPSA-N 0 0 294.307 1.311 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1CO2 ZINC000600779040 342248769 /nfs/dbraw/zinc/24/87/69/342248769.db2.gz NDOWFYCGENYSKJ-QWRGUYRKSA-N 0 0 276.292 1.825 20 5 CDBDRN CCOC(=O)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C(C)C ZINC000594409986 342901661 /nfs/dbraw/zinc/90/16/61/342901661.db2.gz XEFFATOJZWQQIP-UHFFFAOYSA-N 0 0 298.299 1.122 20 5 CDBDRN Cc1noc(CN(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000594412173 342901737 /nfs/dbraw/zinc/90/17/37/342901737.db2.gz NKFAMYJKDJUURB-UHFFFAOYSA-N 0 0 290.279 1.867 20 5 CDBDRN COc1c(C(=O)N(C[C@H](C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000594413645 342901986 /nfs/dbraw/zinc/90/19/86/342901986.db2.gz AOKTXBKRZVKVBX-VIFPVBQESA-N 0 0 294.307 1.589 20 5 CDBDRN C[C@@H](SCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000600569866 342233118 /nfs/dbraw/zinc/23/31/18/342233118.db2.gz JSHANJSOMCCTCD-MRVPVSSYSA-N 0 0 270.310 1.581 20 5 CDBDRN C[C@@H](Cc1ccccn1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000594593516 342923093 /nfs/dbraw/zinc/92/30/93/342923093.db2.gz CPCIWYFTFREPKU-QMMMGPOBSA-N 0 0 274.284 1.235 20 5 CDBDRN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1COCC[NH2+]1 ZINC000600953809 342257788 /nfs/dbraw/zinc/25/77/88/342257788.db2.gz DVZOQVMBYWJZBB-SNVBAGLBSA-N 0 0 288.307 1.543 20 5 CDBDRN CCc1nn(C)c(N(C)Cc2nc(C)no2)c1[N+](=O)[O-] ZINC000594599962 342929542 /nfs/dbraw/zinc/92/95/42/342929542.db2.gz KVMCQDBNXDANBX-UHFFFAOYSA-N 0 0 280.288 1.219 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)C(F)F ZINC000227286410 140185151 /nfs/dbraw/zinc/18/51/51/140185151.db2.gz PDFPPGUMRPFEPO-LURJTMIESA-N 0 0 267.619 1.681 20 5 CDBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(Cl)c1 ZINC000300417589 349708787 /nfs/dbraw/zinc/70/87/87/349708787.db2.gz IAPPHHLUYHGMRR-NMLBEHRDSA-N 0 0 283.715 1.850 20 5 CDBDRN Cc1nn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(=O)o1 ZINC000594916851 342985539 /nfs/dbraw/zinc/98/55/39/342985539.db2.gz KTGDKLQTBZMHNL-UHFFFAOYSA-N 0 0 293.279 1.888 20 5 CDBDRN Cc1cc(NC[C@H](C)N2CCOCC2)ncc1[N+](=O)[O-] ZINC000074739894 342303613 /nfs/dbraw/zinc/30/36/13/342303613.db2.gz VAPFWGJLNNVWCI-NSHDSACASA-N 0 0 280.328 1.431 20 5 CDBDRN CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000074808633 342306249 /nfs/dbraw/zinc/30/62/49/342306249.db2.gz KOWLWTPWJHKOQV-UHFFFAOYSA-N 0 0 264.281 1.846 20 5 CDBDRN Cc1noc(CN2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595291178 343024921 /nfs/dbraw/zinc/02/49/21/343024921.db2.gz HLLLIXQRUKRMHK-VIFPVBQESA-N 0 0 255.274 1.096 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C(C)C ZINC000126124777 187218480 /nfs/dbraw/zinc/21/84/80/187218480.db2.gz CMPRWLXQWQVCDL-LLVKDONJSA-N 0 0 266.297 1.650 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000595355025 343038148 /nfs/dbraw/zinc/03/81/48/343038148.db2.gz UHUBXDRPCJMLNG-GHMZBOCLSA-N 0 0 296.348 1.934 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N(CCCO)C1CC1 ZINC000404366791 349772123 /nfs/dbraw/zinc/77/21/23/349772123.db2.gz MOWZTUDWFRMEJR-UHFFFAOYSA-N 0 0 271.704 1.994 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000595351025 343046009 /nfs/dbraw/zinc/04/60/09/343046009.db2.gz DVOZYPOGRCTOMU-GHMZBOCLSA-N 0 0 296.348 1.934 20 5 CDBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2C[C@H]2C1 ZINC000595350526 343046047 /nfs/dbraw/zinc/04/60/47/343046047.db2.gz BRWRQXAMXNZOAW-QWRGUYRKSA-N 0 0 296.348 1.934 20 5 CDBDRN Cc1noc(CN2CCC(C)(O)CC2)c1[N+](=O)[O-] ZINC000595344345 343043739 /nfs/dbraw/zinc/04/37/39/343043739.db2.gz MRDVCWPDECKYBY-UHFFFAOYSA-N 0 0 255.274 1.238 20 5 CDBDRN C[C@H](O)C[C@H]1COCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443848 343062898 /nfs/dbraw/zinc/06/28/98/343062898.db2.gz ZUBMTBYTMOZVPG-GWCFXTLKSA-N 0 0 298.314 1.706 20 5 CDBDRN Cc1nc(Sc2ncc([N+](=O)[O-])c(N)n2)oc1C ZINC000076267662 342320286 /nfs/dbraw/zinc/32/02/86/342320286.db2.gz ZZANEJAAGXQCFA-UHFFFAOYSA-N 0 0 267.270 1.723 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595466064 343071050 /nfs/dbraw/zinc/07/10/50/343071050.db2.gz QRJSLCRYMCLFHW-OCCSQVGLSA-N 0 0 293.323 1.614 20 5 CDBDRN Cc1noc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595465928 343071304 /nfs/dbraw/zinc/07/13/04/343071304.db2.gz GKUHSFAIQARFHA-RNCFNFMXSA-N 0 0 297.311 1.271 20 5 CDBDRN C[C@]1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCOC1 ZINC000342913257 362019093 /nfs/dbraw/zinc/01/90/93/362019093.db2.gz SQNBVJYUPNNMRZ-AWEZNQCLSA-N 0 0 289.291 1.985 20 5 CDBDRN C[C@@H](O)C[C@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000077053172 342325042 /nfs/dbraw/zinc/32/50/42/342325042.db2.gz USMSJFJMHRHYJS-JGVFFNPUSA-N 0 0 272.326 1.793 20 5 CDBDRN Cc1noc(CN2C[C@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595549922 343085636 /nfs/dbraw/zinc/08/56/36/343085636.db2.gz GAABKKYCSVNZAE-SCZZXKLOSA-N 0 0 269.301 1.342 20 5 CDBDRN O=C(NCCn1cncn1)Nc1cccc([N+](=O)[O-])c1 ZINC000076553319 342322304 /nfs/dbraw/zinc/32/23/04/342322304.db2.gz GOZWYCIPVVKGLX-UHFFFAOYSA-N 0 0 276.256 1.008 20 5 CDBDRN COCc1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000076798864 342323529 /nfs/dbraw/zinc/32/35/29/342323529.db2.gz HFGMTSQNCBYHCP-UHFFFAOYSA-N 0 0 289.295 1.726 20 5 CDBDRN O=C(Nc1nc[nH]n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342923063 362038762 /nfs/dbraw/zinc/03/87/62/362038762.db2.gz DAMTWBJTQBLLFI-UHFFFAOYSA-N 0 0 272.224 1.447 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ccncc3)CC2)cn1 ZINC000078329687 342335622 /nfs/dbraw/zinc/33/56/22/342335622.db2.gz UZERGJHBEYUGBO-UHFFFAOYSA-N 0 0 299.334 1.707 20 5 CDBDRN Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C)cn1 ZINC000535035624 282227880 /nfs/dbraw/zinc/22/78/80/282227880.db2.gz FXNUKTQBCIALQK-UHFFFAOYSA-N 0 0 289.295 1.254 20 5 CDBDRN Cc1cc(N[C@H]2CCN(C(C)C)C2=O)ncc1[N+](=O)[O-] ZINC000080605510 342357543 /nfs/dbraw/zinc/35/75/43/342357543.db2.gz PWFBRWPBVSGMDL-JTQLQIEISA-N 0 0 278.312 1.719 20 5 CDBDRN Cc1noc(Cn2cnc(C(C)C)cc2=O)c1[N+](=O)[O-] ZINC000596019677 343215124 /nfs/dbraw/zinc/21/51/24/343215124.db2.gz BVFMOGROAICYSG-UHFFFAOYSA-N 0 0 278.268 1.620 20 5 CDBDRN Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000535054800 282233323 /nfs/dbraw/zinc/23/33/23/282233323.db2.gz QJUSFUGGTMSPKO-DIYOJNKTSA-N 0 0 296.327 1.323 20 5 CDBDRN CSCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596053655 343221755 /nfs/dbraw/zinc/22/17/55/343221755.db2.gz PFBWPHHFWGOKBI-UHFFFAOYSA-N 0 0 255.299 1.469 20 5 CDBDRN COc1cc(NCC2(CO)COC2)ccc1[N+](=O)[O-] ZINC000120464471 362119549 /nfs/dbraw/zinc/11/95/49/362119549.db2.gz RYRCLCRHUHWZRM-UHFFFAOYSA-N 0 0 268.269 1.024 20 5 CDBDRN CC1(C)CC[NH2+][C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000595953285 343195289 /nfs/dbraw/zinc/19/52/89/343195289.db2.gz ZLUZAPFCNAIODO-NSHDSACASA-N 0 0 279.296 1.627 20 5 CDBDRN CCOC(=O)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596070873 343225079 /nfs/dbraw/zinc/22/50/79/343225079.db2.gz HSTLLOYPLIFWIK-UHFFFAOYSA-N 0 0 295.295 1.449 20 5 CDBDRN C[C@@H]1C[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596076582 343226189 /nfs/dbraw/zinc/22/61/89/343226189.db2.gz AWAZNCDEYDGDEQ-HTQZYQBOSA-N 0 0 285.325 1.310 20 5 CDBDRN O=C(CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])NC1CC1 ZINC000596076333 343226248 /nfs/dbraw/zinc/22/62/48/343226248.db2.gz PPESNWVIZIYWCA-UHFFFAOYSA-N 0 0 280.284 1.166 20 5 CDBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCCO1 ZINC000596107585 343228845 /nfs/dbraw/zinc/22/88/45/343228845.db2.gz YRPKBUQGIWYMDB-VIFPVBQESA-N 0 0 279.296 1.309 20 5 CDBDRN C[C@@H]1C[C@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596136995 343240666 /nfs/dbraw/zinc/24/06/66/343240666.db2.gz ZLTCWRVQABJGMZ-DTWKUNHWSA-N 0 0 299.352 1.477 20 5 CDBDRN NC(=O)c1cc(N[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000596139008 343241375 /nfs/dbraw/zinc/24/13/75/343241375.db2.gz QOQTWJCHYGQNGY-QMMMGPOBSA-N 0 0 267.310 1.611 20 5 CDBDRN CC[C@@H](O)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596146496 343243625 /nfs/dbraw/zinc/24/36/25/343243625.db2.gz NYAAUUATGOKKBA-SNVBAGLBSA-N 0 0 281.312 1.657 20 5 CDBDRN CCC[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596120864 343248153 /nfs/dbraw/zinc/24/81/53/343248153.db2.gz BOQLOBXJAFWXHU-CYBMUJFWSA-N 0 0 281.312 1.657 20 5 CDBDRN O=C1C[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CN1 ZINC000596184661 343251199 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CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000063069782 520437442 /nfs/dbraw/zinc/43/74/42/520437442.db2.gz USMSGMKGRSFACW-UHFFFAOYSA-N 0 0 293.323 1.915 20 5 CDBDRN CCN(CCC1CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000354595472 520997880 /nfs/dbraw/zinc/99/78/80/520997880.db2.gz MWKFXAOTGHJABY-UHFFFAOYSA-N 0 0 251.290 1.424 20 5 CDBDRN CCOc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000065503109 521388202 /nfs/dbraw/zinc/38/82/02/521388202.db2.gz PGMHKBWPULJSTJ-UHFFFAOYSA-N 0 0 291.267 1.224 20 5 CDBDRN COCC[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000052785552 521996574 /nfs/dbraw/zinc/99/65/74/521996574.db2.gz XBHCCDZCZCJBPY-SNVBAGLBSA-N 0 0 279.252 1.056 20 5 CDBDRN COC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000049198565 522575774 /nfs/dbraw/zinc/57/57/74/522575774.db2.gz BXFHWEHBUKYXFY-SECBINFHSA-N 0 0 282.296 1.616 20 5 CDBDRN CC(C)(C)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000227378874 534647635 /nfs/dbraw/zinc/64/76/35/534647635.db2.gz XRLXNFNFBHXVRA-VIFPVBQESA-N 0 0 269.301 1.450 20 5 CDBDRN CN(CCOc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000081088604 522921444 /nfs/dbraw/zinc/92/14/44/522921444.db2.gz ZZSXGLSYSUXKHP-UHFFFAOYSA-N 0 0 276.296 1.844 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H](C)C1 ZINC000365192040 522972020 /nfs/dbraw/zinc/97/20/20/522972020.db2.gz ONMYSKDRAODKFH-JTQLQIEISA-N 0 0 294.307 1.712 20 5 CDBDRN COC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000049573004 523166537 /nfs/dbraw/zinc/16/65/37/523166537.db2.gz BSTYUHOJJHOBEX-UHFFFAOYSA-N 0 0 266.297 1.978 20 5 CDBDRN CC[C@@]1(C)COCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000340877493 523720988 /nfs/dbraw/zinc/72/09/88/523720988.db2.gz KOTSJIVBTAOFGT-LBPRGKRZSA-N 0 0 268.317 1.292 20 5 CDBDRN CCn1nccc1CN(C)c1c([N+](=O)[O-])c(C)nn1CC ZINC000340928022 523725147 /nfs/dbraw/zinc/72/51/47/523725147.db2.gz PYIRWKOLIYLVOC-UHFFFAOYSA-N 0 0 292.343 1.972 20 5 CDBDRN Cc1cc(C(=O)NC[C@@H]2CCCO2)c(N)c([N+](=O)[O-])c1 ZINC000068509763 524090702 /nfs/dbraw/zinc/09/07/02/524090702.db2.gz 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O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[C@@H]1F ZINC000340811896 526670960 /nfs/dbraw/zinc/67/09/60/526670960.db2.gz GMRVGXSXDCXRAI-VHSXEESVSA-N 0 0 270.264 1.188 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](CCO)C1 ZINC000051894172 526715200 /nfs/dbraw/zinc/71/52/00/526715200.db2.gz FVFKDHIXTCJCOM-JTQLQIEISA-N 0 0 296.298 1.969 20 5 CDBDRN Cc1nc(C)n(Cc2c(F)cccc2[N+](=O)[O-])n1 ZINC000115965621 526764662 /nfs/dbraw/zinc/76/46/62/526764662.db2.gz ITTSZOIRCJXLHM-UHFFFAOYSA-N 0 0 250.233 1.991 20 5 CDBDRN NC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000150812901 527085699 /nfs/dbraw/zinc/08/56/99/527085699.db2.gz PCXKXSQYNHSLPF-UHFFFAOYSA-N 0 0 286.247 1.341 20 5 CDBDRN O=[N+]([O-])c1cc(CN[C@H]2CCCS(=O)(=O)C2)cs1 ZINC000069141763 527330587 /nfs/dbraw/zinc/33/05/87/527330587.db2.gz URCBAZGVMQOGTL-VIFPVBQESA-N 0 0 290.366 1.323 20 5 CDBDRN O=[N+]([O-])c1ccccc1OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000364828783 527404073 /nfs/dbraw/zinc/40/40/73/527404073.db2.gz KKKKPEHOEFTLOS-TXEJJXNPSA-N 0 0 278.308 1.837 20 5 CDBDRN O=[N+]([O-])c1cn(CCOCC(F)F)nc1C1CC1 ZINC000340707407 527408667 /nfs/dbraw/zinc/40/86/67/527408667.db2.gz FRGOGZHUGVRWAE-UHFFFAOYSA-N 0 0 261.228 1.950 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@H]2c2cccnc2)nc1 ZINC000339095701 527411268 /nfs/dbraw/zinc/41/12/68/527411268.db2.gz QLRKINAEULFAGM-NEPJUHHUSA-N 0 0 287.279 1.722 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN2CCc3c2cccc3F)c1 ZINC000184028590 527414662 /nfs/dbraw/zinc/41/46/62/527414662.db2.gz KLSFGMPKSZEGMH-UHFFFAOYSA-N 0 0 276.271 1.993 20 5 CDBDRN O=[N+]([O-])c1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000150871279 527415299 /nfs/dbraw/zinc/41/52/99/527415299.db2.gz XILWMWJTYAJTLU-UHFFFAOYSA-N 0 0 259.265 1.969 20 5 CDBDRN O=c1c([N+](=O)[O-])cccn1Cc1nnsc1Cl ZINC000050445415 527454548 /nfs/dbraw/zinc/45/45/48/527454548.db2.gz TVJXRGRCGCEAFD-UHFFFAOYSA-N 0 0 272.673 1.310 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(Cc2cccnc2)no1 ZINC000340646934 527576771 /nfs/dbraw/zinc/57/67/71/527576771.db2.gz PQKGBOPJISERAA-UHFFFAOYSA-N 0 0 286.251 1.364 20 5 CDBDRN O=C([O-])[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000054523477 527654448 /nfs/dbraw/zinc/65/44/48/527654448.db2.gz CFPITUSGAGCEKE-NSHDSACASA-N 0 0 250.254 1.548 20 5 CDBDRN CCOC[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000193825527 528913905 /nfs/dbraw/zinc/91/39/05/528913905.db2.gz VOBYYGLWOULKSW-SECBINFHSA-N 0 0 259.233 1.510 20 5 CDBDRN CC(C)N1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1=O ZINC000177523207 529070448 /nfs/dbraw/zinc/07/04/48/529070448.db2.gz ZPNCKSDVIHZAGJ-GFCCVEGCSA-N 0 0 264.281 1.983 20 5 CDBDRN CCCN1C[C@@H](CNc2ccc([N+](=O)[O-])cn2)CC1=O ZINC000420649247 534963676 /nfs/dbraw/zinc/96/36/76/534963676.db2.gz FXQULKSODPUFGI-SNVBAGLBSA-N 0 0 278.312 1.082 20 5 CDBDRN CC[C@]1(O)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000428725340 535958223 /nfs/dbraw/zinc/95/82/23/535958223.db2.gz YIWJZCAOFRYDFF-ZDUSSCGKSA-N 0 0 297.286 1.303 20 5 CDBDRN CCc1cnc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000234262794 536055115 /nfs/dbraw/zinc/05/51/15/536055115.db2.gz 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CCC(=O)COC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000727188022 574555025 /nfs/dbraw/zinc/55/50/25/574555025.db2.gz DKKLBTZCNIQPML-UHFFFAOYSA-N 0 0 285.227 1.635 20 5 CDBDRN COc1ccc(CC(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000727882061 574602742 /nfs/dbraw/zinc/60/27/42/574602742.db2.gz CZLGDNNEGVQDSD-NSHDSACASA-N 0 0 295.247 1.005 20 5 CDBDRN CCCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000728154252 574617465 /nfs/dbraw/zinc/61/74/65/574617465.db2.gz DTIFTNIKRLAVTM-UHFFFAOYSA-N 0 0 298.270 1.807 20 5 CDBDRN O=C(OCc1ccccc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000729024106 574702419 /nfs/dbraw/zinc/70/24/19/574702419.db2.gz LPPYVORKLHLJAG-UHFFFAOYSA-N 0 0 281.264 1.180 20 5 CDBDRN CCC(=O)N[C@@H](C)C(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000729068820 574708774 /nfs/dbraw/zinc/70/87/74/574708774.db2.gz AMFPEXGPYUSBJS-VIFPVBQESA-N 0 0 280.280 1.723 20 5 CDBDRN C[C@H](CC[S@](C)=O)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746002174 574855511 /nfs/dbraw/zinc/85/55/11/574855511.db2.gz BIKIEGSDTOKJTH-SBKAZYGRSA-N 0 0 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285.275 1.109 20 5 CDBDRN C[C@H]1OCC[C@H]1Sc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290959202 358795148 /nfs/dbraw/zinc/79/51/48/358795148.db2.gz OCFJLCYAWBHYDJ-HTRCEHHLSA-N 0 0 283.309 1.358 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCO[C@@H]1C ZINC000150056477 358859166 /nfs/dbraw/zinc/85/91/66/358859166.db2.gz DGIJEOJYJUTCCM-RKDXNWHRSA-N 0 0 254.290 1.709 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2CC2)c1C ZINC000119502508 358861258 /nfs/dbraw/zinc/86/12/58/358861258.db2.gz NFFQGFADLWEUCM-UHFFFAOYSA-N 0 0 284.337 1.900 20 5 CDBDRN Cc1nn(C)c(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000332653777 358864574 /nfs/dbraw/zinc/86/45/74/358864574.db2.gz DJMMVGXRBGIOAP-XKSSXDPKSA-N 0 0 280.328 1.753 20 5 CDBDRN C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)O1 ZINC000457453261 366471377 /nfs/dbraw/zinc/47/13/77/366471377.db2.gz TVSGXOZMJBKBMU-JGVFFNPUSA-N 0 0 270.310 1.954 20 5 CDBDRN COC(=O)NC(C)(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000103736407 358930474 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ZINC000302724469 359019247 /nfs/dbraw/zinc/01/92/47/359019247.db2.gz RCROTXUNPJZVFG-JTQLQIEISA-N 0 0 291.311 1.643 20 5 CDBDRN O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1 ZINC000451697709 359071355 /nfs/dbraw/zinc/07/13/55/359071355.db2.gz RIPOPFDWQVFERS-FRRDWIJNSA-N 0 0 294.355 1.274 20 5 CDBDRN Cc1occc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000604339812 359075136 /nfs/dbraw/zinc/07/51/36/359075136.db2.gz GVWVSWHAXUXPDL-UHFFFAOYSA-N 0 0 278.268 1.399 20 5 CDBDRN COC[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342558872 359106187 /nfs/dbraw/zinc/10/61/87/359106187.db2.gz RJHKTSRCBFFPNT-ZETCQYMHSA-N 0 0 278.268 1.112 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccon1 ZINC000338253653 359111279 /nfs/dbraw/zinc/11/12/79/359111279.db2.gz QDYPGYXUYYIEPT-UHFFFAOYSA-N 0 0 275.264 1.484 20 5 CDBDRN O=C(NCC1(c2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000159430871 359113817 /nfs/dbraw/zinc/11/38/17/359113817.db2.gz HJNNJACRPLWELG-UHFFFAOYSA-N 0 0 286.291 1.780 20 5 CDBDRN 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/nfs/dbraw/zinc/26/07/57/359260757.db2.gz RAUBEWYNXAIWAB-UHFFFAOYSA-N 0 0 290.235 1.351 20 5 CDBDRN O=[N+]([O-])c1cnc(NCC2(O)CCCC2)c(F)c1 ZINC000569811947 359263696 /nfs/dbraw/zinc/26/36/96/359263696.db2.gz PJEGBMMIJWUNAU-UHFFFAOYSA-N 0 0 255.249 1.846 20 5 CDBDRN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3CO)cc2N1 ZINC000112965394 359368845 /nfs/dbraw/zinc/36/88/45/359368845.db2.gz PZOYWEJORTWONH-SNVBAGLBSA-N 0 0 291.307 1.441 20 5 CDBDRN C[C@@H]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000339508074 359409113 /nfs/dbraw/zinc/40/91/13/359409113.db2.gz OZUMRBWZMSXGOP-RKDXNWHRSA-N 0 0 266.301 1.494 20 5 CDBDRN COc1ncccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000347741955 359473103 /nfs/dbraw/zinc/47/31/03/359473103.db2.gz BDSCDLFNCGXUBX-UHFFFAOYSA-N 0 0 295.682 1.862 20 5 CDBDRN CC[C@H](C[C@@H](C)CO)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000340278392 359628583 /nfs/dbraw/zinc/62/85/83/359628583.db2.gz NSAYBHGJHGELGZ-RKDXNWHRSA-N 0 0 269.301 1.450 20 5 CDBDRN O=c1c([N+](=O)[O-])cccn1Cc1ncnn1-c1ccccc1 ZINC000347778853 359634757 /nfs/dbraw/zinc/63/47/57/359634757.db2.gz PGYBPAGGNRARCJ-UHFFFAOYSA-N 0 0 297.274 1.386 20 5 CDBDRN C[C@H](N(C)C(=O)c1cccc([N+](=O)[O-])c1N)C(C)(C)O ZINC000297043150 200070419 /nfs/dbraw/zinc/07/04/19/200070419.db2.gz VBFPHPGRKWEZJM-QMMMGPOBSA-N 0 0 281.312 1.408 20 5 CDBDRN O=[N+]([O-])c1cnc(N(CCCCO)C2CC2)nc1 ZINC000354585266 359650342 /nfs/dbraw/zinc/65/03/42/359650342.db2.gz YCLQOVYJSYTXRK-UHFFFAOYSA-N 0 0 252.274 1.126 20 5 CDBDRN COc1ccc(CN[C@]2(C)CCOC2=O)cc1[N+](=O)[O-] ZINC000289661748 359660893 /nfs/dbraw/zinc/66/08/93/359660893.db2.gz UIRCNMVDXYRXOL-CYBMUJFWSA-N 0 0 280.280 1.399 20 5 CDBDRN Cc1cc(F)c(NCC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000297115532 200088691 /nfs/dbraw/zinc/08/86/91/200088691.db2.gz YIJZFMXVSVRGJV-UHFFFAOYSA-N 0 0 267.260 1.733 20 5 CDBDRN COC(=O)Cc1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000297194364 200110210 /nfs/dbraw/zinc/11/02/10/200110210.db2.gz QXWYUMWADCQILA-JTQLQIEISA-N 0 0 296.323 1.517 20 5 CDBDRN CCOC(=O)c1ccnc(NCC(C)(C)CO)c1[N+](=O)[O-] ZINC000135590019 359740181 /nfs/dbraw/zinc/74/01/81/359740181.db2.gz PNJJFKHDUMQXBR-UHFFFAOYSA-N 0 0 297.311 1.597 20 5 CDBDRN O=[N+]([O-])c1ccc(OC2CN(Cc3csnn3)C2)cc1 ZINC000297498352 200211651 /nfs/dbraw/zinc/21/16/51/200211651.db2.gz VXFKEJUENRTEDR-UHFFFAOYSA-N 0 0 292.320 1.710 20 5 CDBDRN Cc1nccn1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000297741137 200272589 /nfs/dbraw/zinc/27/25/89/200272589.db2.gz JTJWOZRIIOGXIT-UHFFFAOYSA-N 0 0 288.307 1.459 20 5 CDBDRN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000351855429 359860273 /nfs/dbraw/zinc/86/02/73/359860273.db2.gz PTQXIUCGSBOYMM-WRWORJQWSA-N 0 0 284.699 1.701 20 5 CDBDRN CCc1ncnc(-n2ccc(=O)c([N+](=O)[O-])c2)c1F ZINC000347879461 359905929 /nfs/dbraw/zinc/90/59/29/359905929.db2.gz PSGAAMKNVSRWFQ-UHFFFAOYSA-N 0 0 264.216 1.237 20 5 CDBDRN COc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ncn1 ZINC000297862428 200294619 /nfs/dbraw/zinc/29/46/19/200294619.db2.gz 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360118680 /nfs/dbraw/zinc/11/86/80/360118680.db2.gz KLZDEBMCXXZXEV-IWSPIJDZSA-N 0 0 266.301 1.872 20 5 CDBDRN Cc1ccc(OCC(=O)N2CCC2)c([N+](=O)[O-])c1 ZINC000298319313 200394636 /nfs/dbraw/zinc/39/46/36/200394636.db2.gz SXBIMNNVZFJTTR-UHFFFAOYSA-N 0 0 250.254 1.514 20 5 CDBDRN C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000270296475 360120841 /nfs/dbraw/zinc/12/08/41/360120841.db2.gz XWVTUKBEVIDLNP-SKDRFNHKSA-N 0 0 291.307 1.441 20 5 CDBDRN C[C@H](CNc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000298282520 200383090 /nfs/dbraw/zinc/38/30/90/200383090.db2.gz GKMLJMOGRNAYQF-LLVKDONJSA-N 0 0 265.313 1.727 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1CCOC2(CCCCC2)C1 ZINC000363498755 360235668 /nfs/dbraw/zinc/23/56/68/360235668.db2.gz IAUCTDGRPOAGLC-UHFFFAOYSA-N 0 0 294.355 1.863 20 5 CDBDRN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000176469009 360325797 /nfs/dbraw/zinc/32/57/97/360325797.db2.gz DZXMGNJIIKDPIZ-VIFPVBQESA-N 0 0 289.295 1.523 20 5 CDBDRN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc([N+](=O)[O-])c[nH]1 ZINC000408284493 360368301 /nfs/dbraw/zinc/36/83/01/360368301.db2.gz ZYPVIBSNEWQUEY-FOGDFJRCSA-N 0 0 279.296 1.610 20 5 CDBDRN Cc1cc(C(=O)N2CC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000177360259 189046257 /nfs/dbraw/zinc/04/62/57/189046257.db2.gz XDIQPWBRLNYXRM-CYBMUJFWSA-N 0 0 264.281 1.500 20 5 CDBDRN Cc1csc([C@H](C)NCc2c([N+](=O)[O-])ncn2C)n1 ZINC000348098459 360396934 /nfs/dbraw/zinc/39/69/34/360396934.db2.gz SSLAWWFGKWBGDN-QMMMGPOBSA-N 0 0 281.341 1.944 20 5 CDBDRN COC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298682837 200502786 /nfs/dbraw/zinc/50/27/86/200502786.db2.gz BMTGNBVMBHGOJV-MRVPVSSYSA-N 0 0 297.267 1.610 20 5 CDBDRN Cc1ccc([C@@H](C)NC(=O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000177871641 189075138 /nfs/dbraw/zinc/07/51/38/189075138.db2.gz YGAGIMQCKPCWPV-LLVKDONJSA-N 0 0 288.307 1.977 20 5 CDBDRN CC[C@H](CCO)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000133742368 219839679 /nfs/dbraw/zinc/83/96/79/219839679.db2.gz DUOIPHXBPSZHDQ-SNVBAGLBSA-N 0 0 282.296 1.494 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C(C)C)n1 ZINC000178151340 189093654 /nfs/dbraw/zinc/09/36/54/189093654.db2.gz DBUGUPUNWXYGOM-UHFFFAOYSA-N 0 0 266.301 1.482 20 5 CDBDRN Cc1ncc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)s1 ZINC000299179378 200632866 /nfs/dbraw/zinc/63/28/66/200632866.db2.gz ZSTKKKYMACDMOG-UHFFFAOYSA-N 0 0 295.324 1.332 20 5 CDBDRN CCOc1cc(NCCNC(=O)OC)ccc1[N+](=O)[O-] ZINC000308329014 360773293 /nfs/dbraw/zinc/77/32/93/360773293.db2.gz JDCBWMFEODPVQF-UHFFFAOYSA-N 0 0 283.284 1.761 20 5 CDBDRN CS(=O)(=O)N1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000049056187 360804994 /nfs/dbraw/zinc/80/49/94/360804994.db2.gz ONMYTVFJHMIUMB-JTQLQIEISA-N 0 0 299.352 1.431 20 5 CDBDRN COc1ccc(C(=O)NC[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000191351791 360896869 /nfs/dbraw/zinc/89/68/69/360896869.db2.gz HJOGBUGSBYGDNG-GXSJLCMTSA-N 0 0 294.307 1.494 20 5 CDBDRN C[C@H](Sc1cn[nH]n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177376901 238293671 /nfs/dbraw/zinc/29/36/71/238293671.db2.gz SWKBBUKQULXXGD-ZETCQYMHSA-N 0 0 293.308 1.832 20 5 CDBDRN COCCCOCC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000179611207 189207266 /nfs/dbraw/zinc/20/72/66/189207266.db2.gz PUACBEBNJMTTLT-UHFFFAOYSA-N 0 0 269.253 1.553 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(OC[C@@H]2CNC(=O)O2)c1 ZINC000299721163 200843550 /nfs/dbraw/zinc/84/35/50/200843550.db2.gz WKECJJMUVSYXDK-QMMMGPOBSA-N 0 0 252.226 1.390 20 5 CDBDRN CCc1ccc(C(=O)NCCCOCCO)cc1[N+](=O)[O-] ZINC000180383918 189252845 /nfs/dbraw/zinc/25/28/45/189252845.db2.gz PFLUUJWLXNTJHQ-UHFFFAOYSA-N 0 0 296.323 1.286 20 5 CDBDRN COc1ccc(C(=O)N[C@@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000345515143 361096904 /nfs/dbraw/zinc/09/69/04/361096904.db2.gz GCJITGNWOHBDCG-JGVFFNPUSA-N 0 0 286.234 1.987 20 5 CDBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC(F)C1 ZINC000345524114 361147047 /nfs/dbraw/zinc/14/70/47/361147047.db2.gz HGYGJNYAKVIIOL-UHFFFAOYSA-N 0 0 264.216 1.265 20 5 CDBDRN Cc1cc(C(=O)NC[C@@H]2CCCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000345551955 361188376 /nfs/dbraw/zinc/18/83/76/361188376.db2.gz UOQDESAFCYCLGL-NSHDSACASA-N 0 0 291.307 1.302 20 5 CDBDRN CNc1nc(C(=O)N[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000455799145 361202243 /nfs/dbraw/zinc/20/22/43/361202243.db2.gz SHRKGAGPOJWROV-SSDOTTSWSA-N 0 0 282.325 1.267 20 5 CDBDRN O=C(N[C@@H]1COc2c1cccc2Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370464482 361227143 /nfs/dbraw/zinc/22/71/43/361227143.db2.gz OFHGUQWRWGKZSJ-SZEHBUNVSA-N 0 0 282.683 1.555 20 5 CDBDRN CCC[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455813072 361229221 /nfs/dbraw/zinc/22/92/21/361229221.db2.gz YRQBEXSFLOJVAM-WPRPVWTQSA-N 0 0 278.312 1.950 20 5 CDBDRN C[C@H](O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000168480335 361236669 /nfs/dbraw/zinc/23/66/69/361236669.db2.gz CNAYYXXJFXCJRZ-DTWKUNHWSA-N 0 0 279.296 1.020 20 5 CDBDRN CC[C@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000035102643 361240045 /nfs/dbraw/zinc/24/00/45/361240045.db2.gz VYEHSYNEOSTCKA-SNVBAGLBSA-N 0 0 252.270 1.024 20 5 CDBDRN Cc1cccc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000191731809 361276399 /nfs/dbraw/zinc/27/63/99/361276399.db2.gz SXPDXCFFRIRINK-GHMZBOCLSA-N 0 0 294.307 1.125 20 5 CDBDRN CCCCOCCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455092354 252381942 /nfs/dbraw/zinc/38/19/42/252381942.db2.gz CSQGXSANHPOHGE-UHFFFAOYSA-N 0 0 296.327 1.578 20 5 CDBDRN C[C@H]1C(=O)N(CCOc2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C ZINC000181673734 189303692 /nfs/dbraw/zinc/30/36/92/189303692.db2.gz PFSHBZPOXJQBEM-AOOOYVTPSA-N 0 0 292.291 1.615 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)CCO ZINC000301456180 201015268 /nfs/dbraw/zinc/01/52/68/201015268.db2.gz RXWHNSDMVWTUOB-UHFFFAOYSA-N 0 0 295.339 1.775 20 5 CDBDRN COC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301498342 201032537 /nfs/dbraw/zinc/03/25/37/201032537.db2.gz CJLFNPGWLRLNGG-UHFFFAOYSA-N 0 0 293.323 1.198 20 5 CDBDRN O=C(NCCCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000182243248 189317888 /nfs/dbraw/zinc/31/78/88/189317888.db2.gz NBHLIVNHKBXZJK-UHFFFAOYSA-N 0 0 266.297 1.877 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NCCCc1nc(=O)[nH][nH]1 ZINC000301539609 201055471 /nfs/dbraw/zinc/05/54/71/201055471.db2.gz MXTCUFPRROEBEV-UHFFFAOYSA-N 0 0 277.284 1.359 20 5 CDBDRN O=[N+]([O-])c1cccnc1N[C@H]1CC[C@@H](CO)CC1 ZINC000301613680 201096513 /nfs/dbraw/zinc/09/65/13/201096513.db2.gz HKACNVNLKOFBFC-AOOOYVTPSA-N 0 0 251.286 1.953 20 5 CDBDRN CON(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000183084818 189345859 /nfs/dbraw/zinc/34/58/59/189345859.db2.gz XSFNXDUDLJZGQS-UHFFFAOYSA-N 0 0 276.296 1.855 20 5 CDBDRN CCOCCNC(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC000183620502 189364055 /nfs/dbraw/zinc/36/40/55/189364055.db2.gz HUBGJMRYHWMGEI-UHFFFAOYSA-N 0 0 293.323 1.110 20 5 CDBDRN O=[N+]([O-])c1cccc2c1CCN2CCCN1CCOCC1 ZINC000183620196 189364104 /nfs/dbraw/zinc/36/41/04/189364104.db2.gz IDGPFEVKMWQAKB-UHFFFAOYSA-N 0 0 291.351 1.680 20 5 CDBDRN CC(C)OCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000183638015 189364601 /nfs/dbraw/zinc/36/46/01/189364601.db2.gz RUUUTDFYJFJAPD-UHFFFAOYSA-N 0 0 297.267 1.658 20 5 CDBDRN O=[N+]([O-])c1cnn(CCNc2ncnc3ccccc32)c1 ZINC000301735361 201165862 /nfs/dbraw/zinc/16/58/62/201165862.db2.gz UVXRJRIJTLYIJD-UHFFFAOYSA-N 0 0 284.279 1.847 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncccn3)C2)nc1 ZINC000301797071 201205392 /nfs/dbraw/zinc/20/53/92/201205392.db2.gz QKACIECMNFAZJM-JTQLQIEISA-N 0 0 286.295 1.471 20 5 CDBDRN Cc1cc(C(=O)N[C@@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000185065919 189402942 /nfs/dbraw/zinc/40/29/42/189402942.db2.gz ZJJNHSXBLLOCKX-UGZDLDLSSA-N 0 0 284.337 1.400 20 5 CDBDRN CCOc1cc(NC2CN(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000301971926 201283876 /nfs/dbraw/zinc/28/38/76/201283876.db2.gz GXHBWOSEHIEWJG-UHFFFAOYSA-N 0 0 295.295 1.856 20 5 CDBDRN CC(=O)N1CC[C@H](CN(C)c2sccc2[N+](=O)[O-])C1 ZINC000301986224 201289384 /nfs/dbraw/zinc/28/93/84/201289384.db2.gz CWHDZGVTPUUZLS-SNVBAGLBSA-N 0 0 283.353 1.961 20 5 CDBDRN Cc1c(-c2cc(Cn3nccc3[N+](=O)[O-])on2)cnn1C ZINC000186011168 189427520 /nfs/dbraw/zinc/42/75/20/189427520.db2.gz NHFKQLBNUDPNKK-UHFFFAOYSA-N 0 0 288.267 1.537 20 5 CDBDRN O=Cc1ccc([N+](=O)[O-])c(Oc2ncc([N+](=O)[O-])cn2)c1 ZINC000302146466 201365129 /nfs/dbraw/zinc/36/51/29/201365129.db2.gz ICMJSXVOOFMJTA-UHFFFAOYSA-N 0 0 290.191 1.898 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@@H](O)c2c(F)cccc2F)nc1 ZINC000302137485 201359303 /nfs/dbraw/zinc/35/93/03/201359303.db2.gz BULJCVCFYKYRBE-SNVBAGLBSA-N 0 0 296.233 1.809 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(C(N)=O)C1 ZINC000302190057 201389181 /nfs/dbraw/zinc/38/91/81/201389181.db2.gz VIHUBOFNZNHWBV-SECBINFHSA-N 0 0 279.300 1.253 20 5 CDBDRN CN(CCNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000302175608 201384297 /nfs/dbraw/zinc/38/42/97/201384297.db2.gz WVGTZYXCVWAQJY-UHFFFAOYSA-N 0 0 273.296 1.933 20 5 CDBDRN Cc1csc(C(C)(C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n1 ZINC000137119861 363856207 /nfs/dbraw/zinc/85/62/07/363856207.db2.gz RJDJLJADKLBZOC-UHFFFAOYSA-N 0 0 295.324 1.748 20 5 CDBDRN C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000581173815 363968736 /nfs/dbraw/zinc/96/87/36/363968736.db2.gz BJIVHAFJQDFBAD-VIFPVBQESA-N 0 0 291.311 1.028 20 5 CDBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[C@@H](F)C1 ZINC000581427937 363986368 /nfs/dbraw/zinc/98/63/68/363986368.db2.gz UKRVTPRAKBIPDY-RKDXNWHRSA-N 0 0 282.275 1.814 20 5 CDBDRN O=C(N[C@H]1CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000456221559 364038559 /nfs/dbraw/zinc/03/85/59/364038559.db2.gz SJIOLJOCDZTBCF-LBPRGKRZSA-N 0 0 276.292 1.894 20 5 CDBDRN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059320 364049469 /nfs/dbraw/zinc/04/94/69/364049469.db2.gz BXJBBOXRZLRDNX-QMMMGPOBSA-N 0 0 283.715 1.682 20 5 CDBDRN Cc1ccc(C(=O)N(C)C(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000295912968 370755858 /nfs/dbraw/zinc/75/58/58/370755858.db2.gz IFBGUIJDCLKPJK-UHFFFAOYSA-N 0 0 279.296 1.239 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncccc1F ZINC000170605149 364243433 /nfs/dbraw/zinc/24/34/33/364243433.db2.gz SUJWHOYKBJMVDS-UHFFFAOYSA-N 0 0 290.254 1.641 20 5 CDBDRN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000189703346 189543418 /nfs/dbraw/zinc/54/34/18/189543418.db2.gz AEALIIBDEBGNMJ-CABZTGNLSA-N 0 0 279.296 1.829 20 5 CDBDRN Cc1nn(C)c(C(=O)N[C@@H](C)CC(C)C)c1[N+](=O)[O-] ZINC000121307322 364286594 /nfs/dbraw/zinc/28/65/94/364286594.db2.gz OFTZCVHRQQAYPG-QMMMGPOBSA-N 0 0 268.317 1.801 20 5 CDBDRN C[C@@H](CNc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000190281587 189559828 /nfs/dbraw/zinc/55/98/28/189559828.db2.gz ZOYIQNJQBCLMGY-VIFPVBQESA-N 0 0 261.285 1.939 20 5 CDBDRN CNc1nc(C(=O)N(C)CC(F)F)ccc1[N+](=O)[O-] ZINC000455437967 252393182 /nfs/dbraw/zinc/39/31/82/252393182.db2.gz DERLJFIWVIUULK-UHFFFAOYSA-N 0 0 274.227 1.369 20 5 CDBDRN Cc1c(C(=O)NC[C@@H]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000191275394 189589878 /nfs/dbraw/zinc/58/98/78/189589878.db2.gz AKPXXYGSOGGLGN-GHMZBOCLSA-N 0 0 278.308 1.794 20 5 CDBDRN C[C@@H]1OCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1C ZINC000361456502 364600535 /nfs/dbraw/zinc/60/05/35/364600535.db2.gz HWNGUAWKNIUCSV-IUCAKERBSA-N 0 0 282.271 1.983 20 5 CDBDRN COC[C@@]1(C)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000192414862 189622190 /nfs/dbraw/zinc/62/21/90/189622190.db2.gz RVXJXSNOSSSVMR-GFCCVEGCSA-N 0 0 279.252 1.056 20 5 CDBDRN CC[C@H](C)[C@@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268543099 364804292 /nfs/dbraw/zinc/80/42/92/364804292.db2.gz BXTNDMXOWNGCOZ-GWCFXTLKSA-N 0 0 280.324 1.661 20 5 CDBDRN CCn1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)cn1 ZINC000456731074 364769536 /nfs/dbraw/zinc/76/95/36/364769536.db2.gz MTDCEWJHNMTHGM-SSDOTTSWSA-N 0 0 278.272 1.025 20 5 CDBDRN CC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000268468031 364778741 /nfs/dbraw/zinc/77/87/41/364778741.db2.gz HDWLNXNPSPPEES-ZETCQYMHSA-N 0 0 287.703 1.325 20 5 CDBDRN O=C(NC1CC1)c1ccc(NCCCCO)c([N+](=O)[O-])c1 ZINC000192802599 189628700 /nfs/dbraw/zinc/62/87/00/189628700.db2.gz WDHNMFZFTPDYBG-UHFFFAOYSA-N 0 0 293.323 1.671 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)CO)cc1Cl ZINC000165413591 364861343 /nfs/dbraw/zinc/86/13/43/364861343.db2.gz YAPNMMOJDAONDP-ZCFIWIBFSA-N 0 0 288.687 1.828 20 5 CDBDRN CNc1ccc(C(=O)N2CCO[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000573084901 364949706 /nfs/dbraw/zinc/94/97/06/364949706.db2.gz DFSHUWOOVBYTKC-JTQLQIEISA-N 0 0 297.286 1.447 20 5 CDBDRN CC[C@@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000112334498 364968530 /nfs/dbraw/zinc/96/85/30/364968530.db2.gz ZCKYOUSHLOBQLP-NOZJJQNGSA-N 0 0 295.339 1.773 20 5 CDBDRN CCOC(=O)[C@@H](CC)SCCn1ccc([N+](=O)[O-])n1 ZINC000194542025 189663203 /nfs/dbraw/zinc/66/32/03/189663203.db2.gz WEUGPNDQORLURJ-SECBINFHSA-N 0 0 287.341 1.866 20 5 CDBDRN COC(=O)CCC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000195439251 189676278 /nfs/dbraw/zinc/67/62/78/189676278.db2.gz VQWDHJVEBNTBQU-UHFFFAOYSA-N 0 0 285.227 1.635 20 5 CDBDRN CCOC(=O)CN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000212233915 189689085 /nfs/dbraw/zinc/68/90/85/189689085.db2.gz NPDLSURJOPATPB-UHFFFAOYSA-N 0 0 253.258 1.298 20 5 CDBDRN COc1cc(OCc2noc(CN)n2)ccc1[N+](=O)[O-] ZINC000573114487 365179376 /nfs/dbraw/zinc/17/93/76/365179376.db2.gz FDSIGMMUSCVWLA-UHFFFAOYSA-N 0 0 280.240 1.024 20 5 CDBDRN CCOC(=O)c1ccnc(N2CC(O)(CC)C2)c1[N+](=O)[O-] ZINC000275372813 193013672 /nfs/dbraw/zinc/01/36/72/193013672.db2.gz NVJIWZMZZQWWQO-UHFFFAOYSA-N 0 0 295.295 1.128 20 5 CDBDRN CC[C@H](O)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000268655592 365273213 /nfs/dbraw/zinc/27/32/13/365273213.db2.gz CASUMBPBZGKBNS-NSHDSACASA-N 0 0 298.343 1.075 20 5 CDBDRN Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)ncc1[N+](=O)[O-] ZINC000413526990 240742150 /nfs/dbraw/zinc/74/21/50/240742150.db2.gz DCDSALDTQFLQCG-VWYCJHECSA-N 0 0 265.313 1.946 20 5 CDBDRN Cc1nc(NC[C@@H]2C[C@H](C)O[C@H]2C)ncc1[N+](=O)[O-] ZINC000413542294 240750570 /nfs/dbraw/zinc/75/05/70/240750570.db2.gz WTTDRHBQPWDNDV-HGNGGELXSA-N 0 0 266.301 1.341 20 5 CDBDRN 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/nfs/dbraw/zinc/83/11/56/372831156.db2.gz CGXVQFISJXPTHK-UHFFFAOYSA-N 0 0 290.279 1.898 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000572988077 294732309 /nfs/dbraw/zinc/73/23/09/294732309.db2.gz FUKOHRNDZAOVEK-WDEREUQCSA-N 0 0 264.281 1.810 20 5 CDBDRN CC(C)[C@H]1N(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1(C)C ZINC000293798086 372839711 /nfs/dbraw/zinc/83/97/11/372839711.db2.gz GCFRYDIEGBCPLR-SNVBAGLBSA-N 0 0 266.301 1.825 20 5 CDBDRN CCC(CC)(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)OC ZINC000293807418 372909655 /nfs/dbraw/zinc/90/96/55/372909655.db2.gz YROOPLBJPVXYNN-UHFFFAOYSA-N 0 0 297.311 1.630 20 5 CDBDRN COC(=O)[C@H](C)SCc1c([N+](=O)[O-])ncn1C ZINC000356543303 372938443 /nfs/dbraw/zinc/93/84/43/372938443.db2.gz AMROVKKNGIQTGP-LURJTMIESA-N 0 0 259.287 1.123 20 5 CDBDRN CCOC(=O)[C@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000356564216 372947550 /nfs/dbraw/zinc/94/75/50/372947550.db2.gz JCBNOCGZJUZFBX-QMMMGPOBSA-N 0 0 253.258 1.378 20 5 CDBDRN CC[C@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356724475 373034036 /nfs/dbraw/zinc/03/40/36/373034036.db2.gz CFEOVXUARDRLSH-QMMMGPOBSA-N 0 0 254.290 1.446 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000356736236 373040621 /nfs/dbraw/zinc/04/06/21/373040621.db2.gz KINKCXXSTZSRKQ-MWLCHTKSSA-N 0 0 294.311 1.016 20 5 CDBDRN CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000301273827 373170608 /nfs/dbraw/zinc/17/06/08/373170608.db2.gz IAFONHPTAZVJPY-UHFFFAOYSA-N 0 0 269.276 1.696 20 5 CDBDRN COCCOCCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000063285700 373261649 /nfs/dbraw/zinc/26/16/49/373261649.db2.gz CBHLSVAARZIBCA-UHFFFAOYSA-N 0 0 294.307 1.537 20 5 CDBDRN CC(C)NC(=O)CCNc1ncc([N+](=O)[O-])s1 ZINC000189689577 373293674 /nfs/dbraw/zinc/29/36/74/373293674.db2.gz KOJSYBJFQYTZTF-UHFFFAOYSA-N 0 0 258.303 1.378 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000347071071 373281536 /nfs/dbraw/zinc/28/15/36/373281536.db2.gz DMWBERBCAUORLB-GWCFXTLKSA-N 0 0 293.323 1.986 20 5 CDBDRN COc1cc(N2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301380904 373513332 /nfs/dbraw/zinc/51/33/32/373513332.db2.gz ZDBPMTZTCSVYGY-SECBINFHSA-N 0 0 252.270 1.829 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000298367210 373514755 /nfs/dbraw/zinc/51/47/55/373514755.db2.gz LVBAOESGUXMVHJ-OIBJUYFYSA-N 0 0 294.263 1.037 20 5 CDBDRN CC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277689939 193732272 /nfs/dbraw/zinc/73/22/72/193732272.db2.gz ZIKUUSUBMIYYIO-SECBINFHSA-N 0 0 282.296 1.758 20 5 CDBDRN CCn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cn1 ZINC000192922079 373638366 /nfs/dbraw/zinc/63/83/66/373638366.db2.gz BOUMMVALEQJAAW-UHFFFAOYSA-N 0 0 277.240 1.164 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCn1cncn1 ZINC000192909484 373638988 /nfs/dbraw/zinc/63/89/88/373638988.db2.gz MNMHMECAIGOEIP-UHFFFAOYSA-N 0 0 289.295 1.832 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](OCCOC)C1 ZINC000192844236 373646842 /nfs/dbraw/zinc/64/68/42/373646842.db2.gz VXZOJWIWNGQDJD-NSHDSACASA-N 0 0 298.343 1.361 20 5 CDBDRN CC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000289559966 197402964 /nfs/dbraw/zinc/40/29/64/197402964.db2.gz OWHHAAIIGCCMFD-SECBINFHSA-N 0 0 288.325 1.298 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[C@@H](O)C1 ZINC000123007635 373746073 /nfs/dbraw/zinc/74/60/73/373746073.db2.gz SAMMLZTUQHLBCO-DGCLKSJQSA-N 0 0 292.335 1.805 20 5 CDBDRN CN(CC(=O)NC[C@@H]1CC12CC2)c1ccccc1[N+](=O)[O-] ZINC000416066252 374041656 /nfs/dbraw/zinc/04/16/56/374041656.db2.gz HPVMMSQHGOMGFD-NSHDSACASA-N 0 0 289.335 1.947 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC12CC2 ZINC000416072323 374066522 /nfs/dbraw/zinc/06/65/22/374066522.db2.gz MUHOYBRBIOLICL-SECBINFHSA-N 0 0 264.285 1.098 20 5 CDBDRN Cc1nc(NC[C@@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000161528686 374141143 /nfs/dbraw/zinc/14/11/43/374141143.db2.gz NHUJWCHKVJHYPI-SECBINFHSA-N 0 0 253.258 1.126 20 5 CDBDRN CC[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269742683 374209666 /nfs/dbraw/zinc/20/96/66/374209666.db2.gz WGCFRGARKVLFLU-GHMZBOCLSA-N 0 0 295.339 1.697 20 5 CDBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)F ZINC000312187712 374280486 /nfs/dbraw/zinc/28/04/86/374280486.db2.gz SSMVFJGXSUZMRL-OMMCCPJFSA-N 0 0 286.234 1.350 20 5 CDBDRN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC12CC2 ZINC000418982048 374272785 /nfs/dbraw/zinc/27/27/85/374272785.db2.gz AQLYQEZVQCXOSX-ZETCQYMHSA-N 0 0 262.269 1.301 20 5 CDBDRN Cc1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000113145680 374243555 /nfs/dbraw/zinc/24/35/55/374243555.db2.gz LUEIFWATQDCHOA-SNVBAGLBSA-N 0 0 291.307 1.241 20 5 CDBDRN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000077118411 374247649 /nfs/dbraw/zinc/24/76/49/374247649.db2.gz WROCPABOAQMZKB-MNOVXSKESA-N 0 0 296.323 1.497 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](NC(C)=O)C1 ZINC000420951065 374308076 /nfs/dbraw/zinc/30/80/76/374308076.db2.gz GWOPJZHJJVLEBW-LBPRGKRZSA-N 0 0 293.323 1.314 20 5 CDBDRN COC(=O)[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301794737 374281499 /nfs/dbraw/zinc/28/14/99/374281499.db2.gz SRNXIZDRYXUCRH-ZDUSSCGKSA-N 0 0 294.307 1.345 20 5 CDBDRN COC(=O)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421738434 374327886 /nfs/dbraw/zinc/32/78/86/374327886.db2.gz SNCZXHJSESZLRE-UHFFFAOYSA-N 0 0 266.253 1.114 20 5 CDBDRN CC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000421919075 374342446 /nfs/dbraw/zinc/34/24/46/374342446.db2.gz QINCQDFKNUFHTO-MRVPVSSYSA-N 0 0 266.301 1.807 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](CC)O1 ZINC000421981114 374346099 /nfs/dbraw/zinc/34/60/99/374346099.db2.gz PEICKUBPAPGECK-NXEZZACHSA-N 0 0 296.327 1.358 20 5 CDBDRN COCCOC[C@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000296145187 374377627 /nfs/dbraw/zinc/37/76/27/374377627.db2.gz MLGQGSQQRGPDND-LBPRGKRZSA-N 0 0 299.323 1.614 20 5 CDBDRN COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000116284146 374463566 /nfs/dbraw/zinc/46/35/66/374463566.db2.gz HJVPPLKEIWQDPJ-OLZOCXBDSA-N 0 0 294.307 1.357 20 5 CDBDRN CSc1ccc(C(=O)NCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000080115814 374446184 /nfs/dbraw/zinc/44/61/84/374446184.db2.gz ADIHZLKYFKVGNQ-QMMMGPOBSA-N 0 0 284.337 1.817 20 5 CDBDRN CC(C)(NC(=O)Cn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000116142657 374455594 /nfs/dbraw/zinc/45/55/94/374455594.db2.gz XIHZFVYPKPOIQO-UHFFFAOYSA-N 0 0 295.324 1.299 20 5 CDBDRN CN(CCOc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000081089753 374492518 /nfs/dbraw/zinc/49/25/18/374492518.db2.gz HVLUBRCHBHXDRC-UHFFFAOYSA-N 0 0 276.296 1.844 20 5 CDBDRN CN(Cc1nc[nH]n1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000080522500 374469864 /nfs/dbraw/zinc/46/98/64/374469864.db2.gz HLKFXPSXONGCOH-UHFFFAOYSA-N 0 0 267.270 1.047 20 5 CDBDRN COCC1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000531726550 374506007 /nfs/dbraw/zinc/50/60/07/374506007.db2.gz GJYRCMCFLOKDII-UHFFFAOYSA-N 0 0 289.291 1.985 20 5 CDBDRN CC[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000081567831 374521709 /nfs/dbraw/zinc/52/17/09/374521709.db2.gz LKJZJFAMWPDNPL-VIFPVBQESA-N 0 0 272.326 1.813 20 5 CDBDRN CCc1cnc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)s1 ZINC000081231659 374496717 /nfs/dbraw/zinc/49/67/17/374496717.db2.gz QOAGCTSBJIEVGL-UHFFFAOYSA-N 0 0 295.324 1.757 20 5 CDBDRN CS(=O)(=O)c1nccn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000081272702 374498239 /nfs/dbraw/zinc/49/82/39/374498239.db2.gz PGBSAXVOBSPUCJ-UHFFFAOYSA-N 0 0 299.283 1.382 20 5 CDBDRN CN(CCO)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000037860734 374535319 /nfs/dbraw/zinc/53/53/19/374535319.db2.gz OQEUQHXLXUWFNY-QPJJXVBHSA-N 0 0 250.254 1.059 20 5 CDBDRN CC(C)(CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589172 374526687 /nfs/dbraw/zinc/52/66/87/374526687.db2.gz ZRRBUZCWJRFIDI-UHFFFAOYSA-N 0 0 262.269 1.721 20 5 CDBDRN COc1cc(CN2CCCOCC2)c([N+](=O)[O-])cc1OC ZINC000376503947 374561675 /nfs/dbraw/zinc/56/16/75/374561675.db2.gz FEXGJAVOFTUZJO-UHFFFAOYSA-N 0 0 296.323 1.834 20 5 CDBDRN CC(C)[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299249331 374601369 /nfs/dbraw/zinc/60/13/69/374601369.db2.gz QVPWPBMKNPSJRT-GFCCVEGCSA-N 0 0 280.328 1.828 20 5 CDBDRN Cc1c(CS(=O)(=O)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000424207840 246386667 /nfs/dbraw/zinc/38/66/67/246386667.db2.gz PDYFJIGGNRKNSU-NSHDSACASA-N 0 0 285.321 1.607 20 5 CDBDRN COC[C@@H](O)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118008484 374619009 /nfs/dbraw/zinc/61/90/09/374619009.db2.gz ZYXORPZWUZTXBM-VIFPVBQESA-N 0 0 283.284 1.032 20 5 CDBDRN CC(C)NC(=O)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000275308926 374695434 /nfs/dbraw/zinc/69/54/34/374695434.db2.gz BVXIBVFRZFAMDI-UHFFFAOYSA-N 0 0 292.339 1.889 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1ncc[nH]1 ZINC000378514967 374647501 /nfs/dbraw/zinc/64/75/01/374647501.db2.gz CQMPWJFTRLZXLG-QMMMGPOBSA-N 0 0 276.252 1.888 20 5 CDBDRN O=C(NCCn1cncn1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347236218 374663489 /nfs/dbraw/zinc/66/34/89/374663489.db2.gz QFYFEIKMVZKBHB-UHFFFAOYSA-N 0 0 294.246 1.147 20 5 CDBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1(O)CCC1 ZINC000274801419 374684668 /nfs/dbraw/zinc/68/46/68/374684668.db2.gz NFKKBXCXGXTGSM-UHFFFAOYSA-N 0 0 284.699 1.779 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000276879254 374756632 /nfs/dbraw/zinc/75/66/32/374756632.db2.gz ADQKJPRUSMJBNB-AOOOYVTPSA-N 0 0 294.307 1.853 20 5 CDBDRN CCc1nn(C)c(NCCCn2cccn2)c1[N+](=O)[O-] ZINC000092828315 374703468 /nfs/dbraw/zinc/70/34/68/374703468.db2.gz VBEVHLUOCAPDLB-UHFFFAOYSA-N 0 0 278.316 1.589 20 5 CDBDRN COC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000276059237 374707254 /nfs/dbraw/zinc/70/72/54/374707254.db2.gz RLZGGTZZKGDJOG-GWCFXTLKSA-N 0 0 266.297 1.835 20 5 CDBDRN Cc1cc(N[C@@H](CO)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000447808841 374711207 /nfs/dbraw/zinc/71/12/07/374711207.db2.gz WRTOOAPKWQMUMM-AAEUAGOBSA-N 0 0 266.297 1.855 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CC(C)(COC)C2)c1[N+](=O)[O-] ZINC000447828781 374715542 /nfs/dbraw/zinc/71/55/42/374715542.db2.gz 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/nfs/dbraw/zinc/83/09/14/374830914.db2.gz LGWUPNZVRFOKMB-ZDUSSCGKSA-N 0 0 296.327 1.096 20 5 CDBDRN CCOCC[C@@H](O)COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000277459083 374788436 /nfs/dbraw/zinc/78/84/36/374788436.db2.gz IRBLWUIVQJFVRR-GFCCVEGCSA-N 0 0 297.307 1.964 20 5 CDBDRN COc1ccc(C(=O)N2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330983377 374877711 /nfs/dbraw/zinc/87/77/11/374877711.db2.gz FNIREAVQUQZWNH-PSASIEDQSA-N 0 0 280.280 1.199 20 5 CDBDRN CC[C@@H]1CO[C@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000331016707 374881423 /nfs/dbraw/zinc/88/14/23/374881423.db2.gz VGDNSOHMCMZGGF-GHMZBOCLSA-N 0 0 268.317 1.291 20 5 CDBDRN Cc1cnc(NCc2ccc(C(N)=O)nc2)c([N+](=O)[O-])c1 ZINC000441786259 374893354 /nfs/dbraw/zinc/89/33/54/374893354.db2.gz HDODOUDNTLUNBV-UHFFFAOYSA-N 0 0 287.279 1.404 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N[C@H]2CC(=O)N(C)C2)c1 ZINC000278661760 374849010 /nfs/dbraw/zinc/84/90/10/374849010.db2.gz BBRHYTOLSRXZQV-QMMMGPOBSA-N 0 0 265.269 1.246 20 5 CDBDRN 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CCc1n[nH]c(C(=O)NC[C@@](C)(CC)OC)c1[N+](=O)[O-] ZINC000452735944 252155730 /nfs/dbraw/zinc/15/57/30/252155730.db2.gz ZRIOGWNUUFPUQP-GFCCVEGCSA-N 0 0 284.316 1.425 20 5 CDBDRN COc1ccc(C(=O)N2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000037896119 184544241 /nfs/dbraw/zinc/54/42/41/184544241.db2.gz WANFXTXJBMMLLR-UHFFFAOYSA-N 0 0 294.307 1.448 20 5 CDBDRN CCN(CCOC)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050037856 284976261 /nfs/dbraw/zinc/97/62/61/284976261.db2.gz MJKMZKRJDRXIPO-UHFFFAOYSA-N 0 0 288.250 1.982 20 5 CDBDRN Cc1n[nH]c(C(=O)NC[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000452861010 252192568 /nfs/dbraw/zinc/19/25/68/252192568.db2.gz YPSCDCINKDYNRE-ZETCQYMHSA-N 0 0 288.254 1.792 20 5 CDBDRN O=C(NCc1nncn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000106411965 139705380 /nfs/dbraw/zinc/70/53/80/139705380.db2.gz SJPVCEADNDKNJL-UHFFFAOYSA-N 0 0 287.279 1.451 20 5 CDBDRN COc1cc(CNCCF)c([N+](=O)[O-])cc1OC ZINC000280613206 194902260 /nfs/dbraw/zinc/90/22/60/194902260.db2.gz DTJVNTFAUPUTNO-UHFFFAOYSA-N 0 0 258.249 1.671 20 5 CDBDRN O=C1C[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]2CCCCN12 ZINC000370285189 296348202 /nfs/dbraw/zinc/34/82/02/296348202.db2.gz KIMXJMUZIXQEHH-WDEREUQCSA-N 0 0 276.296 1.555 20 5 CDBDRN Cc1ccc(NC[C@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000280925130 195032380 /nfs/dbraw/zinc/03/23/80/195032380.db2.gz IOVHPCHKXUYBBO-NWDGAFQWSA-N 0 0 280.324 1.960 20 5 CDBDRN CO[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000471762199 252827394 /nfs/dbraw/zinc/82/73/94/252827394.db2.gz WJRVBFXZEVIZFT-GFCCVEGCSA-N 0 0 266.297 1.882 20 5 CDBDRN Cc1cc(NCCNc2ncc([N+](=O)[O-])cc2C)n(C)n1 ZINC000281058177 195086272 /nfs/dbraw/zinc/08/62/72/195086272.db2.gz YGGTWDYQVYRBTP-UHFFFAOYSA-N 0 0 290.327 1.864 20 5 CDBDRN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000491030589 253059469 /nfs/dbraw/zinc/05/94/69/253059469.db2.gz BOTBJHPKBPSACX-SECBINFHSA-N 0 0 294.336 1.773 20 5 CDBDRN CC(C)(C)OC(=O)NCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000490867953 253052130 /nfs/dbraw/zinc/05/21/30/253052130.db2.gz QYCFIOCRKBTBQP-UHFFFAOYSA-N 0 0 298.299 1.177 20 5 CDBDRN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CCOCC1 ZINC000491447695 253082104 /nfs/dbraw/zinc/08/21/04/253082104.db2.gz DPXWWTCXOBTVBJ-PLNGDYQASA-N 0 0 276.292 1.903 20 5 CDBDRN Cc1nc(NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000491490309 253084931 /nfs/dbraw/zinc/08/49/31/253084931.db2.gz AIWLTBPFHNKLGE-HYXAFXHYSA-N 0 0 291.242 1.812 20 5 CDBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCn1cncn1 ZINC000491531708 253088276 /nfs/dbraw/zinc/08/82/76/253088276.db2.gz IEQRKAPNSWCNBE-UTCJRWHESA-N 0 0 287.279 1.016 20 5 CDBDRN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](O)C1 ZINC000492054943 253147432 /nfs/dbraw/zinc/14/74/32/253147432.db2.gz AQODQEPYGSDXIV-CJHWANRJSA-N 0 0 280.255 1.340 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCn2cnnc2C1 ZINC000153725629 285092498 /nfs/dbraw/zinc/09/24/98/285092498.db2.gz WDDXWIITWDALCW-UHFFFAOYSA-N 0 0 280.675 1.255 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1N1CCN([C@@H]2CCOC2)CC1 ZINC000372925676 285096068 /nfs/dbraw/zinc/09/60/68/285096068.db2.gz HYLVYYOTAIPSSO-GFCCVEGCSA-N 0 0 295.314 1.645 20 5 CDBDRN Cc1cc(=NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[nH]n1C ZINC000492205155 253175041 /nfs/dbraw/zinc/17/50/41/253175041.db2.gz STIKNGXLFUNKDM-YVMONPNESA-N 0 0 286.291 1.711 20 5 CDBDRN Cc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1C ZINC000492428771 253217061 /nfs/dbraw/zinc/21/70/61/253217061.db2.gz TUGYCLFPGGDEPN-VMPITWQZSA-N 0 0 287.279 1.684 20 5 CDBDRN COCCOCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000192575242 533053522 /nfs/dbraw/zinc/05/35/22/533053522.db2.gz MWBNCHGVIAECQU-UHFFFAOYSA-N 0 0 282.296 1.813 20 5 CDBDRN COC[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)OC ZINC000492494624 253231693 /nfs/dbraw/zinc/23/16/93/253231693.db2.gz RJGHKKAMVOFFLO-FWWRYZNZSA-N 0 0 294.307 1.386 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000492564752 253246146 /nfs/dbraw/zinc/24/61/46/253246146.db2.gz VYUSYFYIELTFPO-QMMMGPOBSA-N 0 0 282.300 1.016 20 5 CDBDRN Cc1ccc(/C=C\C(=O)Nc2c([N+](=O)[O-])cnn2C)o1 ZINC000492651999 253264998 /nfs/dbraw/zinc/26/49/98/253264998.db2.gz SXHPVISQIAXMJW-WAYWQWQTSA-N 0 0 276.252 1.882 20 5 CDBDRN Cc1ncsc1Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000289416924 197337245 /nfs/dbraw/zinc/33/72/45/197337245.db2.gz QBBZYIDATDLMQH-UHFFFAOYSA-N 0 0 265.294 1.878 20 5 CDBDRN C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000492881223 253315731 /nfs/dbraw/zinc/31/57/31/253315731.db2.gz PLDPYGGYZICQIE-SZPLZVFMSA-N 0 0 290.275 1.428 20 5 CDBDRN Cn1cnc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000492896420 253319775 /nfs/dbraw/zinc/31/97/75/253319775.db2.gz QKBUYBRIBZPIKB-HYXAFXHYSA-N 0 0 291.242 1.514 20 5 CDBDRN CN(C(=O)/C=C/c1ccncn1)c1ccc([N+](=O)[O-])nc1 ZINC000492997605 253343803 /nfs/dbraw/zinc/34/38/03/253343803.db2.gz XDGBRYIAOKMCSC-GORDUTHDSA-N 0 0 285.263 1.456 20 5 CDBDRN O=C(/C=C/[C@H]1CCOC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000492967205 253336787 /nfs/dbraw/zinc/33/67/87/253336787.db2.gz YAIAXNYBBKJVFO-YIALFULDSA-N 0 0 290.319 1.846 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ncc[nH]3)CC2)nc1 ZINC000111214220 285125598 /nfs/dbraw/zinc/12/55/98/285125598.db2.gz OCNMDFZRKRRJCM-UHFFFAOYSA-N 0 0 288.311 1.035 20 5 CDBDRN CO[C@@H]1COC[C@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493189863 253394538 /nfs/dbraw/zinc/39/45/38/253394538.db2.gz RNEMXCYGDDXTNA-GGCNOCFKSA-N 0 0 292.291 1.138 20 5 CDBDRN Cc1cnc(N2CCN3C(=O)OCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000494034207 253591898 /nfs/dbraw/zinc/59/18/98/253591898.db2.gz QEYIWAWAYRZKET-JTQLQIEISA-N 0 0 292.295 1.329 20 5 CDBDRN C[C@H]1OC(=O)N[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000497058843 254008543 /nfs/dbraw/zinc/00/85/43/254008543.db2.gz RNZFKISFVKGWPM-XRGYYRRGSA-N 0 0 286.265 1.196 20 5 CDBDRN O=[N+]([O-])c1cccnc1N[C@H]1CCn2ccnc2C1 ZINC000489921430 285166925 /nfs/dbraw/zinc/16/69/25/285166925.db2.gz JREMOJAUKNQQSY-VIFPVBQESA-N 0 0 259.269 1.613 20 5 CDBDRN CCOC(=O)NCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000497284730 254055465 /nfs/dbraw/zinc/05/54/65/254055465.db2.gz QGWXHJBBHDLMTB-UHFFFAOYSA-N 0 0 282.252 1.384 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCCO[C@@H](C)C1 ZINC000288974633 197203962 /nfs/dbraw/zinc/20/39/62/197203962.db2.gz UVWIGQGRVQOAOP-VIFPVBQESA-N 0 0 268.317 1.735 20 5 CDBDRN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505207799 254084168 /nfs/dbraw/zinc/08/41/68/254084168.db2.gz WAQQOEBMHWHORR-UHFFFAOYSA-N 0 0 289.207 1.417 20 5 CDBDRN CN(C)c1ncccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000507502353 254102300 /nfs/dbraw/zinc/10/23/00/254102300.db2.gz RKSPSUNVOALEEB-UHFFFAOYSA-N 0 0 276.256 1.031 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](n3cccn3)C2)nc1 ZINC000292457287 285176281 /nfs/dbraw/zinc/17/62/81/285176281.db2.gz XLKFVECOTDQIQJ-SECBINFHSA-N 0 0 260.257 1.033 20 5 CDBDRN CCc1nn(C)c(NCc2nncn2C(C)C)c1[N+](=O)[O-] ZINC000288821887 197172349 /nfs/dbraw/zinc/17/23/49/197172349.db2.gz IFVWUAOZENXEOW-UHFFFAOYSA-N 0 0 293.331 1.675 20 5 CDBDRN C[C@H]1OCCC[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000288769598 197161672 /nfs/dbraw/zinc/16/16/72/197161672.db2.gz JMZGOSJXUMAGNI-MWLCHTKSSA-N 0 0 279.296 1.768 20 5 CDBDRN CC(C)NC(=O)OC1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000288676643 197143420 /nfs/dbraw/zinc/14/34/20/197143420.db2.gz ZPAOMFZZNNPQPY-UHFFFAOYSA-N 0 0 279.296 1.918 20 5 CDBDRN COC(=O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000157991000 533140164 /nfs/dbraw/zinc/14/01/64/533140164.db2.gz USLOSEQDQJYRHL-UHFFFAOYSA-N 0 0 294.307 1.832 20 5 CDBDRN Cc1sc(C(=O)N(C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000288302842 197047177 /nfs/dbraw/zinc/04/71/77/197047177.db2.gz HDYZQVPFPOCJEK-PSASIEDQSA-N 0 0 284.337 1.950 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCCS(=O)(=O)C2)s1 ZINC000288171301 197018519 /nfs/dbraw/zinc/01/85/19/197018519.db2.gz DKOSDZOLZJHRLI-SSDOTTSWSA-N 0 0 291.354 1.288 20 5 CDBDRN CC(C)[C@@](C)(NC(=O)Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000288082528 197000468 /nfs/dbraw/zinc/00/04/68/197000468.db2.gz VYIFUEDJVLYHJF-CQSZACIVSA-N 0 0 293.323 1.154 20 5 CDBDRN COC(=O)[C@H](C)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000281210849 195151423 /nfs/dbraw/zinc/15/14/23/195151423.db2.gz NQUFVMJMWUAUEK-ZETCQYMHSA-N 0 0 284.243 1.367 20 5 CDBDRN C[C@H](O)[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000168070351 292865339 /nfs/dbraw/zinc/86/53/39/292865339.db2.gz RSZCQUOHOFJBDH-LRLQIDNFSA-N 0 0 290.319 1.837 20 5 CDBDRN O=C(CC1OCCCO1)NCCc1cccc([N+](=O)[O-])c1 ZINC000281268182 195172908 /nfs/dbraw/zinc/17/29/08/195172908.db2.gz RAYNWMVHDZXFOW-UHFFFAOYSA-N 0 0 294.307 1.407 20 5 CDBDRN COC[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287364463 196841687 /nfs/dbraw/zinc/84/16/87/196841687.db2.gz QCQCZACSFYUHIG-VIFPVBQESA-N 0 0 251.286 1.650 20 5 CDBDRN COC[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287364462 196841250 /nfs/dbraw/zinc/84/12/50/196841250.db2.gz QCQCZACSFYUHIG-SECBINFHSA-N 0 0 251.286 1.650 20 5 CDBDRN Cc1cc(N2CCOC[C@@H]2C[C@H](C)O)ncc1[N+](=O)[O-] ZINC000274276634 291937811 /nfs/dbraw/zinc/93/78/11/291937811.db2.gz GLVVHHCKZVXTDW-QWRGUYRKSA-N 0 0 281.312 1.274 20 5 CDBDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286829584 196713946 /nfs/dbraw/zinc/71/39/46/196713946.db2.gz UMKBASQKKPVTDX-SECBINFHSA-N 0 0 294.311 1.540 20 5 CDBDRN CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000285796503 390184410 /nfs/dbraw/zinc/18/44/10/390184410.db2.gz VGVSFRZLNHZDHA-VIFPVBQESA-N 0 0 267.285 1.014 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000286000462 390189402 /nfs/dbraw/zinc/18/94/02/390189402.db2.gz NPIWRPZLIWGLKU-VIFPVBQESA-N 0 0 290.283 1.408 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C=C[C@@H](CO)C1 ZINC000358637573 390204661 /nfs/dbraw/zinc/20/46/61/390204661.db2.gz DOCSWXPQNHVKQS-ZYHUDNBSSA-N 0 0 276.292 1.191 20 5 CDBDRN COCC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000281648697 195321809 /nfs/dbraw/zinc/32/18/09/195321809.db2.gz NQESNYQQVWNMST-SNVBAGLBSA-N 0 0 282.296 1.030 20 5 CDBDRN COC(=O)CSCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000530546216 390235990 /nfs/dbraw/zinc/23/59/90/390235990.db2.gz ALTCDGROUOBIEW-UHFFFAOYSA-N 0 0 281.293 1.877 20 5 CDBDRN COC[C@H](C)N(C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000282052168 195488924 /nfs/dbraw/zinc/48/89/24/195488924.db2.gz UADXSVBPMBFTPM-NSHDSACASA-N 0 0 296.323 1.775 20 5 CDBDRN Cc1nccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000048705254 390426890 /nfs/dbraw/zinc/42/68/90/390426890.db2.gz ANADUNAWKYFVPM-UHFFFAOYSA-N 0 0 258.237 1.946 20 5 CDBDRN CCC(C)(C)NC(=O)[C@@H](C)n1cc(C)c([N+](=O)[O-])n1 ZINC000282335718 195579039 /nfs/dbraw/zinc/57/90/39/195579039.db2.gz VOLSRPHWQVVWHJ-SECBINFHSA-N 0 0 268.317 1.966 20 5 CDBDRN CN(C)c1ncnc(Cl)c1Cn1cc([N+](=O)[O-])cn1 ZINC000282877403 195732442 /nfs/dbraw/zinc/73/24/42/195732442.db2.gz CMKVQAADARIRMO-UHFFFAOYSA-N 0 0 282.691 1.349 20 5 CDBDRN CO[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)C1CC1 ZINC000450865034 390565750 /nfs/dbraw/zinc/56/57/50/390565750.db2.gz WAPFPPCIWCSUHB-IMTBSYHQSA-N 0 0 267.289 1.023 20 5 CDBDRN CNC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544039 390630883 /nfs/dbraw/zinc/63/08/83/390630883.db2.gz DCDJQUWVDWZTOM-ZDUSSCGKSA-N 0 0 291.351 1.910 20 5 CDBDRN Cc1nc(NC(=O)c2ccccn2)ccc1[N+](=O)[O-] ZINC000175678032 390650522 /nfs/dbraw/zinc/65/05/22/390650522.db2.gz GUAQXSBDNZEVMR-UHFFFAOYSA-N 0 0 258.237 1.946 20 5 CDBDRN CO[C@@H]1C[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862918 390654659 /nfs/dbraw/zinc/65/46/59/390654659.db2.gz YJNPBGIIRATGCP-NWDGAFQWSA-N 0 0 294.355 1.718 20 5 CDBDRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000451088397 390595903 /nfs/dbraw/zinc/59/59/03/390595903.db2.gz XZDRNWNHBZJEFN-SECBINFHSA-N 0 0 294.279 1.917 20 5 CDBDRN CC1(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451105718 390597194 /nfs/dbraw/zinc/59/71/94/390597194.db2.gz MXMVCKHKBGJXBZ-UHFFFAOYSA-N 0 0 284.337 1.609 20 5 CDBDRN CC[S@@](=O)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000451136952 390601826 /nfs/dbraw/zinc/60/18/26/390601826.db2.gz YKQPAEHWLQCXKV-LJQANCHMSA-N 0 0 284.337 1.288 20 5 CDBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)C(=O)NCCF ZINC000283614027 195887746 /nfs/dbraw/zinc/88/77/46/195887746.db2.gz UTBAXSJZOJJKJV-LURJTMIESA-N 0 0 288.254 1.202 20 5 CDBDRN CN(CCOCCO)c1ccc([N+](=O)[O-])cc1F ZINC000283656488 195894880 /nfs/dbraw/zinc/89/48/80/195894880.db2.gz XEZBUMRPHKTKGY-UHFFFAOYSA-N 0 0 258.249 1.179 20 5 CDBDRN O=C([O-])[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000158459936 390797410 /nfs/dbraw/zinc/79/74/10/390797410.db2.gz PAPKBEORCKBWOV-CYBMUJFWSA-N 0 0 294.307 1.913 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1COc1nc(C)no1 ZINC000337354628 390810839 /nfs/dbraw/zinc/81/08/39/390810839.db2.gz BNADEQZUPBDKSE-UHFFFAOYSA-N 0 0 265.225 1.874 20 5 CDBDRN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347901466 391023123 /nfs/dbraw/zinc/02/31/23/391023123.db2.gz QEIYRGXHGBEDQV-VIFPVBQESA-N 0 0 297.311 1.345 20 5 CDBDRN Cc1cc(N2CC[C@@](O)(C3CC3)C2)ncc1[N+](=O)[O-] 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Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccn1 ZINC000183245372 391172820 /nfs/dbraw/zinc/17/28/20/391172820.db2.gz SPEAINLICRYPES-UHFFFAOYSA-N 0 0 273.252 1.528 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCCO[C@H]2CCOC2)c(F)c1 ZINC000413189296 391175516 /nfs/dbraw/zinc/17/55/16/391175516.db2.gz VZJHRASUTCCZHB-JTQLQIEISA-N 0 0 285.275 1.736 20 5 CDBDRN COC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000413255350 391186460 /nfs/dbraw/zinc/18/64/60/391186460.db2.gz HVHROPNOCYLHKG-WPRPVWTQSA-N 0 0 285.275 1.369 20 5 CDBDRN COC[C@@H]1C[C@H](O)CN1c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000413494880 391221426 /nfs/dbraw/zinc/22/14/26/391221426.db2.gz OPKYEQMVPKJCTI-RYUDHWBXSA-N 0 0 294.307 1.383 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000413513313 391225121 /nfs/dbraw/zinc/22/51/21/391225121.db2.gz LKBPNZKITULDLA-NSHDSACASA-N 0 0 277.324 1.818 20 5 CDBDRN CC(C)[C@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290718824 391231642 /nfs/dbraw/zinc/23/16/42/391231642.db2.gz YKYWXHBLPXGDBS-SNVBAGLBSA-N 0 0 278.312 1.714 20 5 CDBDRN C[C@@H]1C[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000413536907 391234122 /nfs/dbraw/zinc/23/41/22/391234122.db2.gz RCTXIRZSRBLTIT-OPRDCNLKSA-N 0 0 293.323 1.919 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC[C@H](CO)c1ccc(F)cc1 ZINC000413547341 391239297 /nfs/dbraw/zinc/23/92/97/391239297.db2.gz SWURZOGUXCZOGZ-SNVBAGLBSA-N 0 0 294.286 1.655 20 5 CDBDRN CNC(=O)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413322351 391199249 /nfs/dbraw/zinc/19/92/49/391199249.db2.gz RWQRKOLIKHWQRH-ZCFIWIBFSA-N 0 0 256.237 1.065 20 5 CDBDRN CN(Cc1ncc[nH]1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216412722 391199501 /nfs/dbraw/zinc/19/95/01/391199501.db2.gz PQPMQQXKXYKKOH-SREVYHEPSA-N 0 0 286.291 1.990 20 5 CDBDRN CC[C@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183740086 391307812 /nfs/dbraw/zinc/30/78/12/391307812.db2.gz ZHPSKQHAYADHPZ-YUMQZZPRSA-N 0 0 266.301 1.736 20 5 CDBDRN CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268513734 391337277 /nfs/dbraw/zinc/33/72/77/391337277.db2.gz SRPJURSMFVHIRU-UHFFFAOYSA-N 0 0 292.339 1.745 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CO[C@H](C)C1 ZINC000438926048 391339213 /nfs/dbraw/zinc/33/92/13/391339213.db2.gz BJXAOQHSTPAKBI-MWLCHTKSSA-N 0 0 294.307 1.645 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000458264749 391374182 /nfs/dbraw/zinc/37/41/82/391374182.db2.gz VNNRLWWEWQGPHZ-WOPDTQHZSA-N 0 0 292.339 1.795 20 5 CDBDRN CC(C)(O)[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000190337884 391381948 /nfs/dbraw/zinc/38/19/48/391381948.db2.gz NVHDVCPKAUCZCI-SSDOTTSWSA-N 0 0 257.315 1.791 20 5 CDBDRN C[C@H](O)C[C@H]1CCCN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439168048 391477779 /nfs/dbraw/zinc/47/77/79/391477779.db2.gz ODNNTRFMRVICIH-VHSXEESVSA-N 0 0 293.323 1.433 20 5 CDBDRN CO[C@@](C)([C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C)C1CC1 ZINC000412611128 391560065 /nfs/dbraw/zinc/56/00/65/391560065.db2.gz ZMNDHACEVMJUFP-OQPBUACISA-N 0 0 296.327 1.262 20 5 CDBDRN CN(Cc1ccc(F)cc1F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573937495 391617172 /nfs/dbraw/zinc/61/71/72/391617172.db2.gz YEIKAGSAXSZFTJ-UHFFFAOYSA-N 0 0 296.233 1.868 20 5 CDBDRN CN(C(=O)c1ccc2nccn2c1)c1ccc([N+](=O)[O-])nc1 ZINC000439289436 391577159 /nfs/dbraw/zinc/57/71/59/391577159.db2.gz LHFOSWOIZDOHOO-UHFFFAOYSA-N 0 0 297.274 1.914 20 5 CDBDRN CCO[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000457873342 391653670 /nfs/dbraw/zinc/65/36/70/391653670.db2.gz HLDKURLZAOVFRP-DTORHVGOSA-N 0 0 279.296 1.474 20 5 CDBDRN C[C@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184724313 391686517 /nfs/dbraw/zinc/68/65/17/391686517.db2.gz MFBBTKBJCBYNHZ-ZETCQYMHSA-N 0 0 282.325 1.150 20 5 CDBDRN O=c1c(F)cc([N+](=O)[O-])cn1C[C@@H]1CCC[C@@H](O)C1 ZINC000519766485 391706400 /nfs/dbraw/zinc/70/64/00/391706400.db2.gz GDDSAIZKEXHZQE-PSASIEDQSA-N 0 0 270.260 1.447 20 5 CDBDRN Cc1cc(NC(=O)NOC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000189765271 130020032 /nfs/dbraw/zinc/02/00/32/130020032.db2.gz JRUZREVUYWLHNJ-JTQLQIEISA-N 0 0 295.295 1.993 20 5 CDBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000341790450 130050465 /nfs/dbraw/zinc/05/04/65/130050465.db2.gz OYLHBUWLNVXYML-OLZOCXBDSA-N 0 0 278.308 1.509 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCC[C@@H]1O ZINC000341807941 130070788 /nfs/dbraw/zinc/07/07/88/130070788.db2.gz QZRYHCAHMWEHSL-RYUDHWBXSA-N 0 0 294.307 1.589 20 5 CDBDRN COc1cccc(NCCCOCCO)c1[N+](=O)[O-] ZINC000185695691 391751909 /nfs/dbraw/zinc/75/19/09/391751909.db2.gz MOXGTTNHRSJNAK-UHFFFAOYSA-N 0 0 270.285 1.414 20 5 CDBDRN Nc1c(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000189397112 391755497 /nfs/dbraw/zinc/75/54/97/391755497.db2.gz SJAFMTNYXGWBTI-UISBYWKRSA-N 0 0 291.307 1.474 20 5 CDBDRN O=C(N[C@H]1C=C[C@@H](CO)C1)c1ccc([N+](=O)[O-])s1 ZINC000341909367 130123439 /nfs/dbraw/zinc/12/34/39/130123439.db2.gz HQUUPKPUPPHDHU-SFYZADRCSA-N 0 0 268.294 1.323 20 5 CDBDRN C[C@H](C[C@H](C)O)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000341952229 130144702 /nfs/dbraw/zinc/14/47/02/130144702.db2.gz LJXRMHXHDLTKJT-BDAKNGLRSA-N 0 0 284.287 1.552 20 5 CDBDRN C[C@H](C[C@H](C)O)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000341977353 130163516 /nfs/dbraw/zinc/16/35/16/130163516.db2.gz YXGPDHVZJRBFEM-SFYZADRCSA-N 0 0 267.285 1.066 20 5 CDBDRN CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000458130973 391827781 /nfs/dbraw/zinc/82/77/81/391827781.db2.gz QMVQAFZOIMTMTH-DTWKUNHWSA-N 0 0 251.286 1.708 20 5 CDBDRN Cn1ccnc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000348220854 391830476 /nfs/dbraw/zinc/83/04/76/391830476.db2.gz JHANMCHVKKYBFD-UHFFFAOYSA-N 0 0 289.295 1.328 20 5 CDBDRN Cn1c(=O)c(Cn2cnc([N+](=O)[O-])c2)nc2ccccc21 ZINC000357041998 391936854 /nfs/dbraw/zinc/93/68/54/391936854.db2.gz PQQTTWFIFXUPIT-UHFFFAOYSA-N 0 0 285.263 1.087 20 5 CDBDRN O=C1OCC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN12 ZINC000495607801 391911383 /nfs/dbraw/zinc/91/13/83/391911383.db2.gz YWXZSIYHEKGEHX-JTQLQIEISA-N 0 0 278.268 1.021 20 5 CDBDRN CN(C)C(=O)OC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000495592100 391911610 /nfs/dbraw/zinc/91/16/10/391911610.db2.gz HTQCSCBXWFQLDM-UHFFFAOYSA-N 0 0 294.311 1.657 20 5 CDBDRN CN1C[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)OC1=O ZINC000495664362 391913176 /nfs/dbraw/zinc/91/31/76/391913176.db2.gz KYEKUQRYOHSFFR-SNVBAGLBSA-N 0 0 298.226 1.341 20 5 CDBDRN CCc1ccc(C(=O)OC[C@H]2CNC(=O)O2)cc1[N+](=O)[O-] ZINC000495651004 391913195 /nfs/dbraw/zinc/91/31/95/391913195.db2.gz LXLRQRJFTXHQQU-SNVBAGLBSA-N 0 0 294.263 1.422 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000496974453 391930243 /nfs/dbraw/zinc/93/02/43/391930243.db2.gz MYBKUOHZRIMAAN-RKDXNWHRSA-N 0 0 288.300 1.204 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)C)c1 ZINC000351788578 291991574 /nfs/dbraw/zinc/99/15/74/291991574.db2.gz APOBENIHBCHTSA-UHFFFAOYSA-N 0 0 272.326 1.898 20 5 CDBDRN C[C@@H](NC(=O)NCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000171755342 391958114 /nfs/dbraw/zinc/95/81/14/391958114.db2.gz KLQNXBQHRLVXGK-SECBINFHSA-N 0 0 281.312 1.726 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCCOC1CCCC1 ZINC000194354697 392170598 /nfs/dbraw/zinc/17/05/98/392170598.db2.gz MXZAJFCRTFANTQ-UHFFFAOYSA-N 0 0 296.327 1.257 20 5 CDBDRN COC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000194029539 392113308 /nfs/dbraw/zinc/11/33/08/392113308.db2.gz JACNYGNPRNRLFJ-QMMMGPOBSA-N 0 0 270.260 1.841 20 5 CDBDRN O=[N+]([O-])c1c(NCCCCO)nc2sccn21 ZINC000236508337 130958760 /nfs/dbraw/zinc/95/87/60/130958760.db2.gz FQCUYQUEKZRJLA-UHFFFAOYSA-N 0 0 256.287 1.488 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC2)c1C ZINC000015323394 291994220 /nfs/dbraw/zinc/99/42/20/291994220.db2.gz LBGWDSHNIVLFEV-UHFFFAOYSA-N 0 0 284.337 1.996 20 5 CDBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](C2CC2)C1 ZINC000548950784 392517166 /nfs/dbraw/zinc/51/71/66/392517166.db2.gz IDMFGDQVKYYLAW-MRVPVSSYSA-N 0 0 250.258 1.190 20 5 CDBDRN CC(F)(F)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000549189587 392543626 /nfs/dbraw/zinc/54/36/26/392543626.db2.gz KXTCNEVBESRVKH-UHFFFAOYSA-N 0 0 259.212 1.761 20 5 CDBDRN CC[C@](COC)(NCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000459586349 392480797 /nfs/dbraw/zinc/48/07/97/392480797.db2.gz JJWRYGOYCVBXGT-CQSZACIVSA-N 0 0 296.323 1.653 20 5 CDBDRN C[C@@H](CCO)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593882210 392619155 /nfs/dbraw/zinc/61/91/55/392619155.db2.gz MNRPDTMGSVIHSB-JTQLQIEISA-N 0 0 282.296 1.203 20 5 CDBDRN COc1cccc(C(=O)NCC(C)(C)OC)c1[N+](=O)[O-] ZINC000194507364 392769939 /nfs/dbraw/zinc/76/99/39/392769939.db2.gz MWEUMDMIXUDDJZ-UHFFFAOYSA-N 0 0 282.296 1.758 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(n2ccnc2)C1 ZINC000523699932 392891886 /nfs/dbraw/zinc/89/18/86/392891886.db2.gz ANZNDVJXVBIGCU-UHFFFAOYSA-N 0 0 272.264 1.488 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CCC[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000285828166 392919368 /nfs/dbraw/zinc/91/93/68/392919368.db2.gz OHRUMYODQUAMPG-VHSXEESVSA-N 0 0 294.311 1.410 20 5 CDBDRN 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0 0 270.310 1.768 20 5 CDBDRN O=[N+]([O-])c1ccc(NC(CO)CO)c(Br)c1 ZINC000075877589 176810933 /nfs/dbraw/zinc/81/09/33/176810933.db2.gz WBCVAPRJGYJNFW-UHFFFAOYSA-N 0 0 291.101 1.122 20 5 CDBDRN CSC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000077105052 177224568 /nfs/dbraw/zinc/22/45/68/177224568.db2.gz DMGQUBAHVZUTMB-LBPRGKRZSA-N 0 0 284.337 1.439 20 5 CDBDRN CC[C@H](CCO)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000077508857 177276910 /nfs/dbraw/zinc/27/69/10/177276910.db2.gz NXIWHIUGCTYTHX-SECBINFHSA-N 0 0 267.285 1.877 20 5 CDBDRN CN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000078021131 177317951 /nfs/dbraw/zinc/31/79/51/177317951.db2.gz BSTFMJSPLVPTSP-VIFPVBQESA-N 0 0 280.240 1.146 20 5 CDBDRN C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000189463481 287523047 /nfs/dbraw/zinc/52/30/47/287523047.db2.gz BCNBDTMMDJHPTK-MFKMUULPSA-N 0 0 294.307 1.203 20 5 CDBDRN COc1cccc(C(=O)NCC2(O)CCCC2)c1[N+](=O)[O-] ZINC000192570568 228134559 /nfs/dbraw/zinc/13/45/59/228134559.db2.gz CSSUYOUKLCHGMA-UHFFFAOYSA-N 0 0 294.307 1.638 20 5 CDBDRN CNC(=O)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000323006964 260120975 /nfs/dbraw/zinc/12/09/75/260120975.db2.gz MQNLWYDTMWZRKX-MRVPVSSYSA-N 0 0 252.274 1.235 20 5 CDBDRN CC[C@@H](O)[C@H](CC)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000313094342 260246568 /nfs/dbraw/zinc/24/65/68/260246568.db2.gz VVVYNDSCTGRTCD-NWDGAFQWSA-N 0 0 296.323 1.883 20 5 CDBDRN CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313096323 260247036 /nfs/dbraw/zinc/24/70/36/260247036.db2.gz WVTIFFQMOWWXFQ-OLZOCXBDSA-N 0 0 296.323 1.639 20 5 CDBDRN CC[C@@H](O)[C@@H](CC)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000313102985 260248308 /nfs/dbraw/zinc/24/83/08/260248308.db2.gz QPIJFZHEALJZHP-CHWSQXEVSA-N 0 0 280.324 1.803 20 5 CDBDRN CCc1nnc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])[nH]1 ZINC000182258489 262259402 /nfs/dbraw/zinc/25/94/02/262259402.db2.gz UPRYMCRLLQQWBH-UHFFFAOYSA-N 0 0 275.268 1.836 20 5 CDBDRN CCOC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000029162417 262373328 /nfs/dbraw/zinc/37/33/28/262373328.db2.gz YUTHTSOPNGIXHD-VIFPVBQESA-N 0 0 282.300 1.108 20 5 CDBDRN CCc1nnc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)o1 ZINC000185162379 270255513 /nfs/dbraw/zinc/25/55/13/270255513.db2.gz QDORLYRPQWDZHG-UHFFFAOYSA-N 0 0 263.257 1.662 20 5 CDBDRN CCOC(=O)CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000042306992 270225528 /nfs/dbraw/zinc/22/55/28/270225528.db2.gz ZNKRILJFOFRYIG-UHFFFAOYSA-N 0 0 298.320 1.824 20 5 CDBDRN O=C(CC[NH+]1CCSCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103467841 270234974 /nfs/dbraw/zinc/23/49/74/270234974.db2.gz GOQNEXNDBCMWSY-UHFFFAOYSA-N 0 0 295.364 1.972 20 5 CDBDRN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)s1 ZINC000192691999 270297710 /nfs/dbraw/zinc/29/77/10/270297710.db2.gz YCYHJCARVAZCBH-UHFFFAOYSA-N 0 0 281.253 1.108 20 5 CDBDRN CCc1ccc(C(=O)N[C@@H](CCO)COC)cc1[N+](=O)[O-] ZINC000269118215 270314516 /nfs/dbraw/zinc/31/45/16/270314516.db2.gz CXIMQVSHQCHHQI-LBPRGKRZSA-N 0 0 296.323 1.284 20 5 CDBDRN C[C@@H]1C[C@@H](CO)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398641153 270357169 /nfs/dbraw/zinc/35/71/69/270357169.db2.gz XDFSUHFNEIFREL-DGCLKSJQSA-N 0 0 292.335 1.614 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](O)C[C@H](C)C1 ZINC000401525631 270376643 /nfs/dbraw/zinc/37/66/43/270376643.db2.gz FMGZJMKUUNDGHB-WCBMZHEXSA-N 0 0 268.317 1.327 20 5 CDBDRN NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1CCO ZINC000420609037 270379518 /nfs/dbraw/zinc/37/95/18/270379518.db2.gz GBCBCWNNFBSZGU-KOLCDFICSA-N 0 0 293.323 1.657 20 5 CDBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[S@@](=O)C1 ZINC000521342607 270553102 /nfs/dbraw/zinc/55/31/02/270553102.db2.gz WBXUZDAMNZIYCC-NIVTXAMTSA-N 0 0 269.326 1.195 20 5 CDBDRN O=C(CCc1cnccn1)NCc1cccc([N+](=O)[O-])c1 ZINC000526005717 270633211 /nfs/dbraw/zinc/63/32/11/270633211.db2.gz PPYMXWQKRHOISL-UHFFFAOYSA-N 0 0 286.291 1.634 20 5 CDBDRN Cn1ccnc1[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000374352737 274897854 /nfs/dbraw/zinc/89/78/54/274897854.db2.gz QBWCJUJTZGNBJX-SNVBAGLBSA-N 0 0 273.296 1.717 20 5 CDBDRN CCC[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298148220 276026410 /nfs/dbraw/zinc/02/64/10/276026410.db2.gz RGNSBQLJWHEMQR-GFCCVEGCSA-N 0 0 294.355 1.273 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000269323011 276041818 /nfs/dbraw/zinc/04/18/18/276041818.db2.gz JROPMCJHBBRCHN-SSDOTTSWSA-N 0 0 266.301 1.970 20 5 CDBDRN CC1(O)CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000276218858 276171266 /nfs/dbraw/zinc/17/12/66/276171266.db2.gz LBUFGBGNNLWYKR-UHFFFAOYSA-N 0 0 277.280 1.051 20 5 CDBDRN CO[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281728779 277342008 /nfs/dbraw/zinc/34/20/08/277342008.db2.gz VZMIZHCWQLTUKK-WPRPVWTQSA-N 0 0 252.274 1.389 20 5 CDBDRN COC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000345646000 277356977 /nfs/dbraw/zinc/35/69/77/277356977.db2.gz KYQPWUUTEVQMSB-BDAKNGLRSA-N 0 0 295.295 1.005 20 5 CDBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000347094288 277392944 /nfs/dbraw/zinc/39/29/44/277392944.db2.gz JJPYYPDZEPEROL-SFYZADRCSA-N 0 0 298.320 1.680 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000408392005 278000387 /nfs/dbraw/zinc/00/03/87/278000387.db2.gz AZMIVKMEYKNIIG-UHFFFAOYSA-N 0 0 296.327 1.692 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCS1 ZINC000170901617 288020364 /nfs/dbraw/zinc/02/03/64/288020364.db2.gz BYHKOAMIWUQBMG-SSDOTTSWSA-N 0 0 283.309 1.273 20 5 CDBDRN C[C@H]1C(=O)N(C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000302485081 278318356 /nfs/dbraw/zinc/31/83/56/278318356.db2.gz YGVSGIOPFMACPP-QMMMGPOBSA-N 0 0 294.267 1.170 20 5 CDBDRN CC1(C)C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C(C)(C)O1 ZINC000183095619 278387817 /nfs/dbraw/zinc/38/78/17/278387817.db2.gz SESUQACZMOUYTJ-QMMMGPOBSA-N 0 0 282.300 1.394 20 5 CDBDRN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356899637 279102863 /nfs/dbraw/zinc/10/28/63/279102863.db2.gz KPIRLEGYNYJLKZ-VHSXEESVSA-N 0 0 295.314 1.899 20 5 CDBDRN CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357063678 279141609 /nfs/dbraw/zinc/14/16/09/279141609.db2.gz GKVBYAWNGMZBGO-SNVBAGLBSA-N 0 0 281.312 1.404 20 5 CDBDRN Nc1c(C(=O)NCC(F)(F)F)cc(F)cc1[N+](=O)[O-] ZINC000048766959 279160784 /nfs/dbraw/zinc/16/07/84/279160784.db2.gz ORSXLJPFNNHAMN-UHFFFAOYSA-N 0 0 281.165 1.608 20 5 CDBDRN Cc1nn(C)c(N2CCC([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000378652236 279198147 /nfs/dbraw/zinc/19/81/47/279198147.db2.gz PRUAFUIXMKLWQF-GFCCVEGCSA-N 0 0 294.355 1.890 20 5 CDBDRN O=C(COC[C@@H]1CCCO1)NCc1ccccc1[N+](=O)[O-] ZINC000069264582 279206698 /nfs/dbraw/zinc/20/66/98/279206698.db2.gz BDKVMUAKNMFBIG-LBPRGKRZSA-N 0 0 294.307 1.407 20 5 CDBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000089306864 279259990 /nfs/dbraw/zinc/25/99/90/279259990.db2.gz JINZYSHGQLEGLL-UHFFFAOYSA-N 0 0 278.293 1.419 20 5 CDBDRN CC1(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])COC1 ZINC000112618671 279330675 /nfs/dbraw/zinc/33/06/75/279330675.db2.gz YYKJMPLHFXOTEE-HWKANZROSA-N 0 0 294.282 1.900 20 5 CDBDRN COc1cccc(OCCn2cnc([N+](=O)[O-])n2)c1 ZINC000119173295 279357140 /nfs/dbraw/zinc/35/71/40/279357140.db2.gz NYWZGHNFOGPRPU-UHFFFAOYSA-N 0 0 264.241 1.274 20 5 CDBDRN CC(C)N(CC(N)=O)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133152416 279418271 /nfs/dbraw/zinc/41/82/71/279418271.db2.gz XGGOUTXBUPLCHZ-UHFFFAOYSA-N 0 0 283.259 1.070 20 5 CDBDRN Nc1c(C(=O)Nc2nncs2)cccc1[N+](=O)[O-] ZINC000122802116 279424455 /nfs/dbraw/zinc/42/44/55/279424455.db2.gz LCJFQORLZKGOTM-UHFFFAOYSA-N 0 0 265.254 1.281 20 5 CDBDRN CO[C@H](C)c1noc(Cn2ccc(C)c([N+](=O)[O-])c2=O)n1 ZINC000129590988 279608214 /nfs/dbraw/zinc/60/82/14/279608214.db2.gz UOHPDRMVXLVLPU-MRVPVSSYSA-N 0 0 294.267 1.204 20 5 CDBDRN CN(CCc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135108260 279803118 /nfs/dbraw/zinc/80/31/18/279803118.db2.gz KBGUEMRKVLRAER-UHFFFAOYSA-N 0 0 274.280 1.633 20 5 CDBDRN O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000365931108 279804537 /nfs/dbraw/zinc/80/45/37/279804537.db2.gz XGSIWXKHBRMKED-UHFFFAOYSA-N 0 0 292.217 1.517 20 5 CDBDRN O=C([C@@H]1CCCOC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172422302 280088318 /nfs/dbraw/zinc/08/83/18/280088318.db2.gz YLIGKBRHUAIIOU-SNVBAGLBSA-N 0 0 276.292 1.911 20 5 CDBDRN CS[C@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000218897222 280091425 /nfs/dbraw/zinc/09/14/25/280091425.db2.gz FFVSCXYFDRMCSQ-IMTBSYHQSA-N 0 0 298.324 1.655 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCN2CCSCC2)n1 ZINC000222990435 280094762 /nfs/dbraw/zinc/09/47/62/280094762.db2.gz ANKUDFIEAFVSED-UHFFFAOYSA-N 0 0 282.369 1.759 20 5 CDBDRN CCC[C@H](CCO)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000227108577 280103651 /nfs/dbraw/zinc/10/36/51/280103651.db2.gz HMIRRIKLDAICIP-SNVBAGLBSA-N 0 0 283.328 1.462 20 5 CDBDRN CC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)C ZINC000347164959 280181572 /nfs/dbraw/zinc/18/15/72/280181572.db2.gz ZVRNAJOEDZRYNA-SECBINFHSA-N 0 0 268.317 1.883 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000121445415 280191967 /nfs/dbraw/zinc/19/19/67/280191967.db2.gz LYHABZVYJZRVLX-UWVGGRQHSA-N 0 0 280.280 1.829 20 5 CDBDRN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCC1(F)F ZINC000352018602 288208431 /nfs/dbraw/zinc/20/84/31/288208431.db2.gz RFAPWDOWLCMNDH-MRVPVSSYSA-N 0 0 274.271 1.805 20 5 CDBDRN Nc1c(C(=O)N[C@H]2CC[C@H](O)CC2)cc(F)cc1[N+](=O)[O-] ZINC000245561312 280220837 /nfs/dbraw/zinc/22/08/37/280220837.db2.gz UYDKEBLDFXZVNS-KYZUINATSA-N 0 0 297.286 1.349 20 5 CDBDRN O=C1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346464986 280258211 /nfs/dbraw/zinc/25/82/11/280258211.db2.gz VFZICONGZBXJJC-CYBMUJFWSA-N 0 0 275.308 1.401 20 5 CDBDRN CC(C)[C@H]1N(C(=O)c2c([N+](=O)[O-])cnn2C)CC1(C)C ZINC000350734296 280468670 /nfs/dbraw/zinc/46/86/70/280468670.db2.gz AHNGISAADPYEEM-LLVKDONJSA-N 0 0 280.328 1.835 20 5 CDBDRN C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000269021139 280546285 /nfs/dbraw/zinc/54/62/85/280546285.db2.gz FGGTZEGSKNYEKP-UWVGGRQHSA-N 0 0 281.316 1.089 20 5 CDBDRN CN(C(=O)c1ccncn1)c1ccc([N+](=O)[O-])cc1 ZINC000487776711 280821046 /nfs/dbraw/zinc/82/10/46/280821046.db2.gz NIGSMPZBXVWOCG-UHFFFAOYSA-N 0 0 258.237 1.661 20 5 CDBDRN Cc1c(NC(=O)C(=O)N2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000527389211 281135988 /nfs/dbraw/zinc/13/59/88/281135988.db2.gz CJTAZFZXAVKPBB-UHFFFAOYSA-N 0 0 291.307 1.853 20 5 CDBDRN CC[C@H]1CO[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000268015381 281213675 /nfs/dbraw/zinc/21/36/75/281213675.db2.gz GHMVWXAJHUDZRC-UWVGGRQHSA-N 0 0 251.286 1.994 20 5 CDBDRN CC1(C)CNC(=O)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000282724436 281276888 /nfs/dbraw/zinc/27/68/88/281276888.db2.gz MFCMZKKUODPXTC-UHFFFAOYSA-N 0 0 297.742 1.959 20 5 CDBDRN CC[C@H]1COCCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000360914244 288325778 /nfs/dbraw/zinc/32/57/78/288325778.db2.gz QPLYGNNLCFZAIT-JTQLQIEISA-N 0 0 268.317 1.735 20 5 CDBDRN C[C@@H](Cc1ccncc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531392870 281760844 /nfs/dbraw/zinc/76/08/44/281760844.db2.gz BFTSZHMABZPVIT-JTQLQIEISA-N 0 0 288.307 1.689 20 5 CDBDRN CCC[C@@H](O)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000531639012 281813728 /nfs/dbraw/zinc/81/37/28/281813728.db2.gz BKXLUKDVWIBOQE-LLVKDONJSA-N 0 0 296.323 1.423 20 5 CDBDRN CNc1ccc(C(=O)NC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000532903917 282063392 /nfs/dbraw/zinc/06/33/92/282063392.db2.gz RTTFUUMOVNLWTN-GFCCVEGCSA-N 0 0 281.312 1.383 20 5 CDBDRN CSCCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000152426125 289133209 /nfs/dbraw/zinc/13/32/09/289133209.db2.gz CTVPUHCBSZGEDV-UHFFFAOYSA-N 0 0 268.338 1.959 20 5 CDBDRN CC(C)C(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000159136710 289327056 /nfs/dbraw/zinc/32/70/56/289327056.db2.gz ICGSMWVENNZXRI-UHFFFAOYSA-N 0 0 299.352 1.548 20 5 CDBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000255203504 289361406 /nfs/dbraw/zinc/36/14/06/289361406.db2.gz AVAJCQJMKMSNIP-WAYWQWQTSA-N 0 0 294.332 1.199 20 5 CDBDRN COC(=O)C1(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255369181 289368753 /nfs/dbraw/zinc/36/87/53/289368753.db2.gz UQCSEPXKCVMEFO-DAXSKMNVSA-N 0 0 290.275 1.430 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC(F)C1 ZINC000541502580 289495671 /nfs/dbraw/zinc/49/56/71/289495671.db2.gz RCEOAENJXPRTFN-UHFFFAOYSA-N 0 0 282.227 1.160 20 5 CDBDRN C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)S1 ZINC000541908422 289527432 /nfs/dbraw/zinc/52/74/32/289527432.db2.gz PPUZOVGMIGDEPR-IUCAKERBSA-N 0 0 296.352 1.769 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCCCO1 ZINC000542806337 289565162 /nfs/dbraw/zinc/56/51/62/289565162.db2.gz FQNMWIGCBNYVCR-LLVKDONJSA-N 0 0 281.312 1.622 20 5 CDBDRN Cc1nn(C)c(-c2nc([C@H]3C[C@H]3C)no2)c1[N+](=O)[O-] ZINC000545769097 289694044 /nfs/dbraw/zinc/69/40/44/289694044.db2.gz JGRRYCKNFMBCFT-VDTYLAMSSA-N 0 0 263.257 1.810 20 5 CDBDRN CCCN(CC1CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547752001 289804370 /nfs/dbraw/zinc/80/43/70/289804370.db2.gz PMRLOOYPXIZRGD-UHFFFAOYSA-N 0 0 252.274 1.580 20 5 CDBDRN Cc1cc(N2CCN(c3ncc[nH]3)CC2)ncc1[N+](=O)[O-] ZINC000547762992 289805135 /nfs/dbraw/zinc/80/51/35/289805135.db2.gz WSSXKFKRKYXWET-UHFFFAOYSA-N 0 0 288.311 1.348 20 5 CDBDRN CC(C)(CO)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000547927419 289820051 /nfs/dbraw/zinc/82/00/51/289820051.db2.gz JTXSMBOCVHETNF-UHFFFAOYSA-N 0 0 252.270 1.230 20 5 CDBDRN NC(=O)c1cnn(Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000547955816 289822099 /nfs/dbraw/zinc/82/20/99/289822099.db2.gz JRYKUBOJFGKUMC-UHFFFAOYSA-N 0 0 280.671 1.592 20 5 CDBDRN CN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548092043 289841927 /nfs/dbraw/zinc/84/19/27/289841927.db2.gz CDAYEQBAZLNCIN-UHFFFAOYSA-N 0 0 297.702 1.582 20 5 CDBDRN Cc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548407924 289880442 /nfs/dbraw/zinc/88/04/42/289880442.db2.gz WSMYOVZXLVXYOI-UHFFFAOYSA-N 0 0 260.253 1.556 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CCCS(=O)(=O)CC1 ZINC000548616000 289905390 /nfs/dbraw/zinc/90/53/90/289905390.db2.gz OHDSXUQMAJVPCJ-UHFFFAOYSA-N 0 0 284.337 1.528 20 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HSJQCIXCVWTSAN-WDEREUQCSA-N 0 0 291.307 1.065 20 5 CDBDRN O=C(NC[C@@H]1Cc2ccccc2O1)c1c[nH]nc1[N+](=O)[O-] ZINC000554838706 290194664 /nfs/dbraw/zinc/19/46/64/290194664.db2.gz CAFFITVYLXZIGP-VIFPVBQESA-N 0 0 288.263 1.051 20 5 CDBDRN Cc1csc([C@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000555287359 290212532 /nfs/dbraw/zinc/21/25/32/290212532.db2.gz BQBABISJOTXEDU-ZCFIWIBFSA-N 0 0 295.324 1.616 20 5 CDBDRN Cc1[nH][nH]c(=O)c1CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000558643594 290410638 /nfs/dbraw/zinc/41/06/38/290410638.db2.gz AVNWQLOABIRDHZ-SECBINFHSA-N 0 0 294.286 1.966 20 5 CDBDRN CO[C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000558935291 290429815 /nfs/dbraw/zinc/42/98/15/290429815.db2.gz GELUHDDWKVWHAU-QMMMGPOBSA-N 0 0 255.274 1.088 20 5 CDBDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000561616416 293095325 /nfs/dbraw/zinc/09/53/25/293095325.db2.gz QXONGOHOAYQDNR-ZJUUUORDSA-N 0 0 293.327 1.017 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000562376356 293146873 /nfs/dbraw/zinc/14/68/73/293146873.db2.gz QSRQDMWXBADTAX-CMPLNLGQSA-N 0 0 279.296 1.571 20 5 CDBDRN C[C@@H](CCC1CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565726527 293670807 /nfs/dbraw/zinc/67/08/07/293670807.db2.gz ZQMSSPKYYYKNJG-QMMMGPOBSA-N 0 0 278.312 1.711 20 5 CDBDRN Cc1nn(C)c(C(=O)N2CCCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186454127 293697953 /nfs/dbraw/zinc/69/79/53/293697953.db2.gz ITBHSRUDBAPANE-SECBINFHSA-N 0 0 280.328 1.899 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCCC1(C)C ZINC000567943040 293911964 /nfs/dbraw/zinc/91/19/64/293911964.db2.gz AHTYUCFMNAJTFM-CQSZACIVSA-N 0 0 295.339 1.604 20 5 CDBDRN CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000568531275 294055807 /nfs/dbraw/zinc/05/58/07/294055807.db2.gz ZELTZPULDHBCQL-MRVPVSSYSA-N 0 0 264.285 1.273 20 5 CDBDRN Cc1c(CNC(=O)[C@H]2CCC(=O)C2)cccc1[N+](=O)[O-] ZINC000569343566 294187871 /nfs/dbraw/zinc/18/78/71/294187871.db2.gz HNBUNJFYFPSNTN-JTQLQIEISA-N 0 0 276.292 1.889 20 5 CDBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]1CF ZINC000573036958 294740424 /nfs/dbraw/zinc/74/04/24/294740424.db2.gz GXSMMADXIGGTFM-QMMMGPOBSA-N 0 0 296.254 1.898 20 5 CDBDRN CCO[C@H]1C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000573313019 294792246 /nfs/dbraw/zinc/79/22/46/294792246.db2.gz NTAGEPIXWXODPJ-NEPJUHHUSA-N 0 0 280.280 1.267 20 5 CDBDRN O=C1NCC[C@@]12CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000574581576 295022680 /nfs/dbraw/zinc/02/26/80/295022680.db2.gz OWBLULKBYIZJCF-LBPRGKRZSA-N 0 0 281.337 1.511 20 5 CDBDRN Nc1nc(N2CC[C@H](c3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000574913972 295075813 /nfs/dbraw/zinc/07/58/13/295075813.db2.gz SQMMPUNHWLMRFK-JTQLQIEISA-N 0 0 286.295 1.186 20 5 CDBDRN Nc1ccc(N2CCn3cncc3C2)c([N+](=O)[O-])c1 ZINC000290789490 295354223 /nfs/dbraw/zinc/35/42/23/295354223.db2.gz XGYBIKUVZDKUSL-UHFFFAOYSA-N 0 0 259.269 1.394 20 5 CDBDRN C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000127072764 300700127 /nfs/dbraw/zinc/70/01/27/300700127.db2.gz DROVDIOIWJEDMC-QWRGUYRKSA-N 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ZINC000563803439 316371854 /nfs/dbraw/zinc/37/18/54/316371854.db2.gz RCHAQWLZCLJTBO-SNVBAGLBSA-N 0 0 264.281 1.808 20 5 CDBDRN CC(C)[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000564029689 316413664 /nfs/dbraw/zinc/41/36/64/316413664.db2.gz BEZMXZGXBXQHKZ-BXKDBHETSA-N 0 0 293.323 1.324 20 5 CDBDRN C[C@H](C(=O)N1CC(C(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000564277221 316441003 /nfs/dbraw/zinc/44/10/03/316441003.db2.gz LKDXXMUYECVJGD-JTQLQIEISA-N 0 0 292.335 1.928 20 5 CDBDRN CC(C)c1nc(Cn2cc([N+](=O)[O-])cc(F)c2=O)no1 ZINC000566219863 316519899 /nfs/dbraw/zinc/51/98/99/316519899.db2.gz MZNUBYJCKDAKIF-UHFFFAOYSA-N 0 0 282.231 1.450 20 5 CDBDRN Nc1nccc(C(=O)NCC2CCSCC2)c1[N+](=O)[O-] ZINC000566442972 316588835 /nfs/dbraw/zinc/58/88/35/316588835.db2.gz WLCWBFVBXJQHDE-UHFFFAOYSA-N 0 0 296.352 1.275 20 5 CDBDRN CC1(C)C(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1(C)C ZINC000576239824 317103608 /nfs/dbraw/zinc/10/36/08/317103608.db2.gz KEQDQTFXPDSPGK-UHFFFAOYSA-N 0 0 292.339 1.814 20 5 CDBDRN 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ZINC000050693056 527502980 /nfs/dbraw/zinc/50/29/80/527502980.db2.gz GSSLJOLYVXCNLO-UHFFFAOYSA-N 0 0 279.296 1.022 20 5 CDBDRN CC(C)CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269063615 527910921 /nfs/dbraw/zinc/91/09/21/527910921.db2.gz WBFJVVJRFKRFJC-UHFFFAOYSA-N 0 0 269.305 1.089 20 5 CDBDRN CCOC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000458107287 528917614 /nfs/dbraw/zinc/91/76/14/528917614.db2.gz YKSYTTLTPBGCQO-VIFPVBQESA-N 0 0 282.300 1.349 20 5 CDBDRN CC(C)N(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCC1 ZINC000183582566 534956079 /nfs/dbraw/zinc/95/60/79/534956079.db2.gz VZIDMXSZVMTAFE-UHFFFAOYSA-N 0 0 278.312 1.975 20 5 CDBDRN CCCN1CC(=O)N[C@H]1/C=C/c1ccccc1[N+](=O)[O-] ZINC000414180786 535349342 /nfs/dbraw/zinc/34/93/42/535349342.db2.gz KGXHKMKQXXPURE-SBDDDAINSA-N 0 0 275.308 1.776 20 5 CDBDRN CC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188340383 535547500 /nfs/dbraw/zinc/54/75/00/535547500.db2.gz NNLHLSRPNZJCRT-SSDOTTSWSA-N 0 0 253.258 1.566 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](CC)O1 ZINC000421988084 535840341 /nfs/dbraw/zinc/84/03/41/535840341.db2.gz UQIBYFGBEXFRCK-AOOOYVTPSA-N 0 0 296.327 1.358 20 5 CDBDRN CC[C@H](O)CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420598995 535966645 /nfs/dbraw/zinc/96/66/45/535966645.db2.gz KNYPLSMLSFXGQE-VIFPVBQESA-N 0 0 281.312 1.657 20 5 CDBDRN CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000103204146 536370526 /nfs/dbraw/zinc/37/05/26/536370526.db2.gz IIZYFXXZDQPJDU-UHFFFAOYSA-N 0 0 293.323 1.468 20 5 CDBDRN CN(C[C@H]1CCC[C@@H]1O)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420616208 536448711 /nfs/dbraw/zinc/44/87/11/536448711.db2.gz RHYKYMALGPXPTC-SKDRFNHKSA-N 0 0 293.323 1.291 20 5 CDBDRN COC(=O)[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000412760625 536823142 /nfs/dbraw/zinc/82/31/42/536823142.db2.gz SXEOZAPJOMNEQH-WAAGHKOSSA-N 0 0 296.254 1.415 20 5 CDBDRN CS[C@H](CO)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000131089474 545498876 /nfs/dbraw/zinc/49/88/76/545498876.db2.gz YTFHJGWXWKPQBC-POYBYMJQSA-N 0 0 274.298 1.030 20 5 CDBDRN C[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000337165336 538435934 /nfs/dbraw/zinc/43/59/34/538435934.db2.gz XMIUAWUOHBMFPA-JGVFFNPUSA-N 0 0 252.274 1.247 20 5 CDBDRN COc1cc(C(=O)O[C@H](C(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000725945256 574475213 /nfs/dbraw/zinc/47/52/13/574475213.db2.gz JTFCSFPHVQBUDQ-NSHDSACASA-N 0 0 296.279 1.270 20 5 CDBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cn[nH]c1 ZINC000726193944 574493999 /nfs/dbraw/zinc/49/39/99/574493999.db2.gz RECBVLZEECYYRK-UHFFFAOYSA-N 0 0 298.262 1.960 20 5 CDBDRN CCC(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000727182846 574554134 /nfs/dbraw/zinc/55/41/34/574554134.db2.gz BKQYWVFEDNAWNK-UHFFFAOYSA-N 0 0 295.247 1.502 20 5 CDBDRN COCCc1noc(COc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000728787189 574646771 /nfs/dbraw/zinc/64/67/71/574646771.db2.gz LAEWVNRCPXCAJP-UHFFFAOYSA-N 0 0 297.242 1.885 20 5 CDBDRN CC(C)c1nnnn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000728910518 574673387 /nfs/dbraw/zinc/67/33/87/574673387.db2.gz NLIQALBNNQMBGA-UHFFFAOYSA-N 0 0 265.248 1.892 20 5 CDBDRN CC(=O)N(C)CC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728991058 574681834 /nfs/dbraw/zinc/68/18/34/574681834.db2.gz CJXWGLPDZLTCAQ-UHFFFAOYSA-N 0 0 284.243 1.255 20 5 CDBDRN CCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)OC ZINC000752510627 574707211 /nfs/dbraw/zinc/70/72/11/574707211.db2.gz YXSVUZRTDDCUAB-SNVBAGLBSA-N 0 0 297.311 1.775 20 5 CDBDRN COC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000729514271 574814057 /nfs/dbraw/zinc/81/40/57/574814057.db2.gz VKONVOFWACAWJV-UHFFFAOYSA-N 0 0 293.323 1.736 20 5 CDBDRN Cc1ccc(C(=O)NCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000730093414 574847430 /nfs/dbraw/zinc/84/74/30/574847430.db2.gz NSKNVTAKRMVPHO-GOSISDBHSA-N 0 0 270.310 1.012 20 5 CDBDRN O=C(NC[C@@H](O)c1ccco1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731454483 575050379 /nfs/dbraw/zinc/05/03/79/575050379.db2.gz ZBWMXNMGXLKZSR-LLVKDONJSA-N 0 0 294.238 1.790 20 5 CDBDRN COC1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000733968160 575150186 /nfs/dbraw/zinc/15/01/86/575150186.db2.gz NDOIQAJJIMZEKN-UHFFFAOYSA-N 0 0 295.251 1.282 20 5 CDBDRN O=C(COC(=O)C1=COCC1)Nc1ccccc1[N+](=O)[O-] ZINC000734193657 575162317 /nfs/dbraw/zinc/16/23/17/575162317.db2.gz ZITPRWFYBGGXRU-UHFFFAOYSA-N 0 0 292.247 1.381 20 5 CDBDRN COC(=O)C[C@H](C)OC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000774205873 575188909 /nfs/dbraw/zinc/18/89/09/575188909.db2.gz BHWKHAHYWGCCQU-QMMMGPOBSA-N 0 0 297.263 1.712 20 5 CDBDRN Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)NC1CC1)CC2 ZINC000774542217 575213674 /nfs/dbraw/zinc/21/36/74/575213674.db2.gz NZTTYDOTMSRGSG-UHFFFAOYSA-N 0 0 275.308 1.544 20 5 CDBDRN COc1cc(OCC(=O)OCCCF)ccc1[N+](=O)[O-] ZINC000741439682 576558205 /nfs/dbraw/zinc/55/82/05/576558205.db2.gz CGAIYQOCAOSUEZ-UHFFFAOYSA-N 0 0 287.243 1.885 20 5 CDBDRN C[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770006187 575409596 /nfs/dbraw/zinc/40/95/96/575409596.db2.gz HFTWPPZSYARIBS-ZCFIWIBFSA-N 0 0 273.676 1.751 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[S@@](C)=O ZINC000735044754 575412327 /nfs/dbraw/zinc/41/23/27/575412327.db2.gz CANCSIKSBIGHLT-GOSISDBHSA-N 0 0 270.310 1.012 20 5 CDBDRN C[S@](=O)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000735050523 575418906 /nfs/dbraw/zinc/41/89/06/575418906.db2.gz CSQWHQYXLLCGCP-FQEVSTJZSA-N 0 0 295.320 1.184 20 5 CDBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NN1CCCC1=O ZINC000770537942 575462314 /nfs/dbraw/zinc/46/23/14/575462314.db2.gz QZLWJTQKFHQTOB-UHFFFAOYSA-N 0 0 292.295 1.050 20 5 CDBDRN COC(=O)c1cc(C(=O)OC[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000770675076 575483955 /nfs/dbraw/zinc/48/39/55/575483955.db2.gz GSHHRGAGZONCIH-MRVPVSSYSA-N 0 0 297.263 1.573 20 5 CDBDRN Cc1nonc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000735902499 575532419 /nfs/dbraw/zinc/53/24/19/575532419.db2.gz ZDBPQSQGISIQJX-UHFFFAOYSA-N 0 0 292.251 1.442 20 5 CDBDRN Cc1nonc1COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000735902301 575532626 /nfs/dbraw/zinc/53/26/26/575532626.db2.gz VMRQJASCQQLWNR-UHFFFAOYSA-N 0 0 277.236 1.952 20 5 CDBDRN C[C@H]1OCC[C@H]1OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771052942 575540465 /nfs/dbraw/zinc/54/04/65/575540465.db2.gz RIRNKXMJQGWKOY-GMSGAONNSA-N 0 0 295.247 1.658 20 5 CDBDRN CN1C[C@@H](COC(=O)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000772757591 575748629 /nfs/dbraw/zinc/74/86/29/575748629.db2.gz HTIRUIPMPNBRCD-JTQLQIEISA-N 0 0 292.291 1.159 20 5 CDBDRN CON(C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000773180209 575789074 /nfs/dbraw/zinc/78/90/74/575789074.db2.gz PDSLEJWQBQGREL-UHFFFAOYSA-N 0 0 267.285 1.126 20 5 CDBDRN C[C@H]1CCC[C@H](C)N1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000773389355 575806262 /nfs/dbraw/zinc/80/62/62/575806262.db2.gz PZJQHOQJGOVQLG-QWRGUYRKSA-N 0 0 295.343 1.476 20 5 CDBDRN Cn1cc([C@H](O)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000773691399 575833956 /nfs/dbraw/zinc/83/39/56/575833956.db2.gz FTWCQAMXFQCEQB-NSHDSACASA-N 0 0 276.252 1.000 20 5 CDBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC(=O)N1)CC2 ZINC000773990719 575847114 /nfs/dbraw/zinc/84/71/14/575847114.db2.gz FNGGPYDLWJLKLD-SNVBAGLBSA-N 0 0 289.291 1.071 20 5 CDBDRN NC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000764322958 575899736 /nfs/dbraw/zinc/89/97/36/575899736.db2.gz HYGGJBIMAIPFMU-UHFFFAOYSA-N 0 0 297.698 1.386 20 5 CDBDRN COCCC(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766194083 576084808 /nfs/dbraw/zinc/08/48/08/576084808.db2.gz CTOURQPRNGKRTH-UHFFFAOYSA-N 0 0 287.243 1.822 20 5 CDBDRN COc1cc(COC(=O)[C@@H](O)C2CC2)c([N+](=O)[O-])cc1F ZINC000766200908 576085473 /nfs/dbraw/zinc/08/54/73/576085473.db2.gz JQNHDWDMMKSELS-LBPRGKRZSA-N 0 0 299.254 1.557 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CCCOC1 ZINC000766307831 576093952 /nfs/dbraw/zinc/09/39/52/576093952.db2.gz MKGODZWNEGAGCV-LLVKDONJSA-N 0 0 297.311 1.460 20 5 CDBDRN Cc1nc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000766506333 576109203 /nfs/dbraw/zinc/10/92/03/576109203.db2.gz LEGBZWDERKOSAN-UHFFFAOYSA-N 0 0 292.251 1.095 20 5 CDBDRN Cc1ncsc1CCOC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766617111 576116223 /nfs/dbraw/zinc/11/62/23/576116223.db2.gz CIRHKBACABVQAC-UHFFFAOYSA-N 0 0 296.308 1.493 20 5 CDBDRN COC(=O)C1(C(=O)OCc2ccccc2[N+](=O)[O-])CC1 ZINC000766833935 576138064 /nfs/dbraw/zinc/13/80/64/576138064.db2.gz LULZLBLMXYCMDM-UHFFFAOYSA-N 0 0 279.248 1.591 20 5 CDBDRN CCc1cccnc1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000767053148 576156289 /nfs/dbraw/zinc/15/62/89/576156289.db2.gz LZOMHTBFMPPBAL-UHFFFAOYSA-N 0 0 290.279 1.606 20 5 CDBDRN O=[N+]([O-])c1c(NCC(F)(F)CO)nc2ccccn21 ZINC000767214493 576169033 /nfs/dbraw/zinc/16/90/33/576169033.db2.gz YWFSVCQUUREQDD-UHFFFAOYSA-N 0 0 272.211 1.282 20 5 CDBDRN COC(=O)c1ccc(OCCC2OCCO2)cc1[N+](=O)[O-] ZINC000767455796 576195262 /nfs/dbraw/zinc/19/52/62/576195262.db2.gz XQNXHVVEMMPZMV-UHFFFAOYSA-N 0 0 297.263 1.523 20 5 CDBDRN O=[N+]([O-])c1c(NC2(CO)CCC2)nc2ccccn21 ZINC000767825575 576232213 /nfs/dbraw/zinc/23/22/13/576232213.db2.gz YVEIGLHFWSIEAE-UHFFFAOYSA-N 0 0 262.269 1.569 20 5 CDBDRN Cc1cc(COC(=O)Cc2ccccc2[N+](=O)[O-])nn1C ZINC000767982739 576246794 /nfs/dbraw/zinc/24/67/94/576246794.db2.gz MLECHAQNYFIVEY-UHFFFAOYSA-N 0 0 289.291 1.923 20 5 CDBDRN O=c1c([N+](=O)[O-])cn([C@@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000768463271 576286951 /nfs/dbraw/zinc/28/69/51/576286951.db2.gz RSRMLBDFKSEQDV-MRVPVSSYSA-N 0 0 265.225 1.946 20 5 CDBDRN Cn1ncnc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000768812688 576309781 /nfs/dbraw/zinc/30/97/81/576309781.db2.gz KGGWCOPEXRAKST-UHFFFAOYSA-N 0 0 296.670 1.734 20 5 CDBDRN COc1cc(C(=O)OCc2cn(C)nn2)ccc1[N+](=O)[O-] ZINC000759585169 576407869 /nfs/dbraw/zinc/40/78/69/576407869.db2.gz OJWFXOZKDADAAN-UHFFFAOYSA-N 0 0 292.251 1.089 20 5 CDBDRN COC(=O)C[C@@H](C)OC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000760327066 576476696 /nfs/dbraw/zinc/47/66/96/576476696.db2.gz NFSOEPZQPLSJQY-MRVPVSSYSA-N 0 0 297.263 1.712 20 5 CDBDRN CS(=O)(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760495048 576488848 /nfs/dbraw/zinc/48/88/48/576488848.db2.gz RXZJOHYJWFSORI-UHFFFAOYSA-N 0 0 284.337 1.608 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCCOC1 ZINC000760772712 576508657 /nfs/dbraw/zinc/50/86/57/576508657.db2.gz KTWGNFLESFEUPY-QMMMGPOBSA-N 0 0 281.268 1.155 20 5 CDBDRN O=C(OCc1ccccc1[N+](=O)[O-])c1cncnc1 ZINC000760802442 576511282 /nfs/dbraw/zinc/51/12/82/576511282.db2.gz KWBPBAXPXXQAHO-UHFFFAOYSA-N 0 0 259.221 1.742 20 5 CDBDRN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000761349464 576570429 /nfs/dbraw/zinc/57/04/29/576570429.db2.gz PLVOBLWCFHATNQ-UHFFFAOYSA-N 0 0 280.280 1.490 20 5 CDBDRN CC(C)[C@H](C)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761408432 576574594 /nfs/dbraw/zinc/57/45/94/576574594.db2.gz XVOHJKFEINDGIN-JTQLQIEISA-N 0 0 282.296 1.592 20 5 CDBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)C1=CCCC1 ZINC000761553887 576582303 /nfs/dbraw/zinc/58/23/03/576582303.db2.gz AOIKNTLWEGZLPT-UHFFFAOYSA-N 0 0 251.242 1.445 20 5 CDBDRN Cc1nonc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742419752 576602138 /nfs/dbraw/zinc/60/21/38/576602138.db2.gz NTSQZGQCOMJZNO-UHFFFAOYSA-N 0 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C[C@H](c1nnc(N(C)C[C@H]2CCCOC2)n1C)[N+](=O)[O-] ZINC001121296321 937865880 /nfs/dbraw/zinc/86/58/80/937865880.db2.gz HPHXKWFMIRRRGW-NXEZZACHSA-N 0 0 283.332 1.016 20 5 CDBDRN O=C1CC[C@@H](CNc2cc(Cl)cc([N+](=O)[O-])n2)N1 ZINC001156145251 938324960 /nfs/dbraw/zinc/32/49/60/938324960.db2.gz XPOHIOGOMFWPBT-ZETCQYMHSA-N 0 0 270.676 1.334 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2nccn2C)c1 ZINC001156287700 938348391 /nfs/dbraw/zinc/34/83/91/938348391.db2.gz PHLYPSKYCFERCS-UHFFFAOYSA-N 0 0 274.280 1.913 20 5 CDBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCn1cccc1 ZINC001156299098 938349699 /nfs/dbraw/zinc/34/96/99/938349699.db2.gz GUUCVFRJWFHYMJ-UHFFFAOYSA-N 0 0 262.269 1.450 20 5 CDBDRN CC(C)O[C@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOC1 ZINC001156354237 938356898 /nfs/dbraw/zinc/35/68/98/938356898.db2.gz VSHMLPGGRANNRG-ZDUSSCGKSA-N 0 0 298.295 1.502 20 5 CDBDRN Cc1nc(NCc2ccccc2C(N)=O)ncc1[N+](=O)[O-] ZINC001156476182 938372175 /nfs/dbraw/zinc/37/21/75/938372175.db2.gz BCHJZYQSGNOOMF-UHFFFAOYSA-N 0 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ZINC000183710691 189366699 /nfs/dbraw/zinc/36/66/99/189366699.db2.gz BPICWDJTYPPGPV-UHFFFAOYSA-N 0 0 292.335 1.758 20 5 CDBDRN CCCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184076217 189375465 /nfs/dbraw/zinc/37/54/65/189375465.db2.gz FZTOSCJOXOQLSL-UHFFFAOYSA-N 0 0 272.326 1.814 20 5 CDBDRN C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000184132601 189376944 /nfs/dbraw/zinc/37/69/44/189376944.db2.gz JEBYLOWZEBDOLW-SECBINFHSA-N 0 0 284.337 1.813 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC2(CC2)C1 ZINC000184133276 189377048 /nfs/dbraw/zinc/37/70/48/189377048.db2.gz CCTSXHFMSMDPJV-UHFFFAOYSA-N 0 0 278.312 1.584 20 5 CDBDRN COc1cc(CN2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000184357114 189383888 /nfs/dbraw/zinc/38/38/88/189383888.db2.gz NBAKXRIWGYZMPS-UWVGGRQHSA-N 0 0 298.314 1.945 20 5 CDBDRN CC(C)NC(=O)c1ccc(N[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000301778184 201192843 /nfs/dbraw/zinc/19/28/43/201192843.db2.gz PZDMRHRWGQYPOT-NSHDSACASA-N 0 0 293.323 1.934 20 5 CDBDRN Nc1nc(N2CCC[C@@H]2c2ccncc2)ncc1[N+](=O)[O-] ZINC000270933749 283687711 /nfs/dbraw/zinc/68/77/11/283687711.db2.gz LFOJQAIQFPNZEQ-SNVBAGLBSA-N 0 0 286.295 1.704 20 5 CDBDRN C[C@@H](CCCO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184491716 189386895 /nfs/dbraw/zinc/38/68/95/189386895.db2.gz SJHUIGODKQHZLY-QMMMGPOBSA-N 0 0 267.285 1.068 20 5 CDBDRN CS[C@@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184507395 189388016 /nfs/dbraw/zinc/38/80/16/189388016.db2.gz JWHADEHELDSYRA-CPCISQLKSA-N 0 0 299.352 1.019 20 5 CDBDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000184953648 189399615 /nfs/dbraw/zinc/39/96/15/189399615.db2.gz AYCGEJGZMSQGFJ-ZYHUDNBSSA-N 0 0 295.343 1.621 20 5 CDBDRN CCc1nnc(Sc2sccc2[N+](=O)[O-])n1N ZINC000301981396 201286502 /nfs/dbraw/zinc/28/65/02/201286502.db2.gz BAKYPHPYOVDJBX-UHFFFAOYSA-N 0 0 271.327 1.675 20 5 CDBDRN COCC[C@H](CO)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281667191 239112059 /nfs/dbraw/zinc/11/20/59/239112059.db2.gz OQLIBLMVJDTXGQ-LLVKDONJSA-N 0 0 282.296 1.030 20 5 CDBDRN Cc1cc(OS(=O)(=O)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000185971345 189426833 /nfs/dbraw/zinc/42/68/33/189426833.db2.gz KVFYASHUKKLOFI-UHFFFAOYSA-N 0 0 275.257 1.913 20 5 CDBDRN CC(=O)Nc1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000302091039 201339403 /nfs/dbraw/zinc/33/94/03/201339403.db2.gz GZFNCTPHXIPAFB-UHFFFAOYSA-N 0 0 287.279 1.955 20 5 CDBDRN CC(C)(O)[C@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302119235 201350391 /nfs/dbraw/zinc/35/03/91/201350391.db2.gz FIDHJEBUZYAXLW-SECBINFHSA-N 0 0 291.311 1.377 20 5 CDBDRN COc1cc(CNc2ncc([N+](=O)[O-])cn2)ccc1O ZINC000302151952 201369710 /nfs/dbraw/zinc/36/97/10/201369710.db2.gz KWVRFYXBAXXTKE-UHFFFAOYSA-N 0 0 276.252 1.711 20 5 CDBDRN Cc1cccn2cc(CNc3ncc([N+](=O)[O-])cn3)nc12 ZINC000302203727 201393758 /nfs/dbraw/zinc/39/37/58/201393758.db2.gz CBWNLPXTIZQIDN-UHFFFAOYSA-N 0 0 284.279 1.953 20 5 CDBDRN O=C(Nc1cc(C2CC2)ccn1)c1cc([N+](=O)[O-])n[nH]1 ZINC000291862375 239261622 /nfs/dbraw/zinc/26/16/22/239261622.db2.gz FOOACMZZIGULCB-UHFFFAOYSA-N 0 0 273.252 1.843 20 5 CDBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCn2nccc21 ZINC000367500752 363940320 /nfs/dbraw/zinc/94/03/20/363940320.db2.gz QCVAEEIYGTZJJK-UHFFFAOYSA-N 0 0 276.227 1.591 20 5 CDBDRN O=[N+]([O-])c1cccnc1N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000367517093 363945974 /nfs/dbraw/zinc/94/59/74/363945974.db2.gz JNLLTDXPHNVGHX-GWCFXTLKSA-N 0 0 279.296 1.740 20 5 CDBDRN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cc(F)c2=O)C[C@H](C)O1 ZINC000580572384 363924478 /nfs/dbraw/zinc/92/44/78/363924478.db2.gz UOROSWQTHQWGLG-AOOOYVTPSA-N 0 0 299.302 1.005 20 5 CDBDRN CC[C@@H](Cn1cnc2sc([N+](=O)[O-])cc2c1=O)OC ZINC000581488117 363997692 /nfs/dbraw/zinc/99/76/92/363997692.db2.gz NJTMFBXIIVFDCW-ZETCQYMHSA-N 0 0 283.309 1.791 20 5 CDBDRN COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000581403986 363984101 /nfs/dbraw/zinc/98/41/01/363984101.db2.gz JPTKKXIJGWDTII-DTWKUNHWSA-N 0 0 295.295 1.005 20 5 CDBDRN Nc1c(C(=O)N[C@@H]2C[C@H]2C(F)F)cc(F)cc1[N+](=O)[O-] ZINC000345823473 364024195 /nfs/dbraw/zinc/02/41/95/364024195.db2.gz RGRBPZHIHYCVMB-IYSWYEEDSA-N 0 0 289.213 1.700 20 5 CDBDRN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088058905 364049728 /nfs/dbraw/zinc/04/97/28/364049728.db2.gz CHGGTQGCELZYFU-ZETCQYMHSA-N 0 0 255.299 1.090 20 5 CDBDRN CC(C)(C)[C@@H](CO)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000192880031 364050782 /nfs/dbraw/zinc/05/07/82/364050782.db2.gz XAFYHEJIBFQIJI-GFCCVEGCSA-N 0 0 296.323 1.497 20 5 CDBDRN CCOCCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000130050422 370713455 /nfs/dbraw/zinc/71/34/55/370713455.db2.gz MCWFODQQTFDOGI-LBPRGKRZSA-N 0 0 295.339 1.930 20 5 CDBDRN CO[C@@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000189062287 189522165 /nfs/dbraw/zinc/52/21/65/189522165.db2.gz NEBYGHUOKAONTQ-VIFPVBQESA-N 0 0 293.323 1.934 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOCC2)c1 ZINC000088147527 364247794 /nfs/dbraw/zinc/24/77/94/364247794.db2.gz NVKSAOAIPNAERP-UHFFFAOYSA-N 0 0 250.254 1.376 20 5 CDBDRN NC(=O)[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269626307 364271056 /nfs/dbraw/zinc/27/10/56/364271056.db2.gz JTQQJDLEFNQZPD-SSDOTTSWSA-N 0 0 285.250 1.575 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCCCCCO ZINC000193058868 364280349 /nfs/dbraw/zinc/28/03/49/364280349.db2.gz MAUJBSJYSURUKT-UHFFFAOYSA-N 0 0 282.296 1.252 20 5 CDBDRN COCCN(CCO)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000151892221 364594271 /nfs/dbraw/zinc/59/42/71/364594271.db2.gz ULZAAQMTKVRFLS-UHFFFAOYSA-N 0 0 288.325 1.046 20 5 CDBDRN CCOC(=O)CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000042693839 364609663 /nfs/dbraw/zinc/60/96/63/364609663.db2.gz SHENNMPTAAQZDU-UHFFFAOYSA-N 0 0 280.280 1.538 20 5 CDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(c2cn[nH]c2)CC1 ZINC000367060405 364718638 /nfs/dbraw/zinc/71/86/38/364718638.db2.gz PNKJTHKQSDNZOX-UHFFFAOYSA-N 0 0 290.283 1.061 20 5 CDBDRN C[C@H](CCCO)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000088330031 364772156 /nfs/dbraw/zinc/77/21/56/364772156.db2.gz GAMRTHWSSYZDAU-SECBINFHSA-N 0 0 267.285 1.877 20 5 CDBDRN CC(C)Oc1cc(C(=O)NC[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000412196262 240076555 /nfs/dbraw/zinc/07/65/55/240076555.db2.gz DGIJNXBCTHLPBV-SNVBAGLBSA-N 0 0 296.323 1.740 20 5 CDBDRN CC(C)[C@@H](CO)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000345920603 364948057 /nfs/dbraw/zinc/94/80/57/364948057.db2.gz BRRAKHHZFWNICO-CYBMUJFWSA-N 0 0 294.351 1.908 20 5 CDBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](O)C1 ZINC000412409028 240198861 /nfs/dbraw/zinc/19/88/61/240198861.db2.gz MPCZUHYITMPIRI-SGMGOOAPSA-N 0 0 292.335 1.803 20 5 CDBDRN COCC1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000412700200 240323976 /nfs/dbraw/zinc/32/39/76/240323976.db2.gz YAEOAYWHXPFPTD-UHFFFAOYSA-N 0 0 296.327 1.263 20 5 CDBDRN Cn1cccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000340955789 365007725 /nfs/dbraw/zinc/00/77/25/365007725.db2.gz QCAVGCYCAMRMQW-UHFFFAOYSA-N 0 0 288.307 1.933 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccco1 ZINC000180492362 365010507 /nfs/dbraw/zinc/01/05/07/365010507.db2.gz HJPGOXBYKUOEQQ-UHFFFAOYSA-N 0 0 262.225 1.095 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccncc1 ZINC000180506727 365012003 /nfs/dbraw/zinc/01/20/03/365012003.db2.gz AWFDXWLOGAQKMV-UHFFFAOYSA-N 0 0 259.225 1.219 20 5 CDBDRN CC[C@@H](O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268654177 365273823 /nfs/dbraw/zinc/27/38/23/365273823.db2.gz BYGPBYPKCLKPOA-SNVBAGLBSA-N 0 0 291.307 1.967 20 5 CDBDRN Cc1nc(N[C@H](C)c2ccn(C)n2)ncc1[N+](=O)[O-] ZINC000413442489 240689374 /nfs/dbraw/zinc/68/93/74/240689374.db2.gz AFKFBAWAZWHZQL-SSDOTTSWSA-N 0 0 262.273 1.600 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C(N)=O ZINC000295982583 370816586 /nfs/dbraw/zinc/81/65/86/370816586.db2.gz PUVDGDSACCNDDW-UHFFFAOYSA-N 0 0 279.296 1.239 20 5 CDBDRN CC(C)CN1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1=O ZINC000548286088 366884198 /nfs/dbraw/zinc/88/41/98/366884198.db2.gz IHIHCADOJRDJAV-NSHDSACASA-N 0 0 292.339 1.683 20 5 CDBDRN Cc1nc(N[C@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000413534657 240746569 /nfs/dbraw/zinc/74/65/69/240746569.db2.gz DARJYJJUFMADBL-WDEREUQCSA-N 0 0 281.312 1.498 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC[C@@](C)(O)C(F)(F)F ZINC000270443640 366880463 /nfs/dbraw/zinc/88/04/63/366880463.db2.gz GKKFMTNBCLNNGT-SSDOTTSWSA-N 0 0 268.195 1.054 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](CO)[C@@H]1C ZINC000413601277 240793474 /nfs/dbraw/zinc/79/34/74/240793474.db2.gz ZZJXWMMRYKUFLI-GXSJLCMTSA-N 0 0 282.344 1.717 20 5 CDBDRN COc1cc(NCCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000111045953 365389758 /nfs/dbraw/zinc/38/97/58/365389758.db2.gz LXSLNDIHUHAXOU-UHFFFAOYSA-N 0 0 281.312 1.348 20 5 CDBDRN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ncn(C)n1 ZINC000275819704 193138225 /nfs/dbraw/zinc/13/82/25/193138225.db2.gz MOPZIIQZFITNKK-MRVPVSSYSA-N 0 0 279.275 1.713 20 5 CDBDRN CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270567211 366901571 /nfs/dbraw/zinc/90/15/71/366901571.db2.gz NOKMZEULTQXIQQ-DGCLKSJQSA-N 0 0 278.308 1.367 20 5 CDBDRN C[C@@H]1CC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)=NO1 ZINC000270881917 366940945 /nfs/dbraw/zinc/94/09/45/366940945.db2.gz YLIOBMGECSHLEW-SSDOTTSWSA-N 0 0 297.242 1.351 20 5 CDBDRN CC[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270608548 366909746 /nfs/dbraw/zinc/90/97/46/366909746.db2.gz MADMFEMJEXWKRJ-JQWIXIFHSA-N 0 0 294.307 1.203 20 5 CDBDRN CN(COc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000270640139 366913947 /nfs/dbraw/zinc/91/39/47/366913947.db2.gz IWCOQFVJFGNHRZ-UHFFFAOYSA-N 0 0 294.716 1.476 20 5 CDBDRN Cc1nccn1CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000270691713 366919920 /nfs/dbraw/zinc/91/99/20/366919920.db2.gz XVSAYKIJQYERIH-UHFFFAOYSA-N 0 0 262.269 1.270 20 5 CDBDRN O=C(NCC1CCSCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000270738993 366928104 /nfs/dbraw/zinc/92/81/04/366928104.db2.gz PTRYGHZPQAXLIP-UHFFFAOYSA-N 0 0 270.314 1.191 20 5 CDBDRN CCN1C(=O)C(C)(C)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000414187524 241106184 /nfs/dbraw/zinc/10/61/84/241106184.db2.gz DNCPICNWHRVZNB-GFCCVEGCSA-N 0 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1.255 20 5 CDBDRN CC(=O)OCCCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000268593037 391381182 /nfs/dbraw/zinc/38/11/82/391381182.db2.gz GHERPRFBYDAEBN-UHFFFAOYSA-N 0 0 288.687 1.753 20 5 CDBDRN C[C@@H]1C[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CO1 ZINC000439245740 391556119 /nfs/dbraw/zinc/55/61/19/391556119.db2.gz KAGNIHZIMZXHNG-GHMZBOCLSA-N 0 0 293.323 1.548 20 5 CDBDRN O=C1CCCN1[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000521103499 391624060 /nfs/dbraw/zinc/62/40/60/391624060.db2.gz SGCYOFHALZKCOB-LLVKDONJSA-N 0 0 290.323 1.581 20 5 CDBDRN CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000137342123 391629470 /nfs/dbraw/zinc/62/94/70/391629470.db2.gz IKKFVHYIUHSVSD-UHFFFAOYSA-N 0 0 253.233 1.012 20 5 CDBDRN CN1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000292476670 391648420 /nfs/dbraw/zinc/64/84/20/391648420.db2.gz LNADVUZJIVZAEA-UHFFFAOYSA-N 0 0 269.688 1.527 20 5 CDBDRN CC[C@H]1C[C@@H](C)CN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000519612829 391742818 /nfs/dbraw/zinc/74/28/18/391742818.db2.gz MICQRNIBPBGISN-ZJUUUORDSA-N 0 0 292.339 1.714 20 5 CDBDRN CNc1c(C(=O)N(C)[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000341820695 130056666 /nfs/dbraw/zinc/05/66/66/130056666.db2.gz LKVMCOYZPMXFNE-PWSUYJOCSA-N 0 0 293.323 1.622 20 5 CDBDRN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccn1 ZINC000341819969 130057197 /nfs/dbraw/zinc/05/71/97/130057197.db2.gz TUBLPTSHCRSCHO-ZETCQYMHSA-N 0 0 260.257 1.365 20 5 CDBDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000458110341 391754579 /nfs/dbraw/zinc/75/45/79/391754579.db2.gz GAHBVFBYOGWWIK-GZMMTYOYSA-N 0 0 252.274 1.482 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000341927000 130157987 /nfs/dbraw/zinc/15/79/87/130157987.db2.gz NSXDVTYPUVATSX-NXEZZACHSA-N 0 0 281.312 1.282 20 5 CDBDRN CCN(C)C(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185763786 391793040 /nfs/dbraw/zinc/79/30/40/391793040.db2.gz ISDSCQMQLQHZML-UHFFFAOYSA-N 0 0 280.284 1.195 20 5 CDBDRN Cn1c(C(=O)N[C@@H]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000407982613 391793814 /nfs/dbraw/zinc/79/38/14/391793814.db2.gz IGMYQZSDHZIITE-SECBINFHSA-N 0 0 281.312 1.621 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[S@@](=O)[C@@H](C)C1 ZINC000356817322 391935888 /nfs/dbraw/zinc/93/58/88/391935888.db2.gz OWMSNIDPUVOAGC-NIVTXAMTSA-N 0 0 269.326 1.255 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C(=O)[C@H]2C)c1 ZINC000494769850 391901407 /nfs/dbraw/zinc/90/14/07/391901407.db2.gz XEAMWSAWBCUANH-SNVBAGLBSA-N 0 0 291.307 1.206 20 5 CDBDRN Cc1cc(N2CCC3(COC(=O)N3)CC2)ccc1[N+](=O)[O-] ZINC000495248199 391908117 /nfs/dbraw/zinc/90/81/17/391908117.db2.gz AALMLGYZUWBGLT-UHFFFAOYSA-N 0 0 291.307 1.982 20 5 CDBDRN CN1C[C@@H](COC(=O)c2ccc([N+](=O)[O-])s2)OC1=O ZINC000495593532 391911279 /nfs/dbraw/zinc/91/12/79/391911279.db2.gz CGNPKXPBFIEXLD-LURJTMIESA-N 0 0 286.265 1.264 20 5 CDBDRN Cc1cscc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354199085 391916910 /nfs/dbraw/zinc/91/69/10/391916910.db2.gz BUZRXYDEDREUNK-UHFFFAOYSA-N 0 0 252.255 1.940 20 5 CDBDRN O=C(C=Cc1cccc([N+](=O)[O-])c1)OC[C@@H]1CNC(=O)O1 ZINC000496478881 391922241 /nfs/dbraw/zinc/92/22/41/391922241.db2.gz JJFZEEUJRSHVDJ-WYGGZMRJSA-N 0 0 292.247 1.260 20 5 CDBDRN C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CCS1 ZINC000191938239 391982029 /nfs/dbraw/zinc/98/20/29/391982029.db2.gz BHWGQDOOVPKVHX-QMMMGPOBSA-N 0 0 284.341 1.296 20 5 CDBDRN Cc1cc(N2CCCC3(C2)OCCO3)ncc1[N+](=O)[O-] ZINC000134218682 391941396 /nfs/dbraw/zinc/94/13/96/391941396.db2.gz VCHMNISETYELGX-UHFFFAOYSA-N 0 0 279.296 1.642 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)C(=O)C2)c1 ZINC000194197615 392142855 /nfs/dbraw/zinc/14/28/55/392142855.db2.gz PKWSRSXFQRBWLB-SNVBAGLBSA-N 0 0 291.307 1.254 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CO)C1 ZINC000052813197 392103375 /nfs/dbraw/zinc/10/33/75/392103375.db2.gz GUZRJCLWRWQZDW-JTQLQIEISA-N 0 0 251.286 1.507 20 5 CDBDRN COc1ccc(CN(C)c2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000301106795 392195808 /nfs/dbraw/zinc/19/58/08/392195808.db2.gz ROTUMYQWKQMIFZ-UHFFFAOYSA-N 0 0 289.295 1.612 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(CC)C(=O)C1 ZINC000192883832 392369764 /nfs/dbraw/zinc/36/97/64/392369764.db2.gz HSABFIJVSWRBSD-UHFFFAOYSA-N 0 0 295.343 1.178 20 5 CDBDRN COc1cc(C(=O)NCCOCC2CC2)ccc1[N+](=O)[O-] ZINC000264477625 131458907 /nfs/dbraw/zinc/45/89/07/131458907.db2.gz PIYPIEUVMVBPEC-UHFFFAOYSA-N 0 0 294.307 1.760 20 5 CDBDRN O=C(NCCc1ccc2[nH]ccc2c1)c1[nH]ncc1[N+](=O)[O-] ZINC000442999482 392514163 /nfs/dbraw/zinc/51/41/63/392514163.db2.gz HKONXXCDXLDSOM-UHFFFAOYSA-N 0 0 299.290 1.772 20 5 CDBDRN C[C@@H](NC(=O)NC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000271635168 392596599 /nfs/dbraw/zinc/59/65/99/392596599.db2.gz QDKJWLCDUXSRGY-GHMZBOCLSA-N 0 0 293.323 1.992 20 5 CDBDRN CCc1nncn1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000524824275 392919761 /nfs/dbraw/zinc/91/97/61/392919761.db2.gz DLDWYZNESZADKN-UHFFFAOYSA-N 0 0 295.324 1.240 20 5 CDBDRN Cc1ccn(Cc2nc(C(C)(C)C)no2)c(=O)c1[N+](=O)[O-] ZINC000130067144 392867284 /nfs/dbraw/zinc/86/72/84/392867284.db2.gz QZCSHSRLHMIVRE-UHFFFAOYSA-N 0 0 292.295 1.794 20 5 CDBDRN CCCc1nnnn1Cc1ccc([N+](=O)[O-])cc1OC ZINC000521725040 392868886 /nfs/dbraw/zinc/86/88/86/392868886.db2.gz NLTZQBXHIANKSF-UHFFFAOYSA-N 0 0 277.284 1.591 20 5 CDBDRN CC(=O)N[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000421388938 392934580 /nfs/dbraw/zinc/93/45/80/392934580.db2.gz LJHJXAZXLBJSKJ-CYBMUJFWSA-N 0 0 277.324 1.614 20 5 CDBDRN CC(=O)N[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421395779 392934822 /nfs/dbraw/zinc/93/48/22/392934822.db2.gz VLOORMJZLHPDOZ-SDQPKGBYSA-N 0 0 289.335 1.818 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421504884 392936095 /nfs/dbraw/zinc/93/60/95/392936095.db2.gz BFABQMFRXIBFRE-CPCISQLKSA-N 0 0 250.258 1.457 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(N)=O ZINC000421527788 392936179 /nfs/dbraw/zinc/93/61/79/392936179.db2.gz UIPUGWSVKUQRGI-SECBINFHSA-N 0 0 279.296 1.205 20 5 CDBDRN NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000421683959 392942559 /nfs/dbraw/zinc/94/25/59/392942559.db2.gz VRKGFUDWYVIKSZ-RQJHMYQMSA-N 0 0 283.309 1.040 20 5 CDBDRN O=C(NCc1ncccc1F)c1cc([N+](=O)[O-])c[nH]1 ZINC000526031097 392946322 /nfs/dbraw/zinc/94/63/22/392946322.db2.gz NGSOAVULJXFYOK-UHFFFAOYSA-N 0 0 264.216 1.387 20 5 CDBDRN C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000424588708 392975205 /nfs/dbraw/zinc/97/52/05/392975205.db2.gz BWQUHTNWYRWVNQ-ZYHUDNBSSA-N 0 0 252.245 1.959 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)C[C@H]1F ZINC000424597627 392975300 /nfs/dbraw/zinc/97/53/00/392975300.db2.gz QJUKFICIWPTCDB-DGCLKSJQSA-N 0 0 282.271 1.968 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCOC1 ZINC000041373013 139604313 /nfs/dbraw/zinc/60/43/13/139604313.db2.gz FZZNKXUXJYBGGT-VIFPVBQESA-N 0 0 280.280 1.370 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CO)CC(F)F ZINC000430534773 393100513 /nfs/dbraw/zinc/10/05/13/393100513.db2.gz RXRMPSAWMVZDMA-VIFPVBQESA-N 0 0 288.250 1.270 20 5 CDBDRN COC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532134221 393067890 /nfs/dbraw/zinc/06/78/90/393067890.db2.gz NQTZAZPBECYJKV-QMMMGPOBSA-N 0 0 253.258 1.097 20 5 CDBDRN COC[C@@]1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449702744 393139990 /nfs/dbraw/zinc/13/99/90/393139990.db2.gz VDPLVQWTSDIQAA-AWEZNQCLSA-N 0 0 298.314 1.565 20 5 CDBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000391796259 393152187 /nfs/dbraw/zinc/15/21/87/393152187.db2.gz DSYUDBZTUXHQFY-VIFPVBQESA-N 0 0 261.285 1.574 20 5 CDBDRN C[S@@](=O)C1(CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000281854044 393158647 /nfs/dbraw/zinc/15/86/47/393158647.db2.gz ZKFZTCUDVXZESL-LJQANCHMSA-N 0 0 287.316 1.639 20 5 CDBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[S@]1=O ZINC000352255279 393218636 /nfs/dbraw/zinc/21/86/36/393218636.db2.gz DNOBOCKQKJMBSR-ULCDLSAGSA-N 0 0 289.744 1.600 20 5 CDBDRN COC(=O)[C@H](CF)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493843502 393222894 /nfs/dbraw/zinc/22/28/94/393222894.db2.gz KBTXVTVGHSNIAM-ZPMKCOPCSA-N 0 0 296.254 1.235 20 5 CDBDRN CC1(O)CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000216978858 393227717 /nfs/dbraw/zinc/22/77/17/393227717.db2.gz GIPATXGZUGKRCP-WAYWQWQTSA-N 0 0 262.265 1.201 20 5 CDBDRN Cc1cc(N2CCC[C@@H](CCO)C2)ncc1[N+](=O)[O-] ZINC000081275399 134497998 /nfs/dbraw/zinc/49/79/98/134497998.db2.gz WQAYAMAUNFQQSA-NSHDSACASA-N 0 0 265.313 1.897 20 5 CDBDRN COc1c(C(=O)N[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000137588109 139897914 /nfs/dbraw/zinc/89/79/14/139897914.db2.gz FFFCWJGQVDVBGH-MRVPVSSYSA-N 0 0 268.269 1.104 20 5 CDBDRN CCNC(=O)CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186000329 140052078 /nfs/dbraw/zinc/05/20/78/140052078.db2.gz DFWFKVJGMXSSFH-UHFFFAOYSA-N 0 0 297.336 1.183 20 5 CDBDRN CCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000186826400 140070227 /nfs/dbraw/zinc/07/02/27/140070227.db2.gz JAAKBQCLLOVQSL-UHFFFAOYSA-N 0 0 275.211 1.423 20 5 CDBDRN C/C=C/C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000187092888 140075473 /nfs/dbraw/zinc/07/54/73/140075473.db2.gz ARBQASVFYUBEMD-FSIBCCDJSA-N 0 0 294.307 1.660 20 5 CDBDRN Cn1cncc1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188390660 140093173 /nfs/dbraw/zinc/09/31/73/140093173.db2.gz IZWADDPEDFMRDC-UHFFFAOYSA-N 0 0 274.280 1.900 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H]1CO ZINC000189389127 140114808 /nfs/dbraw/zinc/11/48/08/140114808.db2.gz VWEDKPUMROJUKA-UFBFGSQYSA-N 0 0 279.296 1.141 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCOCC1 ZINC000193467433 140145051 /nfs/dbraw/zinc/14/50/51/140145051.db2.gz YIHAPIJGLFXFFZ-UHFFFAOYSA-N 0 0 295.295 1.904 20 5 CDBDRN Cn1cc(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000195245649 140151827 /nfs/dbraw/zinc/15/18/27/140151827.db2.gz ZBKIBOOSCZRWEE-UHFFFAOYSA-N 0 0 286.291 1.460 20 5 CDBDRN CN(C)C(=O)CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214017135 140160352 /nfs/dbraw/zinc/16/03/52/140160352.db2.gz QUODEJBQRBKLAN-UHFFFAOYSA-N 0 0 274.280 1.643 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCC(OCCO)CC2)s1 ZINC000226785372 140180810 /nfs/dbraw/zinc/18/08/10/140180810.db2.gz DEBRZWRXTUJKPK-UHFFFAOYSA-N 0 0 273.314 1.029 20 5 CDBDRN Cc1c(CN2C[C@H](CO)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000227397384 140183973 /nfs/dbraw/zinc/18/39/73/140183973.db2.gz WGXZFKQDWQZERO-ZWNOBZJWSA-N 0 0 280.324 1.485 20 5 CDBDRN Cc1nn(C)c(NC[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000228582138 140195520 /nfs/dbraw/zinc/19/55/20/140195520.db2.gz MUCNPMROVIQWGU-QMMMGPOBSA-N 0 0 256.331 1.802 20 5 CDBDRN COC(=O)CN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234534141 140229645 /nfs/dbraw/zinc/22/96/45/140229645.db2.gz AIKQHVNQDIRSAU-UHFFFAOYSA-N 0 0 293.201 1.618 20 5 CDBDRN COc1ccc(OC(=O)[C@@H]2CCC(=O)C2)c([N+](=O)[O-])c1 ZINC000842688480 724382552 /nfs/dbraw/zinc/38/25/52/724382552.db2.gz ORJIAXOARBCNRG-MRVPVSSYSA-N 0 0 279.248 1.878 20 5 CDBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCCO1 ZINC000276232363 296512156 /nfs/dbraw/zinc/51/21/56/296512156.db2.gz SKTWYQNJXSQSJE-UHFFFAOYSA-N 0 0 290.272 1.450 20 5 CDBDRN O=[N+]([O-])c1ncn(Cc2nc(C3CC3)cs2)n1 ZINC000342560527 140642908 /nfs/dbraw/zinc/64/29/08/140642908.db2.gz SFBGFOQILJYRIM-UHFFFAOYSA-N 0 0 251.271 1.569 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC[C@@]3(CCOC3)C2)s1 ZINC000190336295 296520319 /nfs/dbraw/zinc/52/03/19/296520319.db2.gz KWETVHJTWYMJPE-SNVBAGLBSA-N 0 0 255.299 1.668 20 5 CDBDRN O=c1c2ncccc2cnn1Cc1ccccc1[N+](=O)[O-] ZINC000075143510 296529942 /nfs/dbraw/zinc/52/99/42/296529942.db2.gz VIFKIQCXKBKWHN-UHFFFAOYSA-N 0 0 282.259 1.748 20 5 CDBDRN C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000361243826 397964278 /nfs/dbraw/zinc/96/42/78/397964278.db2.gz KAQQHBFYALPWGM-WOPDTQHZSA-N 0 0 294.355 1.980 20 5 CDBDRN Cc1cnc(N2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000167124348 292914596 /nfs/dbraw/zinc/91/45/96/292914596.db2.gz NHYWQRAJHZMBBA-KOLCDFICSA-N 0 0 251.286 1.505 20 5 CDBDRN O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1C=C[C@H](CO)C1 ZINC000352367746 155138564 /nfs/dbraw/zinc/13/85/64/155138564.db2.gz QNLCREZXWCFVSF-JQWIXIFHSA-N 0 0 285.303 1.914 20 5 CDBDRN 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/nfs/dbraw/zinc/28/86/31/967288631.db2.gz WGDVIWXVNVIYES-VHSXEESVSA-N 0 0 283.332 1.108 20 5 CDBDRN O=CN1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000847371787 967375730 /nfs/dbraw/zinc/37/57/30/967375730.db2.gz QAFAWTOCBCCCFR-UHFFFAOYSA-N 0 0 295.270 1.038 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000062844238 967543188 /nfs/dbraw/zinc/54/31/88/967543188.db2.gz SOPYVISUCBJGSP-UHFFFAOYSA-N 0 0 296.327 1.286 20 5 CDBDRN Nc1c(C(=O)NCc2ncccn2)cc(F)cc1[N+](=O)[O-] ZINC001352960796 967601613 /nfs/dbraw/zinc/60/16/13/967601613.db2.gz SBRXBGSTNHZKJP-UHFFFAOYSA-N 0 0 291.242 1.036 20 5 CDBDRN Cc1nn(CN2CC[C@H](CF)C2)c(C)c1[N+](=O)[O-] ZINC001353199014 967771011 /nfs/dbraw/zinc/77/10/11/967771011.db2.gz MFIBAQIRIVHPLV-SNVBAGLBSA-N 0 0 256.281 1.657 20 5 CDBDRN CC[C@@H](F)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001353376992 967934591 /nfs/dbraw/zinc/93/45/91/967934591.db2.gz GSECFJPIBCMCBO-SECBINFHSA-N 0 0 269.276 1.871 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C2(C)CC2)n1 ZINC001100370695 968145480 /nfs/dbraw/zinc/14/54/80/968145480.db2.gz VPHUBJWSJFRIGD-UHFFFAOYSA-N 0 0 292.339 1.651 20 5 CDBDRN CCN(CCNC(C)=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100446636 968380845 /nfs/dbraw/zinc/38/08/45/968380845.db2.gz SDHMWLKNCXPULV-UHFFFAOYSA-N 0 0 265.313 1.866 20 5 CDBDRN CCN(OC)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001528929395 968957394 /nfs/dbraw/zinc/95/73/94/968957394.db2.gz QQDWTEBJMPGGTO-UHFFFAOYSA-N 0 0 252.270 1.856 20 5 CDBDRN CCCc1nnc(Sc2c([N+](=O)[O-])cnn2C)o1 ZINC001355250945 969100071 /nfs/dbraw/zinc/10/00/71/969100071.db2.gz BJULDDYJKUAEJT-UHFFFAOYSA-N 0 0 269.286 1.815 20 5 CDBDRN CC[C@H]1CCCN(c2nnc(C[N+](=O)[O-])n2CC)C1 ZINC001520814694 970228681 /nfs/dbraw/zinc/22/86/81/970228681.db2.gz SRAZRMGMVHJDJB-JTQLQIEISA-N 0 0 267.333 1.701 20 5 CDBDRN CC[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603573675 973706760 /nfs/dbraw/zinc/70/67/60/973706760.db2.gz QVDXEOJJDBDEMG-QMMMGPOBSA-N 0 0 298.295 1.509 20 5 CDBDRN CCC[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000697987009 976873838 /nfs/dbraw/zinc/87/38/38/976873838.db2.gz KKSBNHWDTPQCCW-LBPRGKRZSA-N 0 0 252.270 1.894 20 5 CDBDRN C[C@@H]1C[NH2+]C[C@H]1COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001599871818 989361688 /nfs/dbraw/zinc/36/16/88/989361688.db2.gz OGXYKYFYZXYEIC-BDAKNGLRSA-N 0 0 280.280 1.527 20 5 CDBDRN COc1c(O)ccc(C[N@H+](C)[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001599345081 997990438 /nfs/dbraw/zinc/99/04/38/997990438.db2.gz QCLLXUCQOXSRSO-SSDOTTSWSA-N 0 0 284.268 1.214 20 5 CDBDRN O=[N+]([O-])c1ncn(C[C@H]2COc3ccccc3O2)n1 ZINC000585732105 342454899 /nfs/dbraw/zinc/45/48/99/342454899.db2.gz HWQZKJMUHZVGNN-QMMMGPOBSA-N 0 0 262.225 1.026 20 5 CDBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCCC1 ZINC000616807775 342476063 /nfs/dbraw/zinc/47/60/63/342476063.db2.gz NXJLSCXETVWPGQ-UHFFFAOYSA-N 0 0 278.264 1.950 20 5 CDBDRN C[C@H](OCC1CC1)C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000588984109 342476202 /nfs/dbraw/zinc/47/62/02/342476202.db2.gz RMEMCVYJSYEMMX-VIFPVBQESA-N 0 0 279.296 1.768 20 5 CDBDRN O=[N+]([O-])c1ccc2nccc(N[C@H]3CCOC3)c2c1 ZINC000601135769 342476255 /nfs/dbraw/zinc/47/62/55/342476255.db2.gz XVZVPRULGATZAY-VIFPVBQESA-N 0 0 259.265 1.766 20 5 CDBDRN CC(C)(CO)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000082261944 177934325 /nfs/dbraw/zinc/93/43/25/177934325.db2.gz GYKMDCZVNFPOGL-UHFFFAOYSA-N 0 0 252.270 1.343 20 5 CDBDRN O=[N+]([O-])c1sccc1N1CCC[C@@H](N2CCOCC2)C1 ZINC000601170033 342485769 /nfs/dbraw/zinc/48/57/69/342485769.db2.gz JTVJSYKNSZHLKO-LLVKDONJSA-N 0 0 297.380 1.957 20 5 CDBDRN O=C(NCC1CC=CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600224660 341986780 /nfs/dbraw/zinc/98/67/80/341986780.db2.gz OYAUQHDHSDIAHX-UHFFFAOYSA-N 0 0 262.265 1.996 20 5 CDBDRN CCO[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618360829 349445470 /nfs/dbraw/zinc/44/54/70/349445470.db2.gz MXVMJCSYSSERQB-JTQLQIEISA-N 0 0 295.295 1.337 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CC=CC1 ZINC000600230342 341987477 /nfs/dbraw/zinc/98/74/77/341987477.db2.gz RBHRKYNENKCWHM-UHFFFAOYSA-N 0 0 264.285 1.264 20 5 CDBDRN COC[C@@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)OC ZINC000601139530 342479643 /nfs/dbraw/zinc/47/96/43/342479643.db2.gz JTHWLGQLZRKYNR-LLVKDONJSA-N 0 0 291.307 1.638 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC(F)(F)CC1 ZINC000600253715 341989532 /nfs/dbraw/zinc/98/95/32/341989532.db2.gz GIDPLNBJMQTJHT-UHFFFAOYSA-N 0 0 288.254 1.590 20 5 CDBDRN COC(=O)[C@@]1(C)CN(c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000601212193 342505146 /nfs/dbraw/zinc/50/51/46/342505146.db2.gz JEQUADMNXLMXQZ-ZANVPECISA-N 0 0 279.296 1.625 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C1=O ZINC000589822237 342514500 /nfs/dbraw/zinc/51/45/00/342514500.db2.gz ZTJDDNYQUHILRC-JTQLQIEISA-N 0 0 277.280 1.320 20 5 CDBDRN COC(=O)c1cnc(NCc2cc(C)n[nH]2)c([N+](=O)[O-])c1 ZINC000616371809 341992761 /nfs/dbraw/zinc/99/27/61/341992761.db2.gz ZWPGYYFFDGKXKU-UHFFFAOYSA-N 0 0 291.267 1.420 20 5 CDBDRN Cc1cc(NC[C@@H]2CCN(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000589102018 342496973 /nfs/dbraw/zinc/49/69/73/342496973.db2.gz UFEKBRUVMHDFFI-JTQLQIEISA-N 0 0 278.312 1.716 20 5 CDBDRN O=[N+]([O-])c1cncc(Cl)c1N1CCS(=O)CC1 ZINC000589111167 342497473 /nfs/dbraw/zinc/49/74/73/342497473.db2.gz FPQDRNIFFKTUDX-UHFFFAOYSA-N 0 0 275.717 1.212 20 5 CDBDRN CNC(=O)[C@H](C)CN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000589114160 342497617 /nfs/dbraw/zinc/49/76/17/342497617.db2.gz XPMLPTVKYANAKE-SSDOTTSWSA-N 0 0 286.719 1.462 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(N[C@@H]2COCC[C@H]2O)c(F)c1 ZINC000601252993 342539405 /nfs/dbraw/zinc/53/94/05/342539405.db2.gz YNASQWHWVUQNOM-NXEZZACHSA-N 0 0 274.223 1.435 20 5 CDBDRN O=C1[C@H]2CCCCN2C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000124539851 187142809 /nfs/dbraw/zinc/14/28/09/187142809.db2.gz NXQOLVWMOVURFV-GFCCVEGCSA-N 0 0 289.291 1.912 20 5 CDBDRN Cn1c(C(=O)NCCO[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000590384302 342541471 /nfs/dbraw/zinc/54/14/71/342541471.db2.gz DKWXBCKXHXEJST-GFCCVEGCSA-N 0 0 297.311 1.206 20 5 CDBDRN Cc1cc(C(=O)N2CCO[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000590432845 342545510 /nfs/dbraw/zinc/54/55/10/342545510.db2.gz MUXVYFXXAJSQFO-NEPJUHHUSA-N 0 0 262.265 1.517 20 5 CDBDRN CC[C@@]1(O)CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000601234156 342538604 /nfs/dbraw/zinc/53/86/04/342538604.db2.gz QTWKWRGFMMLRJN-LLVKDONJSA-N 0 0 254.290 1.070 20 5 CDBDRN CC1(F)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000601245876 342539249 /nfs/dbraw/zinc/53/92/49/342539249.db2.gz GPLRNNPMSIDQTM-UHFFFAOYSA-N 0 0 255.253 1.126 20 5 CDBDRN NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000041933754 342002709 /nfs/dbraw/zinc/00/27/09/342002709.db2.gz GACICPSQFWRYCN-NSHDSACASA-N 0 0 289.247 1.144 20 5 CDBDRN Cc1cc(C)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)s1 ZINC000601343395 342555781 /nfs/dbraw/zinc/55/57/81/342555781.db2.gz NEZCVSJOPHFPGU-UHFFFAOYSA-N 0 0 294.336 1.900 20 5 CDBDRN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000027640650 342552146 /nfs/dbraw/zinc/55/21/46/342552146.db2.gz UVIBZRSXGBJGJB-QWRGUYRKSA-N 0 0 293.323 1.643 20 5 CDBDRN CC[C@@H](O)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601327233 342554154 /nfs/dbraw/zinc/55/41/54/342554154.db2.gz MIZCFVCKUPWAET-MRVPVSSYSA-N 0 0 270.260 1.625 20 5 CDBDRN CC[C@H](O)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000127727695 187328894 /nfs/dbraw/zinc/32/88/94/187328894.db2.gz HMQMTJOMLNGVNI-JTQLQIEISA-N 0 0 266.297 1.794 20 5 CDBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2C=C[C@H](CO)C2)s1 ZINC000342825198 361747659 /nfs/dbraw/zinc/74/76/59/361747659.db2.gz ONSXKFCVFXOJKB-YUMQZZPRSA-N 0 0 292.320 1.948 20 5 CDBDRN Cc1nc2n(n1)CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000358785591 282110544 /nfs/dbraw/zinc/11/05/44/282110544.db2.gz LUZQOTHBPKBOHG-UHFFFAOYSA-N 0 0 291.286 1.650 20 5 CDBDRN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ncccc1F ZINC000590538918 342575795 /nfs/dbraw/zinc/57/57/95/342575795.db2.gz OFZPIZIBRKMINL-ZCFIWIBFSA-N 0 0 279.231 1.343 20 5 CDBDRN COC(=O)c1ccnc(N2CCCCC2)c1[N+](=O)[O-] ZINC000590568567 342576296 /nfs/dbraw/zinc/57/62/96/342576296.db2.gz FYJCMQQZLMOBML-UHFFFAOYSA-N 0 0 265.269 1.767 20 5 CDBDRN Cc1nccn1CCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590578302 342577322 /nfs/dbraw/zinc/57/73/22/342577322.db2.gz PQXFWBQVFWEBNR-UHFFFAOYSA-N 0 0 276.300 1.001 20 5 CDBDRN C[C@H](O)C[C@@H]1CCCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000590581126 342577494 /nfs/dbraw/zinc/57/74/94/342577494.db2.gz JZDGJQVUJOAUIX-IUCAKERBSA-N 0 0 266.301 1.312 20 5 CDBDRN Cc1c(C(=O)N(C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000087561173 342049132 /nfs/dbraw/zinc/04/91/32/342049132.db2.gz UBZWKQALSDCCEE-ZDUSSCGKSA-N 0 0 278.308 1.746 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000533338146 282113074 /nfs/dbraw/zinc/11/30/74/282113074.db2.gz HKEWFZCXSPWGOU-NXEZZACHSA-N 0 0 281.312 1.166 20 5 CDBDRN CC(C)(C(=O)N1C2CCC1CC2)n1cc([N+](=O)[O-])cn1 ZINC000608803638 342050423 /nfs/dbraw/zinc/05/04/23/342050423.db2.gz FAENTDKZMUMLCD-UHFFFAOYSA-N 0 0 278.312 1.680 20 5 CDBDRN COc1cccc2c1CN(c1c([N+](=O)[O-])ncn1C)CC2 ZINC000590722994 342583955 /nfs/dbraw/zinc/58/39/55/342583955.db2.gz JTXDCHRCBSSAFC-UHFFFAOYSA-N 0 0 288.307 1.900 20 5 CDBDRN CC1(C)CCN(c2cccnc2[N+](=O)[O-])CC[S@@]1=O ZINC000590724068 342584050 /nfs/dbraw/zinc/58/40/50/342584050.db2.gz WYVVBKITEGZUJV-IBGZPJMESA-N 0 0 283.353 1.727 20 5 CDBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000124859298 187158095 /nfs/dbraw/zinc/15/80/95/187158095.db2.gz DDIBCDUSONORFL-UHFFFAOYSA-N 0 0 264.281 1.906 20 5 CDBDRN C[C@@H](NC(=O)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000289825831 361813642 /nfs/dbraw/zinc/81/36/42/361813642.db2.gz NVZOURGGTIXWQE-MRVPVSSYSA-N 0 0 275.268 1.214 20 5 CDBDRN CC[NH+](CC)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166639161 342073611 /nfs/dbraw/zinc/07/36/11/342073611.db2.gz FURVHDSCZMOBPG-UHFFFAOYSA-N 0 0 282.300 1.442 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CO)CC2)n1 ZINC000292694459 342590653 /nfs/dbraw/zinc/59/06/53/342590653.db2.gz ACXMXZIHJWZLOU-NSHDSACASA-N 0 0 265.313 1.897 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N(C)CC(=O)N1CCCC1 ZINC000608855775 342078756 /nfs/dbraw/zinc/07/87/56/342078756.db2.gz QSQFSDDQYHWZRY-UHFFFAOYSA-N 0 0 277.324 1.962 20 5 CDBDRN CCn1ccc(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000616482512 342110430 /nfs/dbraw/zinc/11/04/30/342110430.db2.gz BGMJUODWEIPXIW-UHFFFAOYSA-N 0 0 291.311 1.422 20 5 CDBDRN CC(C)[C@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591151363 342618494 /nfs/dbraw/zinc/61/84/94/342618494.db2.gz KDRFCBXRAPQGSS-JTQLQIEISA-N 0 0 282.275 1.090 20 5 CDBDRN CCN(CC(=O)N(C)C)c1ncc([N+](=O)[O-])cc1F ZINC000591148945 342618653 /nfs/dbraw/zinc/61/86/53/342618653.db2.gz VISQXJVZIVLEJG-UHFFFAOYSA-N 0 0 270.264 1.043 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](C2CCC2)C1 ZINC000591125713 342619030 /nfs/dbraw/zinc/61/90/30/342619030.db2.gz MVCKVEHQGFJSBC-SECBINFHSA-N 0 0 264.285 1.580 20 5 CDBDRN C[C@]1(O)CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000310487637 342118131 /nfs/dbraw/zinc/11/81/31/342118131.db2.gz 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728901166 /nfs/dbraw/zinc/90/11/66/728901166.db2.gz RPXVPLNTSJPXHG-UHFFFAOYSA-N 0 0 279.227 1.844 20 5 CDBDRN CN(CC(=O)OCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000174064716 728921366 /nfs/dbraw/zinc/92/13/66/728921366.db2.gz YSHABQINIKIUQQ-UHFFFAOYSA-N 0 0 274.223 1.839 20 5 CDBDRN Cc1nn(C(F)F)c(C)c1CC(=O)OCCC[N+](=O)[O-] ZINC000860916532 728928183 /nfs/dbraw/zinc/92/81/83/728928183.db2.gz WTBMMMFEUQEUNC-UHFFFAOYSA-N 0 0 291.254 1.648 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1ncccc1Br ZINC000860918327 728933018 /nfs/dbraw/zinc/93/30/18/728933018.db2.gz HNGBIYUCGAWXOW-UHFFFAOYSA-N 0 0 289.085 1.668 20 5 CDBDRN Cn1nccc1[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839753328 728936419 /nfs/dbraw/zinc/93/64/19/728936419.db2.gz OPXGAOWORRMQEU-YUSALJHKSA-N 0 0 278.312 1.139 20 5 CDBDRN O=C(OCCN1CCc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673838 728937831 /nfs/dbraw/zinc/93/78/31/728937831.db2.gz APQKUPPBBUUXNX-DGCLKSJQSA-N 0 0 276.292 1.258 20 5 CDBDRN Cc1noc(C)c1C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 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COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000887730133 728385677 /nfs/dbraw/zinc/38/56/77/728385677.db2.gz GKMRSQMDDDKRPG-JGVFFNPUSA-N 0 0 282.227 1.482 20 5 CDBDRN CCOCC(=O)COC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873438802 728389576 /nfs/dbraw/zinc/38/95/76/728389576.db2.gz ZDDUWXUIYHRBRY-UHFFFAOYSA-N 0 0 295.291 1.974 20 5 CDBDRN CC1(C)C[C@](C)(NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)O1 ZINC000820547106 728402849 /nfs/dbraw/zinc/40/28/49/728402849.db2.gz BORFRAYDNXAIRF-LBPRGKRZSA-N 0 0 298.320 1.870 20 5 CDBDRN CC(=O)NCCCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000063901093 728405316 /nfs/dbraw/zinc/40/53/16/728405316.db2.gz UUPRAUHSGUMZAP-UHFFFAOYSA-N 0 0 280.280 1.586 20 5 CDBDRN Cc1noc([C@H]2CCCN2Cn2cc([N+](=O)[O-])cn2)n1 ZINC000795747203 728409953 /nfs/dbraw/zinc/40/99/53/728409953.db2.gz ASHZLEQRZLHVAQ-SNVBAGLBSA-N 0 0 278.272 1.277 20 5 CDBDRN COc1ccc(OC(=O)[C@@H]2C[C@@H](C)CO2)c([N+](=O)[O-])c1 ZINC000887660174 728413190 /nfs/dbraw/zinc/41/31/90/728413190.db2.gz 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CC(=O)[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854726849 730363170 /nfs/dbraw/zinc/36/31/70/730363170.db2.gz RFUKPMQOZMQTAK-GFCCVEGCSA-N 0 0 291.307 1.761 20 5 CDBDRN O=C(NOCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000842105777 730363579 /nfs/dbraw/zinc/36/35/79/730363579.db2.gz GZUJJLZTJHDXKU-UHFFFAOYSA-N 0 0 254.217 1.692 20 5 CDBDRN CC(C)N1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])CC1=O ZINC000881901418 730364080 /nfs/dbraw/zinc/36/40/80/730364080.db2.gz PEYDCTCBYKMMRN-MRVPVSSYSA-N 0 0 282.275 1.550 20 5 CDBDRN CC(=O)c1cccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1O ZINC000843887926 730370426 /nfs/dbraw/zinc/37/04/26/730370426.db2.gz BVXLAMWDJQZIPR-PSASIEDQSA-N 0 0 264.237 1.199 20 5 CDBDRN Cc1ccc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000049410478 730375611 /nfs/dbraw/zinc/37/56/11/730375611.db2.gz WKIMCDOHBSOHGX-LBPRGKRZSA-N 0 0 290.275 1.960 20 5 CDBDRN O=C(NC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000129623587 730377713 /nfs/dbraw/zinc/37/77/13/730377713.db2.gz GKRLHCNKEIVKHY-SNVBAGLBSA-N 0 0 284.699 1.749 20 5 CDBDRN CC1(CCC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000934950797 730378015 /nfs/dbraw/zinc/37/80/15/730378015.db2.gz METYSTLAQFKSCL-UHFFFAOYSA-N 0 0 266.301 1.488 20 5 CDBDRN Cc1nc2sccn2c1CN(C)CC[N+](=O)[O-] ZINC000930026900 730382989 /nfs/dbraw/zinc/38/29/89/730382989.db2.gz ODQFBXAULMSJQA-UHFFFAOYSA-N 0 0 254.315 1.413 20 5 CDBDRN CN1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1=O ZINC000865713110 730390260 /nfs/dbraw/zinc/39/02/60/730390260.db2.gz ILQPCKVPHJHIMP-VIFPVBQESA-N 0 0 297.286 1.259 20 5 CDBDRN C[C@@H](COC(=O)C1SCCCS1)[N+](=O)[O-] ZINC000842363321 730397688 /nfs/dbraw/zinc/39/76/88/730397688.db2.gz FULDZFCFCPSONF-LURJTMIESA-N 0 0 251.329 1.391 20 5 CDBDRN Cc1ccc(C(=O)OCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000803224459 730402486 /nfs/dbraw/zinc/40/24/86/730402486.db2.gz MRWMILWIXMNOOU-UHFFFAOYSA-N 0 0 261.237 1.983 20 5 CDBDRN Cc1cnc(N2CCC3(CCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000872640751 730403812 /nfs/dbraw/zinc/40/38/12/730403812.db2.gz PJTQSHBKAFTBRE-UHFFFAOYSA-N 0 0 290.323 1.405 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nn1ccccc1=O ZINC000777784331 730406813 /nfs/dbraw/zinc/40/68/13/730406813.db2.gz OFSLXHVCMFLPPG-UHFFFAOYSA-N 0 0 273.248 1.069 20 5 CDBDRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCNC(=O)C1 ZINC000087885718 730406862 /nfs/dbraw/zinc/40/68/62/730406862.db2.gz XUWHRCRUPPPTHN-UHFFFAOYSA-N 0 0 297.698 1.210 20 5 CDBDRN C[C@H](COC(=O)c1cnn(CC2CC2)c1)[N+](=O)[O-] ZINC000870376695 730408650 /nfs/dbraw/zinc/40/86/50/730408650.db2.gz KXOOZMXQSWUXBB-MRVPVSSYSA-N 0 0 253.258 1.115 20 5 CDBDRN COC[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000882101783 730410114 /nfs/dbraw/zinc/41/01/14/730410114.db2.gz BRYXPGJPKVSEBW-DTORHVGOSA-N 0 0 282.271 1.889 20 5 CDBDRN Cc1noc(COC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000860134886 730417475 /nfs/dbraw/zinc/41/74/75/730417475.db2.gz ZTHQWJZXMTWFPW-CNABLZDZSA-N 0 0 298.295 1.994 20 5 CDBDRN CC(C)[C@@H](CCO)[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609684263 1165038564 /nfs/dbraw/zinc/03/85/64/1165038564.db2.gz CIPBQZDFKZETKS-GFCCVEGCSA-N 0 0 296.323 1.790 20 5 CDBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1cccnc1F ZINC000125184522 1165685194 /nfs/dbraw/zinc/68/51/94/1165685194.db2.gz SNBGXERFUUGHSQ-UHFFFAOYSA-N 0 0 298.251 1.897 20 5 CDBDRN CCOC(=O)c1ccn(-c2ccc(O)c([N+](=O)[O-])c2)c1N ZINC001210392532 1167358890 /nfs/dbraw/zinc/35/88/90/1167358890.db2.gz FXFIJFYLNBYWMW-UHFFFAOYSA-N 0 0 291.263 1.850 20 5 CDBDRN CC(=O)OC1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173228062 912321625 /nfs/dbraw/zinc/32/16/25/912321625.db2.gz TWJVFEWMOASUCS-SNVBAGLBSA-N 0 0 278.308 1.773 20 5 CDBDRN CCCOCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000714987158 913015769 /nfs/dbraw/zinc/01/57/69/913015769.db2.gz SHIMULIRGOOMHD-UHFFFAOYSA-N 0 0 259.693 1.904 20 5 CDBDRN Cc1cnn(CCO)c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477208 913187694 /nfs/dbraw/zinc/18/76/94/913187694.db2.gz GGRHQCJCVKKSIW-UHFFFAOYSA-N 0 0 262.269 1.836 20 5 CDBDRN Nc1nc(N2C[C@H]3[C@H](CF)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001167225078 894908735 /nfs/dbraw/zinc/90/87/35/894908735.db2.gz BLMQJHZZEZNBDO-WHUPJOBBSA-N 0 0 252.249 1.224 20 5 CDBDRN COc1cc(N[C@@](C)(C(N)=O)C(C)C)cnc1[N+](=O)[O-] ZINC001167415010 895591059 /nfs/dbraw/zinc/59/10/59/895591059.db2.gz GCPWSCZKMDOMIJ-GFCCVEGCSA-N 0 0 282.300 1.310 20 5 CDBDRN COc1ccccc1OC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000098094500 896334221 /nfs/dbraw/zinc/33/42/21/896334221.db2.gz DHFHWZVXPQGGTJ-UHFFFAOYSA-N 0 0 291.263 1.865 20 5 CDBDRN COCC1(Nc2ncc([N+](=O)[O-])c(OC)n2)CCOCC1 ZINC001161382789 896639003 /nfs/dbraw/zinc/63/90/03/896639003.db2.gz SKFGHXMTVNJDCQ-UHFFFAOYSA-N 0 0 298.299 1.001 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000694379038 898338167 /nfs/dbraw/zinc/33/81/67/898338167.db2.gz BSMDWQKKLHVNOD-PWSUYJOCSA-N 0 0 265.269 1.084 20 5 CDBDRN C[C@H]1COC[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000699772789 914245433 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ZINC001167739052 899736851 /nfs/dbraw/zinc/73/68/51/899736851.db2.gz BDMJLFSUXZYNBL-UHFFFAOYSA-N 0 0 269.301 1.880 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])cc1NC(C)(C)CCO ZINC001167739797 899751679 /nfs/dbraw/zinc/75/16/79/899751679.db2.gz PGYWJMALVLGTGO-UHFFFAOYSA-N 0 0 282.296 1.954 20 5 CDBDRN CCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105314741 900132831 /nfs/dbraw/zinc/13/28/31/900132831.db2.gz FPKCUTZMVJBVDP-UHFFFAOYSA-N 0 0 266.301 1.294 20 5 CDBDRN Cc1cc(N(C)CCN(C)C(=O)C(C)C)ncc1[N+](=O)[O-] ZINC001105330469 900195939 /nfs/dbraw/zinc/19/59/39/900195939.db2.gz KHKFBOHHJVLZHV-UHFFFAOYSA-N 0 0 294.355 1.849 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCc1ccon1 ZINC001222731639 900400776 /nfs/dbraw/zinc/40/07/76/900400776.db2.gz XWENFIFVABFORS-MRVPVSSYSA-N 0 0 266.257 1.693 20 5 CDBDRN Cc1nc(N)ccc1CNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167785667 900674388 /nfs/dbraw/zinc/67/43/88/900674388.db2.gz YGPGUZPNMFLBLN-UHFFFAOYSA-N 0 0 293.258 1.265 20 5 CDBDRN Cc1nc(N)ccc1CNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167786090 900699906 /nfs/dbraw/zinc/69/99/06/900699906.db2.gz JBFCESQPXMWDGD-UHFFFAOYSA-N 0 0 289.295 1.191 20 5 CDBDRN Cc1cc(C(=O)NCC(=O)OC(C)C)c(N)c([N+](=O)[O-])c1 ZINC000104902417 900781121 /nfs/dbraw/zinc/78/11/21/900781121.db2.gz ZMTDKSYJXWBDAB-UHFFFAOYSA-N 0 0 295.295 1.167 20 5 CDBDRN O=C1OC[C@@H](COc2c(Cl)nccc2[N+](=O)[O-])O1 ZINC001225431175 902743178 /nfs/dbraw/zinc/74/31/78/902743178.db2.gz MYTGMXSKGQDSPT-RXMQYKEDSA-N 0 0 274.616 1.557 20 5 CDBDRN O=C(CC1CC1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001059128529 904359679 /nfs/dbraw/zinc/35/96/79/904359679.db2.gz VCLBKNWINDCMHE-XYPYZODXSA-N 0 0 290.323 1.849 20 5 CDBDRN Cc1ncsc1CCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000126665877 904901066 /nfs/dbraw/zinc/90/10/66/904901066.db2.gz GWBYIKGYIJTZNS-UHFFFAOYSA-N 0 0 296.308 1.342 20 5 CDBDRN CCc1cc(O[C@@H](C[N+](=O)[O-])C2CC2)nc(C)n1 ZINC001226681424 905426165 /nfs/dbraw/zinc/42/61/65/905426165.db2.gz OEPZYZKXJOKOAQ-NSHDSACASA-N 0 0 251.286 1.782 20 5 CDBDRN O=[N+]([O-])c1cnc(OC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001227106121 906041534 /nfs/dbraw/zinc/04/15/34/906041534.db2.gz FQCWVCYQUTZIKZ-QMMMGPOBSA-N 0 0 269.213 1.456 20 5 CDBDRN O=C(OCCC1(O)CCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840582024 906101175 /nfs/dbraw/zinc/10/11/75/906101175.db2.gz IVSMRNNOFIWTTH-GFCCVEGCSA-N 0 0 295.291 1.477 20 5 CDBDRN Cc1cnc(O[C@@H]2C(=O)OCC2(C)C)c([N+](=O)[O-])c1 ZINC001227235224 906133532 /nfs/dbraw/zinc/13/35/32/906133532.db2.gz QEVWCJVVJNKKPS-SECBINFHSA-N 0 0 266.253 1.629 20 5 CDBDRN NN1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228933181 907637824 /nfs/dbraw/zinc/63/78/24/907637824.db2.gz CALMYTLGGPENGJ-UHFFFAOYSA-N 0 0 272.692 1.360 20 5 CDBDRN Cc1ncc2c(c1O[C@H](C[N+](=O)[O-])C1CC1)COC2 ZINC001229789516 921383029 /nfs/dbraw/zinc/38/30/29/921383029.db2.gz NNRIKRFHKNWZBX-GFCCVEGCSA-N 0 0 264.281 1.854 20 5 CDBDRN CCOc1cnc(NC[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC001168718120 921454344 /nfs/dbraw/zinc/45/43/44/921454344.db2.gz NHCIBHVPAFEFGU-VIFPVBQESA-N 0 0 294.311 1.279 20 5 CDBDRN CCC1(Nc2cccc3ncc([N+](=O)[O-])n32)COC1 ZINC001168325462 909047797 /nfs/dbraw/zinc/04/77/97/909047797.db2.gz QLVHGYYLEZHWRS-UHFFFAOYSA-N 0 0 262.269 1.833 20 5 CDBDRN CCC1(CNc2nccc(OC)c2[N+](=O)[O-])COC1 ZINC001168328553 909060103 /nfs/dbraw/zinc/06/01/03/909060103.db2.gz UWVGKKLTLZNVAO-UHFFFAOYSA-N 0 0 267.285 1.837 20 5 CDBDRN C[C@@]1(O)C[C@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC001168341590 909123568 /nfs/dbraw/zinc/12/35/68/909123568.db2.gz WKMMRQWNYVJDAZ-XGAOUMNUSA-N 0 0 272.692 1.611 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168346838 909138451 /nfs/dbraw/zinc/13/84/51/909138451.db2.gz ULENGEHAJGDOSC-DEZZCRIOSA-N 0 0 294.307 1.954 20 5 CDBDRN CCc1ccc(CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 ZINC000842338750 909753621 /nfs/dbraw/zinc/75/36/21/909753621.db2.gz RCLKJOZGVOZRGS-VXGBXAGGSA-N 0 0 264.281 1.395 20 5 CDBDRN COCCCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093497915 909832545 /nfs/dbraw/zinc/83/25/45/909832545.db2.gz UBSLOCYLWFGHNG-UHFFFAOYSA-N 0 0 296.327 1.253 20 5 CDBDRN COCCCC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093497760 909833519 /nfs/dbraw/zinc/83/35/19/909833519.db2.gz NOLNDYSRSXCCSX-UHFFFAOYSA-N 0 0 296.327 1.253 20 5 CDBDRN COc1cc(F)cc(CNc2c[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001171415531 909853143 /nfs/dbraw/zinc/85/31/43/909853143.db2.gz BDUNUIJRGTVTSQ-UHFFFAOYSA-N 0 0 293.254 1.988 20 5 CDBDRN O=C(NCCCNc1ccccc1[N+](=O)[O-])c1ccon1 ZINC001094335468 910512380 /nfs/dbraw/zinc/51/23/80/910512380.db2.gz UZBRHLLSWBBCQR-UHFFFAOYSA-N 0 0 290.279 1.815 20 5 CDBDRN [NH3+]Cc1nccnc1[N-]c1nc(Cl)ccc1[N+](=O)[O-] ZINC001171448327 910643837 /nfs/dbraw/zinc/64/38/37/910643837.db2.gz ZPAQSWKQGNUBJP-UHFFFAOYSA-N 0 0 280.675 1.636 20 5 CDBDRN CC(=O)CC(C)(C)Nc1nccc(N)c1[N+](=O)[O-] ZINC001171498747 910792064 /nfs/dbraw/zinc/79/20/64/910792064.db2.gz MOIUZHYBZLQCFB-UHFFFAOYSA-N 0 0 252.274 1.742 20 5 CDBDRN C[C@@]1(CO)C[C@H](O)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000698117722 911160787 /nfs/dbraw/zinc/16/07/87/911160787.db2.gz MIPPPFGHLIEQOV-AAEUAGOBSA-N 0 0 284.287 1.052 20 5 CDBDRN COc1cc(NCc2ccn(C)c(=O)c2)cnc1[N+](=O)[O-] ZINC001168401598 911610541 /nfs/dbraw/zinc/61/05/41/911610541.db2.gz NRLDMESDUWCKCI-UHFFFAOYSA-N 0 0 290.279 1.309 20 5 CDBDRN Cc1cc(NC[C@@H]2COC(C)(C)O2)ncc1[N+](=O)[O-] ZINC000225874152 911635587 /nfs/dbraw/zinc/63/55/87/911635587.db2.gz QXCPKAGZKVXHPQ-SECBINFHSA-N 0 0 267.285 1.862 20 5 CDBDRN COc1cccc(NCc2ccn(C)c(=O)c2)c1[N+](=O)[O-] ZINC001168402473 911668204 /nfs/dbraw/zinc/66/82/04/911668204.db2.gz ILMRCHXFLPKVHA-UHFFFAOYSA-N 0 0 289.291 1.914 20 5 CDBDRN COC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000689494762 936396727 /nfs/dbraw/zinc/39/67/27/936396727.db2.gz WVDQGLFXSFHIST-UHFFFAOYSA-N 0 0 254.246 1.100 20 5 CDBDRN CCC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])cc1C ZINC001107002350 917744840 /nfs/dbraw/zinc/74/48/40/917744840.db2.gz XJZNMBWAEUEVBN-PLNGDYQASA-N 0 0 278.312 1.793 20 5 CDBDRN Cc1ccnc(NC/C=C/CNC(=O)C2CC2)c1[N+](=O)[O-] ZINC001107003476 917748288 /nfs/dbraw/zinc/74/82/88/917748288.db2.gz QEUZCVMDTRERJO-NSCUHMNNSA-N 0 0 290.323 1.793 20 5 CDBDRN CC1=NO[C@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000831682243 936526541 /nfs/dbraw/zinc/52/65/41/936526541.db2.gz ZLHIIFPLFQDKQK-ZDUSSCGKSA-N 0 0 289.291 1.957 20 5 CDBDRN COc1ccc(NC(=O)C[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000831973231 936550529 /nfs/dbraw/zinc/55/05/29/936550529.db2.gz WPGDUMOPTKPIJM-SECBINFHSA-N 0 0 293.279 1.211 20 5 CDBDRN COc1ncnc(N[C@@H](C)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000094738947 919700837 /nfs/dbraw/zinc/70/08/37/919700837.db2.gz ISXJWTAZEJNSBP-YUMQZZPRSA-N 0 0 268.273 1.373 20 5 CDBDRN C[C@]1(C(=O)OCCn2cnc([N+](=O)[O-])n2)CC=CCC1 ZINC000835208743 936724710 /nfs/dbraw/zinc/72/47/10/936724710.db2.gz UDIMIRWBTQNZCL-LBPRGKRZSA-N 0 0 280.284 1.476 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1NCCN1CCCCO1 ZINC001162416753 922545272 /nfs/dbraw/zinc/54/52/72/922545272.db2.gz 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252.270 1.930 20 5 CDBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000276702463 366117969 /nfs/dbraw/zinc/11/79/69/366117969.db2.gz XLWDJEHHYRGFNJ-QMMMGPOBSA-N 0 0 290.283 1.606 20 5 CDBDRN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000037016411 363314073 /nfs/dbraw/zinc/31/40/73/363314073.db2.gz IPAUFKBKZDAJSR-VIFPVBQESA-N 0 0 261.285 1.574 20 5 CDBDRN CC(=O)c1ccc(NCC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000007366645 363315194 /nfs/dbraw/zinc/31/51/94/363315194.db2.gz TVZMNXBVTOBZTM-UHFFFAOYSA-N 0 0 277.280 1.488 20 5 CDBDRN COc1cc(C(=O)N[C@H](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000167558705 363317942 /nfs/dbraw/zinc/31/79/42/363317942.db2.gz MXINYVQRQKWRGH-RKDXNWHRSA-N 0 0 282.296 1.493 20 5 CDBDRN C[C@H](O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000162544220 188578198 /nfs/dbraw/zinc/57/81/98/188578198.db2.gz HZAPAKBXKOEMPG-GXSJLCMTSA-N 0 0 264.281 1.438 20 5 CDBDRN CC[C@@H]1CCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000162698547 188585596 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CCOC1CC(N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000293510616 198662142 /nfs/dbraw/zinc/66/21/42/198662142.db2.gz SIEQCVJKEMXOOT-UHFFFAOYSA-N 0 0 293.323 1.817 20 5 CDBDRN CN(Cc1nc[nH]n1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358411088 355930037 /nfs/dbraw/zinc/93/00/37/355930037.db2.gz JIWIQSPMTOSUNM-UHFFFAOYSA-N 0 0 293.258 1.053 20 5 CDBDRN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286243555 356236001 /nfs/dbraw/zinc/23/60/01/356236001.db2.gz IJYMPLBJHNNNBF-CHWSQXEVSA-N 0 0 293.323 1.379 20 5 CDBDRN Nc1ccc(N2CCOC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000286182228 356227069 /nfs/dbraw/zinc/22/70/69/356227069.db2.gz LAOMMUBKJYAIHX-UHFFFAOYSA-N 0 0 293.323 1.563 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC1 ZINC000164846458 356249914 /nfs/dbraw/zinc/24/99/14/356249914.db2.gz GCPCZDHZYOTVSP-UHFFFAOYSA-N 0 0 250.254 1.839 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1c1ncon1 ZINC000286322954 356252181 /nfs/dbraw/zinc/25/21/81/356252181.db2.gz FQFHOTHIGAMTOC-MRVPVSSYSA-N 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Cc1cccc(C(=O)N[C@H]2C=C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000358634430 356313698 /nfs/dbraw/zinc/31/36/98/356313698.db2.gz BNAQRXMZSIBNCP-MNOVXSKESA-N 0 0 276.292 1.570 20 5 CDBDRN CC(=O)NCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134494397 356329084 /nfs/dbraw/zinc/32/90/84/356329084.db2.gz RXTUJRZPGCOATN-UHFFFAOYSA-N 0 0 285.687 1.114 20 5 CDBDRN CCC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000134533328 356331443 /nfs/dbraw/zinc/33/14/43/356331443.db2.gz BCMOBPFBRBHBJB-SNVBAGLBSA-N 0 0 282.296 1.494 20 5 CDBDRN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cncs1 ZINC000340911704 363462054 /nfs/dbraw/zinc/46/20/54/363462054.db2.gz UGUBYZDXUIEUOQ-ZETCQYMHSA-N 0 0 290.308 1.689 20 5 CDBDRN CO[C@](C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000336848530 356372464 /nfs/dbraw/zinc/37/24/64/356372464.db2.gz KTUHUWDRWCJHRM-CYBMUJFWSA-N 0 0 294.311 1.117 20 5 CDBDRN Cc1c([C@H](C)Nc2ncc([N+](=O)[O-])cn2)cnn1C ZINC000273618279 192233303 /nfs/dbraw/zinc/23/33/03/192233303.db2.gz NZGLQETUSWRWGT-ZETCQYMHSA-N 0 0 262.273 1.600 20 5 CDBDRN CCOc1cccc(NCC(=O)NC(C)C)c1[N+](=O)[O-] ZINC000134905780 356461202 /nfs/dbraw/zinc/46/12/02/356461202.db2.gz DXSBJPHAFLISMS-UHFFFAOYSA-N 0 0 281.312 1.930 20 5 CDBDRN C[C@](O)(CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000273678161 192259523 /nfs/dbraw/zinc/25/95/23/192259523.db2.gz YQGKDYHVSUCPNM-NSHDSACASA-N 0 0 264.241 1.297 20 5 CDBDRN COC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000048983041 366250653 /nfs/dbraw/zinc/25/06/53/366250653.db2.gz DHEGGSPOZCENFE-UHFFFAOYSA-N 0 0 280.284 1.633 20 5 CDBDRN CC1CCC(N(C)c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000048545998 356878743 /nfs/dbraw/zinc/87/87/43/356878743.db2.gz VJPYPCFCEIDGGG-UHFFFAOYSA-N 0 0 265.317 1.982 20 5 CDBDRN C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073417998 356936619 /nfs/dbraw/zinc/93/66/19/356936619.db2.gz RPUVCVUKISLYOU-UHFFFAOYSA-N 0 0 295.339 1.618 20 5 CDBDRN Cc1c(CN2C(=O)N[C@H](C3CC3)C2=O)cccc1[N+](=O)[O-] ZINC000431729831 356952087 /nfs/dbraw/zinc/95/20/87/356952087.db2.gz FEEGYURQFYOOLN-GFCCVEGCSA-N 0 0 289.291 1.734 20 5 CDBDRN CC[C@@](C)(CO)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000080879681 357018308 /nfs/dbraw/zinc/01/83/08/357018308.db2.gz BCWCLKTVDPCFRC-ZDUSSCGKSA-N 0 0 282.296 1.494 20 5 CDBDRN CC(C)(C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046334534 357142456 /nfs/dbraw/zinc/14/24/56/357142456.db2.gz NASKQHXNPPWPIE-UHFFFAOYSA-N 0 0 262.269 1.999 20 5 CDBDRN CCN(CC)C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(CO)c1 ZINC000431884736 357158031 /nfs/dbraw/zinc/15/80/31/357158031.db2.gz XHLKKLBMODZKSF-JTQLQIEISA-N 0 0 296.323 1.723 20 5 CDBDRN Cc1cc(C(=O)NCCc2cnccn2)ccc1[N+](=O)[O-] ZINC000341289784 357221892 /nfs/dbraw/zinc/22/18/92/357221892.db2.gz MRZUZMJBCBJVOU-UHFFFAOYSA-N 0 0 286.291 1.666 20 5 CDBDRN C[C@H](CCCO)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135058168 357313228 /nfs/dbraw/zinc/31/32/28/357313228.db2.gz XPRJDNISFCGGOW-SNVBAGLBSA-N 0 0 266.297 1.415 20 5 CDBDRN Cc1c(CNC(=O)[C@@H](C)n2cncn2)cccc1[N+](=O)[O-] ZINC000360530908 357423588 /nfs/dbraw/zinc/42/35/88/357423588.db2.gz VWEYMKKYAFHUQF-SNVBAGLBSA-N 0 0 289.295 1.372 20 5 CDBDRN Cc1cc(OCC(=O)N(C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000283599363 357574209 /nfs/dbraw/zinc/57/42/09/357574209.db2.gz KZLQBHAMMNJJLK-JTQLQIEISA-N 0 0 282.296 1.121 20 5 CDBDRN CCN(CCO)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283009686 357517876 /nfs/dbraw/zinc/51/78/76/357517876.db2.gz PLTDBRKBBNMIQS-UHFFFAOYSA-N 0 0 299.302 1.254 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NOC[C@@H]1CCOC1 ZINC000283212667 357542234 /nfs/dbraw/zinc/54/22/34/357542234.db2.gz RTBWCVFLPOTLLO-SSDOTTSWSA-N 0 0 299.258 1.014 20 5 CDBDRN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)on1 ZINC000186185933 357620769 /nfs/dbraw/zinc/62/07/69/357620769.db2.gz CJYGCQGTIHCBII-UHFFFAOYSA-N 0 0 264.241 1.587 20 5 CDBDRN Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000360646137 357661719 /nfs/dbraw/zinc/66/17/19/357661719.db2.gz CALDKWZANICAMD-VHSXEESVSA-N 0 0 296.327 1.155 20 5 CDBDRN COc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000360657966 357664592 /nfs/dbraw/zinc/66/45/92/357664592.db2.gz QKAALMMCHHBPAO-UHFFFAOYSA-N 0 0 292.251 1.295 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCC1(CO)CCCC1 ZINC000135109922 357669487 /nfs/dbraw/zinc/66/94/87/357669487.db2.gz GBLWYQGSXXTOSQ-UHFFFAOYSA-N 0 0 254.290 1.293 20 5 CDBDRN C/C=C/C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000187136269 357731242 /nfs/dbraw/zinc/73/12/42/357731242.db2.gz NNVZJKBMCUDMDE-HPOULIHZSA-N 0 0 279.296 1.234 20 5 CDBDRN CSC1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000566453904 357766351 /nfs/dbraw/zinc/76/63/51/357766351.db2.gz YXZSKHQMFSZUEF-UHFFFAOYSA-N 0 0 282.325 1.028 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OC)C2)c1 ZINC000361014243 357773506 /nfs/dbraw/zinc/77/35/06/357773506.db2.gz RTSAIQAFRZYZCO-SNVBAGLBSA-N 0 0 280.280 1.464 20 5 CDBDRN Cc1nc(N2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000161546989 363589493 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/nfs/dbraw/zinc/61/76/59/392617659.db2.gz RAOXUMTZRRKYJJ-JTQLQIEISA-N 0 0 294.311 1.397 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000128110004 392641909 /nfs/dbraw/zinc/64/19/09/392641909.db2.gz WKUPCHAXJCDSTD-NXEZZACHSA-N 0 0 293.323 1.410 20 5 CDBDRN Cc1c(CN2C[C@@H](C)CS2(=O)=O)cccc1[N+](=O)[O-] ZINC000419067081 392887739 /nfs/dbraw/zinc/88/77/39/392887739.db2.gz KXBYEADGCGILBT-SECBINFHSA-N 0 0 284.337 1.685 20 5 CDBDRN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000194757829 392892917 /nfs/dbraw/zinc/89/29/17/392892917.db2.gz ZDISFTMAYHDFEN-JTQLQIEISA-N 0 0 292.295 1.337 20 5 CDBDRN C[C@H]1CN(CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000523078144 392882348 /nfs/dbraw/zinc/88/23/48/392882348.db2.gz IVMDLOSCYVINJR-NSHDSACASA-N 0 0 265.313 1.727 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCC(F)(F)F ZINC000525212074 392922600 /nfs/dbraw/zinc/92/26/00/392922600.db2.gz OKTJBGWEJJXHQN-UHFFFAOYSA-N 0 0 265.191 1.616 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCCCC1(O)CCC1 ZINC000421980018 392948856 /nfs/dbraw/zinc/94/88/56/392948856.db2.gz DPIYPGOSIOIAIO-UHFFFAOYSA-N 0 0 292.335 1.949 20 5 CDBDRN C[C@@H]1CC[C@@H](O)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000422039061 392950195 /nfs/dbraw/zinc/95/01/95/392950195.db2.gz RRFXRJPPTYJBDW-BXKDBHETSA-N 0 0 296.298 1.648 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H](n3ccnn3)C2)s1 ZINC000425276935 393013634 /nfs/dbraw/zinc/01/36/34/393013634.db2.gz QISJAJCNLXVKJU-MRVPVSSYSA-N 0 0 280.313 1.484 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425275520 393014191 /nfs/dbraw/zinc/01/41/91/393014191.db2.gz AIOGCTSHKIFVPT-MRVPVSSYSA-N 0 0 277.259 1.846 20 5 CDBDRN O=C(N[C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000430509940 393099028 /nfs/dbraw/zinc/09/90/28/393099028.db2.gz JWKOWIJBSZJCOB-QMMMGPOBSA-N 0 0 274.223 1.341 20 5 CDBDRN Cc1n[nH]c(C(=O)N(C)[C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000430448525 393099080 /nfs/dbraw/zinc/09/90/80/393099080.db2.gz HWLAQMDODABPOD-CBAPKCEASA-N 0 0 266.301 1.887 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C2CCC2)n1 ZINC000315927774 393044672 /nfs/dbraw/zinc/04/46/72/393044672.db2.gz WXIMSULFLZSGDB-LLVKDONJSA-N 0 0 251.286 1.871 20 5 CDBDRN Cc1cncc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000531425767 393061709 /nfs/dbraw/zinc/06/17/09/393061709.db2.gz HECUVUZYDGUFOB-UHFFFAOYSA-N 0 0 260.253 1.889 20 5 CDBDRN CC(C)[C@@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123638 393107119 /nfs/dbraw/zinc/10/71/19/393107119.db2.gz ZJXDYFABZCFQHZ-OLZOCXBDSA-N 0 0 296.371 1.519 20 5 CDBDRN CC(C)C[C@@H](CCO)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532161661 393069549 /nfs/dbraw/zinc/06/95/49/393069549.db2.gz HCCMTIGTSWTBMN-LLVKDONJSA-N 0 0 297.355 1.708 20 5 CDBDRN C[S@@](=O)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000281884423 393160804 /nfs/dbraw/zinc/16/08/04/393160804.db2.gz QPUXRIUPTPUFKI-HXUWFJFHSA-N 0 0 297.336 1.627 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(CC(F)(F)F)CC1 ZINC000281902367 393161465 /nfs/dbraw/zinc/16/14/65/393161465.db2.gz BNVDUQCGQFQZTI-UHFFFAOYSA-N 0 0 293.249 1.013 20 5 CDBDRN CCO/C=C\C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493662741 393217714 /nfs/dbraw/zinc/21/77/14/393217714.db2.gz ZJGMAXQPKCQKBX-ALCCZGGFSA-N 0 0 292.291 1.866 20 5 CDBDRN CC(C)(CO)ONC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493719432 393218479 /nfs/dbraw/zinc/21/84/79/393218479.db2.gz HPZFPDQOSVMPCJ-VOTSOKGWSA-N 0 0 280.280 1.427 20 5 CDBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCn2ncnc2C1 ZINC000494668842 393235694 /nfs/dbraw/zinc/23/56/94/393235694.db2.gz NMCAOVOWGOJUOW-UHFFFAOYSA-N 0 0 293.714 1.856 20 5 CDBDRN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1O ZINC000351504191 393203966 /nfs/dbraw/zinc/20/39/66/393203966.db2.gz HZSYJXVWXZEQSN-NOZJJQNGSA-N 0 0 273.292 1.960 20 5 CDBDRN CC(C)(CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(N)=O ZINC000213768945 393304757 /nfs/dbraw/zinc/30/47/57/393304757.db2.gz YZGUVVAWIGBWJB-FPLPWBNLSA-N 0 0 291.307 1.236 20 5 CDBDRN O=[N+]([O-])c1cn(C[C@@H](O)COc2ccccc2)cn1 ZINC000048433196 139615024 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ZINC000166834587 139930390 /nfs/dbraw/zinc/93/03/90/139930390.db2.gz YBECVNMKHXIUPD-YUMQZZPRSA-N 0 0 283.284 1.348 20 5 CDBDRN O=C(Nc1nccs1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186753245 140069807 /nfs/dbraw/zinc/06/98/07/140069807.db2.gz MOOSGHUKIWIPPK-UHFFFAOYSA-N 0 0 266.238 1.404 20 5 CDBDRN CC(C)(C)C(=O)NCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000195421859 140155399 /nfs/dbraw/zinc/15/53/99/140155399.db2.gz KFFHXSUFBQFGMS-UHFFFAOYSA-N 0 0 283.284 1.080 20 5 CDBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000195466191 140156242 /nfs/dbraw/zinc/15/62/42/140156242.db2.gz SYUVNSHIKCPTNU-NSHDSACASA-N 0 0 294.307 1.854 20 5 CDBDRN Cc1nn(Cc2nnnn2C(C)C)c(C)c1[N+](=O)[O-] ZINC000195516472 140158007 /nfs/dbraw/zinc/15/80/07/140158007.db2.gz NKKLOIOUSXSZAJ-UHFFFAOYSA-N 0 0 265.277 1.024 20 5 CDBDRN Cc1cccc(C(=O)N[C@@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000228186456 140191634 /nfs/dbraw/zinc/19/16/34/140191634.db2.gz GBUGMEXJQHMBPU-UWVGGRQHSA-N 0 0 266.297 1.792 20 5 CDBDRN Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228174756 140191753 /nfs/dbraw/zinc/19/17/53/140191753.db2.gz MFOPUYZIUQLYOJ-UWVGGRQHSA-N 0 0 266.297 1.792 20 5 CDBDRN CCOc1cc(N2C[C@@H](C)O[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000230007659 140206067 /nfs/dbraw/zinc/20/60/67/140206067.db2.gz BZIQHHVBRDTPGK-ZYHUDNBSSA-N 0 0 296.323 1.580 20 5 CDBDRN NC(=O)c1ccc(N[C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000230307135 140210980 /nfs/dbraw/zinc/21/09/80/140210980.db2.gz NQUHQOPLNPISRJ-WCQYABFASA-N 0 0 291.307 1.673 20 5 CDBDRN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H](O)C(F)F ZINC000352357800 155134261 /nfs/dbraw/zinc/13/42/61/155134261.db2.gz UFKZYMKLMOGTGE-JTQLQIEISA-N 0 0 283.234 1.603 20 5 CDBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(C)n1 ZINC000183886768 397614232 /nfs/dbraw/zinc/61/42/32/397614232.db2.gz OGUZYELWXPLZAX-UHFFFAOYSA-N 0 0 287.279 1.836 20 5 CDBDRN COC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456940164 397661426 /nfs/dbraw/zinc/66/14/26/397661426.db2.gz PGYRNYHGKXIINC-VIFPVBQESA-N 0 0 267.285 1.564 20 5 CDBDRN O=C(N[C@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1F ZINC000054774619 397877091 /nfs/dbraw/zinc/87/70/91/397877091.db2.gz GYYGJYLAWIJJSQ-NSHDSACASA-N 0 0 295.270 1.132 20 5 CDBDRN NC(=O)c1ccnc(N2CCC[C@H]2CF)c1[N+](=O)[O-] ZINC000294082518 398093547 /nfs/dbraw/zinc/09/35/47/398093547.db2.gz NVQWFIINSLTUPT-ZETCQYMHSA-N 0 0 268.248 1.027 20 5 CDBDRN Cc1ccc(N2CCc3n[nH]c(=O)cc3C2)c([N+](=O)[O-])c1 ZINC000274645783 292139337 /nfs/dbraw/zinc/13/93/37/292139337.db2.gz BWMWLJPFRXUAPY-UHFFFAOYSA-N 0 0 286.291 1.549 20 5 CDBDRN CO[C@@]1(C)CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000408324552 285915212 /nfs/dbraw/zinc/91/52/12/285915212.db2.gz NPPOJNWABNZZKP-ZDUSSCGKSA-N 0 0 296.327 1.360 20 5 CDBDRN COC(=O)c1ccc(Cn2cccc([N+](=O)[O-])c2=O)o1 ZINC000102204850 147147418 /nfs/dbraw/zinc/14/74/18/147147418.db2.gz HNIPTYHMIKBKPW-UHFFFAOYSA-N 0 0 278.220 1.184 20 5 CDBDRN CC(C)OCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102322230 147149949 /nfs/dbraw/zinc/14/99/49/147149949.db2.gz SDPHQUDPVBSWBI-UHFFFAOYSA-N 0 0 298.343 1.458 20 5 CDBDRN O=c1ccc([N+](=O)[O-])cn1CCSc1ccccn1 ZINC000121829848 147384758 /nfs/dbraw/zinc/38/47/58/147384758.db2.gz MZCNXVQSMLZFPM-UHFFFAOYSA-N 0 0 277.305 1.944 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(O)cc1F ZINC000183283507 148294955 /nfs/dbraw/zinc/29/49/55/148294955.db2.gz RYJPHZDWKIGMNW-UHFFFAOYSA-N 0 0 294.242 1.583 20 5 CDBDRN COC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194404409 148653198 /nfs/dbraw/zinc/65/31/98/148653198.db2.gz LYIYVMCGRQRCEB-SSDOTTSWSA-N 0 0 294.354 1.312 20 5 CDBDRN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ncnn1C ZINC000352468148 155207819 /nfs/dbraw/zinc/20/78/19/155207819.db2.gz HENNSMIQJLEPQP-LURJTMIESA-N 0 0 293.312 1.606 20 5 CDBDRN O=C([O-])[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000262193179 149032645 /nfs/dbraw/zinc/03/26/45/149032645.db2.gz YYJKCMGXUKKGHK-NSHDSACASA-N 0 0 280.280 1.523 20 5 CDBDRN C[C@](O)(CNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 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CC(C)([NH2+]C[C@@](C)(O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001609785139 1165080524 /nfs/dbraw/zinc/08/05/24/1165080524.db2.gz LPDBOSLLLPDXLD-CYBMUJFWSA-N 0 0 282.296 1.255 20 5 CDBDRN O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001610741958 1165424538 /nfs/dbraw/zinc/42/45/38/1165424538.db2.gz MNIUYKKJFSGZIW-WDEREUQCSA-N 0 0 264.281 1.938 20 5 CDBDRN CCCNC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000048322130 1166452097 /nfs/dbraw/zinc/45/20/97/1166452097.db2.gz FASPEJMYODWVKA-MRVPVSSYSA-N 0 0 252.274 1.316 20 5 CDBDRN CN1CCO[C@H](CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001155196448 1167103112 /nfs/dbraw/zinc/10/31/12/1167103112.db2.gz BWTQOCDKAILHNV-SECBINFHSA-N 0 0 291.311 1.214 20 5 CDBDRN Cc1ccnc(N2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC001155417170 1167164446 /nfs/dbraw/zinc/16/44/46/1167164446.db2.gz AKHAVQITUUIHFT-NXEZZACHSA-N 0 0 251.286 1.912 20 5 CDBDRN Cn1cnc2c1ncnc2Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393516 1167360725 /nfs/dbraw/zinc/36/07/25/1167360725.db2.gz 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CNC(=O)c1ccc(NC[C@@H](C)CCCO)c([N+](=O)[O-])c1 ZINC000295039926 199314595 /nfs/dbraw/zinc/31/45/95/199314595.db2.gz WQNQMSMWOWDTLW-JTQLQIEISA-N 0 0 295.339 1.775 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC1 ZINC000597721989 343610805 /nfs/dbraw/zinc/61/08/05/343610805.db2.gz BYKNCUWICXMKFK-UHFFFAOYSA-N 0 0 288.206 1.626 20 5 CDBDRN O=C(NCCC1CSC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597789189 343635733 /nfs/dbraw/zinc/63/57/33/343635733.db2.gz JGSDPHVZEQEWPW-UHFFFAOYSA-N 0 0 283.309 1.178 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2(CO)CC2)c1 ZINC000598040830 343703619 /nfs/dbraw/zinc/70/36/19/343703619.db2.gz STRIBHOBGSTMOI-JTQLQIEISA-N 0 0 278.308 1.794 20 5 CDBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC/C=C/CO)c1 ZINC000597994335 343684151 /nfs/dbraw/zinc/68/41/51/343684151.db2.gz WATZOHLISIBSOY-NSCUHMNNSA-N 0 0 282.321 1.595 20 5 CDBDRN Cc1n[nH]c(C(=O)NCCCOC(C)(C)C)c1[N+](=O)[O-] ZINC000598190464 343727033 /nfs/dbraw/zinc/72/70/33/343727033.db2.gz IVHBPMAVXLVAJG-UHFFFAOYSA-N 0 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CCc1nn(C)c(N2CC[C@@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598635856 343862849 /nfs/dbraw/zinc/86/28/49/343862849.db2.gz KHLTURDVJUJYST-NXEZZACHSA-N 0 0 282.344 1.345 20 5 CDBDRN O=C([O-])[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000003750240 362255377 /nfs/dbraw/zinc/25/53/77/362255377.db2.gz CKBQUBYMIOIREL-LLVKDONJSA-N 0 0 264.281 1.891 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1CO ZINC000598906981 343922497 /nfs/dbraw/zinc/92/24/97/343922497.db2.gz UFRACSZUBQKSPP-BDAKNGLRSA-N 0 0 268.269 1.278 20 5 CDBDRN Cc1nc(N2C[C@](C)(CO)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000599165955 343972969 /nfs/dbraw/zinc/97/29/69/343972969.db2.gz XABWRFKNBFPDOU-OKILXGFUSA-N 0 0 295.339 1.115 20 5 CDBDRN CC(C)CC[C@H](CO)Nc1c([N+](=O)[O-])ncn1C ZINC000599138307 343959557 /nfs/dbraw/zinc/95/95/57/343959557.db2.gz ZBVSNQRHIGIMJC-SECBINFHSA-N 0 0 256.306 1.537 20 5 CDBDRN CCn1nncc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000599115195 343961898 /nfs/dbraw/zinc/96/18/98/343961898.db2.gz 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O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c[nH]ccc1=O ZINC000603889716 344843585 /nfs/dbraw/zinc/84/35/85/344843585.db2.gz KTFGAHHOBLMDHZ-UHFFFAOYSA-N 0 0 289.247 1.301 20 5 CDBDRN CC(C)(C)c1nc(Sc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000273231886 192081718 /nfs/dbraw/zinc/08/17/18/192081718.db2.gz XAVZNJYHRVHOLF-UHFFFAOYSA-N 0 0 280.313 1.952 20 5 CDBDRN CC[C@H](O)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292918321 362519097 /nfs/dbraw/zinc/51/90/97/362519097.db2.gz XOOMGSDCANMVRG-VIFPVBQESA-N 0 0 267.285 1.796 20 5 CDBDRN CCn1nncc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292952398 362520829 /nfs/dbraw/zinc/52/08/29/362520829.db2.gz CBSHEJQHDKEYBO-UHFFFAOYSA-N 0 0 287.279 1.409 20 5 CDBDRN NC(=O)C1=NO[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000292957027 362521850 /nfs/dbraw/zinc/52/18/50/362521850.db2.gz GGQSFEYNMJUYNN-ZCFIWIBFSA-N 0 0 298.686 1.290 20 5 CDBDRN O=C(N[C@@H]1CCCc2occc21)c1[nH]ncc1[N+](=O)[O-] ZINC000159742225 362508103 /nfs/dbraw/zinc/50/81/03/362508103.db2.gz STONAUOARKOIGH-MRVPVSSYSA-N 0 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CC(C)n1[nH]cnc1=NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000425603305 246898932 /nfs/dbraw/zinc/89/89/32/246898932.db2.gz BXOQKXJCESZKRK-UHFFFAOYSA-N 0 0 289.295 1.370 20 5 CDBDRN CN(CCCCCO)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000227096773 375438226 /nfs/dbraw/zinc/43/82/26/375438226.db2.gz IJTKSOVIHPULRO-UHFFFAOYSA-N 0 0 296.323 1.595 20 5 CDBDRN COC[C@H](CCO)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000230185290 375533890 /nfs/dbraw/zinc/53/38/90/375533890.db2.gz FZODKIXKRGRCKZ-VIFPVBQESA-N 0 0 255.274 1.108 20 5 CDBDRN CCS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000130187274 375506283 /nfs/dbraw/zinc/50/62/83/375506283.db2.gz RYNDKPCAOQWWCC-UHFFFAOYSA-N 0 0 296.308 1.747 20 5 CDBDRN CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000353210689 375588172 /nfs/dbraw/zinc/58/81/72/375588172.db2.gz ZVOYJKUZQXDORJ-KGLIPLIRSA-N 0 0 280.324 1.878 20 5 CDBDRN COc1ccc(CNC(=O)[C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000352902691 375550285 /nfs/dbraw/zinc/55/02/85/375550285.db2.gz 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O=C1OCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN12 ZINC000496347143 375738375 /nfs/dbraw/zinc/73/83/75/375738375.db2.gz WGBKVXVNRGKVPR-MRVPVSSYSA-N 0 0 296.258 1.160 20 5 CDBDRN CC(C)[C@@H](O)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427977294 247223579 /nfs/dbraw/zinc/22/35/79/247223579.db2.gz LHDDQFVSWLBZCO-CYBMUJFWSA-N 0 0 294.307 1.333 20 5 CDBDRN CCN(C)C(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217780072 375730087 /nfs/dbraw/zinc/73/00/87/375730087.db2.gz FWBDQVABRMQBHY-UHFFFAOYSA-N 0 0 299.714 1.456 20 5 CDBDRN CCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1=O ZINC000428434384 247300689 /nfs/dbraw/zinc/30/06/89/247300689.db2.gz KZSUDMPQLWTAOQ-LBPRGKRZSA-N 0 0 291.351 1.956 20 5 CDBDRN Cn1cncc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355256828 375784732 /nfs/dbraw/zinc/78/47/32/375784732.db2.gz SGOFKDFUHGNRPI-UHFFFAOYSA-N 0 0 260.253 1.258 20 5 CDBDRN CC[C@H](CC(F)(F)F)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000354889905 375759561 /nfs/dbraw/zinc/75/95/61/375759561.db2.gz 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O=[N+]([O-])c1cnc(N2CC[C@H](n3cccn3)C2)s1 ZINC000292339816 280380854 /nfs/dbraw/zinc/38/08/54/280380854.db2.gz NPMLLOCLVNHJHU-QMMMGPOBSA-N 0 0 265.298 1.699 20 5 CDBDRN Nc1nc(N2CCC3(CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301472792 280595686 /nfs/dbraw/zinc/59/56/86/280595686.db2.gz QKHVRYKVPISMAS-UHFFFAOYSA-N 0 0 263.301 1.738 20 5 CDBDRN C[C@H](O)C[C@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000304351960 280599412 /nfs/dbraw/zinc/59/94/12/280599412.db2.gz MYNGTAKENFOYRU-QWRGUYRKSA-N 0 0 295.339 1.801 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C1CCC1 ZINC000316176617 280629402 /nfs/dbraw/zinc/62/94/02/280629402.db2.gz ZEQPELYZWHOHLV-ZDUSSCGKSA-N 0 0 278.308 1.415 20 5 CDBDRN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCC1(F)F ZINC000291122629 288256168 /nfs/dbraw/zinc/25/61/68/288256168.db2.gz MHCPDADNKISBCD-SSDOTTSWSA-N 0 0 260.244 1.810 20 5 CDBDRN Cc1ccnc(NCCC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000401983957 280735288 /nfs/dbraw/zinc/73/52/88/280735288.db2.gz ADSUCSHJSKXLBH-NSHDSACASA-N 0 0 265.313 1.949 20 5 CDBDRN CC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cc1F ZINC000267292363 281035300 /nfs/dbraw/zinc/03/53/00/281035300.db2.gz RSEFCNMHCWCWLB-JTQLQIEISA-N 0 0 267.260 1.449 20 5 CDBDRN C[C@@H](C(=O)NCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000519798136 281037517 /nfs/dbraw/zinc/03/75/17/281037517.db2.gz IDNKDSUBBDTLKA-LLVKDONJSA-N 0 0 288.307 1.711 20 5 CDBDRN C[C@@H]1CN(CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000522275552 281096051 /nfs/dbraw/zinc/09/60/51/281096051.db2.gz LVIJRVOSQNOWHJ-SNVBAGLBSA-N 0 0 283.303 1.867 20 5 CDBDRN CC[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1O ZINC000270617674 281155158 /nfs/dbraw/zinc/15/51/58/281155158.db2.gz NDFPMPQPKSSTRN-IUCAKERBSA-N 0 0 296.327 1.284 20 5 CDBDRN CC[C@](C)(NCc1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000119469535 281289045 /nfs/dbraw/zinc/28/90/45/281289045.db2.gz RNIMYQZXMRIARV-LBPRGKRZSA-N 0 0 285.731 1.992 20 5 CDBDRN CCc1ccc(C(=O)NC[C@@](C)(O)COC)cc1[N+](=O)[O-] ZINC000531311839 281739395 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272.264 1.516 20 5 CDBDRN C[C@@H](O)C[C@H]1COCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000157181690 289280326 /nfs/dbraw/zinc/28/03/26/289280326.db2.gz NCQFFUIIWSPULV-RISCZKNCSA-N 0 0 280.324 1.567 20 5 CDBDRN Cc1noc(CCC(=O)N(C)c2cccc([N+](=O)[O-])c2)n1 ZINC000158290903 289305597 /nfs/dbraw/zinc/30/55/97/289305597.db2.gz PFGCFGPITDBSIA-UHFFFAOYSA-N 0 0 290.279 1.882 20 5 CDBDRN C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ncon1 ZINC000255048669 289352054 /nfs/dbraw/zinc/35/20/54/289352054.db2.gz PTZOVHHXIOQLMB-WQAKUFEDSA-N 0 0 288.263 1.868 20 5 CDBDRN C[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000255777159 289386590 /nfs/dbraw/zinc/38/65/90/289386590.db2.gz RZAWURJXJGWPAL-QROTZFDESA-N 0 0 291.307 1.201 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000540791860 289458607 /nfs/dbraw/zinc/45/86/07/289458607.db2.gz ZFMAZYJGZUNXSL-DTORHVGOSA-N 0 0 267.285 1.183 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCO)CC1 ZINC000541856460 289517125 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/nfs/dbraw/zinc/40/51/24/1166405124.db2.gz FSDOLTVGMYDRIE-LBPRGKRZSA-N 0 0 276.296 1.796 20 5 CDBDRN COc1cnc(NCCn2ccnc2C)c([N+](=O)[O-])c1 ZINC001156006602 1167284666 /nfs/dbraw/zinc/28/46/66/1167284666.db2.gz CLFNFNZIOMQMIL-UHFFFAOYSA-N 0 0 277.284 1.615 20 5 CDBDRN COc1cc(C)nc(N2C=C(N)C=CC2)c1[N+](=O)[O-] ZINC001160881485 1167297508 /nfs/dbraw/zinc/29/75/08/1167297508.db2.gz GYHVNCNNWLXUGD-UHFFFAOYSA-N 0 0 262.269 1.483 20 5 CDBDRN C[C@@H](NC(=O)c1cnc(N)cn1)c1ccccc1[N+](=O)[O-] ZINC001579414960 1172171922 /nfs/dbraw/zinc/17/19/22/1172171922.db2.gz RNSSQLSYVRXQKH-MRVPVSSYSA-N 0 0 287.279 1.458 20 5 CDBDRN C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001589994979 1173227362 /nfs/dbraw/zinc/22/73/62/1173227362.db2.gz AXKVMGRITVRKMW-JGVFFNPUSA-N 0 0 292.299 1.346 20 5 CDBDRN CC1(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCC1 ZINC001590134583 1173266116 /nfs/dbraw/zinc/26/61/16/1173266116.db2.gz AUVPOIFMFQJOTK-UHFFFAOYSA-N 0 0 289.299 1.772 20 5 CDBDRN C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CO1 ZINC001590206031 1173291731 /nfs/dbraw/zinc/29/17/31/1173291731.db2.gz GTUFIXGYLZTZDO-CBAPKCEASA-N 0 0 290.283 1.364 20 5 CDBDRN C[C@@H]1[C@@H](C)CN1c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590316430 1173350709 /nfs/dbraw/zinc/35/07/09/1173350709.db2.gz MIWNIOFFTPPCCA-NKWVEPMBSA-N 0 0 275.272 1.015 20 5 CDBDRN COC[C@H](C)CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001591373782 1173634274 /nfs/dbraw/zinc/63/42/74/1173634274.db2.gz OGKQWJXJGQBLFQ-ZCFIWIBFSA-N 0 0 298.328 1.531 20 5 CDBDRN C[C@@]1(O)C[C@H](Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591777341 1173698230 /nfs/dbraw/zinc/69/82/30/1173698230.db2.gz KCDHMTSURINACB-OGXFKERWSA-N 0 0 290.283 1.100 20 5 CDBDRN Cc1cc(Cn2nccc2[N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001591978121 1173764090 /nfs/dbraw/zinc/76/40/90/1173764090.db2.gz VPCYOUJCZYLDSW-UHFFFAOYSA-N 0 0 285.267 1.328 20 5 CDBDRN Cc1cc(NCCCCO)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592046714 1173787686 /nfs/dbraw/zinc/78/76/86/1173787686.db2.gz GCTLBCUNMKACSE-UHFFFAOYSA-N 0 0 292.299 1.268 20 5 CDBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC(C2CC2)C1 ZINC001593466764 1174079741 /nfs/dbraw/zinc/07/97/41/1174079741.db2.gz WELHBSCWUCTPJQ-UHFFFAOYSA-N 0 0 287.283 1.016 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1CCCCC1 ZINC001593474466 1174081255 /nfs/dbraw/zinc/08/12/55/1174081255.db2.gz KFCFTZNPEFZWPH-UHFFFAOYSA-N 0 0 274.284 1.765 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@@H]2C[C@@H]21 ZINC001593479917 1174081992 /nfs/dbraw/zinc/08/19/92/1174081992.db2.gz CKLPXSQVPBJQOS-XCBNKYQSSA-N 0 0 272.268 1.374 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CCCOCC1 ZINC001593480087 1174082529 /nfs/dbraw/zinc/08/25/29/1174082529.db2.gz FBAISPDKQPDBGS-UHFFFAOYSA-N 0 0 290.283 1.002 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1CC=CC1 ZINC001593475345 1174082989 /nfs/dbraw/zinc/08/29/89/1174082989.db2.gz OJUZOVIERGAOGQ-UHFFFAOYSA-N 0 0 258.241 1.151 20 5 CDBDRN CC(C)(C)[C@@H](CC(=O)[O-])[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001603306101 1175535373 /nfs/dbraw/zinc/53/53/73/1175535373.db2.gz OOKSEQPSZLXLLB-SNVBAGLBSA-N 0 0 284.316 1.270 20 5 CDBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)[C@H]1C ZINC001603939554 1175692686 /nfs/dbraw/zinc/69/26/86/1175692686.db2.gz MRVHDABVEDQOMV-BQBZGAKWSA-N 0 0 289.299 1.202 20 5 CDBDRN Cc1cnc(NC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000133706569 1175807421 /nfs/dbraw/zinc/80/74/21/1175807421.db2.gz WRMZEZAKJSVKSL-SNVBAGLBSA-N 0 0 266.301 1.041 20 5 CDBDRN COc1ncnc(NC2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000229742090 1178133451 /nfs/dbraw/zinc/13/34/51/1178133451.db2.gz WLJBUKBICJIMPM-UHFFFAOYSA-N 0 0 278.190 1.900 20 5 CDBDRN Cc1ccnc(N[C@H]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000231322360 1178165341 /nfs/dbraw/zinc/16/53/41/1178165341.db2.gz WISZGNFWJMYURT-UWVGGRQHSA-N 0 0 251.286 1.871 20 5 CDBDRN O=C(OCCF)Oc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001606971251 1164043714 /nfs/dbraw/zinc/04/37/14/1164043714.db2.gz RQVQLTFKNDDIJU-UHFFFAOYSA-N 0 0 297.202 1.260 20 5 CDBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164632191 719176993 /nfs/dbraw/zinc/17/69/93/719176993.db2.gz DEASHRVTUUVGPQ-IUCAKERBSA-N 0 0 295.299 1.427 20 5 CDBDRN O=C([O-])[C@H](C1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001608530858 1164533616 /nfs/dbraw/zinc/53/36/16/1164533616.db2.gz JDQQBJPEKCZQQE-LBPRGKRZSA-N 0 0 294.311 1.291 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccn(C)n1 ZINC000779464879 735176666 /nfs/dbraw/zinc/17/66/66/735176666.db2.gz YGNIWJKBEYNRBL-UHFFFAOYSA-N 0 0 275.264 1.994 20 5 CDBDRN C[C@H](O)CCCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000795408840 735190118 /nfs/dbraw/zinc/19/01/18/735190118.db2.gz FCOHZJTWACECKW-QMMMGPOBSA-N 0 0 256.258 1.251 20 5 CDBDRN CC(C)(COC(=O)c1ccc(-c2nc[nH]n2)cc1)[N+](=O)[O-] ZINC000851128004 735211606 /nfs/dbraw/zinc/21/16/06/735211606.db2.gz DFBLUULIYSAABA-UHFFFAOYSA-N 0 0 290.279 1.684 20 5 CDBDRN COC(C)(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000798567350 735213249 /nfs/dbraw/zinc/21/32/49/735213249.db2.gz ZYHAFVWFNDEGHC-UHFFFAOYSA-N 0 0 271.225 1.339 20 5 CDBDRN CN1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000778795731 735224870 /nfs/dbraw/zinc/22/48/70/735224870.db2.gz JOXPFTSWLBPOHZ-LLVKDONJSA-N 0 0 296.254 1.512 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CO)C1 ZINC000891435717 735292999 /nfs/dbraw/zinc/29/29/99/735292999.db2.gz HNFMJFPGLLUTEM-VIFPVBQESA-N 0 0 267.285 1.207 20 5 CDBDRN CSCC[C@@H](NCC[N+](=O)[O-])c1nnc2ccccn21 ZINC000791053825 735303921 /nfs/dbraw/zinc/30/39/21/735303921.db2.gz HYCLFLIQOYSLOT-SNVBAGLBSA-N 0 0 295.368 1.390 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccc1)CC(F)F ZINC000840367808 735307138 /nfs/dbraw/zinc/30/71/38/735307138.db2.gz CWFAEKBLSCYUHN-GHMZBOCLSA-N 0 0 284.262 1.946 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871517849 735315231 /nfs/dbraw/zinc/31/52/31/735315231.db2.gz XPJATHQZUARTCV-PHIMTYICSA-N 0 0 276.296 1.216 20 5 CDBDRN CC(C)N(C)S(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000126332322 735332240 /nfs/dbraw/zinc/33/22/40/735332240.db2.gz ZXVPXNYDCJUXLQ-UHFFFAOYSA-N 0 0 287.341 1.269 20 5 CDBDRN COC(=O)CN(C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873944290 735332907 /nfs/dbraw/zinc/33/29/07/735332907.db2.gz UGDLNPQUJXVDIU-UHFFFAOYSA-N 0 0 280.280 1.457 20 5 CDBDRN Cc1ccc(OC(=O)c2ccnn2C)c([N+](=O)[O-])c1 ZINC000121865937 735336428 /nfs/dbraw/zinc/33/64/28/735336428.db2.gz MESDMMQTOJMNJC-UHFFFAOYSA-N 0 0 261.237 1.856 20 5 CDBDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000134221096 735339893 /nfs/dbraw/zinc/33/98/93/735339893.db2.gz LFKANCRHJXSMTK-MRVPVSSYSA-N 0 0 296.279 1.285 20 5 CDBDRN CC(C)(CCC(=O)NCCOCC1CCC1)[N+](=O)[O-] ZINC000828550616 735341343 /nfs/dbraw/zinc/34/13/43/735341343.db2.gz QKNFPMMTSLDCIB-UHFFFAOYSA-N 0 0 272.345 1.755 20 5 CDBDRN CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001059124155 735349867 /nfs/dbraw/zinc/34/98/67/735349867.db2.gz RDXJLVVPOPDXEV-HAQNSBGRSA-N 0 0 263.297 1.982 20 5 CDBDRN CC[C@H]1C(=O)N(CC)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829072335 735359218 /nfs/dbraw/zinc/35/92/18/735359218.db2.gz KLXQXTFXYQOANT-NSHDSACASA-N 0 0 299.371 1.291 20 5 CDBDRN Cc1nn2c(nc(C)cc2C)c1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813111213 735361696 /nfs/dbraw/zinc/36/16/96/735361696.db2.gz CVXFGBIEZKVAIS-VIFPVBQESA-N 0 0 292.295 1.477 20 5 CDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCCOC1 ZINC000883153092 735367494 /nfs/dbraw/zinc/36/74/94/735367494.db2.gz QUEZRBQRVBIDNA-ZYHUDNBSSA-N 0 0 295.339 1.868 20 5 CDBDRN Cc1nn(C)c(C(=O)N2CCC(F)CC2)c1[N+](=O)[O-] ZINC000881609182 735382861 /nfs/dbraw/zinc/38/28/61/735382861.db2.gz XFQRLDNOGKAGLI-UHFFFAOYSA-N 0 0 270.264 1.211 20 5 CDBDRN C[C@@H](NCc1nncn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525237 735381073 /nfs/dbraw/zinc/38/10/73/735381073.db2.gz JVHAXQXYDIWKES-MRVPVSSYSA-N 0 0 276.300 1.156 20 5 CDBDRN CC(C)(CCC(=O)N[C@@](C)(CO)c1ccccc1)[N+](=O)[O-] ZINC000855086545 735395384 /nfs/dbraw/zinc/39/53/84/735395384.db2.gz SUDWVNHYNQMVLA-HNNXBMFYSA-N 0 0 294.351 1.846 20 5 CDBDRN O=C(N[C@H]1CCCCC12OCCO2)c1ccc([N+](=O)[O-])o1 ZINC000715931141 735403136 /nfs/dbraw/zinc/40/31/36/735403136.db2.gz LDDZIRCLKLVHTH-JTQLQIEISA-N 0 0 296.279 1.603 20 5 CDBDRN CO[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830103492 735423739 /nfs/dbraw/zinc/42/37/39/735423739.db2.gz UBNVXBPWYBMMSO-ZYHUDNBSSA-N 0 0 297.267 1.006 20 5 CDBDRN CC[C@@H](C)NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003505384 735425068 /nfs/dbraw/zinc/42/50/68/735425068.db2.gz PTJGBIOTMYQKDL-SECBINFHSA-N 0 0 280.280 1.666 20 5 CDBDRN O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000930721359 735445461 /nfs/dbraw/zinc/44/54/61/735445461.db2.gz IHNUJSBFVYMJPZ-AWEZNQCLSA-N 0 0 294.351 1.383 20 5 CDBDRN CC(C)C(=O)Cn1cc([N+](=O)[O-])nc1Br ZINC000849991798 735465606 /nfs/dbraw/zinc/46/56/06/735465606.db2.gz ZNXHCPRZDSOKPB-UHFFFAOYSA-N 0 0 276.090 1.779 20 5 CDBDRN COC(=O)[C@@H](C)Sc1nc2ccccn2c1[N+](=O)[O-] ZINC000862505578 735476193 /nfs/dbraw/zinc/47/61/93/735476193.db2.gz QBFHHCQYYHOHKS-SSDOTTSWSA-N 0 0 281.293 1.896 20 5 CDBDRN C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc21 ZINC000839518660 735503927 /nfs/dbraw/zinc/50/39/27/735503927.db2.gz HEUWQQHDAJWAQM-MPKXVKKWSA-N 0 0 289.335 1.219 20 5 CDBDRN O=C(N[C@H](CO)C1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827949617 735513781 /nfs/dbraw/zinc/51/37/81/735513781.db2.gz RDSQYZXPCBLKGU-SNVBAGLBSA-N 0 0 284.699 1.749 20 5 CDBDRN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839746755 735527452 /nfs/dbraw/zinc/52/74/52/735527452.db2.gz AQUAGMDRBKHBJQ-HBNTYKKESA-N 0 0 254.330 1.936 20 5 CDBDRN CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935538245 735536543 /nfs/dbraw/zinc/53/65/43/735536543.db2.gz TYQYUWFVNYUAFP-CYZMBNFOSA-N 0 0 278.308 1.585 20 5 CDBDRN O=C(CCC(=O)c1ccccn1)OCCC[N+](=O)[O-] ZINC000860921482 735708393 /nfs/dbraw/zinc/70/83/93/735708393.db2.gz 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CDBDRN CC(C)(COC(=O)c1ncc2n1CCCC2)[N+](=O)[O-] ZINC000870467177 734723816 /nfs/dbraw/zinc/72/38/16/734723816.db2.gz ANMTZVKQUULBKE-UHFFFAOYSA-N 0 0 267.285 1.432 20 5 CDBDRN Cc1n[nH]nc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000805546166 734743537 /nfs/dbraw/zinc/74/35/37/734743537.db2.gz KAFZOCUJNZERKE-UHFFFAOYSA-N 0 0 290.235 1.061 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CC[C@@](F)(CO)C2)cc1F ZINC000802011418 734755064 /nfs/dbraw/zinc/75/50/64/734755064.db2.gz ALFHJFXYRUHVAT-LBPRGKRZSA-N 0 0 272.251 1.640 20 5 CDBDRN COc1cccc([C@H](OC)C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851130477 734773510 /nfs/dbraw/zinc/77/35/10/734773510.db2.gz TXDBNOXSMBVNMW-LBPRGKRZSA-N 0 0 297.307 1.981 20 5 CDBDRN CO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)C1 ZINC000706560229 734778342 /nfs/dbraw/zinc/77/83/42/734778342.db2.gz PWNOWEYCOCBYJN-CZMCAQCFSA-N 0 0 282.271 1.950 20 5 CDBDRN Nc1ccc([N+](=O)[O-])c(N2CC[C@H](CCCO)C2)c1 ZINC000829584416 734784753 /nfs/dbraw/zinc/78/47/53/734784753.db2.gz DESDEQKDVLIFBN-JTQLQIEISA-N 0 0 265.313 1.776 20 5 CDBDRN CC(C)(CCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O)[N+](=O)[O-] ZINC000833767158 734785471 /nfs/dbraw/zinc/78/54/71/734785471.db2.gz CLLNYAIMOBIMNG-UPJWGTAASA-N 0 0 298.383 1.974 20 5 CDBDRN CNc1ccc(C(=O)N2CCCC(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000885030097 734786486 /nfs/dbraw/zinc/78/64/86/734786486.db2.gz NUFQRLLFWCDIPR-SECBINFHSA-N 0 0 291.307 1.830 20 5 CDBDRN CCC(CC)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823574231 734787345 /nfs/dbraw/zinc/78/73/45/734787345.db2.gz VZFRPUFNGNTBQZ-GFCCVEGCSA-N 0 0 266.297 1.933 20 5 CDBDRN C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820002722 734788797 /nfs/dbraw/zinc/78/87/97/734788797.db2.gz VLJUCMPAQLVRBA-JIMOISOXSA-N 0 0 278.308 1.538 20 5 CDBDRN CCCN(CC(=O)NC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000056508340 734789063 /nfs/dbraw/zinc/78/90/63/734789063.db2.gz KRJWIEVCZPEMMX-UHFFFAOYSA-N 0 0 283.303 1.692 20 5 CDBDRN O=Cc1ccc(OCC(=O)N[C@@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC000855425289 734792037 /nfs/dbraw/zinc/79/20/37/734792037.db2.gz YHDJYFLJDVOGNV-LLVKDONJSA-N 0 0 290.275 1.621 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ncon1 ZINC000791389975 734795478 /nfs/dbraw/zinc/79/54/78/734795478.db2.gz AQAPOWWWHUSZDV-YFKPBYRVSA-N 0 0 295.230 1.190 20 5 CDBDRN CCN(C)C(=O)c1cccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839765525 734810363 /nfs/dbraw/zinc/81/03/63/734810363.db2.gz UNJLZNIRHIVOIZ-VXGBXAGGSA-N 0 0 291.307 1.382 20 5 CDBDRN Cn1ccnc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000124984908 734812599 /nfs/dbraw/zinc/81/25/99/734812599.db2.gz PQELEIRAIUBEAM-UHFFFAOYSA-N 0 0 291.263 1.451 20 5 CDBDRN Cc1nn(CN2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000779867637 734812853 /nfs/dbraw/zinc/81/28/53/734812853.db2.gz XBJNBGGNKCPFQZ-UHFFFAOYSA-N 0 0 280.328 1.702 20 5 CDBDRN COC[C@@H](O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884498551 734823100 /nfs/dbraw/zinc/82/31/00/734823100.db2.gz FEUNDDPIJNSUHT-VIFPVBQESA-N 0 0 277.280 1.562 20 5 CDBDRN C[C@H](O)[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882121097 734829685 /nfs/dbraw/zinc/82/96/85/734829685.db2.gz MELCKEQGBZODLN-IUCAKERBSA-N 0 0 269.276 1.726 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCc1nc2ccccc2n1C ZINC000008374643 734831376 /nfs/dbraw/zinc/83/13/76/734831376.db2.gz DBESOIMWZINCKK-UHFFFAOYSA-N 0 0 286.295 1.827 20 5 CDBDRN Nc1ccc(NC(=O)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000854497629 734833207 /nfs/dbraw/zinc/83/32/07/734833207.db2.gz SVVWTFXKVCAENM-SSDOTTSWSA-N 0 0 267.310 1.869 20 5 CDBDRN COC(=O)N(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000855941649 734841752 /nfs/dbraw/zinc/84/17/52/734841752.db2.gz XSWOCNRJPOEJCX-UHFFFAOYSA-N 0 0 299.258 1.162 20 5 CDBDRN O=C(N[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC000323561756 734849295 /nfs/dbraw/zinc/84/92/95/734849295.db2.gz JEQMTEBXZJITGQ-PSASIEDQSA-N 0 0 284.699 1.891 20 5 CDBDRN CC(=O)N[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000817126488 734851444 /nfs/dbraw/zinc/85/14/44/734851444.db2.gz WESKVWQKOUTTQH-LLVKDONJSA-N 0 0 263.297 1.618 20 5 CDBDRN CO[C@@H]1CCOC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000724901567 734851652 /nfs/dbraw/zinc/85/16/52/734851652.db2.gz FAHDSXKIVGSKTH-GHMZBOCLSA-N 0 0 270.260 1.950 20 5 CDBDRN CC1(C)OC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)O1 ZINC000840281847 734860380 /nfs/dbraw/zinc/86/03/80/734860380.db2.gz WRJUVLKHCLDUGE-MRVPVSSYSA-N 0 0 271.248 1.692 20 5 CDBDRN Cc1nn(C)c(N2CCC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000719110327 734862879 /nfs/dbraw/zinc/86/28/79/734862879.db2.gz IHOHGKRXNZXPNA-SNVBAGLBSA-N 0 0 296.327 1.226 20 5 CDBDRN CC(=O)[C@H](C)CCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849798336 734870999 /nfs/dbraw/zinc/87/09/99/734870999.db2.gz BMOJEEQHVIQFGS-NOZJJQNGSA-N 0 0 295.291 1.787 20 5 CDBDRN O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cccnc2)c1 ZINC000179624745 734877718 /nfs/dbraw/zinc/87/77/18/734877718.db2.gz AAMRWAMAOAVSLL-UHFFFAOYSA-N 0 0 297.267 1.930 20 5 CDBDRN CCCc1[nH]nc(C(=O)OC[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC000796261025 734882575 /nfs/dbraw/zinc/88/25/75/734882575.db2.gz KGJRXDBIQLPZLH-IUCAKERBSA-N 0 0 297.311 1.995 20 5 CDBDRN COc1ccc(OC(=O)c2ccncn2)cc1[N+](=O)[O-] ZINC000792590708 734883255 /nfs/dbraw/zinc/88/32/55/734883255.db2.gz RWRGCTBTNHVOTO-UHFFFAOYSA-N 0 0 275.220 1.613 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(-n2cccn2)n1 ZINC000814045045 734897373 /nfs/dbraw/zinc/89/73/73/734897373.db2.gz XUFMAPYKPPXPBR-VIFPVBQESA-N 0 0 276.252 1.089 20 5 CDBDRN CC(C)O[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886263734 734899415 /nfs/dbraw/zinc/89/94/15/734899415.db2.gz FOWLSMGYLZLHLH-GFCCVEGCSA-N 0 0 265.313 1.989 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000884620649 734900552 /nfs/dbraw/zinc/90/05/52/734900552.db2.gz GTJCSEDONVQPPY-VTYGSRLXSA-N 0 0 252.270 1.199 20 5 CDBDRN CC(C)[C@H](CO)CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865805551 734900604 /nfs/dbraw/zinc/90/06/04/734900604.db2.gz FSGQIIQOGBIRQE-JTQLQIEISA-N 0 0 286.303 1.903 20 5 CDBDRN CCC(CC)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000798893437 734900685 /nfs/dbraw/zinc/90/06/85/734900685.db2.gz GTSCIUOJEJLRBU-UHFFFAOYSA-N 0 0 282.296 1.736 20 5 CDBDRN CO[C@@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000849807481 734905346 /nfs/dbraw/zinc/90/53/46/734905346.db2.gz QMNYKKYRMHSKSI-UTUOFQBUSA-N 0 0 271.313 1.790 20 5 CDBDRN O=c1ccn(CCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000131228349 734905495 /nfs/dbraw/zinc/90/54/95/734905495.db2.gz DFKYJTNYILRXGY-UHFFFAOYSA-N 0 0 289.247 1.907 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1c[nH]nc1C(C)(C)C ZINC000816097181 734912855 /nfs/dbraw/zinc/91/28/55/734912855.db2.gz WDBPICFPEGESOO-SSDOTTSWSA-N 0 0 255.274 1.529 20 5 CDBDRN O=C(NC[C@H]1CCCO1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821154852 734921295 /nfs/dbraw/zinc/92/12/95/734921295.db2.gz AFGQJJGWSNCBSY-RDBSUJKOSA-N 0 0 290.319 1.994 20 5 CDBDRN Cc1c(CNc2cnn(CCO)c2)cccc1[N+](=O)[O-] ZINC000873039565 734925217 /nfs/dbraw/zinc/92/52/17/734925217.db2.gz NWZKEAHDOUKPBB-UHFFFAOYSA-N 0 0 276.296 1.704 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCC1(C)OCCO1 ZINC000192768917 734925482 /nfs/dbraw/zinc/92/54/82/734925482.db2.gz LIQXUSFPZBVSEJ-UHFFFAOYSA-N 0 0 284.316 1.685 20 5 CDBDRN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886144619 734928093 /nfs/dbraw/zinc/92/80/93/734928093.db2.gz CINAUTKHJDWNJO-SNVBAGLBSA-N 0 0 294.355 1.725 20 5 CDBDRN CN1C(=O)CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000783753942 734928205 /nfs/dbraw/zinc/92/82/05/734928205.db2.gz AHFHOMZCMNYZEL-JTQLQIEISA-N 0 0 281.243 1.293 20 5 CDBDRN CNc1c(C(=O)NC[C@H]2C[C@H](OC)C2)cccc1[N+](=O)[O-] ZINC000881575885 734932075 /nfs/dbraw/zinc/93/20/75/734932075.db2.gz BLRJUISWCUADMO-MGCOHNPYSA-N 0 0 293.323 1.791 20 5 CDBDRN CC1(C)OC[C@H](CCn2cc([N+](=O)[O-])cc(F)c2=O)O1 ZINC000849925845 734937492 /nfs/dbraw/zinc/93/74/92/734937492.db2.gz RSRAEIDMAZMKFN-VIFPVBQESA-N 0 0 286.259 1.437 20 5 CDBDRN O=[N+]([O-])c1ccc(N2C[C@H](O)CC3(CCOCC3)C2)cn1 ZINC000883014216 734951694 /nfs/dbraw/zinc/95/16/94/734951694.db2.gz LTRDRPIBCUCHPS-GFCCVEGCSA-N 0 0 293.323 1.358 20 5 CDBDRN C[C@@H](CC(=O)OC[C@H](C)[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000813101735 734959380 /nfs/dbraw/zinc/95/93/80/734959380.db2.gz ICVQSDIVBVFCHY-IUCAKERBSA-N 0 0 290.316 1.498 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(C[C@H]2CCC(C)(C)CO2)c1=O ZINC000882271043 734980912 /nfs/dbraw/zinc/98/09/12/734980912.db2.gz JGWWEBKYBULVLU-LLVKDONJSA-N 0 0 296.323 1.970 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]1C1CCCC1 ZINC000889396441 734981149 /nfs/dbraw/zinc/98/11/49/734981149.db2.gz HIPFDWLHHGOCJL-GFCCVEGCSA-N 0 0 278.312 1.582 20 5 CDBDRN O=C(OC[C@@H]1CCC(=O)N1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000845114023 734983121 /nfs/dbraw/zinc/98/31/21/734983121.db2.gz HCMCUAHQBFJEAT-VIFPVBQESA-N 0 0 282.227 1.169 20 5 CDBDRN CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCCN(C)C1=O ZINC000886306818 734989528 /nfs/dbraw/zinc/98/95/28/734989528.db2.gz BDYRUIUQBUYOQX-GFCCVEGCSA-N 0 0 292.339 1.433 20 5 CDBDRN 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1.578 20 5 CDBDRN C[C@H]1OCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1C ZINC000166775159 364016896 /nfs/dbraw/zinc/01/68/96/364016896.db2.gz CDOQFTGLCJHQHX-DTWKUNHWSA-N 0 0 279.296 1.426 20 5 CDBDRN C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CO1 ZINC000581885521 364050177 /nfs/dbraw/zinc/05/01/77/364050177.db2.gz CWHXFASVOXWYHF-XPUUQOCRSA-N 0 0 256.283 1.564 20 5 CDBDRN C[C@H](CO)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266185023 370749063 /nfs/dbraw/zinc/74/90/63/370749063.db2.gz BAYWHINVCPQFEG-VIFPVBQESA-N 0 0 295.295 1.592 20 5 CDBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)c1nncs1 ZINC000361291466 364263983 /nfs/dbraw/zinc/26/39/83/364263983.db2.gz XUYCITHTLFBDGC-UHFFFAOYSA-N 0 0 296.283 1.791 20 5 CDBDRN CCn1ccnc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456376030 364279734 /nfs/dbraw/zinc/27/97/34/364279734.db2.gz HKYKEUDGGYLDQH-MRVPVSSYSA-N 0 0 277.284 1.630 20 5 CDBDRN CCn1ccnc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000456380272 364280521 /nfs/dbraw/zinc/28/05/21/364280521.db2.gz JNWGRIGSBUIZPL-SECBINFHSA-N 0 0 291.311 1.641 20 5 CDBDRN COC(=O)C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000070496963 283762526 /nfs/dbraw/zinc/76/25/26/283762526.db2.gz ROHUDFYGISLNES-UHFFFAOYSA-N 0 0 279.296 1.688 20 5 CDBDRN O=C(NC[C@H]1CCCO1)c1csc([N+](=O)[O-])c1 ZINC000042565229 364598313 /nfs/dbraw/zinc/59/83/13/364598313.db2.gz QVUPEPSBKIBRNZ-MRVPVSSYSA-N 0 0 256.283 1.565 20 5 CDBDRN CC(C)OC(=O)[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000456615283 364656633 /nfs/dbraw/zinc/65/66/33/364656633.db2.gz NLRGSKMJBIPLLE-QMMMGPOBSA-N 0 0 298.270 1.804 20 5 CDBDRN Cc1c(NC(=O)NC[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000264255249 364783134 /nfs/dbraw/zinc/78/31/34/364783134.db2.gz GMZJLSZLHJVYEZ-QMMMGPOBSA-N 0 0 267.285 1.653 20 5 CDBDRN Cc1c(OC[C@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000412987077 240465848 /nfs/dbraw/zinc/46/58/48/240465848.db2.gz AJDYBWWHPWQPGY-SNVBAGLBSA-N 0 0 264.281 1.808 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000275340700 193004353 /nfs/dbraw/zinc/00/43/53/193004353.db2.gz HNHYOWOAKRXKRZ-PSASIEDQSA-N 0 0 296.327 1.161 20 5 CDBDRN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)n1 ZINC000573123223 365192702 /nfs/dbraw/zinc/19/27/02/365192702.db2.gz AZAIWNSNUBNDOK-MRVPVSSYSA-N 0 0 296.327 1.170 20 5 CDBDRN Cc1cc(CNc2ncc([N+](=O)[O-])cc2F)n(C)n1 ZINC000413288286 240611120 /nfs/dbraw/zinc/61/11/20/240611120.db2.gz HDSLNWGMYTWPRT-UHFFFAOYSA-N 0 0 265.248 1.783 20 5 CDBDRN CCS(=O)(=O)NCCNc1cccc(C)c1[N+](=O)[O-] ZINC000275472904 193051279 /nfs/dbraw/zinc/05/12/79/193051279.db2.gz OHUNKLQLZABLLE-UHFFFAOYSA-N 0 0 287.341 1.254 20 5 CDBDRN CC(C)(O)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000275469183 193051697 /nfs/dbraw/zinc/05/16/97/193051697.db2.gz ZVADULWHXAVVET-UHFFFAOYSA-N 0 0 251.286 1.746 20 5 CDBDRN CC(C)OCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270455744 366881960 /nfs/dbraw/zinc/88/19/60/366881960.db2.gz NYPSDCSNJKKJKA-UHFFFAOYSA-N 0 0 266.297 1.679 20 5 CDBDRN CCOC(=O)C[C@@H](C)CNc1c([N+](=O)[O-])ncn1C 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O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC(O)(C2CC2)C1 ZINC000089664933 366903230 /nfs/dbraw/zinc/90/32/30/366903230.db2.gz DPZXRPUDMBVRFB-UHFFFAOYSA-N 0 0 296.710 1.845 20 5 CDBDRN COC(=O)C[C@@H](C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089767674 366929625 /nfs/dbraw/zinc/92/96/25/366929625.db2.gz UPTUHWRTKXCXRH-SNVBAGLBSA-N 0 0 294.307 1.453 20 5 CDBDRN CC1(C)C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C(=O)O1 ZINC000270808514 366933070 /nfs/dbraw/zinc/93/30/70/366933070.db2.gz GRWLEZHLYVJRGZ-VIFPVBQESA-N 0 0 296.254 1.558 20 5 CDBDRN C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000414071612 241053844 /nfs/dbraw/zinc/05/38/44/241053844.db2.gz NEKCKDHDCMQEHS-ZJUUUORDSA-N 0 0 296.298 1.967 20 5 CDBDRN CC[C@]1(CO)CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000275198803 366987139 /nfs/dbraw/zinc/98/71/39/366987139.db2.gz GORSMEZLOUYZKD-ZDUSSCGKSA-N 0 0 296.327 1.251 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOC[C@@H]1C1CC1 ZINC000089977574 366989670 /nfs/dbraw/zinc/98/96/70/366989670.db2.gz MKGAOQOKTTWDKZ-CQSZACIVSA-N 0 0 290.319 1.775 20 5 CDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@H]1C1CC1 ZINC000089971301 366991452 /nfs/dbraw/zinc/99/14/52/366991452.db2.gz DQLNDXXYULJVMU-CQSZACIVSA-N 0 0 290.319 1.775 20 5 CDBDRN CNC(=O)NCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090060098 367012284 /nfs/dbraw/zinc/01/22/84/367012284.db2.gz HSJHMSBMQFKOQY-VIFPVBQESA-N 0 0 294.311 1.009 20 5 CDBDRN O=[N+]([O-])c1cccnc1N[C@H]1CCC[C@@H]1CCO ZINC000274991652 367012469 /nfs/dbraw/zinc/01/24/69/367012469.db2.gz DTCOGALZSBVULN-ZJUUUORDSA-N 0 0 251.286 1.953 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@@H]2COC3(CCOCC3)O2)nc1 ZINC000271915147 367035805 /nfs/dbraw/zinc/03/58/05/367035805.db2.gz BPMOMCGCJHLATB-LLVKDONJSA-N 0 0 295.295 1.324 20 5 CDBDRN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000094819710 367096622 /nfs/dbraw/zinc/09/66/22/367096622.db2.gz KCUUJXHWWAEIRB-HTQZYQBOSA-N 0 0 298.320 1.537 20 5 CDBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)C1CCC1 ZINC000348308727 367103330 /nfs/dbraw/zinc/10/33/30/367103330.db2.gz LFVLSOIJRQFGPZ-UHFFFAOYSA-N 0 0 266.301 1.501 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)CCO)co2)cc1 ZINC000272116757 367103975 /nfs/dbraw/zinc/10/39/75/367103975.db2.gz QNYZSCSTEVPWRL-HXUWFJFHSA-N 0 0 296.304 1.491 20 5 CDBDRN COCCC1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CCC1 ZINC000357745580 367181677 /nfs/dbraw/zinc/18/16/77/367181677.db2.gz KJDJDJYCEKAVDG-UHFFFAOYSA-N 0 0 268.273 1.007 20 5 CDBDRN CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297600731 367462494 /nfs/dbraw/zinc/46/24/94/367462494.db2.gz NKRARNPGYJGLKT-GXSJLCMTSA-N 0 0 281.312 1.726 20 5 CDBDRN O=C([C@H]1CCCC(=O)N1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270317961 296100740 /nfs/dbraw/zinc/10/07/40/296100740.db2.gz UVLNRZBIKUCQGA-LLVKDONJSA-N 0 0 289.291 1.153 20 5 CDBDRN CC[C@H](Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000416917753 242223648 /nfs/dbraw/zinc/22/36/48/242223648.db2.gz RDBORBZXXXUXRC-LLVKDONJSA-N 0 0 293.279 1.837 20 5 CDBDRN C[C@@H](CO)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301113844 367817646 /nfs/dbraw/zinc/81/76/46/367817646.db2.gz UIQUSKCSTZKWHA-SECBINFHSA-N 0 0 293.323 1.527 20 5 CDBDRN CC(=O)NCCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121682686 367978754 /nfs/dbraw/zinc/97/87/54/367978754.db2.gz PGGTUJFVWSOBFD-UHFFFAOYSA-N 0 0 273.239 1.811 20 5 CDBDRN COC[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)OC ZINC000272764331 368089156 /nfs/dbraw/zinc/08/91/56/368089156.db2.gz PWTLZEQBWOWMPA-MRVPVSSYSA-N 0 0 274.298 1.048 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC=CCC1 ZINC000170674813 368442156 /nfs/dbraw/zinc/44/21/56/368442156.db2.gz VHHFCBWSNAKLEZ-SNVBAGLBSA-N 0 0 279.300 1.199 20 5 CDBDRN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000456302762 252425675 /nfs/dbraw/zinc/42/56/75/252425675.db2.gz SNDSHLCUTXVXNX-IUCAKERBSA-N 0 0 266.301 1.648 20 5 CDBDRN C[C@](CO)(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000276037808 193196201 /nfs/dbraw/zinc/19/62/01/193196201.db2.gz XAQMEWNZVLJGHB-CQSZACIVSA-N 0 0 295.339 1.984 20 5 CDBDRN C[C@@H]1CN(C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330674813 203104762 /nfs/dbraw/zinc/10/47/62/203104762.db2.gz QXUYDXJEZRHQSK-LLVKDONJSA-N 0 0 293.323 1.136 20 5 CDBDRN Cc1cnc(OC[C@@H]2COCCO2)c([N+](=O)[O-])c1 ZINC000330739043 203174905 /nfs/dbraw/zinc/17/49/05/203174905.db2.gz ZXYVVUANFLZNEL-VIFPVBQESA-N 0 0 254.242 1.092 20 5 CDBDRN COCCCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420585774 244266512 /nfs/dbraw/zinc/26/65/12/244266512.db2.gz MZULMQJPEAEFJT-UHFFFAOYSA-N 0 0 267.285 1.532 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@]1(C)CCO[C@H]1C ZINC000330857922 203319150 /nfs/dbraw/zinc/31/91/50/203319150.db2.gz UPUKKHLCOBHURZ-TVQRCGJNSA-N 0 0 296.327 1.174 20 5 CDBDRN Cc1nn(Cc2ccc(F)cn2)c(C)c1[N+](=O)[O-] ZINC000276134834 193221813 /nfs/dbraw/zinc/22/18/13/193221813.db2.gz NJCSODSKNQGXSK-UHFFFAOYSA-N 0 0 250.233 1.991 20 5 CDBDRN C[C@@H]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2N)=NO1 ZINC000276368439 193302344 /nfs/dbraw/zinc/30/23/44/193302344.db2.gz NWIWBPQOXXYJIG-ZCFIWIBFSA-N 0 0 264.241 1.029 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CC1 ZINC000170838364 369680214 /nfs/dbraw/zinc/68/02/14/369680214.db2.gz IUFWSHIDXCWHBK-LURJTMIESA-N 0 0 251.242 1.224 20 5 CDBDRN Cc1nn(C)c(C(=O)NC[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331067826 203511900 /nfs/dbraw/zinc/51/19/00/203511900.db2.gz GXPQPWXAABMNFH-SCZZXKLOSA-N 0 0 280.328 1.803 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)[C@H]2CCCOC2)n1 ZINC000331077116 203521401 /nfs/dbraw/zinc/52/14/01/203521401.db2.gz JEEVHKYLWWLAQO-NSHDSACASA-N 0 0 294.307 1.981 20 5 CDBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(=O)CC1 ZINC000037669239 369786204 /nfs/dbraw/zinc/78/62/04/369786204.db2.gz DJPUXZRQZWDQAA-UHFFFAOYSA-N 0 0 266.228 1.539 20 5 CDBDRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)O)cc1[N+](=O)[O-] ZINC000276609277 193398944 /nfs/dbraw/zinc/39/89/44/193398944.db2.gz ZEGTXPFILZTKCO-BDAKNGLRSA-N 0 0 252.270 1.461 20 5 CDBDRN COC(=O)c1cc(OC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000193387124 370024695 /nfs/dbraw/zinc/02/46/95/370024695.db2.gz RVYXAVMOWJHSGZ-SSDOTTSWSA-N 0 0 255.226 1.141 20 5 CDBDRN C[C@H](NC(=O)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000295379939 370098485 /nfs/dbraw/zinc/09/84/85/370098485.db2.gz PKZQWIUEOAIUFU-ONGXEEELSA-N 0 0 264.281 1.809 20 5 CDBDRN Cc1nn(C)c(NC[C@H](C)Cn2cccn2)c1[N+](=O)[O-] ZINC000301250646 370210725 /nfs/dbraw/zinc/21/07/25/370210725.db2.gz MKSQBDQZJRZFEF-VIFPVBQESA-N 0 0 278.316 1.581 20 5 CDBDRN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC(F)F ZINC000295463212 370298217 /nfs/dbraw/zinc/29/82/17/370298217.db2.gz YPZDUMNOXSJMMM-UHFFFAOYSA-N 0 0 286.234 1.939 20 5 CDBDRN Cc1c(CC(=O)NC[C@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000295496664 370417158 /nfs/dbraw/zinc/41/71/58/370417158.db2.gz SCTSYOVGIFABCG-LLVKDONJSA-N 0 0 294.351 1.971 20 5 CDBDRN COc1cc(N[C@@H]2C=C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000277287676 193609586 /nfs/dbraw/zinc/60/95/86/193609586.db2.gz ULGIYRTTXPLOCO-VHSXEESVSA-N 0 0 264.281 1.952 20 5 CDBDRN Cc1nc(N(C)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000295589596 370505345 /nfs/dbraw/zinc/50/53/45/370505345.db2.gz SQDQJNPIFKZMMK-UHFFFAOYSA-N 0 0 259.269 1.725 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000295601761 370516018 /nfs/dbraw/zinc/51/60/18/370516018.db2.gz SNORKKYCOZFDMD-QMMMGPOBSA-N 0 0 298.368 1.848 20 5 CDBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000089203970 370537099 /nfs/dbraw/zinc/53/70/99/370537099.db2.gz SPFZNTYNUJBNIS-JTQLQIEISA-N 0 0 276.252 1.589 20 5 CDBDRN CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351139175 370559745 /nfs/dbraw/zinc/55/97/45/370559745.db2.gz IMXQSPPMZAVHMR-UHFFFAOYSA-N 0 0 269.232 1.199 20 5 CDBDRN COc1ccc(C(=O)N2CCO[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000331360329 203762086 /nfs/dbraw/zinc/76/20/86/203762086.db2.gz XROUWUJLIBHCKP-SNVBAGLBSA-N 0 0 298.270 1.414 20 5 CDBDRN Cc1nc(NC[C@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000295627950 370526861 /nfs/dbraw/zinc/52/68/61/370526861.db2.gz 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CC(C)(C)[C@H](CC(=O)[O-])[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC001589710221 987832192 /nfs/dbraw/zinc/83/21/92/987832192.db2.gz ISOUWNGOHQTESG-JTQLQIEISA-N 0 0 281.312 1.969 20 5 CDBDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599326287 997670009 /nfs/dbraw/zinc/67/00/09/997670009.db2.gz CKFYDNRJJDGLGJ-TXEJJXNPSA-N 0 0 294.307 1.902 20 5 CDBDRN CC[NH2+][C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001577887220 1171758362 /nfs/dbraw/zinc/75/83/62/1171758362.db2.gz VINWWEVPGSBTDL-MRVPVSSYSA-N 0 0 267.285 1.028 20 5 CDBDRN O=C(NC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601002074 342457520 /nfs/dbraw/zinc/45/75/20/342457520.db2.gz JAXDERQWHUPIGQ-UHFFFAOYSA-N 0 0 268.244 1.643 20 5 CDBDRN COc1ccc(CNC(=O)C2CSC2)cc1[N+](=O)[O-] ZINC000601005587 342457819 /nfs/dbraw/zinc/45/78/19/342457819.db2.gz HFGKSANQMKRBEL-UHFFFAOYSA-N 0 0 282.321 1.583 20 5 CDBDRN C[C@@H]1OCC[C@@H]1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000601082177 342462678 /nfs/dbraw/zinc/46/26/78/342462678.db2.gz YWJKFDBJKPEQAP-VHSXEESVSA-N 0 0 267.281 1.891 20 5 CDBDRN CCn1nncc1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000600158856 341981457 /nfs/dbraw/zinc/98/14/57/341981457.db2.gz OPDMNEHVDDYUHD-UHFFFAOYSA-N 0 0 289.295 1.445 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCOC[C@@H]1c1ccco1 ZINC000586783762 342468803 /nfs/dbraw/zinc/46/88/03/342468803.db2.gz NXXASIOAILDBBM-SECBINFHSA-N 0 0 292.251 1.125 20 5 CDBDRN CN(C(=O)CCCn1ccnc1)c1ccc([N+](=O)[O-])nc1 ZINC000588984111 342476217 /nfs/dbraw/zinc/47/62/17/342476217.db2.gz RRGISOVUQMCQAZ-UHFFFAOYSA-N 0 0 289.295 1.630 20 5 CDBDRN C[C@@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000601168009 342485594 /nfs/dbraw/zinc/48/55/94/342485594.db2.gz LCKWTYJHKPAQRG-ZDUSSCGKSA-N 0 0 282.271 1.890 20 5 CDBDRN COCC1CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000601186351 342489363 /nfs/dbraw/zinc/48/93/63/342489363.db2.gz NALXBWWLNQCXBS-UHFFFAOYSA-N 0 0 280.309 1.682 20 5 CDBDRN NS(=O)(=O)c1cccc(N2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000588066852 342492014 /nfs/dbraw/zinc/49/20/14/342492014.db2.gz ZUUZJAXUGQCTNU-SCZZXKLOSA-N 0 0 297.336 1.231 20 5 CDBDRN O=[N+]([O-])c1ccc2nccc(N3C[C@H](O)C[C@@H]3CO)c2c1 ZINC000601136091 342476476 /nfs/dbraw/zinc/47/64/76/342476476.db2.gz ODDXEXXNVMYQPK-GHMZBOCLSA-N 0 0 289.291 1.075 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCOCC2)c1 ZINC000166540602 342501960 /nfs/dbraw/zinc/50/19/60/342501960.db2.gz OXYPFCBJMQQVRM-UHFFFAOYSA-N 0 0 264.281 1.812 20 5 CDBDRN CN(c1ccc(N)c([N+](=O)[O-])n1)[C@@H]1CCCOC1 ZINC000401485973 342513656 /nfs/dbraw/zinc/51/36/56/342513656.db2.gz XGMJITGDVQOISE-MRVPVSSYSA-N 0 0 252.274 1.187 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NC1(C(F)F)CCCC1 ZINC000589117064 342497151 /nfs/dbraw/zinc/49/71/51/342497151.db2.gz CMHOKBOYVHDBCK-UHFFFAOYSA-N 0 0 288.254 1.485 20 5 CDBDRN CO[C@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000599194010 343978240 /nfs/dbraw/zinc/97/82/40/343978240.db2.gz NJYQXQNKTQNKJL-LJGSYFOKSA-N 0 0 257.677 1.654 20 5 CDBDRN O=C(N[C@H]1CCC(=O)NC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070161562 361734784 /nfs/dbraw/zinc/73/47/84/361734784.db2.gz SKDQPMZPZRYSJF-QMMMGPOBSA-N 0 0 297.698 1.257 20 5 CDBDRN CCC[C@H](CCO)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000601222315 342526506 /nfs/dbraw/zinc/52/65/06/342526506.db2.gz KFVHSXXOZFGJDJ-SECBINFHSA-N 0 0 269.301 1.214 20 5 CDBDRN CC[C@](C)(O)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601260725 342539770 /nfs/dbraw/zinc/53/97/70/342539770.db2.gz FBQBSEBGTKLNRW-LBPRGKRZSA-N 0 0 270.260 1.625 20 5 CDBDRN CN(CCNc1ccc([N+](=O)[O-])cn1)CC(F)F ZINC000599201637 343980310 /nfs/dbraw/zinc/98/03/10/343980310.db2.gz GGSHPUXZANBGCK-UHFFFAOYSA-N 0 0 260.244 1.021 20 5 CDBDRN CC1(C)[C@H](O)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601468361 342565412 /nfs/dbraw/zinc/56/54/12/342565412.db2.gz BRUOETOAUMEXFP-VHSXEESVSA-N 0 0 282.271 1.623 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC(=O)N1C ZINC000590551801 342576447 /nfs/dbraw/zinc/57/64/47/342576447.db2.gz YDFDFBPJAFYEPE-NSHDSACASA-N 0 0 291.307 1.771 20 5 CDBDRN CCC[C@H](O)CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000590585328 342576862 /nfs/dbraw/zinc/57/68/62/342576862.db2.gz ODOHCKGDWDJDHA-QMMMGPOBSA-N 0 0 283.284 1.349 20 5 CDBDRN O=[N+]([O-])c1cncc(Cl)c1N1CCc2n[nH]cc2C1 ZINC000590571500 342577132 /nfs/dbraw/zinc/57/71/32/342577132.db2.gz PUTRVTQSAXZTLC-UHFFFAOYSA-N 0 0 279.687 1.929 20 5 CDBDRN Cc1nc(N2CC[C@@H]([C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC000590695144 342583558 /nfs/dbraw/zinc/58/35/58/342583558.db2.gz ZRZACDFHHFCXBF-MNOVXSKESA-N 0 0 278.312 1.556 20 5 CDBDRN O=[N+]([O-])c1ccc2ncnc(N[C@H]3C[C@@H](O)C3)c2c1 ZINC000590737063 342586061 /nfs/dbraw/zinc/58/60/61/342586061.db2.gz HSTLNYGCSRNPBL-OTSSQURYSA-N 0 0 260.253 1.473 20 5 CDBDRN CC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000590738263 342586243 /nfs/dbraw/zinc/58/62/43/342586243.db2.gz PCSJUJQIIVRMPY-JTQLQIEISA-N 0 0 289.295 1.475 20 5 CDBDRN CC(C)Oc1nc(N2CC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000573219889 361805470 /nfs/dbraw/zinc/80/54/70/361805470.db2.gz QAAIHKFXXUPXAP-SECBINFHSA-N 0 0 294.311 1.089 20 5 CDBDRN CC(C)[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162365652 342073171 /nfs/dbraw/zinc/07/31/71/342073171.db2.gz ZDZXNWOOYGHHIW-UHFFFAOYSA-N 0 0 294.311 1.218 20 5 CDBDRN CC(C)Oc1nc(N2CC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000565314897 365635069 /nfs/dbraw/zinc/63/50/69/365635069.db2.gz XFMRYGWZYURNQZ-ZDUSSCGKSA-N 0 0 281.312 1.738 20 5 CDBDRN Cn1ccnc1[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432174 365646299 /nfs/dbraw/zinc/64/62/99/365646299.db2.gz YRERKHFQWLQPPV-JTQLQIEISA-N 0 0 290.327 1.051 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cocn1 ZINC000609343741 342103439 /nfs/dbraw/zinc/10/34/39/342103439.db2.gz FSBAIYQKNVPYGQ-UHFFFAOYSA-N 0 0 261.237 1.821 20 5 CDBDRN CC(C)[C@@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591151364 342618458 /nfs/dbraw/zinc/61/84/58/342618458.db2.gz KDRFCBXRAPQGSS-SNVBAGLBSA-N 0 0 282.275 1.090 20 5 CDBDRN Cc1nc(N2CCC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000591200919 342621324 /nfs/dbraw/zinc/62/13/24/342621324.db2.gz SCWJCSYSGZHIBV-MNOVXSKESA-N 0 0 265.313 1.895 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[S@@](=O)C2)n1 ZINC000611616777 346838262 /nfs/dbraw/zinc/83/82/62/346838262.db2.gz GIZNDYLIUMKGRG-DYBLOJMWSA-N 0 0 269.326 1.540 20 5 CDBDRN CC[C@](C)(O)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192659011 529377533 /nfs/dbraw/zinc/37/75/33/529377533.db2.gz AVBMZBNPEJOQMA-ZDUSSCGKSA-N 0 0 282.296 1.494 20 5 CDBDRN O=C(Nc1cccc(-n2cnnn2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340571245 361837679 /nfs/dbraw/zinc/83/76/79/361837679.db2.gz PIXIKRTWGCDBIB-UHFFFAOYSA-N 0 0 299.250 1.151 20 5 CDBDRN O=C(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)N1CCCC1 ZINC000592350036 342684556 /nfs/dbraw/zinc/68/45/56/342684556.db2.gz QGIJDXUREKPPAN-UHFFFAOYSA-N 0 0 291.263 1.125 20 5 CDBDRN CC[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070251340 361870980 /nfs/dbraw/zinc/87/09/80/361870980.db2.gz QBPJUHFGCGYKCH-VIFPVBQESA-N 0 0 272.326 1.813 20 5 CDBDRN O=C(COCC1CCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000455992103 361890664 /nfs/dbraw/zinc/89/06/64/361890664.db2.gz PCYAIAWERRKNEZ-UHFFFAOYSA-N 0 0 296.327 1.114 20 5 CDBDRN CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340603226 361879705 /nfs/dbraw/zinc/87/97/05/361879705.db2.gz BQYWQXWGPZXOHN-UHFFFAOYSA-N 0 0 260.253 1.590 20 5 CDBDRN C[C@@H](CCO)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593182249 342775959 /nfs/dbraw/zinc/77/59/59/342775959.db2.gz DEDKCODHVXEDBD-VIFPVBQESA-N 0 0 267.285 1.829 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccco2)no1 ZINC000340655851 361910838 /nfs/dbraw/zinc/91/08/38/361910838.db2.gz NBBUHKVMDLNTBE-UHFFFAOYSA-N 0 0 261.197 1.638 20 5 CDBDRN CC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](CC)CO1 ZINC000593257960 342781676 /nfs/dbraw/zinc/78/16/76/342781676.db2.gz WVPJRMQEFHANKB-GHMZBOCLSA-N 0 0 296.327 1.207 20 5 CDBDRN CCOc1cc(N[C@@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000323138455 342797811 /nfs/dbraw/zinc/79/78/11/342797811.db2.gz WMGGTWPWCCCSJV-KOLCDFICSA-N 0 0 268.269 1.165 20 5 CDBDRN Cc1cc(N2CC(N3CC[C@@H](O)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000593503430 342808976 /nfs/dbraw/zinc/80/89/76/342808976.db2.gz KGEYTBNVXHCUEO-LLVKDONJSA-N 0 0 295.314 1.298 20 5 CDBDRN C[C@@H](O)[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593592795 342815205 /nfs/dbraw/zinc/81/52/05/342815205.db2.gz OALQKAIQCOOOPH-KOLCDFICSA-N 0 0 296.298 1.506 20 5 CDBDRN CC1(C)[C@@H](O)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593621452 342816494 /nfs/dbraw/zinc/81/64/94/342816494.db2.gz TXHSVUIKCNJSLQ-RYUDHWBXSA-N 0 0 296.298 1.552 20 5 CDBDRN C[C@@](O)(CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000078376106 342204016 /nfs/dbraw/zinc/20/40/16/342204016.db2.gz BBVAYBUZPZWCTF-GFCCVEGCSA-N 0 0 263.253 1.902 20 5 CDBDRN C[C@H](N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000593735326 342830815 /nfs/dbraw/zinc/83/08/15/342830815.db2.gz UXQSSZZOYOKXKQ-VIFPVBQESA-N 0 0 298.314 1.894 20 5 CDBDRN CO[C@]1(C)C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1(C)C ZINC000125482048 187187168 /nfs/dbraw/zinc/18/71/68/187187168.db2.gz QQZZLZCGBLCXKE-TVQRCGJNSA-N 0 0 296.327 1.262 20 5 CDBDRN Cc1n[nH]c(C(=O)NC2CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000593883758 342844625 /nfs/dbraw/zinc/84/46/25/342844625.db2.gz HAFRDWKUXPXFLD-UHFFFAOYSA-N 0 0 264.285 1.689 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H]1C(F)F ZINC000345787241 361996913 /nfs/dbraw/zinc/99/69/13/361996913.db2.gz BQPRJIXPCAESDJ-JGVFFNPUSA-N 0 0 288.254 1.260 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CCF ZINC000593861938 342846931 /nfs/dbraw/zinc/84/69/31/342846931.db2.gz JVQBYVYCIGQEBH-VIFPVBQESA-N 0 0 270.260 1.354 20 5 CDBDRN NC(=O)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000588805139 342221889 /nfs/dbraw/zinc/22/18/89/342221889.db2.gz DWUNRSHZBPMTGP-QMMMGPOBSA-N 0 0 295.270 1.071 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@@H](O)C1 ZINC000600504331 342228637 /nfs/dbraw/zinc/22/86/37/342228637.db2.gz 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299.352 1.220 20 5 CDBDRN O=C1CN(Cc2c(F)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000447906515 374722271 /nfs/dbraw/zinc/72/22/71/374722271.db2.gz XRUKCAKNRHHWBE-UHFFFAOYSA-N 0 0 279.271 1.498 20 5 CDBDRN Cc1cc(N2C[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276698684 374743567 /nfs/dbraw/zinc/74/35/67/374743567.db2.gz HYVVQDCXRXARKV-MNOVXSKESA-N 0 0 250.298 1.968 20 5 CDBDRN CCC[C@](C)(CO)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124646869 374832955 /nfs/dbraw/zinc/83/29/55/374832955.db2.gz DXPYHVUQYIZVDR-GFCCVEGCSA-N 0 0 282.300 1.662 20 5 CDBDRN CCC(=O)[C@@H]1CCCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000331051479 374881523 /nfs/dbraw/zinc/88/15/23/374881523.db2.gz LXRSMKSKAKBFSD-VIFPVBQESA-N 0 0 294.311 1.302 20 5 CDBDRN COc1c(C(=O)N2C[C@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331068629 374885733 /nfs/dbraw/zinc/88/57/33/374885733.db2.gz QZJZYVUJNRGCNU-RKDXNWHRSA-N 0 0 280.280 1.199 20 5 CDBDRN O=C(N[C@H]1CCCSC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278191764 374834311 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COC[C@@H](CCO)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352762471 375535564 /nfs/dbraw/zinc/53/55/64/375535564.db2.gz WJYYDXDCPPOHBB-SNVBAGLBSA-N 0 0 297.311 1.422 20 5 CDBDRN NC(=O)c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)co1 ZINC000352920630 375552730 /nfs/dbraw/zinc/55/27/30/375552730.db2.gz FVKWTVLTEBWXFA-UHFFFAOYSA-N 0 0 289.247 1.217 20 5 CDBDRN C[C@@H]1CCC[C@]1(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000293982690 375554308 /nfs/dbraw/zinc/55/43/08/375554308.db2.gz CBDNROVEWXSVFG-ABAIWWIYSA-N 0 0 292.335 1.805 20 5 CDBDRN CCC1(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296326411 375560193 /nfs/dbraw/zinc/56/01/93/375560193.db2.gz XKJXJFBTRCPOPW-UHFFFAOYSA-N 0 0 277.280 1.592 20 5 CDBDRN CNC(=O)Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000162967240 375569167 /nfs/dbraw/zinc/56/91/67/375569167.db2.gz UFRVDBWYIMQETC-VOTSOKGWSA-N 0 0 288.263 1.437 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCN2CCOCC2)c(Cl)c1 ZINC000227647750 375584113 /nfs/dbraw/zinc/58/41/13/375584113.db2.gz FBRDYQPBFMPQMY-UHFFFAOYSA-N 0 0 286.719 1.387 20 5 CDBDRN Cn1c(C(=O)Nc2nc3cccnc3[nH]2)ccc1[N+](=O)[O-] ZINC000426616965 247045296 /nfs/dbraw/zinc/04/52/96/247045296.db2.gz ZFJMPTMNBUTUSA-UHFFFAOYSA-N 0 0 286.251 1.457 20 5 CDBDRN CO[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1(C)C ZINC000227822480 375625696 /nfs/dbraw/zinc/62/56/96/375625696.db2.gz CBJIUTHRTUMORZ-BDAKNGLRSA-N 0 0 268.317 1.862 20 5 CDBDRN CCOC(=O)[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000427214331 247114852 /nfs/dbraw/zinc/11/48/52/247114852.db2.gz YQNVERGNFHFFRQ-MRVPVSSYSA-N 0 0 298.270 1.663 20 5 CDBDRN CCCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354536666 375721687 /nfs/dbraw/zinc/72/16/87/375721687.db2.gz FJQZRQCBGPFFRH-UHFFFAOYSA-N 0 0 283.328 1.556 20 5 CDBDRN Cc1nc(N2C[C@@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000398774396 375712650 /nfs/dbraw/zinc/71/26/50/375712650.db2.gz FLEPWNRKTHPGKV-ONGXEEELSA-N 0 0 265.313 1.753 20 5 CDBDRN CC(C)CNC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000003572631 375752611 /nfs/dbraw/zinc/75/26/11/375752611.db2.gz AMOQIWSTGRGIQY-UHFFFAOYSA-N 0 0 270.260 1.885 20 5 CDBDRN O=Cc1ccc([N+](=O)[O-])c(OCCC2OCCO2)c1 ZINC000163679850 375762492 /nfs/dbraw/zinc/76/24/92/375762492.db2.gz OBMRZFYVXRMSIN-UHFFFAOYSA-N 0 0 267.237 1.549 20 5 CDBDRN Cc1cc(C(=O)NC[C@@]2(O)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000228693606 375795985 /nfs/dbraw/zinc/79/59/85/375795985.db2.gz WQTCWBBRVPBZIK-YGRLFVJLSA-N 0 0 294.307 1.173 20 5 CDBDRN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000428611751 247334888 /nfs/dbraw/zinc/33/48/88/247334888.db2.gz IUNVVKGGTJOKQY-RKDXNWHRSA-N 0 0 282.300 1.002 20 5 CDBDRN COCCOC[C@@H](O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000296347942 375845754 /nfs/dbraw/zinc/84/57/54/375845754.db2.gz UTDOWLKGVPCGOU-LLVKDONJSA-N 0 0 285.296 1.306 20 5 CDBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C1CCOCC1 ZINC000357060433 375880297 /nfs/dbraw/zinc/88/02/97/375880297.db2.gz UPFFRPGQUOZEBI-JTQLQIEISA-N 0 0 296.327 1.263 20 5 CDBDRN CCC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000164452256 375893259 /nfs/dbraw/zinc/89/32/59/375893259.db2.gz HHGGCNLDPQZZTD-UHFFFAOYSA-N 0 0 266.301 1.488 20 5 CDBDRN CCNC(=O)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357263778 375894766 /nfs/dbraw/zinc/89/47/66/375894766.db2.gz UTDWMRHWUHOSFL-VIFPVBQESA-N 0 0 279.296 1.298 20 5 CDBDRN COc1cc(NCCOCCO)c(F)cc1[N+](=O)[O-] ZINC000218837813 375906409 /nfs/dbraw/zinc/90/64/09/375906409.db2.gz FZZIJGIPINENKG-UHFFFAOYSA-N 0 0 274.248 1.163 20 5 CDBDRN C[C@H]1[C@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000356873794 375866080 /nfs/dbraw/zinc/86/60/80/375866080.db2.gz KMQGQKAYHXVWSQ-UWVGGRQHSA-N 0 0 295.314 1.899 20 5 CDBDRN CCO[C@@H](C)c1noc(Cn2c(C)ncc2[N+](=O)[O-])n1 ZINC000134314259 375955918 /nfs/dbraw/zinc/95/59/18/375955918.db2.gz NTKLWZKMJRDDQL-ZETCQYMHSA-N 0 0 281.272 1.629 20 5 CDBDRN C[C@H]1CCCC[C@H]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000358217214 375957168 /nfs/dbraw/zinc/95/71/68/375957168.db2.gz BCWVPQHSNVGLMX-UWVGGRQHSA-N 0 0 279.344 1.848 20 5 CDBDRN CN(Cc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000358324342 375959890 /nfs/dbraw/zinc/95/98/90/375959890.db2.gz BZOCBOIIZHUETA-UHFFFAOYSA-N 0 0 296.233 1.868 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2ncn(Cc3ccon3)n2)cc1 ZINC000357646902 375923861 /nfs/dbraw/zinc/92/38/61/375923861.db2.gz XOUPJFJPMMFRGE-UHFFFAOYSA-N 0 0 271.236 1.890 20 5 CDBDRN Cc1c(CNc2nccc(CO)n2)cccc1[N+](=O)[O-] ZINC000357868898 375937689 /nfs/dbraw/zinc/93/76/89/375937689.db2.gz WWAOMIIFHAGHSB-UHFFFAOYSA-N 0 0 274.280 1.798 20 5 CDBDRN C[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])n2C)CCOC1(C)C ZINC000357946227 375940845 /nfs/dbraw/zinc/94/08/45/375940845.db2.gz XOMITDSPSDEFMU-VIFPVBQESA-N 0 0 281.312 1.573 20 5 CDBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(C)n1 ZINC000358012512 375944445 /nfs/dbraw/zinc/94/44/45/375944445.db2.gz HZEZALPRYPCURS-UHFFFAOYSA-N 0 0 291.267 1.293 20 5 CDBDRN COc1c(CNCc2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000134288071 375950966 /nfs/dbraw/zinc/95/09/66/375950966.db2.gz SJFVHHYLXGFGOZ-UHFFFAOYSA-N 0 0 290.323 1.935 20 5 CDBDRN Cc1cc(C)nc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000347404218 376092425 /nfs/dbraw/zinc/09/24/25/376092425.db2.gz GMQUJDCHCIEDTC-UHFFFAOYSA-N 0 0 275.268 1.592 20 5 CDBDRN CNC(=O)c1ccc(N[C@H]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000296432506 376144272 /nfs/dbraw/zinc/14/42/72/376144272.db2.gz YMRFGXZMFMMVON-KOLCDFICSA-N 0 0 293.323 1.527 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC1(C)C ZINC000347520052 376353416 /nfs/dbraw/zinc/35/34/16/376353416.db2.gz LJTCJSWPBCOFLP-SSDOTTSWSA-N 0 0 252.274 1.104 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H]3CO)n2)cc1 ZINC000486935128 376304242 /nfs/dbraw/zinc/30/42/42/376304242.db2.gz CTTWEVTWSKPDGB-NSHDSACASA-N 0 0 290.279 1.606 20 5 CDBDRN O=C([C@H]1CCOC1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162000944 284567021 /nfs/dbraw/zinc/56/70/21/284567021.db2.gz NKTGFBMEVOJLPI-JTQLQIEISA-N 0 0 276.292 1.911 20 5 CDBDRN CCC(=O)Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000171258516 376504882 /nfs/dbraw/zinc/50/48/82/376504882.db2.gz YUCAHVZLCSMWJG-UHFFFAOYSA-N 0 0 276.090 1.841 20 5 CDBDRN CNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000066747975 376515714 /nfs/dbraw/zinc/51/57/14/376515714.db2.gz DQUGARHGKIJENV-UHFFFAOYSA-N 0 0 260.253 1.199 20 5 CDBDRN COc1ccc(CNC(=O)[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000347650173 376659534 /nfs/dbraw/zinc/65/95/34/376659534.db2.gz CNOCVEROLKEABU-CQSZACIVSA-N 0 0 294.307 1.646 20 5 CDBDRN COc1ccc(NC(=O)NCCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000433582350 248044251 /nfs/dbraw/zinc/04/42/51/248044251.db2.gz UMUOBWZYIJBMIU-SECBINFHSA-N 0 0 297.311 1.886 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CC(OC(F)F)C1 ZINC000435583106 248174320 /nfs/dbraw/zinc/17/43/20/248174320.db2.gz DUAAOPRUNFSBMS-UHFFFAOYSA-N 0 0 259.212 1.726 20 5 CDBDRN Cc1cc(OCC(=O)NCC(=O)C2CC2)ccc1[N+](=O)[O-] ZINC000435792753 248195360 /nfs/dbraw/zinc/19/53/60/248195360.db2.gz WPAPIGQHKVMYTO-UHFFFAOYSA-N 0 0 292.291 1.377 20 5 CDBDRN Cc1cc(C(=O)Nc2cccn(C)c2=O)ccc1[N+](=O)[O-] ZINC000074020974 376865599 /nfs/dbraw/zinc/86/55/99/376865599.db2.gz PXNABDMLVQHTCY-UHFFFAOYSA-N 0 0 287.275 1.854 20 5 CDBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)n1cncn1 ZINC000074382123 376881898 /nfs/dbraw/zinc/88/18/98/376881898.db2.gz XGSUCNPCFPLSKM-MRVPVSSYSA-N 0 0 261.241 1.386 20 5 CDBDRN O=C(N[C@H]1CCC[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134065615 377035208 /nfs/dbraw/zinc/03/52/08/377035208.db2.gz PPXKMYWLTSMFDI-QWRGUYRKSA-N 0 0 284.699 1.891 20 5 CDBDRN CC(C)NC(=O)c1ccc(NCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000264683199 190128789 /nfs/dbraw/zinc/12/87/89/190128789.db2.gz VTGFEMXUWOFKJO-UHFFFAOYSA-N 0 0 295.339 1.916 20 5 CDBDRN CCCNC(=O)CN(CCC)c1c([N+](=O)[O-])ncn1C ZINC000267075370 376987705 /nfs/dbraw/zinc/98/77/05/376987705.db2.gz RLPODVGYUQSGBZ-UHFFFAOYSA-N 0 0 283.332 1.071 20 5 CDBDRN CC(F)(F)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000294267997 377075953 /nfs/dbraw/zinc/07/59/53/377075953.db2.gz RNSYWGODZGAOOJ-UHFFFAOYSA-N 0 0 273.239 1.952 20 5 CDBDRN CC(C)(O)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274772872 377132863 /nfs/dbraw/zinc/13/28/63/377132863.db2.gz NGATXEUJMNWCHM-UHFFFAOYSA-N 0 0 267.285 1.267 20 5 CDBDRN O=c1ccncn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000129526376 377329725 /nfs/dbraw/zinc/32/97/25/377329725.db2.gz UKRNFSFTBIZIDD-UHFFFAOYSA-N 0 0 265.656 1.853 20 5 CDBDRN CCOc1cc(N2C[C@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000487110875 377526671 /nfs/dbraw/zinc/52/66/71/377526671.db2.gz NHKFIMNHTYTSGZ-KBPBESRZSA-N 0 0 296.323 1.844 20 5 CDBDRN CCO[C@@H]1C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172422592 377527691 /nfs/dbraw/zinc/52/76/91/377527691.db2.gz YZSYWPAIFUEMRV-ZWNOBZJWSA-N 0 0 276.292 1.909 20 5 CDBDRN CN(c1c([N+](=O)[O-])ncn1C)[C@H](CCO)c1ccccc1 ZINC000266846890 377562888 /nfs/dbraw/zinc/56/28/88/377562888.db2.gz JTFAPBHXEPPPJJ-GFCCVEGCSA-N 0 0 290.323 1.888 20 5 CDBDRN COCCN(CCOC)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172729665 377718128 /nfs/dbraw/zinc/71/81/28/377718128.db2.gz XBHNTNOBCLJWER-UHFFFAOYSA-N 0 0 296.323 1.638 20 5 CDBDRN CC1(C)CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000089314946 377821707 /nfs/dbraw/zinc/82/17/07/377821707.db2.gz JMSBNSUMTOGZRQ-UHFFFAOYSA-N 0 0 295.343 1.519 20 5 CDBDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547761192 377823023 /nfs/dbraw/zinc/82/30/23/377823023.db2.gz RMPMWGQGNAKURA-VHSXEESVSA-N 0 0 296.327 1.641 20 5 CDBDRN Nc1nccc(C(=O)N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000547727744 377827383 /nfs/dbraw/zinc/82/73/83/377827383.db2.gz HCUQOYSAYDPAFP-UHFFFAOYSA-N 0 0 284.275 1.605 20 5 CDBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)N(C)C)c1 ZINC000032212792 377915374 /nfs/dbraw/zinc/91/53/74/377915374.db2.gz UVLKOPRIAHGXEH-UHFFFAOYSA-N 0 0 297.336 1.135 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1C ZINC000173142104 377972509 /nfs/dbraw/zinc/97/25/09/377972509.db2.gz ADNGDXJMHLTHQQ-QMMMGPOBSA-N 0 0 252.274 1.111 20 5 CDBDRN Cn1cc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])cn1 ZINC000439111194 249660650 /nfs/dbraw/zinc/66/06/50/249660650.db2.gz XESVOZSVQFTSSN-UHFFFAOYSA-N 0 0 275.268 1.039 20 5 CDBDRN O=C(NCCn1cccc1)NCc1ccccc1[N+](=O)[O-] ZINC000439176277 249670278 /nfs/dbraw/zinc/67/02/78/249670278.db2.gz LMLPHHKMILPYCO-UHFFFAOYSA-N 0 0 288.307 1.896 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CCOC[C@H]2CC)c1[N+](=O)[O-] ZINC000192582744 378207315 /nfs/dbraw/zinc/20/73/15/378207315.db2.gz YBJZGNZTVSVXND-MRVPVSSYSA-N 0 0 282.300 1.131 20 5 CDBDRN COC(=O)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000015496622 378281380 /nfs/dbraw/zinc/28/13/80/378281380.db2.gz GLHDOQLQLFGFGL-UHFFFAOYSA-N 0 0 298.320 1.366 20 5 CDBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000193876483 378308280 /nfs/dbraw/zinc/30/82/80/378308280.db2.gz CWVGLNBZRJMFHA-UHFFFAOYSA-N 0 0 295.314 1.900 20 5 CDBDRN C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(=O)N(C)C ZINC000357647438 378691616 /nfs/dbraw/zinc/69/16/16/378691616.db2.gz CIDAZXZIBLQZIQ-SECBINFHSA-N 0 0 288.307 1.454 20 5 CDBDRN Cc1ccc(NCCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC000266963335 378941534 /nfs/dbraw/zinc/94/15/34/378941534.db2.gz IQRLFBISKILBMG-UHFFFAOYSA-N 0 0 299.352 1.351 20 5 CDBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnc[nH]1 ZINC000444635177 250155803 /nfs/dbraw/zinc/15/58/03/250155803.db2.gz JTQJMCPTWROQOG-UHFFFAOYSA-N 0 0 286.251 1.124 20 5 CDBDRN CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000445147144 250208002 /nfs/dbraw/zinc/20/80/02/250208002.db2.gz CSBICZXGGBWTGS-NSHDSACASA-N 0 0 295.295 1.192 20 5 CDBDRN Cc1nn(CC(=O)c2nccs2)c(C)c1[N+](=O)[O-] ZINC000447307490 250360544 /nfs/dbraw/zinc/36/05/44/250360544.db2.gz YRHSHHFSRKHTCZ-UHFFFAOYSA-N 0 0 266.282 1.748 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@H](C)CC(C)(C)OC)c1[N+](=O)[O-] ZINC000174186078 379392810 /nfs/dbraw/zinc/39/28/10/379392810.db2.gz LSZDJQBUVMSTQS-MRVPVSSYSA-N 0 0 298.343 1.814 20 5 CDBDRN CCC[C@@H](OC)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000448594664 250520516 /nfs/dbraw/zinc/52/05/16/250520516.db2.gz MZVJADCGGLRIIQ-CYBMUJFWSA-N 0 0 295.339 1.938 20 5 CDBDRN O=C(NCc1ccc[nH]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174319594 379452121 /nfs/dbraw/zinc/45/21/21/379452121.db2.gz XBYOXGWMEBHDCC-UHFFFAOYSA-N 0 0 285.263 1.729 20 5 CDBDRN CC1(C)CCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000174995006 379621478 /nfs/dbraw/zinc/62/14/78/379621478.db2.gz AJBPMNQACYZJBJ-JTQLQIEISA-N 0 0 266.301 1.486 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000279442838 194435383 /nfs/dbraw/zinc/43/53/83/194435383.db2.gz COYSKBYLEGXYFA-QWHCGFSZSA-N 0 0 292.339 1.876 20 5 CDBDRN CC[C@H](CC(C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000450164177 251156560 /nfs/dbraw/zinc/15/65/60/251156560.db2.gz ONJSRADDKZQCSE-LLVKDONJSA-N 0 0 282.344 1.980 20 5 CDBDRN C[C@@H](CO)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450237111 251185551 /nfs/dbraw/zinc/18/55/51/251185551.db2.gz JGXQJDCTYXNIGD-QMMMGPOBSA-N 0 0 279.321 1.933 20 5 CDBDRN Cc1nc(N(C)[C@H](C)C(=O)NC(C)(C)C)ncc1[N+](=O)[O-] ZINC000450451177 251290997 /nfs/dbraw/zinc/29/09/97/251290997.db2.gz FAZKXSXUGPMVKI-SECBINFHSA-N 0 0 295.343 1.433 20 5 CDBDRN CNc1cccnc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450487636 251307752 /nfs/dbraw/zinc/30/77/52/251307752.db2.gz DTFHWGHUHDGUPQ-UHFFFAOYSA-N 0 0 274.284 1.164 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CCCO)n1 ZINC000450597188 251357995 /nfs/dbraw/zinc/35/79/95/251357995.db2.gz OUXCTRZGHDYJNE-GFCCVEGCSA-N 0 0 294.355 1.557 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccnc(OC)n1 ZINC000450600563 251361558 /nfs/dbraw/zinc/36/15/58/251361558.db2.gz TVYGDXORQYQCQD-UHFFFAOYSA-N 0 0 292.299 1.530 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)CCO ZINC000279568852 194484706 /nfs/dbraw/zinc/48/47/06/194484706.db2.gz YLBNPVBPXDQIGZ-SECBINFHSA-N 0 0 282.296 1.873 20 5 CDBDRN CN(C)C(=O)CSCCc1ccc([N+](=O)[O-])cc1 ZINC000451078002 251598536 /nfs/dbraw/zinc/59/85/36/251598536.db2.gz CVKMODUAPHBCKB-UHFFFAOYSA-N 0 0 268.338 1.959 20 5 CDBDRN COc1ccc(NC(=O)CN2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000451202294 251636875 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C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)CO1 ZINC000402192624 940890619 /nfs/dbraw/zinc/89/06/19/940890619.db2.gz FISAMVLLYJULFY-NKWVEPMBSA-N 0 0 264.241 1.720 20 5 CDBDRN COC(=O)[C@H](CCO)OCc1ccccc1[N+](=O)[O-] ZINC001217837039 941022635 /nfs/dbraw/zinc/02/26/35/941022635.db2.gz TTYLXDONCCXYQJ-NSHDSACASA-N 0 0 269.253 1.035 20 5 CDBDRN Cc1cc(O[C@H]2CNCC2(F)F)cc([N+](=O)[O-])c1 ZINC001218233996 941047362 /nfs/dbraw/zinc/04/73/62/941047362.db2.gz BQHBACWGUUJVJU-JTQLQIEISA-N 0 0 258.224 1.889 20 5 CDBDRN COc1c(C(=O)OCc2csnn2)cccc1[N+](=O)[O-] ZINC001523884006 970773567 /nfs/dbraw/zinc/77/35/67/970773567.db2.gz ANPNFJCBRSXMRQ-UHFFFAOYSA-N 0 0 295.276 1.812 20 5 CDBDRN CCOC(=O)c1ccc(O[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001218359124 941209193 /nfs/dbraw/zinc/20/91/93/941209193.db2.gz IOIIZXSVTJFVIY-MGCOHNPYSA-N 0 0 281.264 1.674 20 5 CDBDRN O=c1cc(O[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218416068 941214318 /nfs/dbraw/zinc/21/43/18/941214318.db2.gz 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/nfs/dbraw/zinc/87/61/35/941876135.db2.gz VMZDTYJCWUMBPH-LLVKDONJSA-N 0 0 252.270 1.128 20 5 CDBDRN COC(=O)[C@@]1(C)C[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664444 941895513 /nfs/dbraw/zinc/89/55/13/941895513.db2.gz OHSFBKZJAPYVFJ-OGXFKERWSA-N 0 0 282.252 1.416 20 5 CDBDRN CCC(=O)[C@H](CC)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225666421 941897103 /nfs/dbraw/zinc/89/71/03/941897103.db2.gz IOTYEOJMZSUHLQ-VIFPVBQESA-N 0 0 254.242 1.832 20 5 CDBDRN C[C@H](O)C(=O)Oc1cccc([N+](=O)[O-])c1Br ZINC001225759140 941909154 /nfs/dbraw/zinc/90/91/54/941909154.db2.gz LIVOCKLWNPOKKG-YFKPBYRVSA-N 0 0 290.069 1.644 20 5 CDBDRN COc1ccc(OC2CN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001225770490 941911359 /nfs/dbraw/zinc/91/13/59/941911359.db2.gz WMLCVMKLXDJKRK-UHFFFAOYSA-N 0 0 266.253 1.213 20 5 CDBDRN CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCOC2=O)c1 ZINC001225804293 941915508 /nfs/dbraw/zinc/91/55/08/941915508.db2.gz PVXVZWCZMCOUII-SNVBAGLBSA-N 0 0 265.221 1.492 20 5 CDBDRN O=[N+]([O-])c1cccc(F)c1O[C@H]1CCS(=O)(=O)C1 ZINC001226006564 941939782 /nfs/dbraw/zinc/93/97/82/941939782.db2.gz GPSMSFJVAPMCTE-ZETCQYMHSA-N 0 0 275.257 1.300 20 5 CDBDRN CC(=O)Nc1cccnc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001226314209 941984692 /nfs/dbraw/zinc/98/46/92/941984692.db2.gz DCTHJXOBQIZHRT-LLVKDONJSA-N 0 0 265.269 1.474 20 5 CDBDRN O=[N+]([O-])c1ccc2ncnc(OC[C@H]3COCCO3)c2c1 ZINC001226435818 942004471 /nfs/dbraw/zinc/00/44/71/942004471.db2.gz FWKXPBWOGZHPLE-SNVBAGLBSA-N 0 0 291.263 1.332 20 5 CDBDRN C[C@@H](CON)Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226440900 942005344 /nfs/dbraw/zinc/00/53/44/942005344.db2.gz HOAFLONGETWNSJ-ZETCQYMHSA-N 0 0 264.241 1.196 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1COCO1 ZINC001226530583 942021708 /nfs/dbraw/zinc/02/17/08/942021708.db2.gz DQXOELNLTZRODE-JTQLQIEISA-N 0 0 267.237 1.549 20 5 CDBDRN CCOC(=O)[C@@H](Oc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC001226733878 942059961 /nfs/dbraw/zinc/05/99/61/942059961.db2.gz TVDJRMCDAABOHX-VIFPVBQESA-N 0 0 267.241 1.105 20 5 CDBDRN CCOC(=O)[C@@H](Oc1ncc(F)cc1[N+](=O)[O-])C1CC1 ZINC001226751617 942063268 /nfs/dbraw/zinc/06/32/68/942063268.db2.gz NHUKZXXOLKKOTA-JTQLQIEISA-N 0 0 284.243 1.849 20 5 CDBDRN O=[N+]([O-])c1cc(F)cnc1OC1CCN(CCF)CC1 ZINC001226757626 942064157 /nfs/dbraw/zinc/06/41/57/942064157.db2.gz WJSMGOBWYJFNBL-UHFFFAOYSA-N 0 0 287.266 1.942 20 5 CDBDRN CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762390 942064651 /nfs/dbraw/zinc/06/46/51/942064651.db2.gz RWUMZMDLBDILFA-UHFFFAOYSA-N 0 0 270.672 1.858 20 5 CDBDRN Cc1cc(O[C@H]2CCCOC2=O)ccc1[N+](=O)[O-] ZINC001226841816 942081902 /nfs/dbraw/zinc/08/19/02/942081902.db2.gz ORWQHSVLVSUYBQ-NSHDSACASA-N 0 0 251.238 1.988 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2[C@H]3C[C@@H]4C(=O)O[C@@H]2[C@H]4C3)n1 ZINC001227063074 942125296 /nfs/dbraw/zinc/12/52/96/942125296.db2.gz ZRSCRCQFJWTQAV-ACJPCYBHSA-N 0 0 290.275 1.627 20 5 CDBDRN COC(=O)C1CC(Oc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001227184080 942145864 /nfs/dbraw/zinc/14/58/64/942145864.db2.gz CQQMBCBBYBJQTD-UHFFFAOYSA-N 0 0 281.264 1.934 20 5 CDBDRN CC[C@@H](O)C(=O)Oc1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001227221058 942151948 /nfs/dbraw/zinc/15/19/48/942151948.db2.gz NJTDLCGVBMKHIN-SNVBAGLBSA-N 0 0 292.247 1.525 20 5 CDBDRN Cc1nc(Cl)nc(O[C@H]2C=C(C)OC(=O)C2)c1[N+](=O)[O-] ZINC001227335540 942167822 /nfs/dbraw/zinc/16/78/22/942167822.db2.gz UEMINBGHHNJOFD-ZETCQYMHSA-N 0 0 299.670 1.945 20 5 CDBDRN CC(=O)[C@H](C)Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227448800 942178021 /nfs/dbraw/zinc/17/80/21/942178021.db2.gz ITQMLJZMJDRTEV-JTQLQIEISA-N 0 0 299.282 1.888 20 5 CDBDRN Cn1ccc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001227681757 942201503 /nfs/dbraw/zinc/20/15/03/942201503.db2.gz KAKFHGKFKLYEGF-GFCCVEGCSA-N 0 0 259.265 1.875 20 5 CDBDRN COc1cccc([N+](=O)[O-])c1OC1CCN(N)CC1 ZINC001227700930 942206330 /nfs/dbraw/zinc/20/63/30/942206330.db2.gz JDOGYDZJTZGGEU-UHFFFAOYSA-N 0 0 267.285 1.320 20 5 CDBDRN CC1=C(Oc2cncc([N+](=O)[O-])c2)C(=O)O[C@H]1C ZINC001227988667 942252339 /nfs/dbraw/zinc/25/23/39/942252339.db2.gz WBOBDPBJVUNAKZ-ZETCQYMHSA-N 0 0 250.210 1.588 20 5 CDBDRN COC(C[C@H](C)Oc1cncc([N+](=O)[O-])c1)OC ZINC001227988328 942252584 /nfs/dbraw/zinc/25/25/84/942252584.db2.gz QXKOXSOZFCELLR-QMMMGPOBSA-N 0 0 256.258 1.766 20 5 CDBDRN Cc1cc(=O)cc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[nH]1 ZINC001228120967 942270349 /nfs/dbraw/zinc/27/03/49/942270349.db2.gz DPPVBACNORHFHB-VIFPVBQESA-N 0 0 292.251 1.040 20 5 CDBDRN C[C@@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])c1nccs1 ZINC001228141449 942275371 /nfs/dbraw/zinc/27/53/71/942275371.db2.gz QGBAGSBLIFYDCJ-RXMQYKEDSA-N 0 0 268.254 1.687 20 5 CDBDRN CC[C@@H](O)C(=O)Oc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001228209673 942282162 /nfs/dbraw/zinc/28/21/62/942282162.db2.gz VSZRPHBBWIGFTH-MRVPVSSYSA-N 0 0 282.277 1.881 20 5 CDBDRN Cn1ccnc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001228310008 942295031 /nfs/dbraw/zinc/29/50/31/942295031.db2.gz HLACZEANCSUOQI-GFCCVEGCSA-N 0 0 259.265 1.875 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cn[nH]c1 ZINC001228324211 942299530 /nfs/dbraw/zinc/29/95/30/942299530.db2.gz CKGJRRRMCZHFNP-ZETCQYMHSA-N 0 0 251.246 1.290 20 5 CDBDRN CC[N@@H+]1CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228602848 942340193 /nfs/dbraw/zinc/34/01/93/942340193.db2.gz GEVGWTYATNYGGT-VIFPVBQESA-N 0 0 294.311 1.441 20 5 CDBDRN Cc1[nH]c(=O)cc(OC[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC001228685385 942358105 /nfs/dbraw/zinc/35/81/05/942358105.db2.gz GYUGZKGWDANECE-CBAPKCEASA-N 0 0 268.269 1.950 20 5 CDBDRN C[C@@H](CN1CCOCC1)Oc1cnccc1[N+](=O)[O-] ZINC001228878941 942387293 /nfs/dbraw/zinc/38/72/93/942387293.db2.gz AHAFMQDEPKKYGK-JTQLQIEISA-N 0 0 267.285 1.089 20 5 CDBDRN COC(=O)C1CC(Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879661 942387907 /nfs/dbraw/zinc/38/79/07/942387907.db2.gz JDZGIFVLUCOTNN-UHFFFAOYSA-N 0 0 252.226 1.320 20 5 CDBDRN COC[C@H](C)OC[C@@H](C)Oc1cnccc1[N+](=O)[O-] ZINC001228883619 942388395 /nfs/dbraw/zinc/38/83/95/942388395.db2.gz WTYHPWRVCMGYMQ-VHSXEESVSA-N 0 0 270.285 1.809 20 5 CDBDRN O=C1NCc2c1cccc2O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001228900326 942389709 /nfs/dbraw/zinc/38/97/09/942389709.db2.gz HIWXBASDMJJTFV-LBPRGKRZSA-N 0 0 262.265 1.364 20 5 CDBDRN CC[C@H](O)C(=O)Oc1c(C(C)=O)cccc1[N+](=O)[O-] ZINC001228971758 942402008 /nfs/dbraw/zinc/40/20/08/942402008.db2.gz SZSIXZJNRCDADL-JTQLQIEISA-N 0 0 267.237 1.474 20 5 CDBDRN Cc1nc(O[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377887 942460259 /nfs/dbraw/zinc/46/02/59/942460259.db2.gz GPGCUTPYAWXNTC-ZCFIWIBFSA-N 0 0 275.211 1.965 20 5 CDBDRN CCCOC[C@@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451960 942476661 /nfs/dbraw/zinc/47/66/61/942476661.db2.gz KYWFZTGJXHMGAA-SECBINFHSA-N 0 0 256.258 1.422 20 5 CDBDRN O=C1Cc2ccc(O[C@H](C[N+](=O)[O-])C3CC3)cc2CN1 ZINC001229636336 942502774 /nfs/dbraw/zinc/50/27/74/942502774.db2.gz OAOLLTWLHYFZAL-CYBMUJFWSA-N 0 0 276.292 1.293 20 5 CDBDRN Cc1c(C)c([N+](=O)[O-])ccc1OC[C@@H]1CN(C)CCO1 ZINC001229881307 942548614 /nfs/dbraw/zinc/54/86/14/942548614.db2.gz RSFQYOZUCHSNHN-LBPRGKRZSA-N 0 0 280.324 1.921 20 5 CDBDRN COC(=O)c1cc(OC[C@H]2CCO2)c(F)cc1[N+](=O)[O-] ZINC001229941546 942554665 /nfs/dbraw/zinc/55/46/65/942554665.db2.gz KCTHXOPDSDKELC-SSDOTTSWSA-N 0 0 285.227 1.688 20 5 CDBDRN Cc1cc(OC2CS(=O)(=O)C2)c([N+](=O)[O-])cc1Cl ZINC001229975595 942561958 /nfs/dbraw/zinc/56/19/58/942561958.db2.gz QMYKGPATIZCTIW-UHFFFAOYSA-N 0 0 291.712 1.732 20 5 CDBDRN COC(=O)C1CC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230224974 942592293 /nfs/dbraw/zinc/59/22/93/942592293.db2.gz DPWNHQCOJDLQNY-UHFFFAOYSA-N 0 0 292.251 1.197 20 5 CDBDRN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](CF)C1 ZINC001524993635 970920542 /nfs/dbraw/zinc/92/05/42/970920542.db2.gz NNYUXRWQYULACT-JTQLQIEISA-N 0 0 285.323 1.507 20 5 CDBDRN C[C@H]1COC[C@@H]1Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230594399 942651858 /nfs/dbraw/zinc/65/18/58/942651858.db2.gz FOKONZQEVZCTKA-MADCSZMMSA-N 0 0 263.253 1.885 20 5 CDBDRN CC[C@@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C(=O)OC ZINC001230878999 942721292 /nfs/dbraw/zinc/72/12/92/942721292.db2.gz KHRULLMIWPCHTB-ZCFIWIBFSA-N 0 0 274.660 1.974 20 5 CDBDRN C[C@@H](C[N+](C)(C)C)Oc1[n-]c(=O)nc2cc(F)ccc21 ZINC001230885929 942724047 /nfs/dbraw/zinc/72/40/47/942724047.db2.gz ZLVMKDYFSJKTIR-VIFPVBQESA-O 0 0 280.323 1.948 20 5 CDBDRN CCCC(=O)NCCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC001231224520 942823271 /nfs/dbraw/zinc/82/32/71/942823271.db2.gz XEHWPBHEGXZVMG-UHFFFAOYSA-N 0 0 297.359 1.067 20 5 CDBDRN COCC(COC)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC001233598234 943623457 /nfs/dbraw/zinc/62/34/57/943623457.db2.gz WTKFIUKQRTVAIL-UHFFFAOYSA-N 0 0 277.223 1.913 20 5 CDBDRN O=C1C[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)CO1 ZINC001233597251 943623811 /nfs/dbraw/zinc/62/38/11/943623811.db2.gz KRTICXVLRSWIGI-YFKPBYRVSA-N 0 0 259.164 1.567 20 5 CDBDRN O=C1C[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])CO1 ZINC001233696967 943642668 /nfs/dbraw/zinc/64/26/68/943642668.db2.gz VJYVCEHGEJHYCY-LURJTMIESA-N 0 0 259.164 1.567 20 5 CDBDRN COC(=O)[C@@H](C)Oc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC001233747945 943648733 /nfs/dbraw/zinc/64/87/33/943648733.db2.gz UGTHSFJHRNVXMA-RXMQYKEDSA-N 0 0 294.185 1.949 20 5 CDBDRN CCOC(=O)[C@H](C)Oc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC001233859480 943674308 /nfs/dbraw/zinc/67/43/08/943674308.db2.gz NJTBJRYFTUBKET-ZETCQYMHSA-N 0 0 298.251 1.107 20 5 CDBDRN COC(=O)c1ccc(O[C@H]2CCCOC2=O)cc1[N+](=O)[O-] ZINC001234050935 943728261 /nfs/dbraw/zinc/72/82/61/943728261.db2.gz NGMPKTGAPYYLSY-NSHDSACASA-N 0 0 295.247 1.466 20 5 CDBDRN CN1C(=O)CC[C@H]1c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001261430992 946113104 /nfs/dbraw/zinc/11/31/04/946113104.db2.gz JCLGXAZTBLRTNJ-JTQLQIEISA-N 0 0 288.263 1.938 20 5 CDBDRN COc1cccc2c1OCC[C@H]2OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001262000290 946362852 /nfs/dbraw/zinc/36/28/52/946362852.db2.gz ROEBEHGCFKVRPL-GMTAPVOTSA-N 0 0 293.275 1.727 20 5 CDBDRN COC[C@@H]1COCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC001262375924 946622435 /nfs/dbraw/zinc/62/24/35/946622435.db2.gz ZPSMESZKKSPOSZ-SNVBAGLBSA-N 0 0 267.285 1.150 20 5 CDBDRN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(N2CC(F)C2)C1 ZINC001254550129 947522165 /nfs/dbraw/zinc/52/21/65/947522165.db2.gz DCCIDWNSMHRSFL-LLVKDONJSA-N 0 0 293.342 1.864 20 5 CDBDRN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCOC(=O)C1 ZINC001254564093 947528798 /nfs/dbraw/zinc/52/87/98/947528798.db2.gz ILEGPVGTNFXFDA-SNVBAGLBSA-N 0 0 264.281 1.385 20 5 CDBDRN COC(=O)[C@H](C)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580474 947538496 /nfs/dbraw/zinc/53/84/96/947538496.db2.gz DAKDWUNWJCNAMD-KWQFWETISA-N 0 0 264.281 1.213 20 5 CDBDRN COC(=O)NC1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001255035667 947702683 /nfs/dbraw/zinc/70/26/83/947702683.db2.gz FGRUXACLCYSAQR-UHFFFAOYSA-N 0 0 293.279 1.084 20 5 CDBDRN COc1cccc(-c2noc(CC[N+](=O)[O-])n2)c1F ZINC001247521286 948661782 /nfs/dbraw/zinc/66/17/82/948661782.db2.gz MGBHXVKCVPNLOP-UHFFFAOYSA-N 0 0 267.216 1.704 20 5 CDBDRN Cc1nc(N2CCOC[C@H]2c2ccco2)ncc1[N+](=O)[O-] ZINC001325182476 953761956 /nfs/dbraw/zinc/76/19/56/953761956.db2.gz UUYDPLXMHKCHEB-NSHDSACASA-N 0 0 290.279 1.864 20 5 CDBDRN O=C(NC/C=C\C1CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001325233093 953785958 /nfs/dbraw/zinc/78/59/58/953785958.db2.gz TZCWLUIXJQJIEU-XQJDBVBESA-N 0 0 276.292 1.711 20 5 CDBDRN CSCC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001333496681 953929761 /nfs/dbraw/zinc/92/97/61/953929761.db2.gz QOXSMDXMJNYPKQ-UHFFFAOYSA-N 0 0 284.341 1.533 20 5 CDBDRN CCCN(C)C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001325587632 953974438 /nfs/dbraw/zinc/97/44/38/953974438.db2.gz VHXUMZOYXXWYRF-UHFFFAOYSA-N 0 0 293.323 1.422 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H](O)CCc1ccccc1 ZINC001303573198 954094437 /nfs/dbraw/zinc/09/44/37/954094437.db2.gz GRTMQDDDUDCHDN-JTQLQIEISA-N 0 0 290.279 1.250 20 5 CDBDRN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cnc2n1CCCC2 ZINC001303573232 954096327 /nfs/dbraw/zinc/09/63/27/954096327.db2.gz 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0 262.269 1.860 20 5 CDBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ncn(C)n1 ZINC000291064593 197905586 /nfs/dbraw/zinc/90/55/86/197905586.db2.gz NKLSASPSDCZMPE-UHFFFAOYSA-N 0 0 289.295 1.038 20 5 CDBDRN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCOC1 ZINC000106844110 186140239 /nfs/dbraw/zinc/14/02/39/186140239.db2.gz KSZLBMUWXBXZMI-SNVBAGLBSA-N 0 0 289.291 1.937 20 5 CDBDRN CC[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])OC ZINC000290296794 365963447 /nfs/dbraw/zinc/96/34/47/365963447.db2.gz BKZLBWNLGSTSLJ-SECBINFHSA-N 0 0 252.270 1.750 20 5 CDBDRN Cc1nn(C)c(N(C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000107674722 186185480 /nfs/dbraw/zinc/18/54/80/186185480.db2.gz NNJZSBOUCAGUHE-JTQLQIEISA-N 0 0 268.317 1.500 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)O ZINC000108494654 186219292 /nfs/dbraw/zinc/21/92/92/186219292.db2.gz YHVSPCBWGSRGCF-UHFFFAOYSA-N 0 0 267.285 1.796 20 5 CDBDRN CC(C)(C)c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000109524155 186258775 /nfs/dbraw/zinc/25/87/75/186258775.db2.gz YGJNJOKFQMVHDK-UHFFFAOYSA-N 0 0 265.273 1.715 20 5 CDBDRN CC[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)OC ZINC000454305550 252341238 /nfs/dbraw/zinc/34/12/38/252341238.db2.gz PTASFHPCCIVTNU-LLVKDONJSA-N 0 0 255.274 1.468 20 5 CDBDRN CN(CCn1cccn1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110434448 186296752 /nfs/dbraw/zinc/29/67/52/186296752.db2.gz ZNDTXCZJPCNCSP-UHFFFAOYSA-N 0 0 264.241 1.157 20 5 CDBDRN COc1cc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000111053256 186348620 /nfs/dbraw/zinc/34/86/20/186348620.db2.gz LTDGQKNRNURRKN-VIFPVBQESA-N 0 0 252.270 1.422 20 5 CDBDRN C[C@@H]1C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000009916592 350817079 /nfs/dbraw/zinc/81/70/79/350817079.db2.gz GSKCTMLQHVXKLY-NXEZZACHSA-N 0 0 263.297 1.779 20 5 CDBDRN CC1(C)COCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000619871804 350867535 /nfs/dbraw/zinc/86/75/35/350867535.db2.gz ZVEUCSXAJUGSQW-UHFFFAOYSA-N 0 0 280.280 1.569 20 5 CDBDRN C[C@H]1CO[C@@H](CO)CN1c1ccc([N+](=O)[O-])s1 ZINC000619745021 350842572 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Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000051989724 363078515 /nfs/dbraw/zinc/07/85/15/363078515.db2.gz FUVMKBLLBWIZKF-YPMHNXCESA-N 0 0 278.308 1.937 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1O ZINC000051991372 363086681 /nfs/dbraw/zinc/08/66/81/363086681.db2.gz XKEONXMUWZZOLF-OLZOCXBDSA-N 0 0 294.307 1.393 20 5 CDBDRN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)CO ZINC000293716279 363085316 /nfs/dbraw/zinc/08/53/16/363085316.db2.gz SCXQDRCDWQPRNB-SSDOTTSWSA-N 0 0 258.299 1.499 20 5 CDBDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000122148522 187017687 /nfs/dbraw/zinc/01/76/87/187017687.db2.gz PCKPTWUUCFLBBO-UWVGGRQHSA-N 0 0 265.313 1.818 20 5 CDBDRN CC(C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000122781723 187050862 /nfs/dbraw/zinc/05/08/62/187050862.db2.gz OFVXQCNTCGZDRS-QMMMGPOBSA-N 0 0 251.286 1.951 20 5 CDBDRN Nc1c(C(=O)NC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000122774940 187051222 /nfs/dbraw/zinc/05/12/22/187051222.db2.gz 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1.012 20 5 CDBDRN CNc1nc(C(=O)N(C)C(C)C)ccc1[N+](=O)[O-] ZINC000454543749 252351772 /nfs/dbraw/zinc/35/17/72/252351772.db2.gz IAKZIXGLRSCRPN-UHFFFAOYSA-N 0 0 252.274 1.512 20 5 CDBDRN C[C@@H]1[C@H](C)OCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000166606060 188638928 /nfs/dbraw/zinc/63/89/28/188638928.db2.gz DBGHERNWIMGZET-MNOVXSKESA-N 0 0 278.308 1.773 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCOC2)n1 ZINC000166764011 188639272 /nfs/dbraw/zinc/63/92/72/188639272.db2.gz DHZYTYDPEVLLAT-QMMMGPOBSA-N 0 0 281.268 1.367 20 5 CDBDRN COCCOCCOc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000168600624 188651323 /nfs/dbraw/zinc/65/13/23/188651323.db2.gz BFSWMFFCHXCQTB-UHFFFAOYSA-N 0 0 283.280 1.839 20 5 CDBDRN CN1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC1=O ZINC000172489475 188806973 /nfs/dbraw/zinc/80/69/73/188806973.db2.gz JEMRBNVTQCMUFH-QMMMGPOBSA-N 0 0 283.309 1.007 20 5 CDBDRN CO[C@@H]1[C@@H](C)[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000271803948 191337814 /nfs/dbraw/zinc/33/78/14/191337814.db2.gz 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269.326 1.621 20 5 CDBDRN CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000281716002 195349901 /nfs/dbraw/zinc/34/99/01/195349901.db2.gz GDHZKCMJPZMODW-LLVKDONJSA-N 0 0 295.270 1.085 20 5 CDBDRN Cc1nn(C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000281800897 195387545 /nfs/dbraw/zinc/38/75/45/195387545.db2.gz IPBBFPBGMDBEAS-ZETCQYMHSA-N 0 0 253.180 1.413 20 5 CDBDRN C[S@@](=O)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000281849038 390435836 /nfs/dbraw/zinc/43/58/36/390435836.db2.gz RWBUUXSOYPXSEO-HXUWFJFHSA-N 0 0 296.348 1.626 20 5 CDBDRN COCC1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCC1 ZINC000282287678 195563395 /nfs/dbraw/zinc/56/33/95/195563395.db2.gz RCKBQUMTBCESEI-UHFFFAOYSA-N 0 0 294.311 1.928 20 5 CDBDRN Cc1nn(CCn2cnc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000360504122 390488284 /nfs/dbraw/zinc/48/82/84/390488284.db2.gz NMMQCLQRDCLDIN-UHFFFAOYSA-N 0 0 299.290 1.510 20 5 CDBDRN COC(=O)NCCC(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000494158787 390451770 /nfs/dbraw/zinc/45/17/70/390451770.db2.gz GISMZPVSRGKLLZ-UHFFFAOYSA-N 0 0 282.252 1.555 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)C(F)F ZINC000282526968 195635891 /nfs/dbraw/zinc/63/58/91/195635891.db2.gz LLCJJINAODRCJV-UHFFFAOYSA-N 0 0 266.587 1.244 20 5 CDBDRN COC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000550588163 390473907 /nfs/dbraw/zinc/47/39/07/390473907.db2.gz BLGXGOFZXNSMSY-UHFFFAOYSA-N 0 0 294.307 1.407 20 5 CDBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)C(=O)NC ZINC000450943257 390579578 /nfs/dbraw/zinc/57/95/78/390579578.db2.gz QOSLZQMKEBVIPK-QMMMGPOBSA-N 0 0 252.274 1.235 20 5 CDBDRN Cc1cnc(SCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000450932248 390580786 /nfs/dbraw/zinc/58/07/86/390580786.db2.gz NTCRFHDPPLFDRR-UHFFFAOYSA-N 0 0 255.299 1.479 20 5 CDBDRN Cc1nn(C)c(N[C@H](C)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000450848456 390563083 /nfs/dbraw/zinc/56/30/83/390563083.db2.gz XHXGVYBPWJNVFG-MRVPVSSYSA-N 0 0 278.316 1.413 20 5 CDBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1CC[C@@H]1CCOC1 ZINC000450888593 390570509 /nfs/dbraw/zinc/57/05/09/390570509.db2.gz NNOUXRBKJBIUNT-MRVPVSSYSA-N 0 0 272.688 1.837 20 5 CDBDRN CC[C@H](O)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000451539549 390630686 /nfs/dbraw/zinc/63/06/86/390630686.db2.gz WYMYUIIYIASFTB-JTQLQIEISA-N 0 0 256.233 1.833 20 5 CDBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)on1 ZINC000175669274 390650116 /nfs/dbraw/zinc/65/01/16/390650116.db2.gz IJMPORKDYXYOKL-UHFFFAOYSA-N 0 0 262.225 1.847 20 5 CDBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](F)C1 ZINC000451188451 390603443 /nfs/dbraw/zinc/60/34/43/390603443.db2.gz DSIQNUYUSRBQSV-VHSXEESVSA-N 0 0 281.287 1.966 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(S[C@@H](C)[C@H](C)O)n1 ZINC000234553616 390805408 /nfs/dbraw/zinc/80/54/08/390805408.db2.gz JWZXMLWBWGQCPK-BQBZGAKWSA-N 0 0 286.309 1.638 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCO1 ZINC000283852057 195931037 /nfs/dbraw/zinc/93/10/37/195931037.db2.gz HBPDTIXKBYHDGR-MRVPVSSYSA-N 0 0 297.286 1.567 20 5 CDBDRN COCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000076833430 390802016 /nfs/dbraw/zinc/80/20/16/390802016.db2.gz HDLMEUJPUXQLGG-UHFFFAOYSA-N 0 0 293.323 1.198 20 5 CDBDRN Cc1cc(N2CCO[C@@]3(CCO[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000280171139 390946805 /nfs/dbraw/zinc/94/68/05/390946805.db2.gz DITLKXYJEZLNAH-FZMZJTMJSA-N 0 0 293.323 1.682 20 5 CDBDRN C[C@@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC000517159804 390968495 /nfs/dbraw/zinc/96/84/95/390968495.db2.gz ZOOZFUFEQARUTI-QMMMGPOBSA-N 0 0 293.279 1.889 20 5 CDBDRN C[C@H](CC(=O)[O-])[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000574340679 390996822 /nfs/dbraw/zinc/99/68/22/390996822.db2.gz OVOHWNJPCDVOSD-SNVBAGLBSA-N 0 0 266.297 1.932 20 5 CDBDRN CN(Cc1ccccc1F)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000160228017 391041043 /nfs/dbraw/zinc/04/10/43/391041043.db2.gz QQQCECTWEZWLAI-UHFFFAOYSA-N 0 0 292.270 1.740 20 5 CDBDRN CO[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CCO1 ZINC000439563993 391076822 /nfs/dbraw/zinc/07/68/22/391076822.db2.gz AUFUPMOVKOXXAO-SNVBAGLBSA-N 0 0 253.258 1.107 20 5 CDBDRN CC[C@@H](C)NC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413091014 391156392 /nfs/dbraw/zinc/15/63/92/391156392.db2.gz BOCXUPOYVYREPG-SFYZADRCSA-N 0 0 284.291 1.844 20 5 CDBDRN Cc1cc(N2CCCO[C@H](CF)C2)ncc1[N+](=O)[O-] ZINC000413477030 391217932 /nfs/dbraw/zinc/21/79/32/391217932.db2.gz FNEMEUAWIBMCJJ-SNVBAGLBSA-N 0 0 269.276 1.863 20 5 CDBDRN COc1cc(N2CCO[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000413471480 391219041 /nfs/dbraw/zinc/21/90/41/391219041.db2.gz IPDLPVCDKFYOCB-JTQLQIEISA-N 0 0 270.260 1.778 20 5 CDBDRN O=C1C[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])CN1 ZINC000413481533 391219383 /nfs/dbraw/zinc/21/93/83/391219383.db2.gz NMAOYECCMPHEDR-SECBINFHSA-N 0 0 286.291 1.691 20 5 CDBDRN O=[N+]([O-])c1c(N2CC(CF)C2)nc2sccn21 ZINC000413501990 391223435 /nfs/dbraw/zinc/22/34/35/391223435.db2.gz MMZGMFOROUYBOU-UHFFFAOYSA-N 0 0 256.262 1.710 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C(=O)N(C)C)C1 ZINC000413506722 391224458 /nfs/dbraw/zinc/22/44/58/391224458.db2.gz FISXVIGUSWLXQA-NSHDSACASA-N 0 0 277.324 1.818 20 5 CDBDRN Cc1n[nH]c([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)n1 ZINC000413548607 391238955 /nfs/dbraw/zinc/23/89/55/391238955.db2.gz IHHQNGYAHGFHBJ-VIFPVBQESA-N 0 0 274.284 1.410 20 5 CDBDRN CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)[C@@H](O)C(C)C ZINC000413561586 391240260 /nfs/dbraw/zinc/24/02/60/391240260.db2.gz ZUBAWZFHEAVGBY-ONGXEEELSA-N 0 0 268.317 1.901 20 5 CDBDRN CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)[C@H](O)C(C)C ZINC000413561581 391240340 /nfs/dbraw/zinc/24/03/40/391240340.db2.gz ZUBAWZFHEAVGBY-GXSJLCMTSA-N 0 0 268.317 1.901 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCC(F)(F)[C@@H]2O)nc1 ZINC000413585904 391246315 /nfs/dbraw/zinc/24/63/15/391246315.db2.gz VMUQWFCFTMGPLN-JGVFFNPUSA-N 0 0 274.227 1.345 20 5 CDBDRN C[C@H](C1CC1)N(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000183541071 391248207 /nfs/dbraw/zinc/24/82/07/391248207.db2.gz KUTZVHMKNYZWNF-MRVPVSSYSA-N 0 0 290.323 1.975 20 5 CDBDRN CC[C@@H](CSC)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186168329 391213778 /nfs/dbraw/zinc/21/37/78/391213778.db2.gz AXMCLYAMHHZTBK-ZETCQYMHSA-N 0 0 284.341 1.443 20 5 CDBDRN Nc1nc(N2CC3(CCC3)[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000290635398 391214808 /nfs/dbraw/zinc/21/48/08/391214808.db2.gz HNPVFSUABYMLIK-SNVBAGLBSA-N 0 0 275.312 1.736 20 5 CDBDRN CO[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000456576649 391307226 /nfs/dbraw/zinc/30/72/26/391307226.db2.gz HOLXCKUYVMUQTN-HQJQHLMTSA-N 0 0 267.285 1.466 20 5 CDBDRN CO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1(C)C ZINC000440132159 391311570 /nfs/dbraw/zinc/31/15/70/391311570.db2.gz JFABDXSYUMCKGL-UWVGGRQHSA-N 0 0 295.295 1.239 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CO[C@@H](C)C1 ZINC000438926044 391342232 /nfs/dbraw/zinc/34/22/32/391342232.db2.gz BJXAOQHSTPAKBI-GXSJLCMTSA-N 0 0 294.307 1.645 20 5 CDBDRN O=C(NC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000048659353 391380935 /nfs/dbraw/zinc/38/09/35/391380935.db2.gz KXQFBPHZBFIRCW-SECBINFHSA-N 0 0 282.271 1.890 20 5 CDBDRN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000269021136 391487496 /nfs/dbraw/zinc/48/74/96/391487496.db2.gz FGGTZEGSKNYEKP-NXEZZACHSA-N 0 0 281.316 1.089 20 5 CDBDRN CN(CCn1cccn1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347161806 391510001 /nfs/dbraw/zinc/51/00/01/391510001.db2.gz SJOPJBJZTABSQX-UHFFFAOYSA-N 0 0 292.270 1.703 20 5 CDBDRN COC(=O)N1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000495554580 391627639 /nfs/dbraw/zinc/62/76/39/391627639.db2.gz LGFVLYQEDJYWCX-UHFFFAOYSA-N 0 0 295.295 1.492 20 5 CDBDRN CC(=O)NCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000568092834 391580802 /nfs/dbraw/zinc/58/08/02/391580802.db2.gz DYZDQBJVIBSCCF-UHFFFAOYSA-N 0 0 299.714 1.456 20 5 CDBDRN CCC[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000270266484 391672711 /nfs/dbraw/zinc/67/27/11/391672711.db2.gz PKCRTWSHVWFJIY-NSHDSACASA-N 0 0 293.323 1.699 20 5 CDBDRN NC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000437936248 391706467 /nfs/dbraw/zinc/70/64/67/391706467.db2.gz CMIMXCAIONSUDR-UHFFFAOYSA-N 0 0 275.220 1.539 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](CC(N)=O)C1 ZINC000192642741 391726353 /nfs/dbraw/zinc/72/63/53/391726353.db2.gz LBLBFHZTMFJSFC-JTQLQIEISA-N 0 0 295.343 1.211 20 5 CDBDRN C[C@@H](C(=O)NCC[C@H](C)O)c1ccc([N+](=O)[O-])cc1F ZINC000185561793 391731409 /nfs/dbraw/zinc/73/14/09/391731409.db2.gz HBEYZRNPZAABDB-DTWKUNHWSA-N 0 0 284.287 1.725 20 5 CDBDRN Cc1ccc(C)c(S(=O)(=O)N(C)C2CC2)c1[N+](=O)[O-] ZINC000189835319 130028063 /nfs/dbraw/zinc/02/80/63/130028063.db2.gz UBTGRRBGRKNGFV-UHFFFAOYSA-N 0 0 284.337 1.995 20 5 CDBDRN C[C@H](O)C[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000341937290 130146472 /nfs/dbraw/zinc/14/64/72/130146472.db2.gz NDSZISHPYSUWJK-QWRGUYRKSA-N 0 0 296.323 1.639 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCCCC(=O)OC(C)(C)C ZINC000341957465 130173224 /nfs/dbraw/zinc/17/32/24/130173224.db2.gz YKUHMPYUXYXFCD-UHFFFAOYSA-N 0 0 284.316 1.862 20 5 CDBDRN O=C(NOC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000191033087 130174950 /nfs/dbraw/zinc/17/49/50/130174950.db2.gz DZLOLFCWFFWGGQ-SECBINFHSA-N 0 0 281.268 1.684 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CC[C@@H](C)O2)c1 ZINC000191085515 130181602 /nfs/dbraw/zinc/18/16/02/130181602.db2.gz LJCWWTMXDCSUKI-SCZZXKLOSA-N 0 0 296.279 1.111 20 5 CDBDRN Cc1cccc(C(=O)NC[C@@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000191359090 130226489 /nfs/dbraw/zinc/22/64/89/130226489.db2.gz FAVSZYQEKSRLBM-MNOVXSKESA-N 0 0 278.308 1.794 20 5 CDBDRN Cc1cccc(C(=O)NC[C@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000191359104 130226513 /nfs/dbraw/zinc/22/65/13/130226513.db2.gz FAVSZYQEKSRLBM-QWRGUYRKSA-N 0 0 278.308 1.794 20 5 CDBDRN Cc1cnccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000189840374 391803149 /nfs/dbraw/zinc/80/31/49/391803149.db2.gz CSUKESSTVRLKFU-UHFFFAOYSA-N 0 0 288.263 1.329 20 5 CDBDRN Cc1cncc(Cn2cc([N+](=O)[O-])c(C)cc2=O)c1 ZINC000189856740 391804554 /nfs/dbraw/zinc/80/45/54/391804554.db2.gz HHFROUSUSQCOJS-UHFFFAOYSA-N 0 0 259.265 1.817 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191869249 130322418 /nfs/dbraw/zinc/32/24/18/130322418.db2.gz LRISCLNZWMKGEE-MNOVXSKESA-N 0 0 278.308 1.604 20 5 CDBDRN Cc1ccc(NC(=O)N2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191874107 130323204 /nfs/dbraw/zinc/32/32/04/130323204.db2.gz ZYMVEMUIDJIFIC-MNOVXSKESA-N 0 0 293.323 1.995 20 5 CDBDRN C[C@H](CCO)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)CCO)n1 ZINC000192316495 130419741 /nfs/dbraw/zinc/41/97/41/130419741.db2.gz MDNRLIZZKRHDCX-ZJUUUORDSA-N 0 0 298.343 1.355 20 5 CDBDRN Cc1cnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)o1 ZINC000353216676 391901367 /nfs/dbraw/zinc/90/13/67/391901367.db2.gz KWUGVPJHDZEPIL-UHFFFAOYSA-N 0 0 291.219 1.872 20 5 CDBDRN CNc1c(C(=O)N(C)CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000163202936 391905828 /nfs/dbraw/zinc/90/58/28/391905828.db2.gz DIDQYKLTIVAZES-SECBINFHSA-N 0 0 281.312 1.479 20 5 CDBDRN O=C(NC[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])s1 ZINC000316093684 391917867 /nfs/dbraw/zinc/91/78/67/391917867.db2.gz RMJAXWVJCARGIY-MRVPVSSYSA-N 0 0 270.310 1.547 20 5 CDBDRN C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000134183411 391939929 /nfs/dbraw/zinc/93/99/29/391939929.db2.gz BGEJAMWCNSRMSL-SNVBAGLBSA-N 0 0 293.323 1.372 20 5 CDBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCCCCO)cc1[N+](=O)[O-] ZINC000192949768 130565278 /nfs/dbraw/zinc/56/52/78/130565278.db2.gz SXBGQDQVJWBLDQ-UHFFFAOYSA-N 0 0 297.267 1.314 20 5 CDBDRN CO[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1OC ZINC000488014348 391997926 /nfs/dbraw/zinc/99/79/26/391997926.db2.gz YTDRJZJEFBLKTD-CHWSQXEVSA-N 0 0 284.287 1.580 20 5 CDBDRN CN(CC(=O)NC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000194224846 392152904 /nfs/dbraw/zinc/15/29/04/392152904.db2.gz PZFSJGJXDJJMFA-UHFFFAOYSA-N 0 0 295.270 1.085 20 5 CDBDRN COC(=O)CCC(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000195444265 130743944 /nfs/dbraw/zinc/74/39/44/130743944.db2.gz ZDIZMSLDGUJMFD-UHFFFAOYSA-N 0 0 281.264 1.804 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC(=O)N[C@H](C)C1 ZINC000295829463 291993995 /nfs/dbraw/zinc/99/39/95/291993995.db2.gz VYWQZTWOKJYCQW-MRVPVSSYSA-N 0 0 283.715 1.881 20 5 CDBDRN Cc1cnc(NC[C@]2(O)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000228009996 130858989 /nfs/dbraw/zinc/85/89/89/130858989.db2.gz SJRWRDAZVRZVGY-JOYOIKCWSA-N 0 0 267.285 1.250 20 5 CDBDRN CCN(C)C(=O)CNc1ccc([N+](=O)[O-])cc1F ZINC000229572226 130882848 /nfs/dbraw/zinc/88/28/48/130882848.db2.gz WIYNIVVEWVAPSD-UHFFFAOYSA-N 0 0 255.249 1.624 20 5 CDBDRN COC[C@@H](O)CCNc1ncc([N+](=O)[O-])cc1C ZINC000231569958 130915305 /nfs/dbraw/zinc/91/53/05/130915305.db2.gz IZMNXTPALQLIPU-JTQLQIEISA-N 0 0 255.274 1.108 20 5 CDBDRN CNS(=O)(=O)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231677840 130917737 /nfs/dbraw/zinc/91/77/37/130917737.db2.gz KENDRUPKNJVJJK-UHFFFAOYSA-N 0 0 293.732 1.209 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000263653399 131302329 /nfs/dbraw/zinc/30/23/29/131302329.db2.gz DYPSZRRWUNUGGU-SECBINFHSA-N 0 0 284.337 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Cc1nc(-n2ccc(=O)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000760476707 576486984 /nfs/dbraw/zinc/48/69/84/576486984.db2.gz ACGOCJMEFPIQAH-UHFFFAOYSA-N 0 0 276.208 1.357 20 5 CDBDRN Cn1cc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000741306813 576551150 /nfs/dbraw/zinc/55/11/50/576551150.db2.gz NNWLJESHORULQD-UHFFFAOYSA-N 0 0 289.247 1.368 20 5 CDBDRN C[C@H]1C[C@@H](C(=O)OCCn2ccc([N+](=O)[O-])n2)CCC1=O ZINC000761457807 576577726 /nfs/dbraw/zinc/57/77/26/576577726.db2.gz PEGCWGPAHQENED-UWVGGRQHSA-N 0 0 295.295 1.340 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)[C@H](C)C2)c1 ZINC000742196774 576586953 /nfs/dbraw/zinc/58/69/53/576586953.db2.gz ODYXTDSRFZROBB-SNVBAGLBSA-N 0 0 293.323 1.380 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCC[C@H](O)c1ccccc1 ZINC000742427968 576602763 /nfs/dbraw/zinc/60/27/63/576602763.db2.gz WKEFOTUZOOWONL-NSHDSACASA-N 0 0 276.296 1.864 20 5 CDBDRN O=[N+]([O-])c1c(N2CCOC[C@@H]2C2CC2)nc2ccccn21 ZINC000762191627 576627714 /nfs/dbraw/zinc/62/77/14/576627714.db2.gz 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295.686 1.787 20 5 CDBDRN CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCSC1=O ZINC001167948371 903669762 /nfs/dbraw/zinc/66/97/62/903669762.db2.gz NSUNWPHQSBODLN-ZETCQYMHSA-N 0 0 268.298 1.476 20 5 CDBDRN CN(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)C1CC1 ZINC001101498036 907534404 /nfs/dbraw/zinc/53/44/04/907534404.db2.gz LMDYYHPJOJDAAE-UHFFFAOYSA-N 0 0 282.275 1.409 20 5 CDBDRN O=[N+]([O-])c1cc(NCCOC(F)(F)F)cn2cnnc12 ZINC001168175657 907649946 /nfs/dbraw/zinc/64/99/46/907649946.db2.gz ZEGBTVZPVBSQNH-UHFFFAOYSA-N 0 0 291.189 1.586 20 5 CDBDRN CCC1(CNc2cnc([N+](=O)[O-])cc2C(=O)OC)COC1 ZINC001168330459 909067077 /nfs/dbraw/zinc/06/70/77/909067077.db2.gz KKRMTIUPOGXYRE-UHFFFAOYSA-N 0 0 295.295 1.615 20 5 CDBDRN C[C@@]1(O)C[C@H](CNc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001168346839 909138531 /nfs/dbraw/zinc/13/85/31/909138531.db2.gz UQHAIYDHRZEKQA-SWZMTVOYSA-N 0 0 276.296 1.815 20 5 CDBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)C(=O)NC ZINC000697819436 909290932 /nfs/dbraw/zinc/29/09/32/909290932.db2.gz 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O=[N+]([O-])c1cc(F)cnc1N1CCC[C@](F)(CO)CC1 ZINC001164406215 924871740 /nfs/dbraw/zinc/87/17/40/924871740.db2.gz RVSDNGTWPMBAHD-GFCCVEGCSA-N 0 0 287.266 1.820 20 5 CDBDRN CCCOCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101516871 936981311 /nfs/dbraw/zinc/98/13/11/936981311.db2.gz SKRBZPCHTRSSMJ-UHFFFAOYSA-N 0 0 296.327 1.287 20 5 CDBDRN CN1CC[C@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C1=O ZINC001166666393 925234493 /nfs/dbraw/zinc/23/44/93/925234493.db2.gz PBHXNAQVPOCALM-VIFPVBQESA-N 0 0 287.279 1.181 20 5 CDBDRN COCCCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101524969 936982870 /nfs/dbraw/zinc/98/28/70/936982870.db2.gz YTGDYDVHEWIZNX-UHFFFAOYSA-N 0 0 295.339 1.892 20 5 CDBDRN Nc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CCO)C1 ZINC001166849767 925323937 /nfs/dbraw/zinc/32/39/37/925323937.db2.gz QKPAMCRSIFGDPX-VIFPVBQESA-N 0 0 266.301 1.171 20 5 CDBDRN O=C1CC[C@@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])CCN12 ZINC001166953168 925368630 /nfs/dbraw/zinc/36/86/30/925368630.db2.gz DRZUEJDNNJSHNU-MRVPVSSYSA-N 0 0 296.714 1.454 20 5 CDBDRN NC(=O)CO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001205856843 925590646 /nfs/dbraw/zinc/59/06/46/925590646.db2.gz MCLFIWUOFUWXCO-SECBINFHSA-N 0 0 278.186 1.700 20 5 CDBDRN COc1cc(N[C@H]2CCOC2=O)c([N+](=O)[O-])cc1OC ZINC000824566039 925829718 /nfs/dbraw/zinc/82/97/18/925829718.db2.gz HRCHRUNMKHVQQK-ZETCQYMHSA-N 0 0 282.252 1.339 20 5 CDBDRN O=[N+]([O-])c1cc(O)cc(Nc2cccnc2CO)c1 ZINC001199819463 925856599 /nfs/dbraw/zinc/85/65/99/925856599.db2.gz SHGPUEZCVQHLTQ-UHFFFAOYSA-N 0 0 261.237 1.931 20 5 CDBDRN O=C(CCNc1ncc([N+](=O)[O-])cn1)Nc1nccs1 ZINC001168908095 927532427 /nfs/dbraw/zinc/53/24/27/927532427.db2.gz AROOPRJYFSCXNY-UHFFFAOYSA-N 0 0 294.296 1.282 20 5 CDBDRN O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001169009877 927614572 /nfs/dbraw/zinc/61/45/72/927614572.db2.gz YPACDYVNLRHSCB-UONOGXRCSA-N 0 0 290.367 1.649 20 5 CDBDRN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCn3c(nnc3C3CC3)C2)C1 ZINC001169038190 927646725 /nfs/dbraw/zinc/64/67/25/927646725.db2.gz 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CDBDRN CN(C[C@@H]1CCOC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601279076 342548642 /nfs/dbraw/zinc/54/86/42/342548642.db2.gz PGGKWYDUYNUHOB-VIFPVBQESA-N 0 0 282.271 1.842 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H](O)C(F)(F)F ZINC000601238299 342538885 /nfs/dbraw/zinc/53/88/85/342538885.db2.gz UVJKFKTVDMEACY-VDTYLAMSSA-N 0 0 296.249 1.843 20 5 CDBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H](O)C(F)(F)F ZINC000601238902 342538915 /nfs/dbraw/zinc/53/89/15/342538915.db2.gz ZECDOEMMPKYMKZ-WVZVXSGGSA-N 0 0 271.220 1.775 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(F)cc(F)c1 ZINC000043269710 342002929 /nfs/dbraw/zinc/00/29/29/342002929.db2.gz RUCGCMDDKGLSQE-UHFFFAOYSA-N 0 0 282.206 1.708 20 5 CDBDRN C[C@@H](CO)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601322870 342553208 /nfs/dbraw/zinc/55/32/08/342553208.db2.gz KHAWUYGEBQHBLJ-SSDOTTSWSA-N 0 0 256.233 1.092 20 5 CDBDRN O=[N+]([O-])c1cc2c(ncnc2NCC2COC2)s1 ZINC000599178006 343982267 /nfs/dbraw/zinc/98/22/67/343982267.db2.gz BWJVGEUOTATTDJ-UHFFFAOYSA-N 0 0 266.282 1.658 20 5 CDBDRN C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000601399657 342559960 /nfs/dbraw/zinc/55/99/60/342559960.db2.gz RLWLVCOBAHRTAX-ZJUUUORDSA-N 0 0 295.314 1.899 20 5 CDBDRN CCNC(=O)[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000011409230 342025222 /nfs/dbraw/zinc/02/52/22/342025222.db2.gz ZUEIKPBAHJMUIC-SECBINFHSA-N 0 0 279.296 1.158 20 5 CDBDRN COc1cc(-c2nc(C[S@](C)=O)no2)ccc1[N+](=O)[O-] ZINC000273842515 192330538 /nfs/dbraw/zinc/33/05/38/192330538.db2.gz IAECGDVXSQWXLX-FQEVSTJZSA-N 0 0 297.292 1.532 20 5 CDBDRN C[C@H](C(=O)NCc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000235429726 342050169 /nfs/dbraw/zinc/05/01/69/342050169.db2.gz HPVCFXFLKLNGLF-VIFPVBQESA-N 0 0 274.280 1.738 20 5 CDBDRN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000046275712 342055828 /nfs/dbraw/zinc/05/58/28/342055828.db2.gz QHSXYXPITQJVMB-JTQLQIEISA-N 0 0 281.312 1.040 20 5 CDBDRN CC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000590738264 342586232 /nfs/dbraw/zinc/58/62/32/342586232.db2.gz PCSJUJQIIVRMPY-SNVBAGLBSA-N 0 0 289.295 1.475 20 5 CDBDRN C[C@H]1C[C@@H](O)CN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000590738357 342586265 /nfs/dbraw/zinc/58/62/65/342586265.db2.gz UXFRJAKIIFWUPJ-JGVFFNPUSA-N 0 0 269.276 1.523 20 5 CDBDRN NC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000590737825 342586328 /nfs/dbraw/zinc/58/63/28/342586328.db2.gz XLTUGZGKRUAGTE-RQJHMYQMSA-N 0 0 255.299 1.722 20 5 CDBDRN Cc1cc(C(=O)N(C)Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000196404753 342586928 /nfs/dbraw/zinc/58/69/28/342586928.db2.gz JTAFBMSOVPGMRY-UHFFFAOYSA-N 0 0 288.307 1.909 20 5 CDBDRN Cc1c(CC(=O)NC[C@@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000124923958 187161639 /nfs/dbraw/zinc/16/16/39/187161639.db2.gz AZRLJBYEHCRJNH-QWRGUYRKSA-N 0 0 294.351 1.969 20 5 CDBDRN CCN(C[C@H]1CCOC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000048433146 342089872 /nfs/dbraw/zinc/08/98/72/342089872.db2.gz DPOYARRHUCZZPV-SECBINFHSA-N 0 0 268.269 1.686 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCSC[C@H]1C1CC1 ZINC000590872745 342604184 /nfs/dbraw/zinc/60/41/84/342604184.db2.gz NDRJQLRFGRNSGP-VIFPVBQESA-N 0 0 282.325 1.286 20 5 CDBDRN Cc1ccncc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609178696 342093122 /nfs/dbraw/zinc/09/31/22/342093122.db2.gz CAVNITRFWFUIRU-UHFFFAOYSA-N 0 0 260.253 1.889 20 5 CDBDRN C[C@H]([C@H](C)Nc1cccnc1[N+](=O)[O-])N1CCOCC1 ZINC000609192742 342093375 /nfs/dbraw/zinc/09/33/75/342093375.db2.gz IYAODLFCCQPRNN-WDEREUQCSA-N 0 0 280.328 1.511 20 5 CDBDRN CC(=O)c1csc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000048640568 342099910 /nfs/dbraw/zinc/09/99/10/342099910.db2.gz PAHRNYBZKLNCCL-UHFFFAOYSA-N 0 0 295.280 1.089 20 5 CDBDRN C[C@@H]1[C@H](O)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000590915064 342608533 /nfs/dbraw/zinc/60/85/33/342608533.db2.gz KULXZOSATQXTRT-ZWNOBZJWSA-N 0 0 293.323 1.302 20 5 CDBDRN Cc1cc(C(=O)NCc2cocn2)ccc1[N+](=O)[O-] ZINC000609343802 342103468 /nfs/dbraw/zinc/10/34/68/342103468.db2.gz KORBXZXEMIHVBT-UHFFFAOYSA-N 0 0 261.237 1.821 20 5 CDBDRN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H]2C[C@@H]21 ZINC000590994520 342613128 /nfs/dbraw/zinc/61/31/28/342613128.db2.gz HCUQTLPTMDCPQH-VHSXEESVSA-N 0 0 282.683 1.862 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCS(=O)(=O)C2)c(F)c1 ZINC000591147323 342618488 /nfs/dbraw/zinc/61/84/88/342618488.db2.gz YQEATAGPDUXTQZ-ZETCQYMHSA-N 0 0 289.288 1.118 20 5 CDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](C2CCC2)C1 ZINC000591127738 342619180 /nfs/dbraw/zinc/61/91/80/342619180.db2.gz XGUMWEJDGCSPRU-SECBINFHSA-N 0 0 264.285 1.580 20 5 CDBDRN COc1cc(NC[C@@H]2CCCNC2=O)c(F)cc1[N+](=O)[O-] ZINC000591183284 342619759 /nfs/dbraw/zinc/61/97/59/342619759.db2.gz OLQYKJUBPBGUFY-QMMMGPOBSA-N 0 0 297.286 1.681 20 5 CDBDRN C[C@H]1C[C@@H](CO)CN(c2cccnc2[N+](=O)[O-])C1 ZINC000591462742 342631342 /nfs/dbraw/zinc/63/13/42/342631342.db2.gz QTWDEZBEACKECC-VHSXEESVSA-N 0 0 251.286 1.445 20 5 CDBDRN CC[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000616689699 342128247 /nfs/dbraw/zinc/12/82/47/342128247.db2.gz HIGJSLUZSSTWFZ-AWEZNQCLSA-N 0 0 294.307 1.902 20 5 CDBDRN CO[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])CC(C)C ZINC000591321181 342625712 /nfs/dbraw/zinc/62/57/12/342625712.db2.gz ZYQZPFRENQTSKA-MRVPVSSYSA-N 0 0 270.289 1.109 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)CO ZINC000591529670 342634643 /nfs/dbraw/zinc/63/46/43/342634643.db2.gz ASRFDQGPOOWJIM-UHFFFAOYSA-N 0 0 280.324 1.960 20 5 CDBDRN CCOC(C)(C)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311009532 342143158 /nfs/dbraw/zinc/14/31/58/342143158.db2.gz XAWNLCRUXXDIDF-UHFFFAOYSA-N 0 0 254.290 1.799 20 5 CDBDRN Cc1cc(C(=O)N[C@@H](C)Cn2ccnc2)ccc1[N+](=O)[O-] ZINC000047931502 342146776 /nfs/dbraw/zinc/14/67/76/342146776.db2.gz GEGZJAICATVEHN-NSHDSACASA-N 0 0 288.307 1.918 20 5 CDBDRN C[C@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])c[nH]1)CCOCC2 ZINC000592463363 342691549 /nfs/dbraw/zinc/69/15/49/342691549.db2.gz OUANQBSGWYHVPH-JTQLQIEISA-N 0 0 293.323 1.954 20 5 CDBDRN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340579646 361854273 /nfs/dbraw/zinc/85/42/73/361854273.db2.gz UHUQZEQPOZMCCH-UHFFFAOYSA-N 0 0 299.250 1.355 20 5 CDBDRN Cc1nccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000048737297 342154953 /nfs/dbraw/zinc/15/49/53/342154953.db2.gz YBTBKRZCBBOSLP-UHFFFAOYSA-N 0 0 272.264 1.623 20 5 CDBDRN CC[C@H](C)C[C@H](CO)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000592875287 342743035 /nfs/dbraw/zinc/74/30/35/342743035.db2.gz SMTMUOLRVDVMBR-IONNQARKSA-N 0 0 284.316 1.153 20 5 CDBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)OC(C)(C)C ZINC000592896227 342744689 /nfs/dbraw/zinc/74/46/89/342744689.db2.gz IQHPFPHXBBQORO-ZETCQYMHSA-N 0 0 298.299 1.168 20 5 CDBDRN Cc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c[nH]1 ZINC000339268074 282143799 /nfs/dbraw/zinc/14/37/99/282143799.db2.gz BYQJOCFZCOUDPM-UHFFFAOYSA-N 0 0 286.291 1.825 20 5 CDBDRN CO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289885523 361881585 /nfs/dbraw/zinc/88/15/85/361881585.db2.gz MOUQJDHBMMJBEX-JQWIXIFHSA-N 0 0 295.295 1.439 20 5 CDBDRN Cn1c(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000340608739 361883280 /nfs/dbraw/zinc/88/32/80/361883280.db2.gz IFYFIAFUEMJMTC-BXKDBHETSA-N 0 0 279.296 1.231 20 5 CDBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCCO1 ZINC000593136106 342772950 /nfs/dbraw/zinc/77/29/50/342772950.db2.gz KYUBWUVPUKOKMB-UHFFFAOYSA-N 0 0 268.244 1.830 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCS(=O)(=O)C1 ZINC000593382566 342792934 /nfs/dbraw/zinc/79/29/34/342792934.db2.gz IEQAJPBNOLPIJS-VIFPVBQESA-N 0 0 298.320 1.358 20 5 CDBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000593541678 342810444 /nfs/dbraw/zinc/81/04/44/342810444.db2.gz DVKGTHKXODJTLN-UHFFFAOYSA-N 0 0 296.298 1.507 20 5 CDBDRN CC(C)(O)C1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593638436 342821255 /nfs/dbraw/zinc/82/12/55/342821255.db2.gz WZCJRSLROQRGKU-UHFFFAOYSA-N 0 0 296.298 1.506 20 5 CDBDRN O=[N+]([O-])c1ccc(NCC[C@@]2(O)CCCOC2)cn1 ZINC000593519362 342805966 /nfs/dbraw/zinc/80/59/66/342805966.db2.gz PYIZRIQFCIJHMO-LBPRGKRZSA-N 0 0 267.285 1.333 20 5 CDBDRN CC[C@@H]1CO[C@@H](CC)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000593494903 342807626 /nfs/dbraw/zinc/80/76/26/342807626.db2.gz UDFVTVXYNSFVGO-BDAKNGLRSA-N 0 0 281.316 1.191 20 5 CDBDRN C[C@H](CCCCO)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593734738 342830611 /nfs/dbraw/zinc/83/06/11/342830611.db2.gz LTDQXJUMGFVWQH-SNVBAGLBSA-N 0 0 298.314 1.944 20 5 CDBDRN COC1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000265253789 361943035 /nfs/dbraw/zinc/94/30/35/361943035.db2.gz ZYVFOXJVMHYNSO-UHFFFAOYSA-N 0 0 296.327 1.207 20 5 CDBDRN CC[C@@](C)(CCO)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456002636 361955119 /nfs/dbraw/zinc/95/51/19/361955119.db2.gz WPPZIECAVVPMIF-ZDUSSCGKSA-N 0 0 296.327 1.312 20 5 CDBDRN CO[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000593816602 342838792 /nfs/dbraw/zinc/83/87/92/342838792.db2.gz MNCAVLWZAVAYKB-RKDXNWHRSA-N 0 0 268.273 1.005 20 5 CDBDRN O=C(Nc1ccc(F)cn1)c1c[nH]nc1[N+](=O)[O-] ZINC000573278044 361980382 /nfs/dbraw/zinc/98/03/82/361980382.db2.gz CJQBXNUEYUIQQF-UHFFFAOYSA-N 0 0 251.177 1.104 20 5 CDBDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000593785256 342839676 /nfs/dbraw/zinc/83/96/76/342839676.db2.gz BFBUPNVOEJHGKR-IONNQARKSA-N 0 0 266.301 1.872 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC([C@H]2CCOC2)C1 ZINC000619422951 342218035 /nfs/dbraw/zinc/21/80/35/342218035.db2.gz LRXCAXSUSQUCTA-VIFPVBQESA-N 0 0 279.296 1.042 20 5 CDBDRN C[C@@H](CO)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000533974693 282159635 /nfs/dbraw/zinc/15/96/35/282159635.db2.gz FHARHDIAAWDXIZ-LLVKDONJSA-N 0 0 295.339 1.803 20 5 CDBDRN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594389350 342894230 /nfs/dbraw/zinc/89/42/30/342894230.db2.gz HMKHDQCSHLEGGT-ZETCQYMHSA-N 0 0 298.299 1.026 20 5 CDBDRN CCc1ccc(C(=O)NC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600510681 342229057 /nfs/dbraw/zinc/22/90/57/342229057.db2.gz JVSBKMPOOZXOGJ-WVSHTKLVSA-N 0 0 278.308 1.658 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H](O)C1CC1 ZINC000588822319 342222256 /nfs/dbraw/zinc/22/22/56/342222256.db2.gz DWTCCRIESZDOTG-JTQLQIEISA-N 0 0 268.317 1.327 20 5 CDBDRN NC(=O)N1CCC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000588842900 342222782 /nfs/dbraw/zinc/22/27/82/342222782.db2.gz DSKRVVKIUABVHH-MRVPVSSYSA-N 0 0 284.341 1.859 20 5 CDBDRN CCc1nn(C)c(N2CCC3(CCOC3)CC2)c1[N+](=O)[O-] ZINC000588839228 342222967 /nfs/dbraw/zinc/22/29/67/342222967.db2.gz YTQMWDIBKDPULJ-UHFFFAOYSA-N 0 0 294.355 1.898 20 5 CDBDRN O=C(NC[C@H]1C[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600697033 342242799 /nfs/dbraw/zinc/24/27/99/342242799.db2.gz UEYXCIQHCVKENM-OTSSQURYSA-N 0 0 283.259 1.626 20 5 CDBDRN C[C@@H](O)CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594415196 342902310 /nfs/dbraw/zinc/90/23/10/342902310.db2.gz OKURCEVGRCPREO-SNVBAGLBSA-N 0 0 294.307 1.345 20 5 CDBDRN CC1(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC=CC1 ZINC000594591751 342922590 /nfs/dbraw/zinc/92/25/90/342922590.db2.gz WOZLHIPOARVUDQ-UHFFFAOYSA-N 0 0 262.269 1.609 20 5 CDBDRN CC(C)N(Cc1ccccn1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600838569 342252325 /nfs/dbraw/zinc/25/23/25/342252325.db2.gz CZFVIQXNYMYEBG-UHFFFAOYSA-N 0 0 289.295 1.764 20 5 CDBDRN CC(C)Oc1nc(NC[C@H]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000594571797 342919874 /nfs/dbraw/zinc/91/98/74/342919874.db2.gz LSTNKWOKHBHDJY-WDEREUQCSA-N 0 0 295.339 1.772 20 5 CDBDRN CC(C)(CO)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000119952688 342272151 /nfs/dbraw/zinc/27/21/51/342272151.db2.gz CYIQNJMXAYQGHS-UHFFFAOYSA-N 0 0 292.295 1.219 20 5 CDBDRN CC[C@](C)(O)Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640475 342939366 /nfs/dbraw/zinc/93/93/66/342939366.db2.gz GTVOVLJFMVGYJP-ZDUSSCGKSA-N 0 0 276.296 1.879 20 5 CDBDRN CNC(=O)CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000056530573 342281583 /nfs/dbraw/zinc/28/15/83/342281583.db2.gz NHLHPDHWRDPETP-UHFFFAOYSA-N 0 0 294.311 1.551 20 5 CDBDRN CCN(C)C(=O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594907146 342971867 /nfs/dbraw/zinc/97/18/67/342971867.db2.gz RTXJRTPNQHELTR-UHFFFAOYSA-N 0 0 289.295 1.332 20 5 CDBDRN COCCCn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594915043 342984608 /nfs/dbraw/zinc/98/46/08/342984608.db2.gz MYUSLXNSSOZENM-UHFFFAOYSA-N 0 0 262.269 1.890 20 5 CDBDRN CCN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764078 342304042 /nfs/dbraw/zinc/30/40/42/342304042.db2.gz WHCGZJYDIABDBT-UHFFFAOYSA-N 0 0 251.286 1.799 20 5 CDBDRN CC(C)(O)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764292 342304102 /nfs/dbraw/zinc/30/41/02/342304102.db2.gz WYBFJZQWUDSHHN-UHFFFAOYSA-N 0 0 281.312 1.207 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1C(=O)NC ZINC000619487586 349743895 /nfs/dbraw/zinc/74/38/95/349743895.db2.gz SLTFONHJCKFWDI-UWVGGRQHSA-N 0 0 295.343 1.446 20 5 CDBDRN O=C1CC2(CN1)CCN(c1ncccc1[N+](=O)[O-])CC2 ZINC000075065670 342307588 /nfs/dbraw/zinc/30/75/88/342307588.db2.gz QKGKFMQTRPWQFH-UHFFFAOYSA-N 0 0 276.296 1.096 20 5 CDBDRN COC(=O)[C@@H](C)N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619503408 349753874 /nfs/dbraw/zinc/75/38/74/349753874.db2.gz VDQJMFICLZXTIL-MRVPVSSYSA-N 0 0 290.279 1.536 20 5 CDBDRN COC(=O)[C@@H]1C[C@H](F)CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000619503829 349753882 /nfs/dbraw/zinc/75/38/82/349753882.db2.gz QIBWEGLOVBZHAK-WPRPVWTQSA-N 0 0 283.259 1.388 20 5 CDBDRN Cc1noc(CN(CCCO)C2CC2)c1[N+](=O)[O-] ZINC000595319576 343034928 /nfs/dbraw/zinc/03/49/28/343034928.db2.gz SCJDJAAUOAPLRK-UHFFFAOYSA-N 0 0 255.274 1.238 20 5 CDBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2C[C@H]2C1 ZINC000595355075 343038078 /nfs/dbraw/zinc/03/80/78/343038078.db2.gz VFTGKFUVMQRJLP-UWVGGRQHSA-N 0 0 282.321 1.625 20 5 CDBDRN CC[C@@]1(C)COCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595401085 343048462 /nfs/dbraw/zinc/04/84/62/343048462.db2.gz RWFCZQLCQSFFHF-LBPRGKRZSA-N 0 0 269.301 1.892 20 5 CDBDRN COc1cc(NCCN2CCCC2=O)c([N+](=O)[O-])cc1C ZINC000405365376 349786160 /nfs/dbraw/zinc/78/61/60/349786160.db2.gz 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/nfs/dbraw/zinc/10/01/32/360100132.db2.gz AVRNKTASQPAGNF-UHFFFAOYSA-N 0 0 272.264 1.447 20 5 CDBDRN COc1ccc(C(=O)NCCn2cccc2)cc1[N+](=O)[O-] ZINC000342757626 360060108 /nfs/dbraw/zinc/06/01/08/360060108.db2.gz BZNFNNIVRSEJEK-UHFFFAOYSA-N 0 0 289.291 1.835 20 5 CDBDRN COCCN(CCOC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000298201573 200359438 /nfs/dbraw/zinc/35/94/38/200359438.db2.gz KQYAGHPPTLVCOU-UHFFFAOYSA-N 0 0 299.283 1.602 20 5 CDBDRN CCO[C@H]1C[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000562540394 360106476 /nfs/dbraw/zinc/10/64/76/360106476.db2.gz ZJBROZNLPGJHKY-YPMHNXCESA-N 0 0 293.323 1.690 20 5 CDBDRN CCO[C@H]1C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000562538541 360108954 /nfs/dbraw/zinc/10/89/54/360108954.db2.gz UGBLGBBKSZLZOB-SFYZADRCSA-N 0 0 256.283 1.564 20 5 CDBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000176734959 189006607 /nfs/dbraw/zinc/00/66/07/189006607.db2.gz ZLAOLGHBFCOXFI-NXEZZACHSA-N 0 0 281.312 1.644 20 5 CDBDRN CC(=O)Nc1nc(Cn2cnc([N+](=O)[O-])c2)cs1 ZINC000026980731 360209482 /nfs/dbraw/zinc/20/94/82/360209482.db2.gz BQSCOFGYIZECAL-UHFFFAOYSA-N 0 0 267.270 1.255 20 5 CDBDRN CO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C(C)(C)C ZINC000177008788 189020849 /nfs/dbraw/zinc/02/08/49/189020849.db2.gz SARSLXUGDQDMFO-LLVKDONJSA-N 0 0 295.339 1.968 20 5 CDBDRN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc[nH]n1 ZINC000177147224 189032099 /nfs/dbraw/zinc/03/20/99/189032099.db2.gz BZBWZVJHNJWBPY-UHFFFAOYSA-N 0 0 291.311 1.614 20 5 CDBDRN C[NH+]1CCC(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166733208 360262923 /nfs/dbraw/zinc/26/29/23/360262923.db2.gz PRZHEESVHCURJZ-UHFFFAOYSA-N 0 0 294.311 1.442 20 5 CDBDRN C[C@@H]1CC[N@H+](CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000548124770 360277170 /nfs/dbraw/zinc/27/71/70/360277170.db2.gz RSKDHAHWVKROMB-SNVBAGLBSA-N 0 0 293.323 1.372 20 5 CDBDRN CN(C[C@@H]1CCOC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000177243340 189038667 /nfs/dbraw/zinc/03/86/67/189038667.db2.gz LVSPTKHGDXLLMO-QMMMGPOBSA-N 0 0 270.310 1.765 20 5 CDBDRN CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000089531737 360356174 /nfs/dbraw/zinc/35/61/74/360356174.db2.gz AAUPKKGHCJHMIZ-UHFFFAOYSA-N 0 0 276.252 1.769 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000177836581 189073230 /nfs/dbraw/zinc/07/32/30/189073230.db2.gz JTFYYWWPJARYGV-GXSJLCMTSA-N 0 0 291.307 1.359 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000177871648 189075108 /nfs/dbraw/zinc/07/51/08/189075108.db2.gz YGAGIMQCKPCWPV-NSHDSACASA-N 0 0 288.307 1.977 20 5 CDBDRN CNC(=O)C(C)(C)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000161106641 360702071 /nfs/dbraw/zinc/70/20/71/360702071.db2.gz WROHBZIDMGBVKX-UHFFFAOYSA-N 0 0 281.312 1.788 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCCO)C1 ZINC000178664047 189135451 /nfs/dbraw/zinc/13/54/51/189135451.db2.gz AJIQZYCWUKQGPI-ZDUSSCGKSA-N 0 0 294.307 1.208 20 5 CDBDRN O=C(NCCOC1CCCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000161709879 360768451 /nfs/dbraw/zinc/76/84/51/360768451.db2.gz QOKIUMDVLMNGSK-UHFFFAOYSA-N 0 0 296.327 1.787 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC ZINC000514938226 360802330 /nfs/dbraw/zinc/80/23/30/360802330.db2.gz FOBNLPRGTMYUNN-SSDOTTSWSA-N 0 0 253.258 1.610 20 5 CDBDRN CCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000179102046 189169695 /nfs/dbraw/zinc/16/96/95/189169695.db2.gz FJRYYGATIVADSM-PSASIEDQSA-N 0 0 296.327 1.113 20 5 CDBDRN C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262271285 296023901 /nfs/dbraw/zinc/02/39/01/296023901.db2.gz VVHCETMBGRATSQ-KOLCDFICSA-N 0 0 293.323 1.642 20 5 CDBDRN Cc1nc(N2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000151635174 360942335 /nfs/dbraw/zinc/94/23/35/360942335.db2.gz UKYMGQQDRJETJR-QWHCGFSZSA-N 0 0 293.323 1.682 20 5 CDBDRN CC(C)(C(=O)Nc1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000340462303 360927314 /nfs/dbraw/zinc/92/73/14/360927314.db2.gz FHEXRNZCCJYECI-UHFFFAOYSA-N 0 0 276.256 1.024 20 5 CDBDRN C[C@@H](O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179648616 189209500 /nfs/dbraw/zinc/20/95/00/189209500.db2.gz NDBWCPFVQKAXET-SSDOTTSWSA-N 0 0 280.305 1.920 20 5 CDBDRN O=C(NC1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179896476 189226587 /nfs/dbraw/zinc/22/65/87/189226587.db2.gz BWZRMQVEBYYLLV-UHFFFAOYSA-N 0 0 278.264 1.996 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)CO ZINC000179951733 189229178 /nfs/dbraw/zinc/22/91/78/189229178.db2.gz VNCPBPCBAGAQSH-QMMMGPOBSA-N 0 0 283.284 1.448 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCOCC1 ZINC000180036392 189233850 /nfs/dbraw/zinc/23/38/50/189233850.db2.gz WMVBQSTYMKNBHE-LBPRGKRZSA-N 0 0 278.308 1.823 20 5 CDBDRN CC1(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000408457274 361118353 /nfs/dbraw/zinc/11/83/53/361118353.db2.gz OEYCPWUAYVAQAH-UHFFFAOYSA-N 0 0 282.321 1.840 20 5 CDBDRN Cc1ccc(NC(=O)N[C@H](C)c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000180587499 189263394 /nfs/dbraw/zinc/26/33/94/189263394.db2.gz MIUORZAALVBMBH-MRVPVSSYSA-N 0 0 290.283 1.904 20 5 CDBDRN CCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455822030 361234537 /nfs/dbraw/zinc/23/45/37/361234537.db2.gz GKVHOMKTINOFGY-UHFFFAOYSA-N 0 0 296.327 1.265 20 5 CDBDRN CSc1ccc(C(=O)NC(C)(C)CO)cc1[N+](=O)[O-] ZINC000035109729 361257171 /nfs/dbraw/zinc/25/71/71/361257171.db2.gz WKXYSAMCQYNDCT-UHFFFAOYSA-N 0 0 284.337 1.817 20 5 CDBDRN NC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000301561038 201069067 /nfs/dbraw/zinc/06/90/67/201069067.db2.gz KHOCRBOGMFTZEB-BDAKNGLRSA-N 0 0 267.260 1.800 20 5 CDBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CC)CC ZINC000345654945 361356114 /nfs/dbraw/zinc/35/61/14/361356114.db2.gz FRAUEIPYBXEQRB-SNVBAGLBSA-N 0 0 297.359 1.696 20 5 CDBDRN NS(=O)(=O)c1ccc(NCCC2CCC2)c([N+](=O)[O-])c1 ZINC000301539441 201056828 /nfs/dbraw/zinc/05/68/28/201056828.db2.gz BHCZNTGHSBZHSJ-UHFFFAOYSA-N 0 0 299.352 1.844 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000188993023 238720288 /nfs/dbraw/zinc/72/02/88/238720288.db2.gz YPZUFRPHFCRKNA-UHFFFAOYSA-N 0 0 296.327 1.358 20 5 CDBDRN C[C@H](CCS(C)(=O)=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000301666116 201124500 /nfs/dbraw/zinc/12/45/00/201124500.db2.gz MDXAFNBGOQSWOC-SECBINFHSA-N 0 0 272.326 1.830 20 5 CDBDRN O=[N+]([O-])c1cnc(N[C@H]2CCN(CC(F)(F)F)C2)nc1 ZINC000302124286 201352007 /nfs/dbraw/zinc/35/20/07/201352007.db2.gz VSXHXUGCUSATCU-ZETCQYMHSA-N 0 0 291.233 1.433 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@H](O)c2cccc(F)c2)nc1 ZINC000302147216 201365357 /nfs/dbraw/zinc/36/53/57/201365357.db2.gz ILDHRSAVCFZOSN-NSHDSACASA-N 0 0 278.243 1.669 20 5 CDBDRN COCCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291648904 239219395 /nfs/dbraw/zinc/21/93/95/239219395.db2.gz NMZNJPMGGXKEAI-UHFFFAOYSA-N 0 0 262.265 1.946 20 5 CDBDRN Cc1cc(N2CC[C@@H](CS(C)(=O)=O)C2)ncc1[N+](=O)[O-] ZINC000291793166 239235696 /nfs/dbraw/zinc/23/56/96/239235696.db2.gz IXWNMPOWKRUQHO-SNVBAGLBSA-N 0 0 299.352 1.169 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[S@](C)=O ZINC000302166153 201376020 /nfs/dbraw/zinc/37/60/20/201376020.db2.gz OTZJRTIKEDSGJX-SQFXPLBJSA-N 0 0 299.352 1.133 20 5 CDBDRN COc1ccc(C=O)cc1Oc1ncc([N+](=O)[O-])cn1 ZINC000302170039 201378449 /nfs/dbraw/zinc/37/84/49/201378449.db2.gz UFHKQRLAXSRDES-UHFFFAOYSA-N 0 0 275.220 1.998 20 5 CDBDRN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@H]1CCCCO1 ZINC000057979110 363854692 /nfs/dbraw/zinc/85/46/92/363854692.db2.gz WSSZNEPPGRDNEP-LLVKDONJSA-N 0 0 289.291 1.874 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000580435937 363908383 /nfs/dbraw/zinc/90/83/83/363908383.db2.gz LSSPOZPBFNOVSD-DTWKUNHWSA-N 0 0 264.285 1.703 20 5 CDBDRN Nc1nccc(C(=O)N[C@H]2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000580724458 363935954 /nfs/dbraw/zinc/93/59/54/363935954.db2.gz DLFHWFWFWQRUCQ-SFYZADRCSA-N 0 0 282.275 1.413 20 5 CDBDRN CNc1nccc(C(=O)N[C@@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000581022526 363963133 /nfs/dbraw/zinc/96/31/33/363963133.db2.gz XVDINPFOXBRJLR-YFKPBYRVSA-N 0 0 292.217 1.134 20 5 CDBDRN CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000456229739 364039208 /nfs/dbraw/zinc/03/92/08/364039208.db2.gz LNTQFFMPPZNZCP-ZWNOBZJWSA-N 0 0 280.324 1.803 20 5 CDBDRN CC[C@@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H](C)O ZINC000456267753 364066339 /nfs/dbraw/zinc/06/63/39/364066339.db2.gz TWQMOQAYWIWKKV-PSASIEDQSA-N 0 0 282.296 1.493 20 5 CDBDRN CCC(=O)c1ccc(N[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000295909588 370755899 /nfs/dbraw/zinc/75/58/99/370755899.db2.gz FONIHAUQWKQFOR-ZWNOBZJWSA-N 0 0 280.280 1.359 20 5 CDBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CC([C@H]2CCOC2)C1 ZINC000366861730 364248489 /nfs/dbraw/zinc/24/84/89/364248489.db2.gz GALCTMSAJMEYKU-LBPRGKRZSA-N 0 0 290.319 1.632 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000088147553 364259274 /nfs/dbraw/zinc/25/92/74/364259274.db2.gz GBNFZSYIHCKXSF-SNVBAGLBSA-N 0 0 264.281 1.500 20 5 CDBDRN C[C@@H]1COCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000366869810 364259443 /nfs/dbraw/zinc/25/94/43/364259443.db2.gz SIFWHBOQCQFFRG-VIFPVBQESA-N 0 0 279.296 1.286 20 5 CDBDRN C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000456458382 364399992 /nfs/dbraw/zinc/39/99/92/364399992.db2.gz OUVONPAFEGMQMP-SECBINFHSA-N 0 0 291.311 1.028 20 5 CDBDRN O=[N+]([O-])c1cnn(CCN2CCc3ccc(F)cc32)c1 ZINC000174836076 364581953 /nfs/dbraw/zinc/58/19/53/364581953.db2.gz SFRQDGIZLAOXFX-UHFFFAOYSA-N 0 0 276.271 1.993 20 5 CDBDRN C[C@H](CCCO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268275397 364605868 /nfs/dbraw/zinc/60/58/68/364605868.db2.gz UMJCWZRJFULXBQ-MRVPVSSYSA-N 0 0 292.295 1.362 20 5 CDBDRN C[C@@H](Cn1ccnc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000042375595 364570580 /nfs/dbraw/zinc/57/05/80/364570580.db2.gz AIDCXHJWJVKZBR-VIFPVBQESA-N 0 0 289.295 1.391 20 5 CDBDRN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1nc[nH]n1 ZINC000174811681 364571002 /nfs/dbraw/zinc/57/10/02/364571002.db2.gz BBDPEWMTSSPPSP-UHFFFAOYSA-N 0 0 277.284 1.224 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCO1 ZINC000121400660 364767662 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/nfs/dbraw/zinc/94/53/95/191945395.db2.gz SNAOBXSNLISNEI-RKDXNWHRSA-N 0 0 296.327 1.113 20 5 CDBDRN CCOc1cc(N2CC(=O)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000558561672 356031787 /nfs/dbraw/zinc/03/17/87/356031787.db2.gz JDQIYIJNWGVHTL-JTQLQIEISA-N 0 0 293.323 1.660 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NC1(COC)CC1 ZINC000558608296 356036110 /nfs/dbraw/zinc/03/61/10/356036110.db2.gz MOCHYBXTIOJKEY-UHFFFAOYSA-N 0 0 254.290 1.711 20 5 CDBDRN CC(C)n1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cn1 ZINC000558746709 356043622 /nfs/dbraw/zinc/04/36/22/356043622.db2.gz OOBNOJRVFGUMSK-UHFFFAOYSA-N 0 0 264.245 1.348 20 5 CDBDRN O=C(Nc1c[nH]nc1-c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000558766590 356046211 /nfs/dbraw/zinc/04/62/11/356046211.db2.gz WDDFNOSQUFPVND-UHFFFAOYSA-N 0 0 298.262 1.960 20 5 CDBDRN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000286209431 356235245 /nfs/dbraw/zinc/23/52/45/356235245.db2.gz SNZLXYSSMFLVQH-WPRPVWTQSA-N 0 0 279.296 1.028 20 5 CDBDRN CN(CCCCCO)c1ccc([N+](=O)[O-])c2nonc21 ZINC000227109562 356250009 /nfs/dbraw/zinc/25/00/09/356250009.db2.gz AGYBVXJRJLGNJH-UHFFFAOYSA-N 0 0 280.284 1.730 20 5 CDBDRN O=C(N[C@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])[nH]1 ZINC000274489654 356271108 /nfs/dbraw/zinc/27/11/08/356271108.db2.gz BPHZJZQDHZUTAQ-MRVPVSSYSA-N 0 0 279.252 1.369 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1Nc1cc2n(n1)CCCC2 ZINC000286249790 356236537 /nfs/dbraw/zinc/23/65/37/356236537.db2.gz DKJAJOSJKPICPG-UHFFFAOYSA-N 0 0 262.273 1.605 20 5 CDBDRN C[C@@H](O)CCn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000578236174 356289644 /nfs/dbraw/zinc/28/96/44/356289644.db2.gz ALKJKOVCABLKPX-ZCFIWIBFSA-N 0 0 269.282 1.137 20 5 CDBDRN CCOC[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000336840971 356296594 /nfs/dbraw/zinc/29/65/94/356296594.db2.gz QROSSSGUXZNPFM-LLVKDONJSA-N 0 0 282.296 1.030 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)C1CC1 ZINC000336848490 356380507 /nfs/dbraw/zinc/38/05/07/356380507.db2.gz KJWSCOBYUHQFRN-CQSZACIVSA-N 0 0 294.307 1.494 20 5 CDBDRN CN(CCOCCO)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000336845822 356385474 /nfs/dbraw/zinc/38/54/74/356385474.db2.gz FOEXAAYRNILRDL-UHFFFAOYSA-N 0 0 291.307 1.588 20 5 CDBDRN Cc1cc(C(=O)NCC2(O)CCOCC2)cc([N+](=O)[O-])c1 ZINC000134805087 356407976 /nfs/dbraw/zinc/40/79/76/356407976.db2.gz ZBHOIPMZXHFRPH-UHFFFAOYSA-N 0 0 294.307 1.175 20 5 CDBDRN COc1cccc(NCCCN2CCOCC2)c1[N+](=O)[O-] ZINC000134903637 356461004 /nfs/dbraw/zinc/46/10/04/356461004.db2.gz JBQITJFYVJLHFU-UHFFFAOYSA-N 0 0 295.339 1.738 20 5 CDBDRN O=[N+]([O-])c1cccc2ncnc(NCc3ncccc3O)c21 ZINC000359883089 356432612 /nfs/dbraw/zinc/43/26/12/356432612.db2.gz WZQBNAAVVMJMHF-UHFFFAOYSA-N 0 0 297.274 1.673 20 5 CDBDRN CC(=O)N(C)Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000273698785 192267161 /nfs/dbraw/zinc/26/71/61/192267161.db2.gz GJDLLOKSGPKJBT-UHFFFAOYSA-N 0 0 290.279 1.932 20 5 CDBDRN C[C@@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000457423070 366286831 /nfs/dbraw/zinc/28/68/31/366286831.db2.gz FRHNIBWOZZQJHE-SKDRFNHKSA-N 0 0 264.281 1.892 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H](CO)Cc1ccccc1 ZINC000063218602 363495485 /nfs/dbraw/zinc/49/54/85/363495485.db2.gz PBMHDRMZNJIBMM-LLVKDONJSA-N 0 0 276.296 1.344 20 5 CDBDRN COc1cc(C(=O)N2C[C@H](O)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000331127336 356645858 /nfs/dbraw/zinc/64/58/58/356645858.db2.gz ZJAOUPICPFHRGW-LDYMZIIASA-N 0 0 294.307 1.507 20 5 CDBDRN COC(=O)C(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000286495160 356777760 /nfs/dbraw/zinc/77/77/60/356777760.db2.gz QTZGWULOCSBWIF-UHFFFAOYSA-N 0 0 284.268 1.507 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc2c1OCO2 ZINC000360193967 356889862 /nfs/dbraw/zinc/88/98/62/356889862.db2.gz KNITWCUQGXKXJL-UHFFFAOYSA-N 0 0 290.235 1.159 20 5 CDBDRN CC(C)O[C@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1(C)C ZINC000274325302 356864289 /nfs/dbraw/zinc/86/42/89/356864289.db2.gz DQSYWDYPMUMYRE-ZJUUUORDSA-N 0 0 296.327 1.640 20 5 CDBDRN COc1cc(NC[C@@H](O)COCC2CC2)ccc1[N+](=O)[O-] ZINC000360224994 356908186 /nfs/dbraw/zinc/90/81/86/356908186.db2.gz MCHRBPINIJRRIU-GFCCVEGCSA-N 0 0 296.323 1.803 20 5 CDBDRN Cc1ccnc(NCCCN2CCCCC2=O)c1[N+](=O)[O-] ZINC000360278685 356968497 /nfs/dbraw/zinc/96/84/97/356968497.db2.gz KGHDTOBBYIWJKY-UHFFFAOYSA-N 0 0 292.339 1.535 20 5 CDBDRN Cc1nn(CC(=O)N(C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000046061178 357134339 /nfs/dbraw/zinc/13/43/39/357134339.db2.gz NVBUXCGYVMZVHZ-UHFFFAOYSA-N 0 0 252.274 1.029 20 5 CDBDRN CCO[C@@H]1C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000562540016 290541248 /nfs/dbraw/zinc/54/12/48/290541248.db2.gz ABEMGPTXHHMCJK-NWDGAFQWSA-N 0 0 280.280 1.267 20 5 CDBDRN CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000047836393 357166218 /nfs/dbraw/zinc/16/62/18/357166218.db2.gz BUNUUQLWVYYPKC-UHFFFAOYSA-N 0 0 279.252 1.029 20 5 CDBDRN CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048660187 357193670 /nfs/dbraw/zinc/19/36/70/357193670.db2.gz NFDKODWNHIVUIG-UHFFFAOYSA-N 0 0 276.289 1.812 20 5 CDBDRN COCC[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000118974339 357193730 /nfs/dbraw/zinc/19/37/30/357193730.db2.gz YWOBZUJNAQZCAU-JTQLQIEISA-N 0 0 280.324 1.987 20 5 CDBDRN C[C@H](O)C[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341252027 357211355 /nfs/dbraw/zinc/21/13/55/357211355.db2.gz XLOAEFHVLYXKOM-QWRGUYRKSA-N 0 0 295.339 1.596 20 5 CDBDRN CCN(C[C@H](C)O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341318338 357226796 /nfs/dbraw/zinc/22/67/96/357226796.db2.gz XSNJPMKVXMMAKP-VIFPVBQESA-N 0 0 291.307 1.919 20 5 CDBDRN CO[C@@](C)(CNc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000310976196 357233167 /nfs/dbraw/zinc/23/31/67/357233167.db2.gz JASZFLGPEXGOEX-NSHDSACASA-N 0 0 254.290 1.555 20 5 CDBDRN COC[C@H](C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180981694 357298925 /nfs/dbraw/zinc/29/89/25/357298925.db2.gz LMHNIOQMBXVXLB-MRVPVSSYSA-N 0 0 267.285 1.189 20 5 CDBDRN CCOC(=O)[C@@H](CC(C)C)NCCn1cc([N+](=O)[O-])cn1 ZINC000181019715 357303884 /nfs/dbraw/zinc/30/38/84/357303884.db2.gz WVMALHKYUDHZIY-GFCCVEGCSA-N 0 0 298.343 1.359 20 5 CDBDRN C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120196047 357256449 /nfs/dbraw/zinc/25/64/49/357256449.db2.gz NISZBNVVXCFWIQ-UHFFFAOYSA-N 0 0 277.324 1.825 20 5 CDBDRN O=C1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CCN1 ZINC000302030880 357267493 /nfs/dbraw/zinc/26/74/93/357267493.db2.gz BYPVJPCIIWDEGD-UHFFFAOYSA-N 0 0 287.222 1.132 20 5 CDBDRN C[C@H](C[C@H](C)O)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000541240450 357327978 /nfs/dbraw/zinc/32/79/78/357327978.db2.gz HPWQDQSMQRVGHJ-SFYZADRCSA-N 0 0 296.279 1.213 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NO[C@H]1CCCCO1 ZINC000279566302 357353744 /nfs/dbraw/zinc/35/37/44/357353744.db2.gz YYZUBNYLAZDLJC-NSHDSACASA-N 0 0 299.258 1.504 20 5 CDBDRN C[C@@H](C[S@](C)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000185051840 357504307 /nfs/dbraw/zinc/50/43/07/357504307.db2.gz TXZRZHZAFVQARU-XJVDXIFASA-N 0 0 296.348 1.491 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)CO ZINC000282798597 357477011 /nfs/dbraw/zinc/47/70/11/357477011.db2.gz OILAONUUDFHGNQ-JTQLQIEISA-N 0 0 281.312 1.154 20 5 CDBDRN CNc1ccc(C(=O)N(C)C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000380314100 357515603 /nfs/dbraw/zinc/51/56/03/357515603.db2.gz IRRWABXQHNQGDA-VIFPVBQESA-N 0 0 281.312 1.743 20 5 CDBDRN Cc1cccc(C(=O)N2C[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000360861083 357721230 /nfs/dbraw/zinc/72/12/30/357721230.db2.gz ZUBTXCPPYAEXNT-WDEREUQCSA-N 0 0 278.308 1.604 20 5 CDBDRN COCCONC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000135138691 357689382 /nfs/dbraw/zinc/68/93/82/357689382.db2.gz UFOLDPVHAPNGOJ-QPJJXVBHSA-N 0 0 266.253 1.302 20 5 CDBDRN C/C=C/C[C@@H](CO)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000187113613 357730120 /nfs/dbraw/zinc/73/01/20/357730120.db2.gz PKWURCMLGXQMJK-FSIBCCDJSA-N 0 0 294.307 1.660 20 5 CDBDRN COc1cc(NC[C@H](O)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361041403 357776822 /nfs/dbraw/zinc/77/68/22/357776822.db2.gz VWJFAOWQHPKPCP-SKDRFNHKSA-N 0 0 282.296 1.413 20 5 CDBDRN O=C(NCC1(CO)CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000135153885 357729173 /nfs/dbraw/zinc/72/91/73/357729173.db2.gz KWYLZERANURADX-UHFFFAOYSA-N 0 0 267.285 1.205 20 5 CDBDRN CNC(=O)C1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178159412 283287007 /nfs/dbraw/zinc/28/70/07/283287007.db2.gz IJUSQNBCRREXKO-UHFFFAOYSA-N 0 0 278.312 1.261 20 5 CDBDRN C[C@H]1C[C@@H](O)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000294390204 199021705 /nfs/dbraw/zinc/02/17/05/199021705.db2.gz WJWYXJKBQFISEZ-CBAPKCEASA-N 0 0 270.310 1.642 20 5 CDBDRN O=C([C@@H]1CCOC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188489078 357903567 /nfs/dbraw/zinc/90/35/67/357903567.db2.gz JDGHNGATWBIIIL-SNVBAGLBSA-N 0 0 292.291 1.221 20 5 CDBDRN CC[C@@H](CO)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000075954926 357962499 /nfs/dbraw/zinc/96/24/99/357962499.db2.gz NSQPPYNVOKSJBE-VIFPVBQESA-N 0 0 267.285 1.796 20 5 CDBDRN C[C@@H]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000188905651 357950901 /nfs/dbraw/zinc/95/09/01/357950901.db2.gz FUWQGYHZGPYXGW-MNOVXSKESA-N 0 0 280.328 1.876 20 5 CDBDRN COCCO[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286691008 357955817 /nfs/dbraw/zinc/95/58/17/357955817.db2.gz NUSAMDFUEWIUDF-LLVKDONJSA-N 0 0 281.312 1.419 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])cn(CC[C@H]2CCCO2)c1=O ZINC000188972116 357958930 /nfs/dbraw/zinc/95/89/30/357958930.db2.gz VFTBWUBSTYTLRX-SNVBAGLBSA-N 0 0 296.279 1.112 20 5 CDBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOCC12CC2 ZINC000619797021 358005763 /nfs/dbraw/zinc/00/57/63/358005763.db2.gz UAWDMAYWVABXAU-UHFFFAOYSA-N 0 0 298.320 1.148 20 5 CDBDRN C[C@H](C[S@@](C)=O)Nc1c(F)cccc1[N+](=O)[O-] ZINC000286910036 358026042 /nfs/dbraw/zinc/02/60/42/358026042.db2.gz POTDOVSUYRGCGI-IWEMQMMOSA-N 0 0 260.290 1.913 20 5 CDBDRN COCCn1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000294584526 199096715 /nfs/dbraw/zinc/09/67/15/199096715.db2.gz PABQEEAXJXKADP-UHFFFAOYSA-N 0 0 284.316 1.304 20 5 CDBDRN CCOc1cc(OS(=O)(=O)CC)ccc1[N+](=O)[O-] ZINC000190514312 358077889 /nfs/dbraw/zinc/07/78/89/358077889.db2.gz RBULHXYBQSHHIL-UHFFFAOYSA-N 0 0 275.282 1.722 20 5 CDBDRN Cc1ncc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)s1 ZINC000337626328 358097245 /nfs/dbraw/zinc/09/72/45/358097245.db2.gz VHEKLUQSYSETLJ-UHFFFAOYSA-N 0 0 280.265 1.713 20 5 CDBDRN CC(=O)Nc1cccc(Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000131265664 358098415 /nfs/dbraw/zinc/09/84/15/358098415.db2.gz BLPWZLNCORIUQS-UHFFFAOYSA-N 0 0 287.275 1.763 20 5 CDBDRN C[C@@H](CCCO)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000296180972 199809277 /nfs/dbraw/zinc/80/92/77/199809277.db2.gz SSWUVFQZFHUVGJ-NSHDSACASA-N 0 0 295.339 1.532 20 5 CDBDRN CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000337727239 358127895 /nfs/dbraw/zinc/12/78/95/358127895.db2.gz CSGXSLTWFWJITN-MWLCHTKSSA-N 0 0 281.312 1.621 20 5 CDBDRN CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000337740624 358162206 /nfs/dbraw/zinc/16/22/06/358162206.db2.gz RIAFVALJZXZACH-ZJUUUORDSA-N 0 0 281.312 1.573 20 5 CDBDRN CC1=C(C)CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000361350005 358165967 /nfs/dbraw/zinc/16/59/67/358165967.db2.gz AVDAGDYDRSKQEQ-UHFFFAOYSA-N 0 0 264.285 1.511 20 5 CDBDRN Cc1nccnc1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000294717962 199148941 /nfs/dbraw/zinc/14/89/41/199148941.db2.gz WBARNMGFTCDCBU-UHFFFAOYSA-N 0 0 292.320 1.727 20 5 CDBDRN COC(=O)CSCCNc1ncc([N+](=O)[O-])s1 ZINC000192451221 358204388 /nfs/dbraw/zinc/20/43/88/358204388.db2.gz PFOFEOSXDMPAMB-UHFFFAOYSA-N 0 0 277.327 1.369 20 5 CDBDRN CCc1n[nH]c(C(=O)NC2(CC)CCC2)c1[N+](=O)[O-] ZINC000192678903 358227659 /nfs/dbraw/zinc/22/76/59/358227659.db2.gz IFLMXGZYXJILIV-UHFFFAOYSA-N 0 0 266.301 1.943 20 5 CDBDRN CCC(=O)N1CC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192800454 358237374 /nfs/dbraw/zinc/23/73/74/358237374.db2.gz OXRJOBOWXNOAHZ-JTQLQIEISA-N 0 0 278.312 1.600 20 5 CDBDRN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000192825246 358239825 /nfs/dbraw/zinc/23/98/25/358239825.db2.gz NYYGTTLVQBUHNS-SSDOTTSWSA-N 0 0 284.341 1.458 20 5 CDBDRN COc1ccc(COc2cccc([N+](=O)[O-])c2)nn1 ZINC000337765382 358275942 /nfs/dbraw/zinc/27/59/42/358275942.db2.gz SDMGZAHQVLCESK-UHFFFAOYSA-N 0 0 261.237 1.972 20 5 CDBDRN CC(C)(CCC(=O)N[C@H]1c2ccccc2C[C@@H]1O)[N+](=O)[O-] ZINC000294783068 199180964 /nfs/dbraw/zinc/18/09/64/199180964.db2.gz GVVQWXHAFVDRIV-JSGCOSHPSA-N 0 0 292.335 1.596 20 5 CDBDRN CC(C)(CCC(=O)NC[C@H](O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000294832575 199202966 /nfs/dbraw/zinc/20/29/66/199202966.db2.gz LRJXQLQUHTVDIM-LBPRGKRZSA-N 0 0 298.314 1.811 20 5 CDBDRN CN(C[C@H](O)C1CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087559589 358346276 /nfs/dbraw/zinc/34/62/76/358346276.db2.gz XOKQWSUDLHBGSM-AWEZNQCLSA-N 0 0 292.335 1.757 20 5 CDBDRN CNC(=O)c1ccc(NC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000053575692 366418564 /nfs/dbraw/zinc/41/85/64/366418564.db2.gz LQZKPVIWXJJHMZ-JTQLQIEISA-N 0 0 293.323 1.793 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CCC(OCCO)CC1 ZINC000135377687 358381993 /nfs/dbraw/zinc/38/19/93/358381993.db2.gz WJQYIMWGCQWJHZ-UHFFFAOYSA-N 0 0 280.324 1.881 20 5 CDBDRN COC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1F ZINC000361671358 358423794 /nfs/dbraw/zinc/42/37/94/358423794.db2.gz BOMQVZHWUUEOAJ-NSHDSACASA-N 0 0 272.232 1.070 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](OC)C1 ZINC000361670109 358423933 /nfs/dbraw/zinc/42/39/33/358423933.db2.gz HHUFIXAVQVIRHS-SNVBAGLBSA-N 0 0 295.295 1.856 20 5 CDBDRN C[C@H](CCO)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000593882484 358617566 /nfs/dbraw/zinc/61/75/66/358617566.db2.gz PBANLVIYTXULRH-LLVKDONJSA-N 0 0 295.339 1.626 20 5 CDBDRN CNC(=O)[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000104672246 283389728 /nfs/dbraw/zinc/38/97/28/283389728.db2.gz QMRUJJGULQPKPB-ZDUSSCGKSA-N 0 0 277.324 1.695 20 5 CDBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](O)CC1 ZINC000294942467 199262856 /nfs/dbraw/zinc/26/28/56/199262856.db2.gz RRWSZGIDNCAOHL-JTQLQIEISA-N 0 0 282.271 1.721 20 5 CDBDRN Cc1nn([C@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000436475212 358745277 /nfs/dbraw/zinc/74/52/77/358745277.db2.gz SRYAXNHSUNMQME-ZDUSSCGKSA-N 0 0 288.307 1.777 20 5 CDBDRN CCC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274318987 358754286 /nfs/dbraw/zinc/75/42/86/358754286.db2.gz CIPJMCSHISDDKY-UHFFFAOYSA-N 0 0 286.309 1.161 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NOCC(C)(C)O ZINC000290899057 358762337 /nfs/dbraw/zinc/76/23/37/358762337.db2.gz DWZDOZLVCNFZAT-UHFFFAOYSA-N 0 0 258.278 1.234 20 5 CDBDRN CC(C)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(N)=O ZINC000120347451 358763923 /nfs/dbraw/zinc/76/39/23/358763923.db2.gz XTQKCDVKAXNIRB-SNVBAGLBSA-N 0 0 299.714 1.488 20 5 CDBDRN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ncccn1)CC2 ZINC000332500320 358765019 /nfs/dbraw/zinc/76/50/19/358765019.db2.gz GERLYCQPZRBWDD-UHFFFAOYSA-N 0 0 271.280 1.338 20 5 CDBDRN COCCCCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176269142 358766584 /nfs/dbraw/zinc/76/65/84/358766584.db2.gz BFIJQZHYLUWPST-UHFFFAOYSA-N 0 0 281.312 1.724 20 5 CDBDRN CC[C@@H](CSC)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290911039 358769304 /nfs/dbraw/zinc/76/93/04/358769304.db2.gz GWDUKWVBGLJHOK-ZETCQYMHSA-N 0 0 284.341 1.642 20 5 CDBDRN Nc1nc(N2CCC[C@@H]2[C@@H]2CCCOC2)ncc1[N+](=O)[O-] ZINC000567768209 358733137 /nfs/dbraw/zinc/73/31/37/358733137.db2.gz GHSXSFFTAUZUMC-NXEZZACHSA-N 0 0 293.327 1.193 20 5 CDBDRN CC[C@@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCOC1 ZINC000616324290 366461095 /nfs/dbraw/zinc/46/10/95/366461095.db2.gz ZPRAMWKJNOFHIM-LLVKDONJSA-N 0 0 253.258 1.222 20 5 CDBDRN CCC(CC)[C@H](O)CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000264970708 358799656 /nfs/dbraw/zinc/79/96/56/358799656.db2.gz YGALIGGNEZJMFE-LLVKDONJSA-N 0 0 298.343 1.013 20 5 CDBDRN CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000332648644 358862693 /nfs/dbraw/zinc/86/26/93/358862693.db2.gz LVSVZBCQDIBSMW-IUCAKERBSA-N 0 0 268.269 1.421 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccon1 ZINC000014073481 358865863 /nfs/dbraw/zinc/86/58/63/358865863.db2.gz NNEMLMPLBONYDF-UHFFFAOYSA-N 0 0 263.209 1.600 20 5 CDBDRN COC(=O)CCCONC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290426646 366510609 /nfs/dbraw/zinc/51/06/09/366510609.db2.gz ANXXYUHDLMONPP-UHFFFAOYSA-N 0 0 296.279 1.518 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2ccc(O)cc2F)c1[N+](=O)[O-] ZINC000436625165 358920158 /nfs/dbraw/zinc/92/01/58/358920158.db2.gz BYZCFLRBEIUMJE-UHFFFAOYSA-N 0 0 280.215 1.723 20 5 CDBDRN Cc1c(CN2CCNC(=O)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000104064048 358943569 /nfs/dbraw/zinc/94/35/69/358943569.db2.gz HEXVNPZHZNYUNF-CQSZACIVSA-N 0 0 291.351 1.860 20 5 CDBDRN CC[C@@](C)(CO)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000080882777 359022445 /nfs/dbraw/zinc/02/24/45/359022445.db2.gz TXHMQIZGKXASTQ-JTQLQIEISA-N 0 0 270.314 1.877 20 5 CDBDRN CO[C@@H]1COCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000450696952 358981606 /nfs/dbraw/zinc/98/16/06/358981606.db2.gz UEMKVHGBQYRDBM-GHMZBOCLSA-N 0 0 281.312 1.762 20 5 CDBDRN COc1ccc(CNC(=O)C(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000265025690 358981602 /nfs/dbraw/zinc/98/16/02/358981602.db2.gz DMWZVSGIHIVIOY-UHFFFAOYSA-N 0 0 294.307 1.835 20 5 CDBDRN CC(C)(C)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000087342958 358983448 /nfs/dbraw/zinc/98/34/48/358983448.db2.gz MJGDFHZHOAFKBJ-GFCCVEGCSA-N 0 0 293.323 1.154 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H](O)C(C)C)n1 ZINC000342345404 359011012 /nfs/dbraw/zinc/01/10/12/359011012.db2.gz GVOKXJLFGAKXLO-LLVKDONJSA-N 0 0 297.311 1.595 20 5 CDBDRN COCCCC(=O)Oc1cc([N+](=O)[O-])ccc1OC ZINC000119792916 359018327 /nfs/dbraw/zinc/01/83/27/359018327.db2.gz LPWWZKSFIJFRBL-UHFFFAOYSA-N 0 0 269.253 1.935 20 5 CDBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCCO1 ZINC000263847888 359066482 /nfs/dbraw/zinc/06/64/82/359066482.db2.gz DYYQZUIZGHJFEH-MRVPVSSYSA-N 0 0 278.268 1.746 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1ccon1 ZINC000338258625 359105546 /nfs/dbraw/zinc/10/55/46/359105546.db2.gz XLRDNEMHPHIZHT-UHFFFAOYSA-N 0 0 291.263 1.321 20 5 CDBDRN O=C(NCCn1ccnc1)Nc1cccc([N+](=O)[O-])c1 ZINC000030989613 359113166 /nfs/dbraw/zinc/11/31/66/359113166.db2.gz UQOVLMTZQMNWTQ-UHFFFAOYSA-N 0 0 275.268 1.613 20 5 CDBDRN C[C@H](NC(=O)CC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000342457065 359057118 /nfs/dbraw/zinc/05/71/18/359057118.db2.gz DYPDRKOZDWEDJC-VIFPVBQESA-N 0 0 279.296 1.250 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](O)C1 ZINC000120007888 359063333 /nfs/dbraw/zinc/06/33/33/359063333.db2.gz BINCNNMSAFSEAJ-SNVBAGLBSA-N 0 0 279.296 1.810 20 5 CDBDRN C[C@@H](O)[C@@H](C)SCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000231190947 359184584 /nfs/dbraw/zinc/18/45/84/359184584.db2.gz IZUOHTDOTLOIMZ-HTQZYQBOSA-N 0 0 284.337 1.696 20 5 CDBDRN CC(C)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000045428152 359148238 /nfs/dbraw/zinc/14/82/38/359148238.db2.gz RUPSFHZQRLAIEJ-UHFFFAOYSA-N 0 0 292.339 1.343 20 5 CDBDRN CN(C(=O)c1cnn2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC000338937206 359232947 /nfs/dbraw/zinc/23/29/47/359232947.db2.gz DZRVJDJLGVMIKC-UHFFFAOYSA-N 0 0 297.274 1.914 20 5 CDBDRN COC(=O)[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000338904342 359207629 /nfs/dbraw/zinc/20/76/29/359207629.db2.gz XVMNZMHNNODNIW-MRVPVSSYSA-N 0 0 295.295 1.337 20 5 CDBDRN NC(=O)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339175037 359300421 /nfs/dbraw/zinc/30/04/21/359300421.db2.gz VKVOYYMROOHFGV-UHFFFAOYSA-N 0 0 291.263 1.336 20 5 CDBDRN COC(=O)C[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000050084878 359303332 /nfs/dbraw/zinc/30/33/32/359303332.db2.gz YCXQRKCULUBHSP-JTQLQIEISA-N 0 0 279.296 1.912 20 5 CDBDRN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000347312450 359310773 /nfs/dbraw/zinc/31/07/73/359310773.db2.gz MVPIQXJKRMKKTB-UHFFFAOYSA-N 0 0 277.236 1.521 20 5 CDBDRN Cc1nnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[nH]1 ZINC000518469436 363647021 /nfs/dbraw/zinc/64/70/21/363647021.db2.gz IJIMQSQCSJIISS-UHFFFAOYSA-N 0 0 291.223 1.002 20 5 CDBDRN CCOC(=O)CN(CC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000038016194 359474633 /nfs/dbraw/zinc/47/46/33/359474633.db2.gz YYHASLUSRJGXSM-UHFFFAOYSA-N 0 0 294.307 1.928 20 5 CDBDRN NC(=O)C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000377136386 359524477 /nfs/dbraw/zinc/52/44/77/359524477.db2.gz NUYANAUOGCLNNW-SECBINFHSA-N 0 0 290.323 1.265 20 5 CDBDRN CC(C)(CO)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000082261956 359547644 /nfs/dbraw/zinc/54/76/44/359547644.db2.gz KFCGWNBYVBTQCX-UHFFFAOYSA-N 0 0 252.270 1.343 20 5 CDBDRN CNc1nccc(C(=O)N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000571296344 359557841 /nfs/dbraw/zinc/55/78/41/359557841.db2.gz MGYPAZQZTOUXAO-SNVBAGLBSA-N 0 0 290.323 1.326 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C(C)(C)O ZINC000296839621 200012338 /nfs/dbraw/zinc/01/23/38/200012338.db2.gz IDBCNOZXEPEIMF-VIFPVBQESA-N 0 0 296.323 1.835 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000571686098 359606673 /nfs/dbraw/zinc/60/66/73/359606673.db2.gz ZIHNLVMBCLVEJC-SCZZXKLOSA-N 0 0 294.311 1.131 20 5 CDBDRN NC(=O)c1ccnc(N2C3CCC2CC3)c1[N+](=O)[O-] ZINC000571847643 359623167 /nfs/dbraw/zinc/62/31/67/359623167.db2.gz HEFSSJYQZVHSLH-UHFFFAOYSA-N 0 0 262.269 1.220 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1ncnn1C ZINC000289575235 359624896 /nfs/dbraw/zinc/62/48/96/359624896.db2.gz IDOZDDCWFBFAEO-UHFFFAOYSA-N 0 0 268.302 1.399 20 5 CDBDRN CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000296927476 200037776 /nfs/dbraw/zinc/03/77/76/200037776.db2.gz UNHLWPFKFBPQLM-SECBINFHSA-N 0 0 297.311 1.838 20 5 CDBDRN COc1cc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000166952896 237255390 /nfs/dbraw/zinc/25/53/90/237255390.db2.gz VBIGJRDSVGRFRU-MWLCHTKSSA-N 0 0 294.307 1.446 20 5 CDBDRN Cc1c(CC(=O)Nc2ccnn2C)cccc1[N+](=O)[O-] ZINC000164260589 237240713 /nfs/dbraw/zinc/24/07/13/237240713.db2.gz HZBXCDRAXYLHOQ-UHFFFAOYSA-N 0 0 274.280 1.818 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CN(C(C)C)C1 ZINC000297138032 200095771 /nfs/dbraw/zinc/09/57/71/200095771.db2.gz QLSYFIAPDOFEQV-UHFFFAOYSA-N 0 0 277.324 1.726 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2ccc3c(n2)CCC3)c1[N+](=O)[O-] ZINC000297268046 200130019 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ZINC000114121662 139723759 /nfs/dbraw/zinc/72/37/59/139723759.db2.gz JFCNTOKOMRVCDP-UHFFFAOYSA-N 0 0 295.686 1.787 20 5 CDBDRN O=C(NC[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000089159457 370231744 /nfs/dbraw/zinc/23/17/44/370231744.db2.gz BWJFJTWAXDZZNR-JQWIXIFHSA-N 0 0 264.281 1.486 20 5 CDBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000269489127 370297027 /nfs/dbraw/zinc/29/70/27/370297027.db2.gz CDSOHLADWDDSCU-UHFFFAOYSA-N 0 0 289.295 1.466 20 5 CDBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCOC1 ZINC000266159591 370366637 /nfs/dbraw/zinc/36/66/37/370366637.db2.gz KHYXYQKAPWOEBW-SFYZADRCSA-N 0 0 253.258 1.078 20 5 CDBDRN CC(=O)c1ccc(NC[C@@H](O)C(F)F)c([N+](=O)[O-])c1 ZINC000351859237 370411449 /nfs/dbraw/zinc/41/14/49/370411449.db2.gz CFKGTTXPDUUAKP-SNVBAGLBSA-N 0 0 274.223 1.835 20 5 CDBDRN Cc1nc(N2CCC(C3OCCO3)CC2)ncc1[N+](=O)[O-] ZINC000295599187 370513352 /nfs/dbraw/zinc/51/33/52/370513352.db2.gz UFYCRUROZNDRJS-UHFFFAOYSA-N 0 0 294.311 1.283 20 5 CDBDRN CC[C@H](C)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)OC ZINC000295603918 370516150 /nfs/dbraw/zinc/51/61/50/370516150.db2.gz FFCKSRKGNKQFMZ-WPRPVWTQSA-N 0 0 298.343 1.428 20 5 CDBDRN C[C@@H](CCO)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000295686209 370572109 /nfs/dbraw/zinc/57/21/09/370572109.db2.gz YOIIMVFTVBDRFH-SECBINFHSA-N 0 0 281.312 1.315 20 5 CDBDRN CCc1n[nH]c(C(=O)N2C[C@@H](F)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000295718025 370589961 /nfs/dbraw/zinc/58/99/61/370589961.db2.gz KPLWAYONXBNLAB-OLQVQODUSA-N 0 0 274.227 1.012 20 5 CDBDRN CC[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000331559833 203966787 /nfs/dbraw/zinc/96/67/87/203966787.db2.gz ZSOCXDHWKXOSRQ-SNVBAGLBSA-N 0 0 281.316 1.225 20 5 CDBDRN C[C@@H]1OCC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000331777751 204150900 /nfs/dbraw/zinc/15/09/00/204150900.db2.gz NCESTNSNZBMQPJ-WCBMZHEXSA-N 0 0 289.291 1.983 20 5 CDBDRN CCC1(NC(=O)c2ccc([N+](=O)[O-])n2C)CCC1 ZINC000331765295 204136683 /nfs/dbraw/zinc/13/66/83/204136683.db2.gz KFLKWJKUGRAUDJ-UHFFFAOYSA-N 0 0 251.286 1.996 20 5 CDBDRN CC(C)(CCC(=O)Nc1cccc2c1CNC2=O)[N+](=O)[O-] ZINC000295406663 371260318 /nfs/dbraw/zinc/26/03/18/371260318.db2.gz TXBLLVWZTPDGKE-UHFFFAOYSA-N 0 0 291.307 1.704 20 5 CDBDRN NOCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580359973 1172412897 /nfs/dbraw/zinc/41/28/97/1172412897.db2.gz OADGIFKRQYLBRL-UHFFFAOYSA-N 0 0 279.252 1.351 20 5 CDBDRN CCN(C)C(=O)[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000289789932 284302568 /nfs/dbraw/zinc/30/25/68/284302568.db2.gz XQEDGWHWQLWCPW-MRVPVSSYSA-N 0 0 283.332 1.398 20 5 CDBDRN CC[C@@H](O)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269590308 372389144 /nfs/dbraw/zinc/38/91/44/372389144.db2.gz DECJOFFZXHWVQF-GFCCVEGCSA-N 0 0 280.324 1.723 20 5 CDBDRN CCCNC(=O)[C@H](C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332688291 204897233 /nfs/dbraw/zinc/89/72/33/204897233.db2.gz PIMLEPVMZJPCCA-JTQLQIEISA-N 0 0 292.339 1.263 20 5 CDBDRN CC[C@H](O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332709325 204917175 /nfs/dbraw/zinc/91/71/75/204917175.db2.gz KYNYMKCVOPDDKR-ZDUSSCGKSA-N 0 0 278.308 1.641 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000176724510 372747207 /nfs/dbraw/zinc/74/72/07/372747207.db2.gz ABCPNEZKWFQZRS-UHFFFAOYSA-N 0 0 288.263 1.583 20 5 CDBDRN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434325 372829743 /nfs/dbraw/zinc/82/97/43/372829743.db2.gz WMWPTXCZXHMLPY-MNOVXSKESA-N 0 0 294.355 1.346 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C)n[nH]1 ZINC000194419275 372865397 /nfs/dbraw/zinc/86/53/97/372865397.db2.gz XBSUQZKAZYSWMR-UHFFFAOYSA-N 0 0 290.279 1.565 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCO ZINC000133896236 373017947 /nfs/dbraw/zinc/01/79/47/373017947.db2.gz KGTMIBKOEVBFFX-VIFPVBQESA-N 0 0 252.270 1.404 20 5 CDBDRN CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356744972 373044616 /nfs/dbraw/zinc/04/46/16/373044616.db2.gz WVRIZZNXMONZAO-UHFFFAOYSA-N 0 0 289.295 1.386 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000356746812 373044635 /nfs/dbraw/zinc/04/46/35/373044635.db2.gz ZJAPXXQWFYJDNG-YPMHNXCESA-N 0 0 294.311 1.016 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000298367206 373513824 /nfs/dbraw/zinc/51/38/24/373513824.db2.gz LVBAOESGUXMVHJ-GMSGAONNSA-N 0 0 294.263 1.037 20 5 CDBDRN CC(=O)c1ccc(OCCn2cncn2)c([N+](=O)[O-])c1 ZINC000269666921 373534229 /nfs/dbraw/zinc/53/42/29/373534229.db2.gz MLLWBHPBRIMRMM-UHFFFAOYSA-N 0 0 276.252 1.468 20 5 CDBDRN CCN(C)C(=O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000298468919 373663918 /nfs/dbraw/zinc/66/39/18/373663918.db2.gz OWPYNRVBBXFQNQ-UHFFFAOYSA-N 0 0 265.313 1.505 20 5 CDBDRN CCOC(=O)N[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273128354 373704914 /nfs/dbraw/zinc/70/49/14/373704914.db2.gz BCMRQZIPBQLLJF-VIFPVBQESA-N 0 0 295.299 1.100 20 5 CDBDRN C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298637861 373763516 /nfs/dbraw/zinc/76/35/16/373763516.db2.gz GFOKMYMKCJERKQ-QMMMGPOBSA-N 0 0 298.320 1.036 20 5 CDBDRN C[C@H]1CCCC[C@H]1OCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000298682399 373765825 /nfs/dbraw/zinc/76/58/25/373765825.db2.gz AOUZJJKXUMNGMY-GXSJLCMTSA-N 0 0 295.343 1.974 20 5 CDBDRN Cc1ccc(S(=O)(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000298700406 373796488 /nfs/dbraw/zinc/79/64/88/373796488.db2.gz SBSDKNYWQYNPAS-UHFFFAOYSA-N 0 0 298.242 1.744 20 5 CDBDRN CNc1ccc(C(=O)N[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000219940194 373860004 /nfs/dbraw/zinc/86/00/04/373860004.db2.gz RBJSQCGXZRDXBD-KOLCDFICSA-N 0 0 293.323 1.934 20 5 CDBDRN COC(=O)[C@H](C)CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123115382 373924858 /nfs/dbraw/zinc/92/48/58/373924858.db2.gz AUHNWLNWHWDUFG-SNVBAGLBSA-N 0 0 294.307 1.784 20 5 CDBDRN CCNC(=O)[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000094659521 374085513 /nfs/dbraw/zinc/08/55/13/374085513.db2.gz GLQKGNCKLGXKGG-SECBINFHSA-N 0 0 251.286 1.840 20 5 CDBDRN CCO[C@@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)[C@@H]1OC ZINC000274142168 374136320 /nfs/dbraw/zinc/13/63/20/374136320.db2.gz XJNXTBXEMUUKKH-NDMJEZRESA-N 0 0 281.312 1.903 20 5 CDBDRN C[C@H]1c2cccn2CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000298756552 374140766 /nfs/dbraw/zinc/14/07/66/374140766.db2.gz YPVVBVNLJDUWDR-JTQLQIEISA-N 0 0 289.295 1.196 20 5 CDBDRN Cc1nn(C)c(C)c1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298832985 374225566 /nfs/dbraw/zinc/22/55/66/374225566.db2.gz AHKOJITUUJOJSQ-UHFFFAOYSA-N 0 0 263.257 1.526 20 5 CDBDRN CO[C@@H](CNc1ncc([N+](=O)[O-])s1)CC(C)C ZINC000418982903 374272845 /nfs/dbraw/zinc/27/28/45/374272845.db2.gz BMAYWSUKFRJMEI-MRVPVSSYSA-N 0 0 259.331 1.946 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N(C[C@H]1CCOC1)C1CC1 ZINC000299013403 374295954 /nfs/dbraw/zinc/29/59/54/374295954.db2.gz MFTJFLRPNZIJKQ-SECBINFHSA-N 0 0 279.296 1.564 20 5 CDBDRN CCOC1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000065743634 374282334 /nfs/dbraw/zinc/28/23/34/374282334.db2.gz RRUSFUKXHXFJMF-UHFFFAOYSA-N 0 0 296.327 1.127 20 5 CDBDRN O=C(Cn1nccc1[N+](=O)[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000298990678 374284509 /nfs/dbraw/zinc/28/45/09/374284509.db2.gz KPHJYMVTHRFTME-NWDGAFQWSA-N 0 0 292.339 1.973 20 5 CDBDRN CCCCOc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000066351236 374315659 /nfs/dbraw/zinc/31/56/59/374315659.db2.gz XFOZWSWEEHZPDB-UHFFFAOYSA-N 0 0 274.298 1.421 20 5 CDBDRN CC(C)(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000130139219 374381002 /nfs/dbraw/zinc/38/10/02/374381002.db2.gz WQPNITWPVFGGOZ-JTQLQIEISA-N 0 0 294.311 1.616 20 5 CDBDRN CCNC(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000079159983 374390158 /nfs/dbraw/zinc/39/01/58/374390158.db2.gz MXIGUWNEZHNWCI-UHFFFAOYSA-N 0 0 289.238 1.744 20 5 CDBDRN CN(C[C@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000299117942 374416458 /nfs/dbraw/zinc/41/64/58/374416458.db2.gz KNEVKZFYGJMQJV-SECBINFHSA-N 0 0 268.269 1.829 20 5 CDBDRN CC(=O)CSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000081272888 374498055 /nfs/dbraw/zinc/49/80/55/374498055.db2.gz PGYXQRQBAQSGEM-UHFFFAOYSA-N 0 0 294.332 1.806 20 5 CDBDRN O=C([C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000376435091 374556386 /nfs/dbraw/zinc/55/63/86/374556386.db2.gz MXZSHBIQJVHKEU-LLVKDONJSA-N 0 0 290.323 1.439 20 5 CDBDRN O=C(NCCO)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084756 374577405 /nfs/dbraw/zinc/57/74/05/374577405.db2.gz XFDJRDDZDMDXSG-UHFFFAOYSA-N 0 0 293.304 1.440 20 5 CDBDRN C[C@@H]1COCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000378260038 374637518 /nfs/dbraw/zinc/63/75/18/374637518.db2.gz FOTDPAATLCCSRO-NSHDSACASA-N 0 0 278.308 1.632 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[S@](=O)[C@H](C)C2)c1 ZINC000447070254 374695575 /nfs/dbraw/zinc/69/55/75/374695575.db2.gz WBWGSMABHKLFFJ-MGNBDDOMSA-N 0 0 268.338 1.860 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[C@H](O)C1 ZINC000351951900 374699803 /nfs/dbraw/zinc/69/98/03/374699803.db2.gz PDMGDDAVOUZDDQ-GZMMTYOYSA-N 0 0 295.295 1.448 20 5 CDBDRN C[C@]1(O)CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000274969404 374686670 /nfs/dbraw/zinc/68/66/70/374686670.db2.gz SQDNVEHFTYQWFT-AWEZNQCLSA-N 0 0 293.323 1.304 20 5 CDBDRN C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274975968 374687794 /nfs/dbraw/zinc/68/77/94/374687794.db2.gz OMBZDQBTIBEXFN-BDAKNGLRSA-N 0 0 279.296 1.956 20 5 CDBDRN Cc1cc(C(=O)NC2CN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000275254429 374693435 /nfs/dbraw/zinc/69/34/35/374693435.db2.gz QHNCBJOFEBWMRK-UHFFFAOYSA-N 0 0 277.324 1.726 20 5 CDBDRN Cc1n[nH]c(C(=O)NCC(F)(F)C(F)F)c1[N+](=O)[O-] ZINC000276828302 374751584 /nfs/dbraw/zinc/75/15/84/374751584.db2.gz KGYUECFGHWNUKI-UHFFFAOYSA-N 0 0 284.169 1.257 20 5 CDBDRN COCC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000447884240 374717742 /nfs/dbraw/zinc/71/77/42/374717742.db2.gz ZJENSEFCQIZQRJ-UHFFFAOYSA-N 0 0 278.308 1.632 20 5 CDBDRN COCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000093137869 374732162 /nfs/dbraw/zinc/73/21/62/374732162.db2.gz QUYWZSNOCDDLQN-LLVKDONJSA-N 0 0 295.339 1.225 20 5 CDBDRN CSC[C@@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000124593991 374825307 /nfs/dbraw/zinc/82/53/07/374825307.db2.gz NOQVBYSXNNHZSD-SNVBAGLBSA-N 0 0 299.352 1.830 20 5 CDBDRN COc1cc(N2CC[C@H](C)[S@](=O)CC2)ccc1[N+](=O)[O-] ZINC000276977240 374765121 /nfs/dbraw/zinc/76/51/21/374765121.db2.gz FDTRYWLHKNFRFE-WVDJIFEKSA-N 0 0 298.364 1.951 20 5 CDBDRN CC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)NC ZINC000457019272 252464228 /nfs/dbraw/zinc/46/42/28/252464228.db2.gz STCWEQFEPXOUNJ-LLVKDONJSA-N 0 0 279.296 1.158 20 5 CDBDRN CC[C@H]1OCCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000277098493 374772265 /nfs/dbraw/zinc/77/22/65/374772265.db2.gz WHXBVJWODLWPCC-NWDGAFQWSA-N 0 0 296.327 1.113 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NN1CCCCC1=O ZINC000277237533 374778618 /nfs/dbraw/zinc/77/86/18/374778618.db2.gz YEUGDZKDUDYUGN-UHFFFAOYSA-N 0 0 293.279 1.261 20 5 CDBDRN CS(=O)(=O)[C@H]1CCCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000278123438 374831231 /nfs/dbraw/zinc/83/12/31/374831231.db2.gz YNNLSOBSXVXYHV-ZDUSSCGKSA-N 0 0 298.364 1.998 20 5 CDBDRN COc1ccc(NC(=O)[C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331088523 374886232 /nfs/dbraw/zinc/88/62/32/374886232.db2.gz FRYTURSRIDITHC-IUCAKERBSA-N 0 0 280.280 1.967 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@](C)(O)C1 ZINC000331100180 374888082 /nfs/dbraw/zinc/88/80/82/374888082.db2.gz BCYNREWDEJEEHD-CQSZACIVSA-N 0 0 293.323 1.298 20 5 CDBDRN COCCOC(=O)CSc1ccc([N+](=O)[O-])c(C)n1 ZINC000278290566 374837003 /nfs/dbraw/zinc/83/70/03/374837003.db2.gz CNTKZRPBUYLSCY-UHFFFAOYSA-N 0 0 286.309 1.580 20 5 CDBDRN CCn1cnnc1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278310652 374839429 /nfs/dbraw/zinc/83/94/29/374839429.db2.gz HEXZPCXQPKDDLL-UHFFFAOYSA-N 0 0 288.311 1.786 20 5 CDBDRN CO[C@@H](C(=O)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000279530714 374920450 /nfs/dbraw/zinc/92/04/50/374920450.db2.gz ULFIWJVSCXYZMJ-LLVKDONJSA-N 0 0 251.238 1.925 20 5 CDBDRN CC[C@@H](C)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279570450 374925840 /nfs/dbraw/zinc/92/58/40/374925840.db2.gz YNOGWVIGTIXIIV-JMCQJSRRSA-N 0 0 299.302 1.453 20 5 CDBDRN CC(C)(CN1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000331360809 374939737 /nfs/dbraw/zinc/93/97/37/374939737.db2.gz YGSHFXWCWDBYID-UHFFFAOYSA-N 0 0 297.311 1.028 20 5 CDBDRN CC(C)(O)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000279647936 374941614 /nfs/dbraw/zinc/94/16/14/374941614.db2.gz XEYIVFFMEGTTJZ-UHFFFAOYSA-N 0 0 266.297 1.415 20 5 CDBDRN CC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000125887755 374971279 /nfs/dbraw/zinc/97/12/79/374971279.db2.gz RUETZFVPWPKWLH-MRVPVSSYSA-N 0 0 256.233 1.235 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1CCO ZINC000037895714 374963451 /nfs/dbraw/zinc/96/34/51/374963451.db2.gz WWACAHMYYRETJJ-SECBINFHSA-N 0 0 267.285 1.300 20 5 CDBDRN Cc1c(CC(=O)NC[C@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000331233038 374911510 /nfs/dbraw/zinc/91/15/10/374911510.db2.gz FONFLOXWNFTJBL-HNNXBMFYSA-N 0 0 292.335 1.989 20 5 CDBDRN Cc1n[nH]c(C(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000279990335 374977594 /nfs/dbraw/zinc/97/75/94/374977594.db2.gz LVNPMIUQCASHPP-XVKPBYJWSA-N 0 0 294.311 1.266 20 5 CDBDRN Cc1cc(=O)n(CC(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000279975217 374978365 /nfs/dbraw/zinc/97/83/65/374978365.db2.gz PLCWVHQPRNCISB-UHFFFAOYSA-N 0 0 250.254 1.434 20 5 CDBDRN Cn1ccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000347254109 374988024 /nfs/dbraw/zinc/98/80/24/374988024.db2.gz DQYPGJIZBIRONK-UHFFFAOYSA-N 0 0 293.258 1.789 20 5 CDBDRN Cc1cn(C[C@@H](O)COCc2cccs2)nc1[N+](=O)[O-] ZINC000280338933 374992160 /nfs/dbraw/zinc/99/21/60/374992160.db2.gz GRQBZGMZKLUWSJ-SNVBAGLBSA-N 0 0 297.336 1.739 20 5 CDBDRN O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000280348031 374992532 /nfs/dbraw/zinc/99/25/32/374992532.db2.gz WUFCDNKQBBCTEN-UHFFFAOYSA-N 0 0 291.307 1.292 20 5 CDBDRN CCC(C)(C)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000280527037 374999907 /nfs/dbraw/zinc/99/99/07/374999907.db2.gz JJVKDARIAQEYBZ-UHFFFAOYSA-N 0 0 267.285 1.956 20 5 CDBDRN CCCc1nnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000044670479 375010734 /nfs/dbraw/zinc/01/07/34/375010734.db2.gz RUCGLCSUPYIBTL-UHFFFAOYSA-N 0 0 296.312 1.234 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H](C)OC ZINC000280738811 375018576 /nfs/dbraw/zinc/01/85/76/375018576.db2.gz ODVJMRLBXMQVIY-QMMMGPOBSA-N 0 0 256.306 1.957 20 5 CDBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCF ZINC000280751069 375020150 /nfs/dbraw/zinc/02/01/50/375020150.db2.gz MHWYLQBVFXOFFT-UHFFFAOYSA-N 0 0 276.289 1.026 20 5 CDBDRN COC1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000332428380 375030662 /nfs/dbraw/zinc/03/06/62/375030662.db2.gz GEZASEIRWMNCKH-QMMMGPOBSA-N 0 0 282.271 1.695 20 5 CDBDRN CCc1nnc([C@H](C)n2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000332630523 375039171 /nfs/dbraw/zinc/03/91/71/375039171.db2.gz IBAYZIADMXGPCK-QMMMGPOBSA-N 0 0 265.273 1.963 20 5 CDBDRN CO[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000279885513 374972087 /nfs/dbraw/zinc/97/20/87/374972087.db2.gz CRKOWSWKIYHYHR-LLVKDONJSA-N 0 0 265.269 1.662 20 5 CDBDRN CO[C@@H](C)c1noc(Cn2cc(C)c([N+](=O)[O-])n2)n1 ZINC000282333893 375080351 /nfs/dbraw/zinc/08/03/51/375080351.db2.gz VLVRXAXTNIAJCG-ZETCQYMHSA-N 0 0 267.245 1.238 20 5 CDBDRN Cc1cc(F)c(NC(=O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000282441208 375086137 /nfs/dbraw/zinc/08/61/37/375086137.db2.gz NDDVIMZYXJNNOH-UHFFFAOYSA-N 0 0 295.270 1.603 20 5 CDBDRN CC[C@H](O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000126013596 375090761 /nfs/dbraw/zinc/09/07/61/375090761.db2.gz JGKQQCITCCVTJF-JTQLQIEISA-N 0 0 256.233 1.235 20 5 CDBDRN CCN(CCOCCO)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000282580480 375095569 /nfs/dbraw/zinc/09/55/69/375095569.db2.gz SMRLVTQOZBNUSX-UHFFFAOYSA-N 0 0 282.296 1.066 20 5 CDBDRN O=C(NCCOC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000282840415 375102382 /nfs/dbraw/zinc/10/23/82/375102382.db2.gz FGWWXCIWGLYCLE-UHFFFAOYSA-N 0 0 296.254 1.417 20 5 CDBDRN O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCCS1(=O)=O ZINC000156777918 375107365 /nfs/dbraw/zinc/10/73/65/375107365.db2.gz HOXCELKTAHUJRQ-MRVPVSSYSA-N 0 0 288.300 1.723 20 5 CDBDRN CC(C)(O)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332677119 375043355 /nfs/dbraw/zinc/04/33/55/375043355.db2.gz DFZMXSULIALQCF-UHFFFAOYSA-N 0 0 279.296 1.036 20 5 CDBDRN C[C@@H]1[C@H](C)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C ZINC000332675617 375043410 /nfs/dbraw/zinc/04/34/10/375043410.db2.gz IZICLYIFAHPKOG-HLTSFMKQSA-N 0 0 266.301 1.445 20 5 CDBDRN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](CO)C1 ZINC000332735344 375046875 /nfs/dbraw/zinc/04/68/75/375046875.db2.gz XVZOGGGFVIGPOR-SSDOTTSWSA-N 0 0 256.283 1.111 20 5 CDBDRN CCN(CCOCCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000283009812 375108811 /nfs/dbraw/zinc/10/88/11/375108811.db2.gz ZMTPMNDLTGDZIY-UHFFFAOYSA-N 0 0 297.311 1.458 20 5 CDBDRN CNc1ccc(C(=O)N[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000125669756 375050396 /nfs/dbraw/zinc/05/03/96/375050396.db2.gz DXGQBVGWAPLGNR-ZDUSSCGKSA-N 0 0 279.296 1.545 20 5 CDBDRN CC(C)(NC(=O)C1=COCCO1)c1ccccc1[N+](=O)[O-] ZINC000293848826 375131842 /nfs/dbraw/zinc/13/18/42/375131842.db2.gz CMKHDDOIJMGRBC-UHFFFAOYSA-N 0 0 292.291 1.834 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2CCCC[C@H]2C1 ZINC000299316654 375162330 /nfs/dbraw/zinc/16/23/30/375162330.db2.gz FAELQXYCZKMIKL-JTQLQIEISA-N 0 0 278.312 1.233 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN(C)C(=O)C1 ZINC000425267618 246745196 /nfs/dbraw/zinc/74/51/96/246745196.db2.gz MERFOCYRTYKKIE-JTQLQIEISA-N 0 0 278.312 1.000 20 5 CDBDRN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C ZINC000131408551 375255883 /nfs/dbraw/zinc/25/58/83/375255883.db2.gz UDIHFVYKLKBUSY-QWRGUYRKSA-N 0 0 293.323 1.261 20 5 CDBDRN Cc1coc(Sc2ncc([N+](=O)[O-])c(N)n2)n1 ZINC000302737955 375244960 /nfs/dbraw/zinc/24/49/60/375244960.db2.gz XSOBKKXKHFCFOD-UHFFFAOYSA-N 0 0 253.243 1.415 20 5 CDBDRN CN(Cc1ccccc1)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000047169973 375186005 /nfs/dbraw/zinc/18/60/05/375186005.db2.gz JHACHSLJPNMSSK-UHFFFAOYSA-N 0 0 274.280 1.450 20 5 CDBDRN CCOCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000293858775 375190203 /nfs/dbraw/zinc/19/02/03/375190203.db2.gz JITCFPNICWOTGM-UHFFFAOYSA-N 0 0 256.258 1.733 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](O)C3(CC3)C2)n1 ZINC000489905945 375193955 /nfs/dbraw/zinc/19/39/55/375193955.db2.gz HDMTWTWEANUSIU-JTQLQIEISA-N 0 0 263.297 1.568 20 5 CDBDRN CCc1ccc(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000161887734 375205892 /nfs/dbraw/zinc/20/58/92/375205892.db2.gz CNEDLIXLVRWMNA-UHFFFAOYSA-N 0 0 288.307 1.853 20 5 CDBDRN COCCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000350617665 375219682 /nfs/dbraw/zinc/21/96/82/375219682.db2.gz GZVHJTZHUBPOFU-LBPRGKRZSA-N 0 0 297.330 1.544 20 5 CDBDRN CCOCC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000293869237 375284976 /nfs/dbraw/zinc/28/49/76/375284976.db2.gz KBIIHWIXHLFMEZ-UHFFFAOYSA-N 0 0 284.316 1.031 20 5 CDBDRN CC(=O)c1ccc(N[C@@H](C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000351753345 375327400 /nfs/dbraw/zinc/32/74/00/375327400.db2.gz FEMPNVGRCBSIHF-ZETCQYMHSA-N 0 0 265.269 1.473 20 5 CDBDRN CNc1ccc(C(=O)NCCOC(C)C)cc1[N+](=O)[O-] ZINC000131741429 375332951 /nfs/dbraw/zinc/33/29/51/375332951.db2.gz UHLHDDLTTKMUPW-UHFFFAOYSA-N 0 0 281.312 1.791 20 5 CDBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000025673335 375336855 /nfs/dbraw/zinc/33/68/55/375336855.db2.gz CKTPJKZZQIRRFR-UHFFFAOYSA-N 0 0 294.267 1.441 20 5 CDBDRN CCc1cnccc1CNc1c([N+](=O)[O-])ncn1C ZINC000351901115 375339665 /nfs/dbraw/zinc/33/96/65/375339665.db2.gz WFJFMQAXINIOGL-UHFFFAOYSA-N 0 0 261.285 1.898 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCSC1 ZINC000162397556 375344573 /nfs/dbraw/zinc/34/45/73/375344573.db2.gz RXOIXWJYMONFKV-SECBINFHSA-N 0 0 281.337 1.876 20 5 CDBDRN CCCNC(=O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000057156167 375402896 /nfs/dbraw/zinc/40/28/96/375402896.db2.gz UUILSNXBSWCFCH-UHFFFAOYSA-N 0 0 255.249 1.672 20 5 CDBDRN C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000057282277 375409155 /nfs/dbraw/zinc/40/91/55/375409155.db2.gz PHXYOBZDWCCNCF-MRVPVSSYSA-N 0 0 288.263 1.581 20 5 CDBDRN CC(=O)CNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000344770197 375431959 /nfs/dbraw/zinc/43/19/59/375431959.db2.gz MSBMNCXYPRDBGN-SNVBAGLBSA-N 0 0 280.280 1.376 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCCCOCCO)c1 ZINC000227313932 375499664 /nfs/dbraw/zinc/49/96/64/375499664.db2.gz TUUYKUUKEJEWFW-UHFFFAOYSA-N 0 0 270.285 1.414 20 5 CDBDRN Cc1csc(CNC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000029886117 375514146 /nfs/dbraw/zinc/51/41/46/375514146.db2.gz YFMJLWLUELBCBR-UHFFFAOYSA-N 0 0 280.309 1.628 20 5 CDBDRN O=C(NCCOC(F)(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000352859863 375546371 /nfs/dbraw/zinc/54/63/71/375546371.db2.gz USKQRUHTFLMTJC-UHFFFAOYSA-N 0 0 267.163 1.189 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1(CO)CC1 ZINC000353164047 375582428 /nfs/dbraw/zinc/58/24/28/375582428.db2.gz FVQPQPDMOPKMMD-UHFFFAOYSA-N 0 0 293.323 1.298 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CC(C)(C)C ZINC000227641245 375583928 /nfs/dbraw/zinc/58/39/28/375583928.db2.gz KPLUKSOFHUOWEI-SNVBAGLBSA-N 0 0 283.328 1.460 20 5 CDBDRN CC(C)(CNc1ncc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000227649631 375584283 /nfs/dbraw/zinc/58/42/83/375584283.db2.gz JOAXNUQYULOGBP-UHFFFAOYSA-N 0 0 272.692 1.567 20 5 CDBDRN Cc1cc(N(C)C[C@H](C)c2nn[nH]n2)ncc1[N+](=O)[O-] ZINC000132898120 375630000 /nfs/dbraw/zinc/63/00/00/375630000.db2.gz FQBJZCACUNOMKN-QMMMGPOBSA-N 0 0 277.288 1.051 20 5 CDBDRN CN1CCOC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000344874933 375626462 /nfs/dbraw/zinc/62/64/62/375626462.db2.gz LCFZIGWWOCSCHR-LLVKDONJSA-N 0 0 290.279 1.648 20 5 CDBDRN COCCOCCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000132848143 375611515 /nfs/dbraw/zinc/61/15/15/375611515.db2.gz KBMDQFPHMHKVEX-UHFFFAOYSA-N 0 0 296.323 1.768 20 5 CDBDRN CC[C@H](CO)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000294036758 375646346 /nfs/dbraw/zinc/64/63/46/375646346.db2.gz IJSATAOMEWTAFW-SSDOTTSWSA-N 0 0 259.693 1.850 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CO)OC[C@H]2C)c1 ZINC000129461215 375657573 /nfs/dbraw/zinc/65/75/73/375657573.db2.gz CUGHIQQRXHAMND-GHMZBOCLSA-N 0 0 294.307 1.125 20 5 CDBDRN Cc1nccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000344923105 375658228 /nfs/dbraw/zinc/65/82/28/375658228.db2.gz HKQOQKMCHQEQGC-UHFFFAOYSA-N 0 0 272.264 1.874 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(C)c1C ZINC000427099297 247094813 /nfs/dbraw/zinc/09/48/13/247094813.db2.gz HDFTXNBXVFVUIN-UHFFFAOYSA-N 0 0 290.279 1.898 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1CO ZINC000305707116 375643634 /nfs/dbraw/zinc/64/36/34/375643634.db2.gz QXUDJAIDXVATNG-GWCFXTLKSA-N 0 0 293.323 1.579 20 5 CDBDRN CC(C)[C@H](O)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294032405 375643716 /nfs/dbraw/zinc/64/37/16/375643716.db2.gz ICCOWKQHPJYJFU-LBPRGKRZSA-N 0 0 280.324 1.963 20 5 CDBDRN CC(CO)(CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227891367 375644463 /nfs/dbraw/zinc/64/44/63/375644463.db2.gz AJGMWDBDXXYHJT-UHFFFAOYSA-N 0 0 262.212 1.028 20 5 CDBDRN Nc1ncncc1CNc1ccc([N+](=O)[O-])cc1F ZINC000427421393 247139542 /nfs/dbraw/zinc/13/95/42/247139542.db2.gz PSKCQCXZEJJPFH-UHFFFAOYSA-N 0 0 263.232 1.549 20 5 CDBDRN Cc1ccc(C(=O)N[C@@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000266777358 375669971 /nfs/dbraw/zinc/66/99/71/375669971.db2.gz UIYSKENPRAIEFQ-WVDJIFEKSA-N 0 0 298.364 1.790 20 5 CDBDRN C/C=C\C[C@H](CO)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000354214775 375685705 /nfs/dbraw/zinc/68/57/05/375685705.db2.gz DEQLVXBIQGXURU-MXQLGCADSA-N 0 0 282.271 1.791 20 5 CDBDRN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C[NH+](C)C ZINC000294156928 375720098 /nfs/dbraw/zinc/72/00/98/375720098.db2.gz LTPIOMNDZMXJRL-VIFPVBQESA-N 0 0 281.312 1.228 20 5 CDBDRN C[C@H]1[C@@H](CO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000427819106 247194995 /nfs/dbraw/zinc/19/49/95/247194995.db2.gz ANDDYASLOMIACP-GXSJLCMTSA-N 0 0 296.298 1.506 20 5 CDBDRN C[C@H](CNC(=O)OC(C)(C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000495984188 375699276 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CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1O ZINC000341786094 130047380 /nfs/dbraw/zinc/04/73/80/130047380.db2.gz BUPNXAUWBFSXHK-QWHCGFSZSA-N 0 0 294.307 1.345 20 5 CDBDRN Cc1c(CC(=O)N(C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000341827263 130061018 /nfs/dbraw/zinc/06/10/18/130061018.db2.gz RHJYYWHFRLZZJE-ZIAGYGMSSA-N 0 0 292.335 1.818 20 5 CDBDRN COC[C@H](C)CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190170122 130068272 /nfs/dbraw/zinc/06/82/72/130068272.db2.gz BUYGYNNFZOTGST-MRVPVSSYSA-N 0 0 283.284 1.471 20 5 CDBDRN O=C(N[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000341856020 130075439 /nfs/dbraw/zinc/07/54/39/130075439.db2.gz WNSVETNYCZCQBN-GFCCVEGCSA-N 0 0 289.291 1.776 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000341977351 130164417 /nfs/dbraw/zinc/16/44/17/130164417.db2.gz YXGPDHVZJRBFEM-HTQZYQBOSA-N 0 0 267.285 1.066 20 5 CDBDRN CO[C@H](C)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000191214936 130203414 /nfs/dbraw/zinc/20/34/14/130203414.db2.gz 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130298878 /nfs/dbraw/zinc/29/88/78/130298878.db2.gz QXNFXDALFICAHY-ZETCQYMHSA-N 0 0 269.257 1.106 20 5 CDBDRN C[C@H](NC(=O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000191778059 130301382 /nfs/dbraw/zinc/30/13/82/130301382.db2.gz LVXFLHUXWLCLNL-QMMMGPOBSA-N 0 0 252.270 1.543 20 5 CDBDRN Cc1cccc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000191875706 130323314 /nfs/dbraw/zinc/32/33/14/130323314.db2.gz ZUBTXCPPYAEXNT-MNOVXSKESA-N 0 0 278.308 1.604 20 5 CDBDRN C[C@@H]1CCNC(=O)[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000441384839 391793576 /nfs/dbraw/zinc/79/35/76/391793576.db2.gz QXKASIYAIHWGKL-PELKAZGASA-N 0 0 297.742 1.862 20 5 CDBDRN Cn1cnnc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000163036121 391901193 /nfs/dbraw/zinc/90/11/93/391901193.db2.gz IAMRAZBULZWATP-UHFFFAOYSA-N 0 0 265.204 1.115 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H]1C ZINC000193585288 391901557 /nfs/dbraw/zinc/90/15/57/391901557.db2.gz BGQQQDMNLVHIKX-GZMMTYOYSA-N 0 0 264.281 1.876 20 5 CDBDRN Cc1ccnc(N2CC[C@@H](OC(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000496492761 391923405 /nfs/dbraw/zinc/92/34/05/391923405.db2.gz RGZRGZQSVJEBJK-SNVBAGLBSA-N 0 0 294.311 1.575 20 5 CDBDRN CN1CC2(CN(Cc3cccc([N+](=O)[O-])c3)C2)OC1=O ZINC000496956559 391930444 /nfs/dbraw/zinc/93/04/44/391930444.db2.gz OOMFXZFLWCYYTK-UHFFFAOYSA-N 0 0 277.280 1.231 20 5 CDBDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000358030939 391941449 /nfs/dbraw/zinc/94/14/49/391941449.db2.gz FZZZXLRECYXXDJ-JGVFFNPUSA-N 0 0 252.274 1.199 20 5 CDBDRN COCCOCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000133950541 392011509 /nfs/dbraw/zinc/01/15/09/392011509.db2.gz LDSNHFYKIRNTQR-UHFFFAOYSA-N 0 0 269.301 1.845 20 5 CDBDRN NC(=O)c1cc([N+](=O)[O-])cn([C@@H]2C=CCCC2)c1=O ZINC000171270325 391949522 /nfs/dbraw/zinc/94/95/22/391949522.db2.gz KZVPPBMCQRQSQB-MRVPVSSYSA-N 0 0 263.253 1.137 20 5 CDBDRN CC[C@@]1(C)CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000122802663 392200938 /nfs/dbraw/zinc/20/09/38/392200938.db2.gz KRDKHKSHIGXMEJ-LBPRGKRZSA-N 0 0 266.301 1.970 20 5 CDBDRN Cc1cc(C(=O)NC2(CO)CCOCC2)cc([N+](=O)[O-])c1 ZINC000230909178 130909088 /nfs/dbraw/zinc/90/90/88/130909088.db2.gz JEEUQEHKZICDJC-UHFFFAOYSA-N 0 0 294.307 1.175 20 5 CDBDRN CO[C@@H](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263895213 131355280 /nfs/dbraw/zinc/35/52/80/131355280.db2.gz OYPOVPUTLGGUIU-JTQLQIEISA-N 0 0 282.296 1.515 20 5 CDBDRN CO[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000263941270 131365805 /nfs/dbraw/zinc/36/58/05/131365805.db2.gz XZIGVXZGSIFITM-MRVPVSSYSA-N 0 0 297.267 1.658 20 5 CDBDRN Cc1ccncc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264238613 131418259 /nfs/dbraw/zinc/41/82/59/131418259.db2.gz MVALLOWGCRCQJU-UHFFFAOYSA-N 0 0 275.268 1.524 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)N1CCOCC1 ZINC000264487241 131460657 /nfs/dbraw/zinc/46/06/57/131460657.db2.gz RQHSBCJAJPWFEL-NSHDSACASA-N 0 0 280.328 1.431 20 5 CDBDRN Cc1cncc(Cn2ccc(C)c([N+](=O)[O-])c2=O)c1 ZINC000442912195 392506937 /nfs/dbraw/zinc/50/69/37/392506937.db2.gz IXKXYGRODWFIHQ-UHFFFAOYSA-N 0 0 259.265 1.817 20 5 CDBDRN CNC(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595376174 392561102 /nfs/dbraw/zinc/56/11/02/392561102.db2.gz DFKJUQNVKIUMAA-UHFFFAOYSA-N 0 0 296.302 1.191 20 5 CDBDRN C[C@@H]1CCSCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549359673 392573043 /nfs/dbraw/zinc/57/30/43/392573043.db2.gz GFTSYGWFKDAGMY-SSDOTTSWSA-N 0 0 270.314 1.286 20 5 CDBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2CCC[C@H]21 ZINC000488498052 392693990 /nfs/dbraw/zinc/69/39/90/392693990.db2.gz LRFDBVCUOZLORY-CMPLNLGQSA-N 0 0 293.327 1.375 20 5 CDBDRN CC(C)(CCO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000161500719 392725165 /nfs/dbraw/zinc/72/51/65/392725165.db2.gz ZWLFMNPPSDLPOJ-UHFFFAOYSA-N 0 0 252.270 1.486 20 5 CDBDRN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000266938473 131800412 /nfs/dbraw/zinc/80/04/12/131800412.db2.gz VSQKPLGDBQUMKM-SECBINFHSA-N 0 0 266.301 1.438 20 5 CDBDRN CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000267036398 131812350 /nfs/dbraw/zinc/81/23/50/131812350.db2.gz NULGAPRDNBCFBZ-UHFFFAOYSA-N 0 0 267.260 1.008 20 5 CDBDRN O=C1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000267687059 131902860 /nfs/dbraw/zinc/90/28/60/131902860.db2.gz QDDGVGAGAMARRX-QMMMGPOBSA-N 0 0 279.271 1.909 20 5 CDBDRN CC[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000419861747 392897741 /nfs/dbraw/zinc/89/77/41/392897741.db2.gz PTLCVOSCRRYHJD-MWLCHTKSSA-N 0 0 296.323 1.627 20 5 CDBDRN COc1cccc(C(=O)N[C@@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000194831077 392937070 /nfs/dbraw/zinc/93/70/70/392937070.db2.gz JNHZZLLGHLROGT-SNVBAGLBSA-N 0 0 294.307 1.902 20 5 CDBDRN Cn1cncc1CN1CCc2cc([N+](=O)[O-])ccc21 ZINC000268495204 132016892 /nfs/dbraw/zinc/01/68/92/132016892.db2.gz WEPZAZDNXHKMNZ-UHFFFAOYSA-N 0 0 258.281 1.891 20 5 CDBDRN COCCC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000268605672 132034004 /nfs/dbraw/zinc/03/40/04/132034004.db2.gz YOCNTFPDGZHYJM-UHFFFAOYSA-N 0 0 281.312 1.860 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC(N)=O ZINC000421429244 392934548 /nfs/dbraw/zinc/93/45/48/392934548.db2.gz MXWJTYIDOGZOSE-UHFFFAOYSA-N 0 0 279.296 1.207 20 5 CDBDRN CC[C@@H](O)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268685939 132048660 /nfs/dbraw/zinc/04/86/60/132048660.db2.gz MMRZZVZLRRLHTM-SECBINFHSA-N 0 0 267.285 1.068 20 5 CDBDRN C[C@H](CO)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000268813508 132070090 /nfs/dbraw/zinc/07/00/90/132070090.db2.gz ILGVJYIBWYTURZ-VIFPVBQESA-N 0 0 293.323 1.527 20 5 CDBDRN CC(C)(CO)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268846421 132076213 /nfs/dbraw/zinc/07/62/13/132076213.db2.gz NCJHEXZMTFPPHI-UHFFFAOYSA-N 0 0 295.339 1.706 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@@H]1C(N)=O ZINC000421683753 392942180 /nfs/dbraw/zinc/94/21/80/392942180.db2.gz USZVGEQTBPRSDL-NWDGAFQWSA-N 0 0 291.307 1.287 20 5 CDBDRN CS(=O)(=O)CCSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269348969 132158437 /nfs/dbraw/zinc/15/84/37/132158437.db2.gz FKINWOKICYTAHD-UHFFFAOYSA-N 0 0 296.757 1.780 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](CC)O1 ZINC000421943295 392947599 /nfs/dbraw/zinc/94/75/99/392947599.db2.gz CXHVMYBKSBHULV-GHMZBOCLSA-N 0 0 295.339 1.963 20 5 CDBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C)C(=O)C1 ZINC000527054950 392973964 /nfs/dbraw/zinc/97/39/64/392973964.db2.gz BAOQQJSUYKBGIO-XYOKQWHBSA-N 0 0 289.335 1.772 20 5 CDBDRN COC(=O)C1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000425134150 392989493 /nfs/dbraw/zinc/98/94/93/392989493.db2.gz TWAHQOKBWHLRQA-UHFFFAOYSA-N 0 0 292.291 1.538 20 5 CDBDRN CCn1cc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000527148240 392975059 /nfs/dbraw/zinc/97/50/59/392975059.db2.gz YVMFZRMJCUICLX-UHFFFAOYSA-N 0 0 274.280 1.992 20 5 CDBDRN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489334082 393044995 /nfs/dbraw/zinc/04/49/95/393044995.db2.gz NOESISLZIQVABA-MRVPVSSYSA-N 0 0 252.274 1.199 20 5 CDBDRN CCOC(=O)[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131489948 393046172 /nfs/dbraw/zinc/04/61/72/393046172.db2.gz MMEPGUDZBHEGEP-JTQLQIEISA-N 0 0 278.308 1.905 20 5 CDBDRN COC(C)(C)CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000532084144 393066224 /nfs/dbraw/zinc/06/62/24/393066224.db2.gz DVNPKNAMLOLZSC-UHFFFAOYSA-N 0 0 296.323 1.857 20 5 CDBDRN CC(C)N1CCN(c2ncc([N+](=O)[O-])s2)CC1=O ZINC000281743764 393158709 /nfs/dbraw/zinc/15/87/09/393158709.db2.gz BLQWFRNGSATXLD-UHFFFAOYSA-N 0 0 270.314 1.108 20 5 CDBDRN COC(=O)C1(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000281933085 393163850 /nfs/dbraw/zinc/16/38/50/393163850.db2.gz OWYODOKUBIXVGK-UHFFFAOYSA-N 0 0 257.271 1.416 20 5 CDBDRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]1O ZINC000493705336 393218729 /nfs/dbraw/zinc/21/87/29/393218729.db2.gz JQISMKJNZJYWAI-KSOFABFVSA-N 0 0 262.265 1.248 20 5 CDBDRN CCCn1nccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193177984 393251029 /nfs/dbraw/zinc/25/10/29/393251029.db2.gz XNJHNNHSGHSYIY-UHFFFAOYSA-N 0 0 278.272 1.037 20 5 CDBDRN COC[C@@H]1CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493589802 393215336 /nfs/dbraw/zinc/21/53/36/393215336.db2.gz OGVOHJSKPAVGLM-GFUIURDCSA-N 0 0 276.292 1.855 20 5 CDBDRN Cc1c(OCC(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000047355618 139612212 /nfs/dbraw/zinc/61/22/12/139612212.db2.gz BFBSKJBLHFUEFF-UHFFFAOYSA-N 0 0 292.213 1.961 20 5 CDBDRN CCOC(=O)NCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000496941773 393418494 /nfs/dbraw/zinc/41/84/94/393418494.db2.gz UHCJZFXFCIZNGE-UHFFFAOYSA-N 0 0 282.252 1.384 20 5 CDBDRN COC(=O)C1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000081275419 134498288 /nfs/dbraw/zinc/49/82/88/134498288.db2.gz GNWGHWZNNQZRIJ-UHFFFAOYSA-N 0 0 279.296 1.688 20 5 CDBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](O)C1 ZINC000061707357 296497226 /nfs/dbraw/zinc/49/72/26/296497226.db2.gz YZTBSWGWEYTYOX-SECBINFHSA-N 0 0 259.265 1.714 20 5 CDBDRN COC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000275766619 135111939 /nfs/dbraw/zinc/11/19/39/135111939.db2.gz ACAMEXUMEWEKDQ-MWLCHTKSSA-N 0 0 267.285 1.230 20 5 CDBDRN COc1cc(NCC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000134777653 139881691 /nfs/dbraw/zinc/88/16/91/139881691.db2.gz FRJNAPPWLSZFPU-UHFFFAOYSA-N 0 0 279.296 1.638 20 5 CDBDRN Cc1cnc(OCC(=O)NCC(C)C)c([N+](=O)[O-])c1 ZINC000178279702 140002117 /nfs/dbraw/zinc/00/21/17/140002117.db2.gz QXFHFBIWWKBKSJ-UHFFFAOYSA-N 0 0 267.285 1.449 20 5 CDBDRN O=[N+]([O-])c1ccn(CCSc2nc3cncnc3[nH]2)n1 ZINC000186740087 140067053 /nfs/dbraw/zinc/06/70/53/140067053.db2.gz CVMYDBRTFYQUOT-UHFFFAOYSA-N 0 0 291.296 1.250 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(NCCc2nnc[nH]2)c(F)c1 ZINC000227891575 140188031 /nfs/dbraw/zinc/18/80/31/140188031.db2.gz OANQKLXAMDQMKE-UHFFFAOYSA-N 0 0 269.211 1.646 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](C)O ZINC000228194088 140191659 /nfs/dbraw/zinc/19/16/59/140191659.db2.gz QUVOWSVQOGHRMR-UWVGGRQHSA-N 0 0 266.297 1.792 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@@H](C)O ZINC000228657228 140196040 /nfs/dbraw/zinc/19/60/40/140196040.db2.gz RJFAOVBAIPUFEG-SNVBAGLBSA-N 0 0 266.297 1.794 20 5 CDBDRN CC(C)NC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000229192958 140200553 /nfs/dbraw/zinc/20/05/53/140200553.db2.gz DXSCJNRJUHXKJT-MRVPVSSYSA-N 0 0 252.274 1.315 20 5 CDBDRN C[C@@H](CO)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000230271185 140210097 /nfs/dbraw/zinc/21/00/97/140210097.db2.gz SAGWDTYQKNLYGO-SECBINFHSA-N 0 0 284.287 1.872 20 5 CDBDRN Cn1c(C(=O)N2CCC[C@@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000230366684 140212215 /nfs/dbraw/zinc/21/22/15/140212215.db2.gz LYBNOCRWCPXONV-CYBMUJFWSA-N 0 0 281.312 1.310 20 5 CDBDRN NCC(F)(F)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000236187833 140239233 /nfs/dbraw/zinc/23/92/33/140239233.db2.gz WPRXVRFGWRJROE-UHFFFAOYSA-N 0 0 266.635 1.649 20 5 CDBDRN Cc1c(CN2CCOC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000248619058 140292608 /nfs/dbraw/zinc/29/26/08/140292608.db2.gz KHNBMJSZZPCQAL-FZMZJTMJSA-N 0 0 294.351 1.875 20 5 CDBDRN Cn1c(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342527284 140640513 /nfs/dbraw/zinc/64/05/13/140640513.db2.gz YXRDZUGWAFKJGM-ZYHUDNBSSA-N 0 0 293.323 1.717 20 5 CDBDRN CC(C)(C)n1ncnc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296127567 397613736 /nfs/dbraw/zinc/61/37/36/397613736.db2.gz SDSFABCELZAUFC-UHFFFAOYSA-N 0 0 283.332 1.807 20 5 CDBDRN CON(CC(C)(C)C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000286108988 397757867 /nfs/dbraw/zinc/75/78/67/397757867.db2.gz DLLQBWTXTCGFQY-UHFFFAOYSA-N 0 0 298.343 1.926 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(C)n1 ZINC000103254388 147168074 /nfs/dbraw/zinc/16/80/74/147168074.db2.gz MGXAMPDWIIPAKF-UHFFFAOYSA-N 0 0 277.240 1.282 20 5 CDBDRN Cc1ccc(NC(=O)COC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000117578423 147283050 /nfs/dbraw/zinc/28/30/50/147283050.db2.gz LQIXNXMCLSKFPH-NSHDSACASA-N 0 0 294.307 1.895 20 5 CDBDRN O=[N+]([O-])c1ccn(CCN2CCOC3(CCCCC3)C2)n1 ZINC000176266952 148032823 /nfs/dbraw/zinc/03/28/23/148032823.db2.gz DVOUMYOMZXHPRJ-UHFFFAOYSA-N 0 0 294.355 1.826 20 5 CDBDRN CC[C@H](C)[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000194176494 148648709 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O=[N+]([O-])c1c(NCC2CCC2)cccc1-c1nn[nH]n1 ZINC001593466024 1174078572 /nfs/dbraw/zinc/07/85/72/1174078572.db2.gz UOKBYOAZBIFEMD-UHFFFAOYSA-N 0 0 274.284 1.987 20 5 CDBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CCC[C@@H]2C[C@@H]21 ZINC001593482284 1174085058 /nfs/dbraw/zinc/08/50/58/1174085058.db2.gz XPNHQYBJYPYNQB-KCJUWKMLSA-N 0 0 286.295 1.764 20 5 CDBDRN O=C([O-])[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001602218298 1175172311 /nfs/dbraw/zinc/17/23/11/1175172311.db2.gz FNOSUWHGNUQOHF-UMNHJUIQSA-N 0 0 280.280 1.081 20 5 CDBDRN CC(=O)c1cc(O[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000311945476 1186693154 /nfs/dbraw/zinc/69/31/54/1186693154.db2.gz GYVZYGNKIMYQIS-LLVKDONJSA-N 0 0 264.281 1.880 20 5 CDBDRN Nc1c([N+](=O)[O-])cnn1Cc1ncccc1C(F)(F)F ZINC000431853912 1186775007 /nfs/dbraw/zinc/77/50/07/1186775007.db2.gz ASIYFIXZMPYFAJ-UHFFFAOYSA-N 0 0 287.201 1.836 20 5 CDBDRN CCOC(=O)[C@H](F)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000814374674 1164078867 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CC[C@@]1(O)CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000866065661 758885306 /nfs/dbraw/zinc/88/53/06/758885306.db2.gz HXQDRQMEZDQOMM-CQSZACIVSA-N 0 0 290.323 1.984 20 5 CDBDRN O=C(COC1CC1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000887877941 758898498 /nfs/dbraw/zinc/89/84/98/758898498.db2.gz WMWPIXLRGJSTPU-UHFFFAOYSA-N 0 0 272.207 1.991 20 5 CDBDRN Cc1ccc(CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 ZINC000842371251 758923471 /nfs/dbraw/zinc/92/34/71/758923471.db2.gz CXMCYXPLHOGRTE-GHMZBOCLSA-N 0 0 250.254 1.141 20 5 CDBDRN CS[C@H](CO)[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882004739 758924399 /nfs/dbraw/zinc/92/43/99/758924399.db2.gz PKFDNOARGBFFGP-HTRCEHHLSA-N 0 0 275.305 1.653 20 5 CDBDRN CC1(O)CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000703551366 758924581 /nfs/dbraw/zinc/92/45/81/758924581.db2.gz AHAFAQNUVGVSKG-UHFFFAOYSA-N 0 0 268.269 1.611 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])[C@H](c1ccccc1)n1cccn1 ZINC000860915147 758933750 /nfs/dbraw/zinc/93/37/50/758933750.db2.gz BWIJOEIWKMPFFX-ZDUSSCGKSA-N 0 0 289.291 1.683 20 5 CDBDRN Cc1nc2cc(C(=O)OC[C@@H](C)[N+](=O)[O-])ccc2o1 ZINC000813113356 758959419 /nfs/dbraw/zinc/95/94/19/758959419.db2.gz ZHHAVVULDAXGDH-SSDOTTSWSA-N 0 0 264.237 1.958 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OCCC1CCC1 ZINC000783446932 758990365 /nfs/dbraw/zinc/99/03/65/758990365.db2.gz YMKRPSWONGISFS-UHFFFAOYSA-N 0 0 253.258 1.525 20 5 CDBDRN COc1ccc(C(=O)OCCn2ccc([N+](=O)[O-])n2)o1 ZINC000848851223 758992794 /nfs/dbraw/zinc/99/27/94/758992794.db2.gz FMOVDFYGVOIQDF-UHFFFAOYSA-N 0 0 281.224 1.250 20 5 CDBDRN CO[C@@H](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823933478 759001183 /nfs/dbraw/zinc/00/11/83/759001183.db2.gz QYSKNLFNVIYANW-QMMMGPOBSA-N 0 0 282.300 1.724 20 5 CDBDRN CC[C@H](C)N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825553959 759022895 /nfs/dbraw/zinc/02/28/95/759022895.db2.gz GIXUVPNNCKHLEB-CABZTGNLSA-N 0 0 266.297 1.885 20 5 CDBDRN CCS[C@H]1CCCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839680409 770782710 /nfs/dbraw/zinc/78/27/10/770782710.db2.gz PKUCJFDKEXRKFH-HBNTYKKESA-N 0 0 272.370 1.786 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@]1(C)C[C@@H]1F ZINC000822092297 770864144 /nfs/dbraw/zinc/86/41/44/770864144.db2.gz VXDFLUKEXQRVOM-GXSJLCMTSA-N 0 0 256.233 1.838 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CCO1 ZINC000030855258 1165716133 /nfs/dbraw/zinc/71/61/33/1165716133.db2.gz SVKGQQHRLQYIFX-LLVKDONJSA-N 0 0 293.323 1.888 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(F)(F)C(F)F ZINC000781669639 771059670 /nfs/dbraw/zinc/05/96/70/771059670.db2.gz PIVZNWLSFXGKTC-UHFFFAOYSA-N 0 0 297.164 1.629 20 5 CDBDRN Cc1ccc(C(=O)O[C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000835610463 768842356 /nfs/dbraw/zinc/84/23/56/768842356.db2.gz DSGHSVVWMFBECG-SECBINFHSA-N 0 0 290.279 1.950 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000814037325 768864699 /nfs/dbraw/zinc/86/46/99/768864699.db2.gz WBGJIOPPPJEERO-SECBINFHSA-N 0 0 275.264 1.899 20 5 CDBDRN CC(=O)c1ccc(N2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])c1 ZINC000882934803 768895883 /nfs/dbraw/zinc/89/58/83/768895883.db2.gz TYXUEOCFUDHTQY-ZWNOBZJWSA-N 0 0 262.265 1.368 20 5 CDBDRN Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)NC3CC3)n2)n1C ZINC000843221302 768897495 /nfs/dbraw/zinc/89/74/95/768897495.db2.gz HDRCHQIBWWGFIB-LURJTMIESA-N 0 0 292.299 1.500 20 5 CDBDRN CCOc1nc2cc(C(=O)O[C@@H](C)C[N+](=O)[O-])ccc2[nH]1 ZINC000838973242 768913458 /nfs/dbraw/zinc/91/34/58/768913458.db2.gz WCLPNERIEXAJIL-QMMMGPOBSA-N 0 0 293.279 1.784 20 5 CDBDRN C/C=C/COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102509416 768930277 /nfs/dbraw/zinc/93/02/77/768930277.db2.gz IBZOLRWSLRCORI-SNAWJCMRSA-N 0 0 253.258 1.646 20 5 CDBDRN COC[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000882106696 768937705 /nfs/dbraw/zinc/93/77/05/768937705.db2.gz GPVACJQVEINPPW-PHIMTYICSA-N 0 0 294.307 1.515 20 5 CDBDRN Cn1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000808661061 769004368 /nfs/dbraw/zinc/00/43/68/769004368.db2.gz VNAGGYJYHJWLCP-UHFFFAOYSA-N 0 0 296.670 1.734 20 5 CDBDRN C[C@@H](C1CCOCC1)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863343913 769029875 /nfs/dbraw/zinc/02/98/75/769029875.db2.gz UDEJAHCUPWASAA-ZETCQYMHSA-N 0 0 270.245 1.687 20 5 CDBDRN COC(=O)[C@@H]1C[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000884800075 769069676 /nfs/dbraw/zinc/06/96/76/769069676.db2.gz OPBUOJWNKSAKQK-RKDXNWHRSA-N 0 0 265.269 1.519 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC1CC1)CC1CCC1 ZINC000840442591 769070492 /nfs/dbraw/zinc/07/04/92/769070492.db2.gz OBQXXIMPSPAXIH-VXGBXAGGSA-N 0 0 252.314 1.690 20 5 CDBDRN CC(C)n1ncnc1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000789686067 769075177 /nfs/dbraw/zinc/07/51/77/769075177.db2.gz XTKNXTZEPQSXKQ-UHFFFAOYSA-N 0 0 280.240 1.717 20 5 CDBDRN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1COCCO1 ZINC000852495609 769086238 /nfs/dbraw/zinc/08/62/38/769086238.db2.gz LKHHZEVDVACNOI-NSHDSACASA-N 0 0 284.287 1.581 20 5 CDBDRN COCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000077387550 769174585 /nfs/dbraw/zinc/17/45/85/769174585.db2.gz WJQXPYBHGUJHJE-UHFFFAOYSA-N 0 0 295.700 1.603 20 5 CDBDRN C[C@@H]1C(=O)N(C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801546866 769195448 /nfs/dbraw/zinc/19/54/48/769195448.db2.gz SLDNDPXBTJAYRC-SECBINFHSA-N 0 0 281.287 1.396 20 5 CDBDRN COc1cc(C(=O)NCc2ccon2)cc([N+](=O)[O-])c1C ZINC000790715240 769257739 /nfs/dbraw/zinc/25/77/39/769257739.db2.gz MSHFLFOXEQIENF-UHFFFAOYSA-N 0 0 291.263 1.830 20 5 CDBDRN C[C@@H](CF)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000885410171 769307700 /nfs/dbraw/zinc/30/77/00/769307700.db2.gz DOMUFBOXUPEHMW-VIFPVBQESA-N 0 0 290.316 1.415 20 5 CDBDRN COC[C@@H]1COCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000933335520 769321406 /nfs/dbraw/zinc/32/14/06/769321406.db2.gz ZPLYNJKMUWLGKN-GFCCVEGCSA-N 0 0 296.323 1.321 20 5 CDBDRN Cc1cnn([C@H]2CCN(Cn3nccc3[N+](=O)[O-])C2)c1 ZINC000811798115 769325401 /nfs/dbraw/zinc/32/54/01/769325401.db2.gz HALBLLAASSAXMZ-NSHDSACASA-N 0 0 276.300 1.201 20 5 CDBDRN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cn[nH]c1 ZINC000778833845 769350759 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O=[N+]([O-])c1ncccc1CN1CCO[C@H](C2CCC2)C1 ZINC000886244995 769810690 /nfs/dbraw/zinc/81/06/90/769810690.db2.gz HDGAGWHRVBFTFU-ZDUSSCGKSA-N 0 0 277.324 1.991 20 5 CDBDRN Cc1ccnc([C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000823706366 769829894 /nfs/dbraw/zinc/82/98/94/769829894.db2.gz XDTRJBFRAQVRQP-JTQLQIEISA-N 0 0 280.328 1.798 20 5 CDBDRN Nc1ccc(NCCc2cnccn2)c([N+](=O)[O-])c1 ZINC000804594266 769830877 /nfs/dbraw/zinc/83/08/77/769830877.db2.gz SOPWGYLVPMPLBE-UHFFFAOYSA-N 0 0 259.269 1.622 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCCn1cncn1 ZINC000830365724 769836704 /nfs/dbraw/zinc/83/67/04/769836704.db2.gz LYYXWWGXLVYIPS-UHFFFAOYSA-N 0 0 294.242 1.491 20 5 CDBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](CO)C1 ZINC000804319448 769857078 /nfs/dbraw/zinc/85/70/78/769857078.db2.gz CAJVEHAOKOQSPZ-VIFPVBQESA-N 0 0 281.268 1.712 20 5 CDBDRN CCN1CC[C@H](OC(=O)c2csc([N+](=O)[O-])c2)C1=O ZINC000849699155 769861985 /nfs/dbraw/zinc/86/19/85/769861985.db2.gz BTXKAJJSTIWTLP-QMMMGPOBSA-N 0 0 284.293 1.434 20 5 CDBDRN CC1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC(F)(F)C1 ZINC000881522596 769867176 /nfs/dbraw/zinc/86/71/76/769867176.db2.gz YTPWDHJCTPVVAE-UHFFFAOYSA-N 0 0 288.254 1.343 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCCNC(=O)C(C)(C)C ZINC000797978079 769873867 /nfs/dbraw/zinc/87/38/67/769873867.db2.gz LVCUGTKATDXYNV-UHFFFAOYSA-N 0 0 297.311 1.252 20 5 CDBDRN CC[C@@H](O)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855744533 769882509 /nfs/dbraw/zinc/88/25/09/769882509.db2.gz MPFPMBUJHLZRTI-SSDOTTSWSA-N 0 0 296.308 1.100 20 5 CDBDRN NC(=O)[C@@H]1CC[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000829501850 769888768 /nfs/dbraw/zinc/88/87/68/769888768.db2.gz ZHYFZLRCSWSLJI-APPZFPTMSA-N 0 0 264.285 1.243 20 5 CDBDRN CCOCCONC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860936340 769889156 /nfs/dbraw/zinc/88/91/56/769889156.db2.gz RTJMZPRKDGOSGO-UHFFFAOYSA-N 0 0 288.687 1.946 20 5 CDBDRN Cc1nc(COC(=O)c2c(C)cccc2[N+](=O)[O-])no1 ZINC000194942532 769891423 /nfs/dbraw/zinc/89/14/23/769891423.db2.gz PNTCJGSCDWTZFO-UHFFFAOYSA-N 0 0 277.236 1.952 20 5 CDBDRN C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2NC1=O ZINC000839475668 769897131 /nfs/dbraw/zinc/89/71/31/769897131.db2.gz DBEDQLASWGZZKK-SKWCMTHISA-N 0 0 291.263 1.010 20 5 CDBDRN CC(C)c1[nH]ccc1C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000845482874 769898179 /nfs/dbraw/zinc/89/81/79/769898179.db2.gz JRPZYRXQSOEKHT-UHFFFAOYSA-N 0 0 293.283 1.495 20 5 CDBDRN CCO[C@H]1C[C@@H]1C(=O)OCCn1c(C)ncc1[N+](=O)[O-] ZINC000079332061 769930202 /nfs/dbraw/zinc/93/02/02/769930202.db2.gz ULQRAWZJQHJUNO-UWVGGRQHSA-N 0 0 283.284 1.068 20 5 CDBDRN C[C@H]1CN(C)C(=O)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000782594470 769977434 /nfs/dbraw/zinc/97/74/34/769977434.db2.gz YVADVVAOXODFKE-VIFPVBQESA-N 0 0 281.287 1.396 20 5 CDBDRN O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cccnc2)c1 ZINC000135601011 770043561 /nfs/dbraw/zinc/04/35/61/770043561.db2.gz OIKWECFQZGLXCI-UHFFFAOYSA-N 0 0 298.251 1.897 20 5 CDBDRN CN1C(=O)C2(CCOCC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000887335770 770062580 /nfs/dbraw/zinc/06/25/80/770062580.db2.gz NBPKGZNRDWPGDU-LBPRGKRZSA-N 0 0 291.307 1.204 20 5 CDBDRN Cn1cnc2cc(C(=O)OCC(C)(C)[N+](=O)[O-])ccc21 ZINC000851127677 770140728 /nfs/dbraw/zinc/14/07/28/770140728.db2.gz RQOCBBGTOJBOMI-UHFFFAOYSA-N 0 0 277.280 1.785 20 5 CDBDRN CC[C@@H](C)[C@@H](COC(=O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000835630883 770142209 /nfs/dbraw/zinc/14/22/09/770142209.db2.gz DELHDYVWKPYNAI-MWLCHTKSSA-N 0 0 285.300 1.396 20 5 CDBDRN C[C@](O)(CNc1ccnc(F)c1[N+](=O)[O-])C1CC1 ZINC000881976346 770211193 /nfs/dbraw/zinc/21/11/93/770211193.db2.gz ZKOBUMQIGDODHI-NSHDSACASA-N 0 0 255.249 1.702 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OC[C@@H](C)O ZINC000873438379 770371383 /nfs/dbraw/zinc/37/13/83/770371383.db2.gz KNOYHAZLEBBLNC-MRVPVSSYSA-N 0 0 253.254 1.749 20 5 CDBDRN O=C(NC[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000863180908 770385221 /nfs/dbraw/zinc/38/52/21/770385221.db2.gz UFPPOYAKKSLCLA-DGFRNANFSA-N 0 0 295.251 1.004 20 5 CDBDRN O=C(OCc1csc(C2CC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672718 770412819 /nfs/dbraw/zinc/41/28/19/770412819.db2.gz FCCGNVQQMQPBCF-RKDXNWHRSA-N 0 0 268.294 1.729 20 5 CDBDRN Cc1nccc([C@H]2CCCN(CC[N+](=O)[O-])C2)n1 ZINC000929297131 770439139 /nfs/dbraw/zinc/43/91/39/770439139.db2.gz UTIMWMSAPVLRJU-NSHDSACASA-N 0 0 250.302 1.241 20 5 CDBDRN Cc1ccc(CCOC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000117536727 770454887 /nfs/dbraw/zinc/45/48/87/770454887.db2.gz VMNOFKCXQKWTEA-UHFFFAOYSA-N 0 0 289.291 1.886 20 5 CDBDRN Cc1ncc(COC(=O)c2cccc([N+](=O)[O-])c2N)cn1 ZINC000803390517 770465145 /nfs/dbraw/zinc/46/51/45/770465145.db2.gz AJPABLXXTPKJNA-UHFFFAOYSA-N 0 0 288.263 1.632 20 5 CDBDRN O=[N+]([O-])c1ncccc1CN1CC[C@H](O)CC12CCC2 ZINC000886251531 770546016 /nfs/dbraw/zinc/54/60/16/770546016.db2.gz FQXYCSRVAMTTSL-LBPRGKRZSA-N 0 0 277.324 1.869 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CCc2ccccc2C1 ZINC000891389118 770550030 /nfs/dbraw/zinc/55/00/30/770550030.db2.gz CANWBDIKYRHESW-UHFFFAOYSA-N 0 0 258.281 1.891 20 5 CDBDRN O=C(NCCOc1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839713218 770565478 /nfs/dbraw/zinc/56/54/78/770565478.db2.gz OYZOFRMQZMUXGQ-PSASIEDQSA-N 0 0 284.699 1.500 20 5 CDBDRN CCCCCN(CC(N)=O)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828080757 770636713 /nfs/dbraw/zinc/63/67/13/770636713.db2.gz JEQDBZKVMHKURA-UHFFFAOYSA-N 0 0 287.360 1.326 20 5 CDBDRN O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCOCN1 ZINC000830232591 770672024 /nfs/dbraw/zinc/67/20/24/770672024.db2.gz TYSFIVWDDMXBOT-RYUDHWBXSA-N 0 0 277.280 1.019 20 5 CDBDRN COC[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)C(C)C ZINC000885818081 770696067 /nfs/dbraw/zinc/69/60/67/770696067.db2.gz QYOAZKGGAYCFHA-NSHDSACASA-N 0 0 295.339 1.947 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cnnn2C)c1 ZINC000809134079 770762541 /nfs/dbraw/zinc/76/25/41/770762541.db2.gz VKBSLBDERDHTRK-UHFFFAOYSA-N 0 0 276.252 1.389 20 5 CDBDRN CC(C)(CCC(=O)OCc1ccnc(N)c1)[N+](=O)[O-] ZINC000837925507 770779318 /nfs/dbraw/zinc/77/93/18/770779318.db2.gz ONDBRSRJPPCVPU-UHFFFAOYSA-N 0 0 267.285 1.543 20 5 CDBDRN CCn1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)nn1 ZINC000850522304 770781474 /nfs/dbraw/zinc/78/14/74/770781474.db2.gz NEAOKDVXYBZPMM-VIFPVBQESA-N 0 0 290.327 1.639 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccon1 ZINC000778145329 770802140 /nfs/dbraw/zinc/80/21/40/770802140.db2.gz SZUHNBMMNDZHMM-UHFFFAOYSA-N 0 0 263.209 1.522 20 5 CDBDRN O=C(/C=C\c1ccco1)OCCn1cc([N+](=O)[O-])cn1 ZINC000255471334 770806620 /nfs/dbraw/zinc/80/66/20/770806620.db2.gz CRJYPAFZWFLYBN-ARJAWSKDSA-N 0 0 277.236 1.641 20 5 CDBDRN O=[N+]([O-])c1ccc(Cl)cc1N1C[C@@H]2C[C@]2(O)C1 ZINC000882933519 770822836 /nfs/dbraw/zinc/82/28/36/770822836.db2.gz HYMVRKSILPCWQH-CPCISQLKSA-N 0 0 254.673 1.819 20 5 CDBDRN Cc1ccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000177740053 770832098 /nfs/dbraw/zinc/83/20/98/770832098.db2.gz PGTXDISRSQSIBD-UHFFFAOYSA-N 0 0 275.264 1.957 20 5 CDBDRN CC[C@H](CO)N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000828372640 770834185 /nfs/dbraw/zinc/83/41/85/770834185.db2.gz KHXHVTWWBLWMTF-SECBINFHSA-N 0 0 264.285 1.450 20 5 CDBDRN O=C1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CO1 ZINC000820581386 770837057 /nfs/dbraw/zinc/83/70/57/770837057.db2.gz SJJPDECONVBECM-QMMMGPOBSA-N 0 0 291.263 1.207 20 5 CDBDRN COc1ccc(C(=O)OCCC[N+](=O)[O-])c(F)c1 ZINC000860911894 770848244 /nfs/dbraw/zinc/84/82/44/770848244.db2.gz CDWZGQPXJIKYFA-UHFFFAOYSA-N 0 0 257.217 1.658 20 5 CDBDRN C[C@@H](COC(=O)c1ccn(-c2ccccc2F)n1)[N+](=O)[O-] ZINC000813111373 770851784 /nfs/dbraw/zinc/85/17/84/770851784.db2.gz SFLMSWCCTWAOEF-VIFPVBQESA-N 0 0 293.254 1.833 20 5 CDBDRN CNC(=O)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331196 770856291 /nfs/dbraw/zinc/85/62/91/770856291.db2.gz QBCNBELZSGMCKC-UHFFFAOYSA-N 0 0 286.675 1.116 20 5 CDBDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855212298 770856938 /nfs/dbraw/zinc/85/69/38/770856938.db2.gz ZTGRRFFIRZGGAZ-YNEHKIRRSA-N 0 0 280.299 1.928 20 5 CDBDRN C[C@@H](CNC(=O)C(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000887403202 770862702 /nfs/dbraw/zinc/86/27/02/770862702.db2.gz RFZDHENHIZQESX-VIFPVBQESA-N 0 0 266.297 1.585 20 5 CDBDRN Cc1cccc(C(=O)O[C@@H]2CC(=O)N(C)[C@H]2C)c1[N+](=O)[O-] ZINC000806069935 770884183 /nfs/dbraw/zinc/88/41/83/770884183.db2.gz FIRKXDNGZNLUIM-GXSJLCMTSA-N 0 0 292.291 1.679 20 5 CDBDRN Cc1c(CNC(=O)N[C@@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000922168843 770908141 /nfs/dbraw/zinc/90/81/41/770908141.db2.gz ZFFPOCWXRWSHQC-BXKDBHETSA-N 0 0 293.323 1.737 20 5 CDBDRN CCc1[nH]nc(C(=O)OCCCC(C)=O)c1[N+](=O)[O-] ZINC000795611575 770960604 /nfs/dbraw/zinc/96/06/04/770960604.db2.gz IZZWERAEARDMNR-UHFFFAOYSA-N 0 0 269.257 1.406 20 5 CDBDRN C[C@@H](CO[C@@H]1CCOC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826782909 771008838 /nfs/dbraw/zinc/00/88/38/771008838.db2.gz OENFKRPHPVGLQJ-WDEREUQCSA-N 0 0 288.344 1.132 20 5 CDBDRN Cc1c(CNC(=O)[C@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000791021899 771013733 /nfs/dbraw/zinc/01/37/33/771013733.db2.gz SJVGZDVTROQDMD-LBPRGKRZSA-N 0 0 280.324 1.926 20 5 CDBDRN C[C@@H]1CN(CCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000837925260 771016184 /nfs/dbraw/zinc/01/61/84/771016184.db2.gz MUDSPNWKZSYJRF-LLVKDONJSA-N 0 0 288.344 1.086 20 5 CDBDRN COc1cc(O)cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840420164 771026764 /nfs/dbraw/zinc/02/67/64/771026764.db2.gz QWJIQXFATMZKDO-NXEZZACHSA-N 0 0 252.226 1.005 20 5 CDBDRN COCCCCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000803422694 771038451 /nfs/dbraw/zinc/03/84/51/771038451.db2.gz PGVZJAPLHAGVIQ-UHFFFAOYSA-N 0 0 268.269 1.760 20 5 CDBDRN CCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)OCC ZINC000862417154 771086564 /nfs/dbraw/zinc/08/65/64/771086564.db2.gz CIRMHQFTPYOTJV-JTQLQIEISA-N 0 0 296.327 1.507 20 5 CDBDRN Nc1ccc(C(=O)O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000105780781 771098373 /nfs/dbraw/zinc/09/83/73/771098373.db2.gz CEPLPRFEHYTHOR-MRVPVSSYSA-N 0 0 252.226 1.123 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CF)C2)n1 ZINC000882802643 771117794 /nfs/dbraw/zinc/11/77/94/771117794.db2.gz KTVGHCHMJVMYEY-VIFPVBQESA-N 0 0 297.286 1.962 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)n1cncn1 ZINC000079209360 771130526 /nfs/dbraw/zinc/13/05/26/771130526.db2.gz CSRJVMKQWWDCRN-VIFPVBQESA-N 0 0 276.252 1.661 20 5 CDBDRN CNc1c(C(=O)N2CC(=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000885084279 771217028 /nfs/dbraw/zinc/21/70/28/771217028.db2.gz JCYITLLGCZCVTP-VIFPVBQESA-N 0 0 291.307 1.830 20 5 CDBDRN CSCCONC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819278086 771231093 /nfs/dbraw/zinc/23/10/93/771231093.db2.gz LGCOMIBRQKYEKJ-LLVKDONJSA-N 0 0 272.326 1.512 20 5 CDBDRN C[C@H](COC(=O)c1ncc2n1CCCC2)[N+](=O)[O-] ZINC000870376194 771234713 /nfs/dbraw/zinc/23/47/13/771234713.db2.gz CVGDTDVZDZGRTF-MRVPVSSYSA-N 0 0 253.258 1.041 20 5 CDBDRN CN(Cc1nnnn1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000707122256 771269875 /nfs/dbraw/zinc/26/98/75/771269875.db2.gz MCNSBKXNZXWPTN-UHFFFAOYSA-N 0 0 296.718 1.404 20 5 CDBDRN COCC(COC)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000158570421 771280787 /nfs/dbraw/zinc/28/07/87/771280787.db2.gz MGECSJUVDPYSFA-VMPITWQZSA-N 0 0 295.291 1.813 20 5 CDBDRN C[C@H]1COCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865639558 771343004 /nfs/dbraw/zinc/34/30/04/771343004.db2.gz QRYWQXDAKMXHLP-SECBINFHSA-N 0 0 284.287 1.699 20 5 CDBDRN CCn1nc(C)c(CNc2ccc([N+](=O)[O-])c(C)n2)n1 ZINC000819938732 771355063 /nfs/dbraw/zinc/35/50/63/771355063.db2.gz NVJOOQOQRHUBIM-UHFFFAOYSA-N 0 0 276.300 1.830 20 5 CDBDRN O=[N+]([O-])c1c(NC[C@@H]2CCCO2)nc2ccccn21 ZINC000070789362 771381101 /nfs/dbraw/zinc/38/11/01/771381101.db2.gz BDWWPUFANOGQBL-VIFPVBQESA-N 0 0 262.269 1.833 20 5 CDBDRN COc1c(C(=O)N[C@@]2(C)CCOC2=O)cccc1[N+](=O)[O-] ZINC000813295580 771428681 /nfs/dbraw/zinc/42/86/81/771428681.db2.gz YKGFXJIJKLFUIZ-ZDUSSCGKSA-N 0 0 294.263 1.039 20 5 CDBDRN C[C@H]1COCC[C@H]1OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000835784665 771431950 /nfs/dbraw/zinc/43/19/50/771431950.db2.gz RUNHHPKAUGLCFB-GZMMTYOYSA-N 0 0 268.269 1.515 20 5 CDBDRN 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252.245 1.897 20 5 CDBDRN COCc1nc(COc2cc([N+](=O)[O-])ccc2OC)no1 ZINC000182625641 140022414 /nfs/dbraw/zinc/02/24/14/140022414.db2.gz SIAKXYVBECRVMI-UHFFFAOYSA-N 0 0 295.251 1.712 20 5 CDBDRN COCc1nc(COc2ccc([N+](=O)[O-])cc2F)no1 ZINC000182703417 140023982 /nfs/dbraw/zinc/02/39/82/140023982.db2.gz KTUCARAFEQYUIK-UHFFFAOYSA-N 0 0 283.215 1.842 20 5 CDBDRN CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183703586 140030539 /nfs/dbraw/zinc/03/05/39/140030539.db2.gz HNLAKWMVSHLPDC-JTQLQIEISA-N 0 0 294.311 1.213 20 5 CDBDRN O=[N+]([O-])c1ncn(CCCO[C@H]2CCCCO2)n1 ZINC000185079594 140035515 /nfs/dbraw/zinc/03/55/15/140035515.db2.gz KCSXCJYYOLRVGK-VIFPVBQESA-N 0 0 256.262 1.120 20 5 CDBDRN CCN(CCO)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188042262 140087980 /nfs/dbraw/zinc/08/79/80/140087980.db2.gz NPCBEHLEZIBYKB-UHFFFAOYSA-N 0 0 284.337 1.771 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@H]2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC000188287769 140091093 /nfs/dbraw/zinc/09/10/93/140091093.db2.gz SARBGIOZNWQZSG-IUCAKERBSA-N 0 0 296.327 1.568 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000188985913 140106081 /nfs/dbraw/zinc/10/60/81/140106081.db2.gz JXVUKXKBNZTOHO-GXFFZTMASA-N 0 0 293.323 1.579 20 5 CDBDRN CCNC(=O)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191328965 140135666 /nfs/dbraw/zinc/13/56/66/140135666.db2.gz GBRYMZAOWHBUTJ-UHFFFAOYSA-N 0 0 294.311 1.469 20 5 CDBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cn[nH]c1 ZINC000194330642 140149368 /nfs/dbraw/zinc/14/93/68/140149368.db2.gz MPKOCQYGVHELJM-UHFFFAOYSA-N 0 0 276.252 1.726 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000228174895 140192144 /nfs/dbraw/zinc/19/21/44/140192144.db2.gz OTHMITPPGDDIMY-NXEZZACHSA-N 0 0 266.297 1.413 20 5 CDBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000230009562 140205595 /nfs/dbraw/zinc/20/55/95/140205595.db2.gz HIABRKVZNNJEQZ-MFKMUULPSA-N 0 0 266.297 1.176 20 5 CDBDRN CO[C@H]1CC[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000231685601 140218055 /nfs/dbraw/zinc/21/80/55/140218055.db2.gz UIKCLODSQRENON-BDAKNGLRSA-N 0 0 254.290 1.616 20 5 CDBDRN CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000299687255 397601588 /nfs/dbraw/zinc/60/15/88/397601588.db2.gz SVDVBDVRROJSAX-GFCCVEGCSA-N 0 0 291.307 1.254 20 5 CDBDRN CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000223660721 397670971 /nfs/dbraw/zinc/67/09/71/397670971.db2.gz RVCWVGXFJDPGCM-UHFFFAOYSA-N 0 0 267.260 1.846 20 5 CDBDRN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000092978569 147030402 /nfs/dbraw/zinc/03/04/02/147030402.db2.gz MKHHJMOBFZWGHK-CABZTGNLSA-N 0 0 279.296 1.829 20 5 CDBDRN COC(=O)[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000093082069 147034029 /nfs/dbraw/zinc/03/40/29/147034029.db2.gz GJTHSZVROJSYNH-ZDUSSCGKSA-N 0 0 294.307 1.277 20 5 CDBDRN O=[N+]([O-])c1cccc(Cl)c1CSC[C@H](O)CO ZINC000093959118 147073701 /nfs/dbraw/zinc/07/37/01/147073701.db2.gz RUACCTYOFIIYAT-SSDOTTSWSA-N 0 0 277.729 1.835 20 5 CDBDRN COc1cc(C(=O)N2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000096561112 147115606 /nfs/dbraw/zinc/11/56/06/147115606.db2.gz SVETWHHSZLITQR-UHFFFAOYSA-N 0 0 280.280 1.200 20 5 CDBDRN Cc1nn(C)c(C(=O)N(C)Cc2ccoc2C)c1[N+](=O)[O-] ZINC000098102450 147131426 /nfs/dbraw/zinc/13/14/26/147131426.db2.gz QINZXTCCNHRMAG-UHFFFAOYSA-N 0 0 292.295 1.810 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCCC[S@@](C)=O ZINC000116872392 147277630 /nfs/dbraw/zinc/27/76/30/147277630.db2.gz CDZIFPLLZHNMNG-KRWDZBQOSA-N 0 0 257.315 1.479 20 5 CDBDRN O=C(COC[C@@H]1CCOC1)NCc1ccccc1[N+](=O)[O-] ZINC000117614562 147284270 /nfs/dbraw/zinc/28/42/70/147284270.db2.gz AVLWIWAYOICFIS-LLVKDONJSA-N 0 0 294.307 1.264 20 5 CDBDRN COc1c(C(=O)N(C)Cc2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000121969677 147389211 /nfs/dbraw/zinc/38/92/11/147389211.db2.gz PIVSZXNJSGPAIY-UHFFFAOYSA-N 0 0 290.279 1.599 20 5 CDBDRN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000352407667 155167386 /nfs/dbraw/zinc/16/73/86/155167386.db2.gz RMRIBRCTWLNLTA-IUCAKERBSA-N 0 0 286.278 1.933 20 5 CDBDRN Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000176315971 148036163 /nfs/dbraw/zinc/03/61/63/148036163.db2.gz NEJVLOOUPOQQGD-UHFFFAOYSA-N 0 0 290.279 1.654 20 5 CDBDRN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000180581278 148156496 /nfs/dbraw/zinc/15/64/96/148156496.db2.gz DDBOWONJPFJNGW-RKDXNWHRSA-N 0 0 279.296 1.426 20 5 CDBDRN O=C(NCC1(O)CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183632588 148311878 /nfs/dbraw/zinc/31/18/78/148311878.db2.gz ZPXWEYJKMICHRI-UHFFFAOYSA-N 0 0 294.311 1.807 20 5 CDBDRN Cn1ncnc1COc1c(F)cccc1[N+](=O)[O-] ZINC000185026192 148381619 /nfs/dbraw/zinc/38/16/19/148381619.db2.gz IJJGTTCAJILXKS-UHFFFAOYSA-N 0 0 252.205 1.441 20 5 CDBDRN C[C@@](O)(CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312464408 149233297 /nfs/dbraw/zinc/23/32/97/149233297.db2.gz FUGQLGBADIHCRB-CYBMUJFWSA-N 0 0 279.296 1.877 20 5 CDBDRN COc1c(C(=O)N2CCSCC2)cccc1[N+](=O)[O-] ZINC000331043573 286176491 /nfs/dbraw/zinc/17/64/91/286176491.db2.gz SFOOYNODAWYUGL-UHFFFAOYSA-N 0 0 282.321 1.792 20 5 CDBDRN CC(C)N(C)C(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352571488 155278314 /nfs/dbraw/zinc/27/83/14/155278314.db2.gz VLCCFIMUHXQCAJ-UHFFFAOYSA-N 0 0 293.367 1.936 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCO[C@@H](C)C1 ZINC000277592379 286248933 /nfs/dbraw/zinc/24/89/33/286248933.db2.gz NQCIJINITXJEQJ-JTQLQIEISA-N 0 0 294.307 1.854 20 5 CDBDRN NC(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)co1 ZINC000352615773 155306259 /nfs/dbraw/zinc/30/62/59/155306259.db2.gz JEYAZAWNOIGTDA-UHFFFAOYSA-N 0 0 275.220 1.539 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2OC)n1 ZINC000352623192 155310784 /nfs/dbraw/zinc/31/07/84/155310784.db2.gz KWXGDRWDRZNOBB-GXSJLCMTSA-N 0 0 296.327 1.499 20 5 CDBDRN C[C@H]1CSC[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000342343822 151814648 /nfs/dbraw/zinc/81/46/48/151814648.db2.gz MXFCFRDLWOFQBC-WPRPVWTQSA-N 0 0 298.368 1.394 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CCC[C@@H]2O)n1 ZINC000343271792 152095481 /nfs/dbraw/zinc/09/54/81/152095481.db2.gz CODWQMCUVHOUSZ-MNOVXSKESA-N 0 0 265.313 1.956 20 5 CDBDRN O=C(COC1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000343522429 152209893 /nfs/dbraw/zinc/20/98/93/152209893.db2.gz NFMVIFXZMWFNNU-UHFFFAOYSA-N 0 0 280.280 1.729 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ncc(C)o2)c1 ZINC000343526923 152210764 /nfs/dbraw/zinc/21/07/64/152210764.db2.gz HEVPPANNVPZVSQ-UHFFFAOYSA-N 0 0 291.263 1.830 20 5 CDBDRN CC[C@H](O)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000343547651 152219300 /nfs/dbraw/zinc/21/93/00/152219300.db2.gz DIRPRYKVOWXNBM-QMMMGPOBSA-N 0 0 256.258 1.469 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCc1cnc(C)[nH]c1=O ZINC000343595660 152237562 /nfs/dbraw/zinc/23/75/62/152237562.db2.gz LXGVVOWSPSDSQN-UHFFFAOYSA-N 0 0 275.268 1.136 20 5 CDBDRN COc1nc(C)cc(C)c1Cn1nccc1[N+](=O)[O-] ZINC000343835441 152319773 /nfs/dbraw/zinc/31/97/73/152319773.db2.gz JAQNQOJSFRJUIA-UHFFFAOYSA-N 0 0 262.269 1.860 20 5 CDBDRN CCC[C@](C)(CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000344480810 152543317 /nfs/dbraw/zinc/54/33/17/152543317.db2.gz OWZTUJYPYKLDNZ-CQSZACIVSA-N 0 0 298.314 1.944 20 5 CDBDRN Cn1ccc(=NC(=O)CSc2ccccc2[N+](=O)[O-])[nH]1 ZINC000344569512 152574848 /nfs/dbraw/zinc/57/48/48/152574848.db2.gz YVUZMIFGOMNFJJ-UHFFFAOYSA-N 0 0 292.320 1.481 20 5 CDBDRN Cc1cccc(C)c1-n1nnnc1Cn1nccc1[N+](=O)[O-] ZINC000345285415 152788842 /nfs/dbraw/zinc/78/88/42/152788842.db2.gz NUYCQBWXSXFTBW-UHFFFAOYSA-N 0 0 299.294 1.432 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC1(CO)CCC1 ZINC000345802504 152958089 /nfs/dbraw/zinc/95/80/89/152958089.db2.gz NQPGPHACDONACE-UHFFFAOYSA-N 0 0 296.298 1.555 20 5 CDBDRN CC[S@](=O)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000346220267 153101495 /nfs/dbraw/zinc/10/14/95/153101495.db2.gz IRWNJNFAANSFJF-HOGDKLEQSA-N 0 0 284.337 1.541 20 5 CDBDRN Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000346244721 153110542 /nfs/dbraw/zinc/11/05/42/153110542.db2.gz CAVCGDIKXFJSQC-UHFFFAOYSA-N 0 0 274.280 1.913 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000162626121 292289974 /nfs/dbraw/zinc/28/99/74/292289974.db2.gz BQMQCRYGSCJRHF-VIFPVBQESA-N 0 0 285.325 1.287 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C)C2=O)c1 ZINC000447045406 292290008 /nfs/dbraw/zinc/29/00/08/292290008.db2.gz VXBDWMNMVHLGNW-JTQLQIEISA-N 0 0 263.297 1.936 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)ccc1N(CCO)CCCO ZINC000349251231 154075733 /nfs/dbraw/zinc/07/57/33/154075733.db2.gz IYQUVWUEZSRGJB-UHFFFAOYSA-N 0 0 274.704 1.429 20 5 CDBDRN Cn1cnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000349438336 154114035 /nfs/dbraw/zinc/11/40/35/154114035.db2.gz VOKIBIBIDKVSOL-UHFFFAOYSA-N 0 0 265.204 1.115 20 5 CDBDRN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000350477047 154390606 /nfs/dbraw/zinc/39/06/06/154390606.db2.gz LLMVFIJHFWRAPF-KWQFWETISA-N 0 0 265.269 1.439 20 5 CDBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1CCOCC1CC1 ZINC000351667635 154642240 /nfs/dbraw/zinc/64/22/40/154642240.db2.gz KCRKPNFOTIZMHB-UHFFFAOYSA-N 0 0 272.688 1.837 20 5 CDBDRN Nc1c(C(=O)NCC2(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000352129308 154974715 /nfs/dbraw/zinc/97/47/15/154974715.db2.gz PLKKDVAZKQEGLS-UHFFFAOYSA-N 0 0 285.250 1.952 20 5 CDBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1c[nH]cn1 ZINC000352183599 155003818 /nfs/dbraw/zinc/00/38/18/155003818.db2.gz GBESHKNZUKNAIU-UHFFFAOYSA-N 0 0 250.189 1.709 20 5 CDBDRN CCOc1cc(Cn2nccc2C(N)=O)ccc1[N+](=O)[O-] ZINC000352224104 155036962 /nfs/dbraw/zinc/03/69/62/155036962.db2.gz WEHAQYYAHJSARH-UHFFFAOYSA-N 0 0 290.279 1.337 20 5 CDBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)(C)C ZINC000352269513 155067204 /nfs/dbraw/zinc/06/72/04/155067204.db2.gz QOTXLMMCGRVBJK-MRVPVSSYSA-N 0 0 254.290 1.872 20 5 CDBDRN CCC1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCOCC1 ZINC000353871467 156135961 /nfs/dbraw/zinc/13/59/61/156135961.db2.gz PJXGATXIESPOEQ-UHFFFAOYSA-N 0 0 294.311 1.261 20 5 CDBDRN C/C=C/C[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354239372 156345725 /nfs/dbraw/zinc/34/57/25/156345725.db2.gz 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/nfs/dbraw/zinc/36/36/56/148363656.db2.gz MIDIZGXMQWVTDQ-UHFFFAOYSA-N 0 0 298.262 1.701 20 5 CDBDRN CCC[C@@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])s1 ZINC000190337914 148431893 /nfs/dbraw/zinc/43/18/93/148431893.db2.gz TZVBHRKNOAMZNU-SSDOTTSWSA-N 0 0 270.314 1.156 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000193236469 148615536 /nfs/dbraw/zinc/61/55/36/148615536.db2.gz AETWENYDPKVOOS-LLVKDONJSA-N 0 0 291.307 1.032 20 5 CDBDRN Cn1cnc(CNc2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC000312243127 149229234 /nfs/dbraw/zinc/22/92/34/149229234.db2.gz HGIRGJPAEWUDME-UHFFFAOYSA-N 0 0 291.296 1.340 20 5 CDBDRN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1nc[nH]n1 ZINC000312238314 149229777 /nfs/dbraw/zinc/22/97/77/149229777.db2.gz BFIFWXWGNLMABB-RXMQYKEDSA-N 0 0 291.296 1.891 20 5 CDBDRN CNC(=O)c1ccc(NC[C@](C)(O)C2CC2)c([N+](=O)[O-])c1 ZINC000314645854 149255219 /nfs/dbraw/zinc/25/52/19/149255219.db2.gz VIXZKDKXWVSOQU-AWEZNQCLSA-N 0 0 293.323 1.527 20 5 CDBDRN C[C@@H]1CSC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359657508 288436690 /nfs/dbraw/zinc/43/66/90/288436690.db2.gz KXTBKTYJDNQKHI-HZGVNTEJSA-N 0 0 283.309 1.177 20 5 CDBDRN COc1cc(Cn2nc(C)sc2=O)c([N+](=O)[O-])cc1F ZINC000192460883 286223714 /nfs/dbraw/zinc/22/37/14/286223714.db2.gz HHVBVUPPRCUAFB-UHFFFAOYSA-N 0 0 299.283 1.717 20 5 CDBDRN C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1C ZINC000335992348 151180405 /nfs/dbraw/zinc/18/04/05/151180405.db2.gz QOLVYRGXKNOYLK-RKDXNWHRSA-N 0 0 283.353 1.899 20 5 CDBDRN CO[C@@]1(CNc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000336815164 151721540 /nfs/dbraw/zinc/72/15/40/151721540.db2.gz YXSTZKZBFFKNBD-GFCCVEGCSA-N 0 0 270.260 1.951 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCc2cnccn2)n1 ZINC000340965573 151794810 /nfs/dbraw/zinc/79/48/10/151794810.db2.gz OYPZIJZEWCPPCZ-UHFFFAOYSA-N 0 0 259.269 1.743 20 5 CDBDRN CNC(=O)N[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342891658 151952402 /nfs/dbraw/zinc/95/24/02/151952402.db2.gz MATOKHWFOOACCG-QMMMGPOBSA-N 0 0 282.275 1.242 20 5 CDBDRN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000343043908 152008750 /nfs/dbraw/zinc/00/87/50/152008750.db2.gz QUFYEXINDZVUQK-SECBINFHSA-N 0 0 274.280 1.851 20 5 CDBDRN O=C(c1cccc([N+](=O)[O-])c1)N(CCO)CC1CC1 ZINC000343056033 152014408 /nfs/dbraw/zinc/01/44/08/152014408.db2.gz OGFDOOUJXIWTSF-UHFFFAOYSA-N 0 0 264.281 1.439 20 5 CDBDRN Cn1ccnc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343284638 152102250 /nfs/dbraw/zinc/10/22/50/152102250.db2.gz HGXBPZRSFHRHQG-UHFFFAOYSA-N 0 0 299.290 1.740 20 5 CDBDRN O=C([C@H]1CC[C@@H](O)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000343458192 152188405 /nfs/dbraw/zinc/18/84/05/152188405.db2.gz XBYVTLFYJOZFMY-VHSXEESVSA-N 0 0 276.292 1.645 20 5 CDBDRN Cc1ncc(CNc2ccc([N+](=O)[O-])c(C)n2)c(=O)[nH]1 ZINC000343588188 152234474 /nfs/dbraw/zinc/23/44/74/152234474.db2.gz FHVSMFLONURFID-UHFFFAOYSA-N 0 0 275.268 1.136 20 5 CDBDRN CC[C@@H](O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000343590941 152235520 /nfs/dbraw/zinc/23/55/20/152235520.db2.gz AHLCCRJJSHIZRX-LLVKDONJSA-N 0 0 296.323 1.884 20 5 CDBDRN CC(C)[C@@H](CO)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343802998 152308208 /nfs/dbraw/zinc/30/82/08/152308208.db2.gz HPBYRTCEZFQREM-SNVBAGLBSA-N 0 0 281.312 1.370 20 5 CDBDRN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000344518206 152557666 /nfs/dbraw/zinc/55/76/66/152557666.db2.gz BMDBJRWFOAXKCF-ZJUUUORDSA-N 0 0 296.327 1.068 20 5 CDBDRN COc1ccc(CNC(=O)c2cc[nH]c2)cc1[N+](=O)[O-] ZINC000344840631 152661718 /nfs/dbraw/zinc/66/17/18/152661718.db2.gz PVLUMLDFVULPGM-UHFFFAOYSA-N 0 0 275.264 1.862 20 5 CDBDRN Cc1nccc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000344916212 152685330 /nfs/dbraw/zinc/68/53/30/152685330.db2.gz BWTHZIRCVZHQHK-UHFFFAOYSA-N 0 0 288.263 1.711 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H](CC)C[C@@H](C)CO)c1[N+](=O)[O-] ZINC000345053325 152723434 /nfs/dbraw/zinc/72/34/34/152723434.db2.gz FNGLAWCJDJVMAR-BDAKNGLRSA-N 0 0 298.343 1.407 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]1C(F)F ZINC000345830291 152968740 /nfs/dbraw/zinc/96/87/40/152968740.db2.gz VRNWIYCWPQRFPS-VDTYLAMSSA-N 0 0 271.223 1.560 20 5 CDBDRN Cc1cc(C(=O)N2CCc3n[nH]nc3C2)cc([N+](=O)[O-])c1 ZINC000346028234 153029464 /nfs/dbraw/zinc/02/94/64/153029464.db2.gz CKJGOCAZFPVZPJ-UHFFFAOYSA-N 0 0 287.279 1.220 20 5 CDBDRN CN(CC[C@@H]1CCCO1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000346133830 153065157 /nfs/dbraw/zinc/06/51/57/153065157.db2.gz KYPAEYCXXJSQJU-JTQLQIEISA-N 0 0 295.295 1.337 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCNc2cnccn2)c(Cl)c1 ZINC000346423458 153180870 /nfs/dbraw/zinc/18/08/70/153180870.db2.gz XLPGMNRVSDHKNB-UHFFFAOYSA-N 0 0 294.702 1.379 20 5 CDBDRN COCc1noc(CSCc2c([N+](=O)[O-])ncn2C)n1 ZINC000346610301 153243157 /nfs/dbraw/zinc/24/31/57/153243157.db2.gz ZMSTZZAQCGVJSU-UHFFFAOYSA-N 0 0 299.312 1.291 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCN1 ZINC000346655396 153259209 /nfs/dbraw/zinc/25/92/09/153259209.db2.gz ZRUHEJAIFFLJDL-UHFFFAOYSA-N 0 0 250.258 1.727 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](O)C[C@H]1C ZINC000346729697 153287311 /nfs/dbraw/zinc/28/73/11/153287311.db2.gz MFQIGDQUALLBTQ-KOLCDFICSA-N 0 0 294.307 1.589 20 5 CDBDRN CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000346906047 153344890 /nfs/dbraw/zinc/34/48/90/153344890.db2.gz AWEVFBIPOMUBSN-UHFFFAOYSA-N 0 0 276.252 1.901 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[S@](=O)C[C@H](C)C2)n1 ZINC000277949887 292288897 /nfs/dbraw/zinc/28/88/97/292288897.db2.gz IMAOLYCFXIEXLS-HOGDKLEQSA-N 0 0 283.353 1.503 20 5 CDBDRN C[C@@H](C(=O)NC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000347642632 153607405 /nfs/dbraw/zinc/60/74/05/153607405.db2.gz SRDBJGBEBBVVAX-ZJUUUORDSA-N 0 0 296.298 1.990 20 5 CDBDRN COC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000347656340 153613071 /nfs/dbraw/zinc/61/30/71/153613071.db2.gz XZLYHDXENFZWTR-UHFFFAOYSA-N 0 0 296.348 1.934 20 5 CDBDRN C[C@]1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000348033583 153756598 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COc1ccc(CN2CCn3ncnc3C2)cc1[N+](=O)[O-] ZINC000351915254 154817754 /nfs/dbraw/zinc/81/77/54/154817754.db2.gz LHJLVLYTEXWAKI-UHFFFAOYSA-N 0 0 289.295 1.211 20 5 CDBDRN C[C@@H](O)C[C@H](C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354431470 156446934 /nfs/dbraw/zinc/44/69/34/156446934.db2.gz OGVWNMTWURBIGG-VHSXEESVSA-N 0 0 298.343 1.050 20 5 CDBDRN CCOC1(C)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000355619367 157150387 /nfs/dbraw/zinc/15/03/87/157150387.db2.gz MVOZYBHQBYRHBI-UHFFFAOYSA-N 0 0 282.300 1.349 20 5 CDBDRN CN(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000355689789 157186148 /nfs/dbraw/zinc/18/61/48/157186148.db2.gz SWRJADFCWXCNBD-XQQFMLRXSA-N 0 0 276.292 1.983 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(Cc2cscn2)no1 ZINC000355770925 157226882 /nfs/dbraw/zinc/22/68/82/157226882.db2.gz DIALTWRDPAFUFD-UHFFFAOYSA-N 0 0 292.280 1.426 20 5 CDBDRN C[C@H](O)CCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000355948658 157295034 /nfs/dbraw/zinc/29/50/34/157295034.db2.gz LIRBSHNJMRIKJP-ZETCQYMHSA-N 0 0 260.677 1.571 20 5 CDBDRN CCOC[C@H](O)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000355985682 157308121 /nfs/dbraw/zinc/30/81/21/157308121.db2.gz RBERKRYGVKFQER-SNVBAGLBSA-N 0 0 297.311 1.422 20 5 CDBDRN COc1c(C(=O)N=c2cc(C)n(C)[nH]2)cccc1[N+](=O)[O-] ZINC000356508789 157497431 /nfs/dbraw/zinc/49/74/31/157497431.db2.gz QBZJVNZXVMXRRN-UHFFFAOYSA-N 0 0 290.279 1.320 20 5 CDBDRN CCOCCCn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000356539899 157505982 /nfs/dbraw/zinc/50/59/82/157505982.db2.gz XSFWBAOGWOLWFV-UHFFFAOYSA-N 0 0 277.280 1.731 20 5 CDBDRN CC(C)=CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376045510 160447087 /nfs/dbraw/zinc/44/70/87/160447087.db2.gz OJLPEADJENJLIG-UHFFFAOYSA-N 0 0 278.312 1.921 20 5 CDBDRN CSCCCCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357388059 157740039 /nfs/dbraw/zinc/74/00/39/157740039.db2.gz XIIDOFKRFVGOQE-UHFFFAOYSA-N 0 0 286.357 1.591 20 5 CDBDRN CC[C@@H](C[C@H](C)CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357483184 157756362 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CC(C)(CCC(=O)N1CC[C@H](O)[C@H]2CCCC[C@H]21)[N+](=O)[O-] ZINC000871198172 1165276924 /nfs/dbraw/zinc/27/69/24/1165276924.db2.gz RNYKOJGKJJSFSH-XQQFMLRXSA-N 0 0 298.383 1.974 20 5 CDBDRN CC1=NN(c2cc([N+](=O)[O-])ccc2C)C(=O)[C@H]1F ZINC000871949736 1165364301 /nfs/dbraw/zinc/36/43/01/1165364301.db2.gz KVWCORAHJNLMND-JTQLQIEISA-N 0 0 251.217 1.964 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OC[C@@H]1CCC(=O)N1 ZINC000873438807 1165557133 /nfs/dbraw/zinc/55/71/33/1165557133.db2.gz ZEHCXPPLOZIOAV-JTQLQIEISA-N 0 0 292.291 1.647 20 5 CDBDRN Cc1nn(CN(C)[C@@H]2CCSC2)c(C)c1[N+](=O)[O-] ZINC000124969090 1165625296 /nfs/dbraw/zinc/62/52/96/1165625296.db2.gz DMYJQZGGZWFYJB-SNVBAGLBSA-N 0 0 270.358 1.803 20 5 CDBDRN CNc1cc([N+](=O)[O-])cnc1NCc1nccc(C)n1 ZINC001162190958 1167302508 /nfs/dbraw/zinc/30/25/08/1167302508.db2.gz KFICPQXBVANDEC-UHFFFAOYSA-N 0 0 274.284 1.742 20 5 CDBDRN COC(=O)c1cnc(Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC001210392213 1167359325 /nfs/dbraw/zinc/35/93/25/1167359325.db2.gz 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1174078132 /nfs/dbraw/zinc/07/81/32/1174078132.db2.gz HLBISRSYMNWSMZ-UHFFFAOYSA-N 0 0 280.263 1.937 20 5 CDBDRN O=[N+]([O-])c1cnc(NC/C=C/Cl)c(-c2nn[nH]n2)c1 ZINC001593484893 1174084917 /nfs/dbraw/zinc/08/49/17/1174084917.db2.gz LZBFABREOSCNPG-OWOJBTEDSA-N 0 0 281.663 1.334 20 5 CDBDRN O=[N+]([O-])c1c(F)cc(F)cc1NCc1ncon1 ZINC000231830393 1178178905 /nfs/dbraw/zinc/17/89/05/1178178905.db2.gz AJGWBZMDYPMUOA-UHFFFAOYSA-N 0 0 256.168 1.868 20 5 CDBDRN Cc1nc(Cl)nc(N2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000235940445 1178245531 /nfs/dbraw/zinc/24/55/31/1178245531.db2.gz SQZFQFGAGAMMFH-ZETCQYMHSA-N 0 0 272.692 1.165 20 5 CDBDRN COCC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001754506946 1185649202 /nfs/dbraw/zinc/64/92/02/1185649202.db2.gz ZENPRFYHVGUFNV-UHFFFAOYSA-N 0 0 299.352 1.041 20 5 CDBDRN C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000401338582 1186411152 /nfs/dbraw/zinc/41/11/52/1186411152.db2.gz QLZYEHADPKIJOI-VGMNWLOBSA-N 0 0 266.301 1.134 20 5 CDBDRN 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NEIJWZDWBRLZSW-JTQLQIEISA-N 0 0 281.312 1.404 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)s1 ZINC000189986167 373311090 /nfs/dbraw/zinc/31/10/90/373311090.db2.gz XROLEUSMYQAJJH-DTWKUNHWSA-N 0 0 285.325 1.436 20 5 CDBDRN CN(Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190978068 373429842 /nfs/dbraw/zinc/42/98/42/373429842.db2.gz PZFJLLGZSNITSO-UHFFFAOYSA-N 0 0 298.314 1.707 20 5 CDBDRN O=c1[nH]cccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000253415999 373725387 /nfs/dbraw/zinc/72/53/87/373725387.db2.gz ZPOLYFUTDMLBHK-JTQLQIEISA-N 0 0 284.231 1.896 20 5 CDBDRN Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000266088916 373829829 /nfs/dbraw/zinc/82/98/29/373829829.db2.gz YXKZQEBICMSQEG-AVPPRXQKSA-N 0 0 294.311 1.170 20 5 CDBDRN CO[C@]1(CNc2nccc(C)c2[N+](=O)[O-])CCOC1 ZINC000123105868 373903325 /nfs/dbraw/zinc/90/33/25/373903325.db2.gz RQZSZTDGDNHGII-LBPRGKRZSA-N 0 0 267.285 1.516 20 5 CDBDRN CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000169041862 373864936 /nfs/dbraw/zinc/86/49/36/373864936.db2.gz QSKQFWYNKSHVAH-UHFFFAOYSA-N 0 0 280.280 1.655 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(F)F ZINC000389518011 374011150 /nfs/dbraw/zinc/01/11/50/374011150.db2.gz YEJDKUJAVJEGGY-RXMQYKEDSA-N 0 0 274.227 1.346 20 5 CDBDRN C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382279 373976982 /nfs/dbraw/zinc/97/69/82/373976982.db2.gz FNOAISBXDSQZJQ-NEPJUHHUSA-N 0 0 289.335 1.899 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC12CC2 ZINC000416054718 374044098 /nfs/dbraw/zinc/04/40/98/374044098.db2.gz FPTKEHJHQGAVEY-JTQLQIEISA-N 0 0 276.292 1.890 20 5 CDBDRN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3CCOC3)n2)n1C ZINC000347112411 374048481 /nfs/dbraw/zinc/04/84/81/374048481.db2.gz ARFBDAXKYPOTKL-MRVPVSSYSA-N 0 0 293.283 1.266 20 5 CDBDRN CC1(C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)OCCO1 ZINC000274061077 374086753 /nfs/dbraw/zinc/08/67/53/374086753.db2.gz ZXHQOJLGXRRVDD-UHFFFAOYSA-N 0 0 294.311 1.364 20 5 CDBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H](O)C[C@H]1CO ZINC000274176520 374155171 /nfs/dbraw/zinc/15/51/71/374155171.db2.gz NVLDFLKJMCPZRK-QWRGUYRKSA-N 0 0 286.715 1.176 20 5 CDBDRN C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423751440 246026532 /nfs/dbraw/zinc/02/65/32/246026532.db2.gz YQTZXGKHAOFLNK-WDSKDSINSA-N 0 0 287.703 1.876 20 5 CDBDRN C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)O1 ZINC000347122661 374260996 /nfs/dbraw/zinc/26/09/96/374260996.db2.gz WMARNRQRUGSFQN-BHNWBGBOSA-N 0 0 293.283 1.864 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCOCC1CCC1 ZINC000418957060 374268986 /nfs/dbraw/zinc/26/89/86/374268986.db2.gz DFXPXGJVITUBSP-UHFFFAOYSA-N 0 0 266.297 1.882 20 5 CDBDRN COc1ccc(CNC(=O)N2CCC2)cc1[N+](=O)[O-] ZINC000298945314 374274646 /nfs/dbraw/zinc/27/46/46/374274646.db2.gz RQQWPPBKEPAFKO-UHFFFAOYSA-N 0 0 265.269 1.519 20 5 CDBDRN CN(CC1CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000298858891 374241138 /nfs/dbraw/zinc/24/11/38/374241138.db2.gz PRKQVMSTDHDBGN-UHFFFAOYSA-N 0 0 284.337 1.766 20 5 CDBDRN COc1ccc(C(=O)NC[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000077047729 374242431 /nfs/dbraw/zinc/24/24/31/374242431.db2.gz HLKLRDHBGDQZOM-VHSXEESVSA-N 0 0 296.323 1.740 20 5 CDBDRN O=C(NCCCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])o1 ZINC000055145793 374245125 /nfs/dbraw/zinc/24/51/25/374245125.db2.gz UWWPQOBYTIRWEM-JTQLQIEISA-N 0 0 298.295 1.503 20 5 CDBDRN CCOC(=O)CC[C@H](O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000296121330 374286557 /nfs/dbraw/zinc/28/65/57/374286557.db2.gz LMOSTLCQSURJSF-NSHDSACASA-N 0 0 297.307 1.986 20 5 CDBDRN Cc1cc(C(=O)NCc2ncc[nH]2)cc([N+](=O)[O-])c1 ZINC000114335976 374304342 /nfs/dbraw/zinc/30/43/42/374304342.db2.gz XVSWSWNUTOHHPV-UHFFFAOYSA-N 0 0 260.253 1.556 20 5 CDBDRN C[C@@H]1CCCN(C(=O)Cn2nccc2[N+](=O)[O-])C1 ZINC000299035006 374323306 /nfs/dbraw/zinc/32/33/06/374323306.db2.gz RDAMOKWSPVQRBD-SECBINFHSA-N 0 0 252.274 1.050 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(N)=O ZINC000421740934 374328143 /nfs/dbraw/zinc/32/81/43/374328143.db2.gz MVAHOZOHBVURCT-LLVKDONJSA-N 0 0 291.307 1.302 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[S@](C)=O ZINC000421799822 374332857 /nfs/dbraw/zinc/33/28/57/374332857.db2.gz FUOYTQCPKHONFS-SBKAZYGRSA-N 0 0 298.364 1.708 20 5 CDBDRN COC[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)OC ZINC000421801857 374334687 /nfs/dbraw/zinc/33/46/87/374334687.db2.gz LXHZJBSJGDKOFR-NSHDSACASA-N 0 0 296.323 1.603 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nccnc1N ZINC000114674395 374338782 /nfs/dbraw/zinc/33/87/82/374338782.db2.gz PPKKSUBRGGTNTP-UHFFFAOYSA-N 0 0 273.252 1.528 20 5 CDBDRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000525645601 374314775 /nfs/dbraw/zinc/31/47/75/374314775.db2.gz KMMABZINUYFYBZ-UHFFFAOYSA-N 0 0 288.263 1.711 20 5 CDBDRN CC[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000079063642 374377635 /nfs/dbraw/zinc/37/76/35/374377635.db2.gz ZRBAKAXDDSHNTO-SECBINFHSA-N 0 0 267.285 1.796 20 5 CDBDRN Cc1nccn1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299143719 374439147 /nfs/dbraw/zinc/43/91/47/374439147.db2.gz YUURPDXOIPJNDC-UHFFFAOYSA-N 0 0 278.268 1.513 20 5 CDBDRN COCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011560079 374443523 /nfs/dbraw/zinc/44/35/23/374443523.db2.gz ODKBWTMUCMRVRY-UHFFFAOYSA-N 0 0 267.285 1.159 20 5 CDBDRN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCc1nnc[nH]1 ZINC000080585754 374471926 /nfs/dbraw/zinc/47/19/26/374471926.db2.gz BHBYIHIUZUTBLL-ZZXKWVIFSA-N 0 0 287.279 1.085 20 5 CDBDRN Cc1cc(=O)n(CCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000531628921 374503658 /nfs/dbraw/zinc/50/36/58/374503658.db2.gz VUEDSGJRFQSLEL-UHFFFAOYSA-N 0 0 279.296 1.077 20 5 CDBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCn2nccc21 ZINC000375720060 374509858 /nfs/dbraw/zinc/50/98/58/374509858.db2.gz YYUIUUIOTVLULE-UHFFFAOYSA-N 0 0 294.292 1.000 20 5 CDBDRN NC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000053891671 374517180 /nfs/dbraw/zinc/51/71/80/374517180.db2.gz BDFLVBURALRZJV-SSDOTTSWSA-N 0 0 297.698 1.196 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(NCCN2CCO[C@H](C)C2)n1 ZINC000531949682 374519656 /nfs/dbraw/zinc/51/96/56/374519656.db2.gz WHYCYURVRQTTFN-LLVKDONJSA-N 0 0 280.328 1.431 20 5 CDBDRN O=C1CC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N1 ZINC000081590127 374527833 /nfs/dbraw/zinc/52/78/33/374527833.db2.gz PFJBJIDWXFNIKR-QMMMGPOBSA-N 0 0 287.279 1.229 20 5 CDBDRN CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423941821 246240456 /nfs/dbraw/zinc/24/04/56/246240456.db2.gz DDELYHOCNVPCEA-LLVKDONJSA-N 0 0 279.296 1.110 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376200360 374543929 /nfs/dbraw/zinc/54/39/29/374543929.db2.gz UHDRHEXOZHQBRX-NXEZZACHSA-N 0 0 296.279 1.208 20 5 CDBDRN O=C(NC[C@@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000081858634 374560329 /nfs/dbraw/zinc/56/03/29/374560329.db2.gz BJGPZBNLIAITJF-MRVPVSSYSA-N 0 0 278.186 1.248 20 5 CDBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC(O)(c2ccccc2)C1 ZINC000377133473 374585290 /nfs/dbraw/zinc/58/52/90/374585290.db2.gz VVYFWYZFKWADPU-UHFFFAOYSA-N 0 0 298.298 1.938 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccn(C)n1 ZINC000123703502 374695683 /nfs/dbraw/zinc/69/56/83/374695683.db2.gz AQERTLKETDAKDB-UHFFFAOYSA-N 0 0 289.295 1.687 20 5 CDBDRN C[C@H](O)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118731978 374670038 /nfs/dbraw/zinc/67/00/38/374670038.db2.gz OKTRVDIVSSVUST-NSHDSACASA-N 0 0 292.335 1.757 20 5 CDBDRN COC(=O)c1cnc(S[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000276723247 374745746 /nfs/dbraw/zinc/74/57/46/374745746.db2.gz KTRLEZAKQPYWTI-BQBZGAKWSA-N 0 0 286.309 1.638 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC(c2cc(N)n[nH]2)CC1 ZINC000079023806 374758855 /nfs/dbraw/zinc/75/88/55/374758855.db2.gz ACPDUXLRWGGNDU-UHFFFAOYSA-N 0 0 291.315 1.018 20 5 CDBDRN O=C(NCCC(F)(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000123670135 374704848 /nfs/dbraw/zinc/70/48/48/374704848.db2.gz YDUMKCZAPBPJTB-UHFFFAOYSA-N 0 0 252.152 1.000 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)[C@@H]1CCCO1 ZINC000447809874 374713236 /nfs/dbraw/zinc/71/32/36/374713236.db2.gz DMEJLWREODJKCX-JQWIXIFHSA-N 0 0 270.260 1.686 20 5 CDBDRN CSCC[C@@H](CO)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000154587985 374716954 /nfs/dbraw/zinc/71/69/54/374716954.db2.gz QANSJXKQUQVMIU-VIFPVBQESA-N 0 0 299.352 1.220 20 5 CDBDRN Cc1ccc(CN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000093047620 374724242 /nfs/dbraw/zinc/72/42/42/374724242.db2.gz MNAJHYQCUHQWMR-UHFFFAOYSA-N 0 0 284.337 1.134 20 5 CDBDRN CCOc1cc(CN2C(=O)C[C@@H](C)C2=O)ccc1[N+](=O)[O-] ZINC000277711554 374805366 /nfs/dbraw/zinc/80/53/66/374805366.db2.gz GGGFJDAKUPDZOB-SECBINFHSA-N 0 0 292.291 1.889 20 5 CDBDRN CCOC1CC(O)(CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000278044990 374829514 /nfs/dbraw/zinc/82/95/14/374829514.db2.gz QVSKCMWIPBMMMZ-UHFFFAOYSA-N 0 0 281.312 1.640 20 5 CDBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000277146634 374773863 /nfs/dbraw/zinc/77/38/63/374773863.db2.gz KKMPRKKJXBDLSM-MGNBDDOMSA-N 0 0 268.338 1.942 20 5 CDBDRN CC(C)(C(=O)NCCCCO)c1ccc([N+](=O)[O-])cc1F ZINC000279369408 374893382 /nfs/dbraw/zinc/89/33/82/374893382.db2.gz WRAKIXOQEJPIIV-UHFFFAOYSA-N 0 0 298.314 1.900 20 5 CDBDRN Cc1nn(C)c(-c2nc(-c3ncoc3C)no2)c1[N+](=O)[O-] ZINC000278227242 374835366 /nfs/dbraw/zinc/83/53/66/374835366.db2.gz YCEITVXKACGAQY-UHFFFAOYSA-N 0 0 290.239 1.650 20 5 CDBDRN CCOC(=O)[C@@H](C)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000278316928 374839205 /nfs/dbraw/zinc/83/92/05/374839205.db2.gz HOIXXRASSNTXHX-JGVFFNPUSA-N 0 0 270.289 1.328 20 5 CDBDRN C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330365858 374848299 /nfs/dbraw/zinc/84/82/99/374848299.db2.gz ICBPFHFOAZFJKA-VHSXEESVSA-N 0 0 281.312 1.689 20 5 CDBDRN C[C@H]1CCCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000424745513 246560979 /nfs/dbraw/zinc/56/09/79/246560979.db2.gz WDVZWFNBFFLNOA-JQWIXIFHSA-N 0 0 280.328 1.734 20 5 CDBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000330545833 374862423 /nfs/dbraw/zinc/86/24/23/374862423.db2.gz ZSQSIIHHUQUVDW-CABZTGNLSA-N 0 0 294.307 1.446 20 5 CDBDRN CO[C@H](C(=O)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000279530719 374919444 /nfs/dbraw/zinc/91/94/44/374919444.db2.gz ULFIWJVSCXYZMJ-NSHDSACASA-N 0 0 251.238 1.925 20 5 CDBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000331487300 374964175 /nfs/dbraw/zinc/96/41/75/374964175.db2.gz MMIWPMRRKYZRKQ-UHFFFAOYSA-N 0 0 251.286 1.948 20 5 CDBDRN COCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCO[C@H]1C ZINC000331210924 374906593 /nfs/dbraw/zinc/90/65/93/374906593.db2.gz RKEWLOOLSNNARW-JOYOIKCWSA-N 0 0 297.311 1.189 20 5 CDBDRN CSCCONC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000279925088 374976415 /nfs/dbraw/zinc/97/64/15/374976415.db2.gz HPSKNUBQVWWLCU-UHFFFAOYSA-N 0 0 270.310 1.928 20 5 CDBDRN CO[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000280267418 374987567 /nfs/dbraw/zinc/98/75/67/374987567.db2.gz ZLCCUGBJTOSZRD-CQSZACIVSA-N 0 0 294.307 1.942 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CCC2)nc1 ZINC000280262306 374988246 /nfs/dbraw/zinc/98/82/46/374988246.db2.gz NYWDXYBXGATSKL-SNVBAGLBSA-N 0 0 251.286 1.953 20 5 CDBDRN CSC1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000280213448 374988499 /nfs/dbraw/zinc/98/84/99/374988499.db2.gz WFHIHROZSSQFDO-UHFFFAOYSA-N 0 0 284.341 1.344 20 5 CDBDRN COC(=O)[C@@H](C)N(C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000280660514 375009896 /nfs/dbraw/zinc/00/98/96/375009896.db2.gz BCEOYHBPMKCKHN-ZCFIWIBFSA-N 0 0 280.240 1.129 20 5 CDBDRN COc1cc(NC[C@H](CO)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000280667244 375010124 /nfs/dbraw/zinc/01/01/24/375010124.db2.gz BOYRBLXRROATFY-WDEREUQCSA-N 0 0 296.323 1.660 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1c1ncon1 ZINC000265694598 296225428 /nfs/dbraw/zinc/22/54/28/296225428.db2.gz OKORPFZRXKGRQO-VIFPVBQESA-N 0 0 291.267 1.673 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332208853 375016790 /nfs/dbraw/zinc/01/67/90/375016790.db2.gz GAPVOEALHRGGGK-SCRDCRAPSA-N 0 0 290.319 1.828 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1cncnc1N ZINC000280828157 375026875 /nfs/dbraw/zinc/02/68/75/375026875.db2.gz YVLDMDLSPVXKRD-UHFFFAOYSA-N 0 0 277.288 1.104 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCOC1=O ZINC000170981980 375028647 /nfs/dbraw/zinc/02/86/47/375028647.db2.gz YDWJMSCPCAAYPM-UHFFFAOYSA-N 0 0 280.284 1.552 20 5 CDBDRN CO[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000279885515 374972293 /nfs/dbraw/zinc/97/22/93/374972293.db2.gz CRKOWSWKIYHYHR-NSHDSACASA-N 0 0 265.269 1.662 20 5 CDBDRN Cc1cn(CC(=O)N2CCCC[C@@H]2C)nc1[N+](=O)[O-] ZINC000282250081 375076006 /nfs/dbraw/zinc/07/60/06/375076006.db2.gz MUKICKLOEZLTQG-JTQLQIEISA-N 0 0 266.301 1.501 20 5 CDBDRN O=C(Cn1cnc([N+](=O)[O-])c1)NCCCc1ccccc1 ZINC000045914180 375088249 /nfs/dbraw/zinc/08/82/49/375088249.db2.gz KVYLEPJJWSLOLK-UHFFFAOYSA-N 0 0 288.307 1.540 20 5 CDBDRN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C ZINC000282498037 375090748 /nfs/dbraw/zinc/09/07/48/375090748.db2.gz OPLAUIWCVUWRPF-UHFFFAOYSA-N 0 0 261.285 1.668 20 5 CDBDRN COc1ccc(OC[C@H]2CNC(=O)O2)cc1[N+](=O)[O-] ZINC000282159571 375067065 /nfs/dbraw/zinc/06/70/65/375067065.db2.gz CUPONHUOCBSDQG-MRVPVSSYSA-N 0 0 268.225 1.091 20 5 CDBDRN COc1cc(N2CCC3(CC2)OCCO3)ccc1[N+](=O)[O-] ZINC000097093934 375146540 /nfs/dbraw/zinc/14/65/40/375146540.db2.gz XDYQILYENWMGAA-UHFFFAOYSA-N 0 0 294.307 1.947 20 5 CDBDRN Cc1n[nH]c(C(=O)NCCc2nccs2)c1[N+](=O)[O-] ZINC000299596478 375184669 /nfs/dbraw/zinc/18/46/69/375184669.db2.gz RMCYLYDVNKXTFP-UHFFFAOYSA-N 0 0 281.297 1.055 20 5 CDBDRN Nc1nc(N2CCc3c2cccc3F)ncc1[N+](=O)[O-] ZINC000302178769 375176515 /nfs/dbraw/zinc/17/65/15/375176515.db2.gz XLVMPNPHQXSQHX-UHFFFAOYSA-N 0 0 275.243 1.800 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCOCCO)c1 ZINC000283610613 375120160 /nfs/dbraw/zinc/12/01/60/375120160.db2.gz UKOPIVQBQGDZDZ-UHFFFAOYSA-N 0 0 254.286 1.348 20 5 CDBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC1 ZINC000350763213 375241992 /nfs/dbraw/zinc/24/19/92/375241992.db2.gz AUHYDJSQNQMZSX-UHFFFAOYSA-N 0 0 297.698 1.210 20 5 CDBDRN CN(C)c1noc(CNc2ccc([N+](=O)[O-])cc2F)n1 ZINC000302271152 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CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OCCCc1cccnc1 ZINC000126822149 1175505309 /nfs/dbraw/zinc/50/53/09/1175505309.db2.gz CMSGUEMSDDCOBD-UHFFFAOYSA-N 0 0 290.279 1.362 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N[C@@H](CO)C(C)C)n1 ZINC000134220050 1175812949 /nfs/dbraw/zinc/81/29/49/1175812949.db2.gz CWXWPKVVWALIDL-QMMMGPOBSA-N 0 0 255.274 1.427 20 5 CDBDRN O=C(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000134441507 1175817879 /nfs/dbraw/zinc/81/78/79/1175817879.db2.gz KNVAKOKDAZBWDF-UHFFFAOYSA-N 0 0 295.270 1.086 20 5 CDBDRN CN1CC[C@@H](Nc2cc(F)cc(F)c2[N+](=O)[O-])C1=O ZINC000230276729 1178148782 /nfs/dbraw/zinc/14/87/82/1178148782.db2.gz CEOJXSSBWULKLS-MRVPVSSYSA-N 0 0 271.223 1.516 20 5 CDBDRN O=C(CNc1nc(Cl)ncc1[N+](=O)[O-])N1CCCC1 ZINC000236055445 1178248051 /nfs/dbraw/zinc/24/80/51/1178248051.db2.gz URVACQKMRHVTNK-UHFFFAOYSA-N 0 0 285.691 1.073 20 5 CDBDRN CC(=O)c1cc(O[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000311945477 1186692347 /nfs/dbraw/zinc/69/23/47/1186692347.db2.gz 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CC(C)[C@H](NC=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000858403435 783800146 /nfs/dbraw/zinc/80/01/46/783800146.db2.gz FLBPGKKITUXGER-ZDUSSCGKSA-N 0 0 293.323 1.324 20 5 CDBDRN CC[C@H](C)N(OC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000777522679 783800644 /nfs/dbraw/zinc/80/06/44/783800644.db2.gz AWKRSBZVMDCRIJ-ZETCQYMHSA-N 0 0 256.262 1.130 20 5 CDBDRN CO[C@@]1(C)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869300672 783804716 /nfs/dbraw/zinc/80/47/16/783804716.db2.gz LVBXUPZCEHSOBB-MFKMUULPSA-N 0 0 282.271 1.570 20 5 CDBDRN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](CF)C3)nn21 ZINC000882802175 783805522 /nfs/dbraw/zinc/80/55/22/783805522.db2.gz TVTUMNZQOHYYJC-SECBINFHSA-N 0 0 279.275 1.823 20 5 CDBDRN CC[C@H](C)COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781661871 783814192 /nfs/dbraw/zinc/81/41/92/783814192.db2.gz BETMHNUAKIQSSM-ZETCQYMHSA-N 0 0 253.258 1.775 20 5 CDBDRN CCCc1[nH]nc(C(=O)O[C@H](C)CCOC)c1[N+](=O)[O-] ZINC000796260389 783854083 /nfs/dbraw/zinc/85/40/83/783854083.db2.gz 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C[C@@]1(COC(=O)Cc2ccccc2[N+](=O)[O-])COC(=O)N1 ZINC000860991212 784221005 /nfs/dbraw/zinc/22/10/05/784221005.db2.gz OVEDNPSCYNWQBN-CYBMUJFWSA-N 0 0 294.263 1.179 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C(C)C ZINC000005713583 784237015 /nfs/dbraw/zinc/23/70/15/784237015.db2.gz CLJHXIFPVXZOBB-UHFFFAOYSA-N 0 0 296.279 1.741 20 5 CDBDRN Cc1cnc(N[C@H]2C[C@@H](NC(=O)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001059542590 784258584 /nfs/dbraw/zinc/25/85/84/784258584.db2.gz YWTUUSHBJPLXNW-PHIMTYICSA-N 0 0 290.323 1.767 20 5 CDBDRN COc1ccc(OC(=O)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000792590220 784324724 /nfs/dbraw/zinc/32/47/24/784324724.db2.gz KPXNLXYDRMMAEY-WPRPVWTQSA-N 0 0 281.264 1.934 20 5 CDBDRN CON(C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000880645125 784351118 /nfs/dbraw/zinc/35/11/18/784351118.db2.gz DSLIYAILEDPTSE-SNVBAGLBSA-N 0 0 281.312 1.308 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000795304367 784351299 /nfs/dbraw/zinc/35/12/99/784351299.db2.gz UTHIACWHETVSKK-UHFFFAOYSA-N 0 0 291.223 1.156 20 5 CDBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930621923 784351637 /nfs/dbraw/zinc/35/16/37/784351637.db2.gz XJRUVYCWHJQMLX-SDNRWEOFSA-N 0 0 276.296 1.578 20 5 CDBDRN CC(C)(CCc1noc(C[C@H]2CCCO2)n1)[N+](=O)[O-] ZINC000812814484 784358085 /nfs/dbraw/zinc/35/80/85/784358085.db2.gz YJKMFHYRVDZEGR-SECBINFHSA-N 0 0 269.301 1.779 20 5 CDBDRN Nc1nc(N2CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC000795272085 784365545 /nfs/dbraw/zinc/36/55/45/784365545.db2.gz OAOSVPFQRBFBSQ-UHFFFAOYSA-N 0 0 259.216 1.203 20 5 CDBDRN O=C(OC[C@H]1CCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000835984566 784431810 /nfs/dbraw/zinc/43/18/10/784431810.db2.gz MTBDQDCDSFQDFV-SECBINFHSA-N 0 0 278.264 1.278 20 5 CDBDRN C[C@@H]1C(=O)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C ZINC000776274717 784485454 /nfs/dbraw/zinc/48/54/54/784485454.db2.gz CCRWVJTZXMQWEF-HOTUBEGUSA-N 0 0 292.291 1.269 20 5 CDBDRN O=C(CCn1ccnn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000885622317 784500122 /nfs/dbraw/zinc/50/01/22/784500122.db2.gz VJDXMGUWPAAZPO-UHFFFAOYSA-N 0 0 279.231 1.354 20 5 CDBDRN COc1c(C(=O)N2C[C@@H]3C[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000793902524 784523243 /nfs/dbraw/zinc/52/32/43/784523243.db2.gz MNBAEDMIZBIRKK-LKFCYVNXSA-N 0 0 292.291 1.058 20 5 CDBDRN O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712304613 784660980 /nfs/dbraw/zinc/66/09/80/784660980.db2.gz SMKBKYMVRQKUDT-VHSKPIJISA-N 0 0 283.715 1.850 20 5 CDBDRN CON(C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865922700 784698031 /nfs/dbraw/zinc/69/80/31/784698031.db2.gz CAPJOICJYOXFLR-UHFFFAOYSA-N 0 0 273.264 1.131 20 5 CDBDRN Cc1cc(C(=O)OC[C@@H]2CCCO2)c(N)c([N+](=O)[O-])c1 ZINC000163203301 784701965 /nfs/dbraw/zinc/70/19/65/784701965.db2.gz FSEHNCQQFWSPEQ-VIFPVBQESA-N 0 0 280.280 1.821 20 5 CDBDRN COC[C@@H](C)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865017819 784704158 /nfs/dbraw/zinc/70/41/58/784704158.db2.gz AVOVHFQTWMZALL-VIFPVBQESA-N 0 0 284.287 1.675 20 5 CDBDRN 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O=C(c1cccnc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188450355 140094354 /nfs/dbraw/zinc/09/43/54/140094354.db2.gz JAEWWGCOMCIJIQ-UHFFFAOYSA-N 0 0 299.286 1.893 20 5 CDBDRN Cc1c(NC(=O)C(=O)Nc2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000191068700 140134245 /nfs/dbraw/zinc/13/42/45/140134245.db2.gz WIEQORDIJLLPCW-UHFFFAOYSA-N 0 0 289.251 1.204 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](OCCO)C1 ZINC000192598508 140142202 /nfs/dbraw/zinc/14/22/02/140142202.db2.gz HKJLJLQWHQPQRE-LLVKDONJSA-N 0 0 298.343 1.097 20 5 CDBDRN O=C(NC1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195496992 140158795 /nfs/dbraw/zinc/15/87/95/140158795.db2.gz ZENPOJOUJWWUER-UHFFFAOYSA-N 0 0 289.291 1.985 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000229996277 140206249 /nfs/dbraw/zinc/20/62/49/140206249.db2.gz GCDCOCRMWNCNEM-WDEREUQCSA-N 0 0 294.307 1.125 20 5 CDBDRN O=[N+]([O-])c1cccc2c(NCCCOCCO)ccnc21 ZINC000230772659 140213860 /nfs/dbraw/zinc/21/38/60/140213860.db2.gz SVRDOGVUXUXIQD-UHFFFAOYSA-N 0 0 291.307 1.954 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(=O)[nH]1 ZINC000235765094 140237824 /nfs/dbraw/zinc/23/78/24/140237824.db2.gz OABQZTQHDOSLBU-UHFFFAOYSA-N 0 0 273.248 1.844 20 5 CDBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000266038439 397608170 /nfs/dbraw/zinc/60/81/70/397608170.db2.gz FTPYBKRBESQCAU-DTWKUNHWSA-N 0 0 282.271 1.889 20 5 CDBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)CCCCF)cc1 ZINC000286718408 397964104 /nfs/dbraw/zinc/96/41/04/397964104.db2.gz SENNZPCWTFFLHW-UHFFFAOYSA-N 0 0 290.316 1.764 20 5 CDBDRN O=[N+]([O-])c1cc2c(ncnc2NCC(F)(F)CO)s1 ZINC000286931499 397994188 /nfs/dbraw/zinc/99/41/88/397994188.db2.gz QSIJPKDBUJHOGM-UHFFFAOYSA-N 0 0 290.251 1.639 20 5 CDBDRN CN(CC(C)(C)O)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000092969750 147028107 /nfs/dbraw/zinc/02/81/07/147028107.db2.gz HFSFDBDQYOEACP-UHFFFAOYSA-N 0 0 292.295 1.038 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc[nH]n3)C2)nc1 ZINC000093534872 147056484 /nfs/dbraw/zinc/05/64/84/147056484.db2.gz AORGTRANQAINOJ-JTQLQIEISA-N 0 0 288.311 1.399 20 5 CDBDRN CO[C@]1(CNc2ncccc2[N+](=O)[O-])CCOC1 ZINC000123064316 147425837 /nfs/dbraw/zinc/42/58/37/147425837.db2.gz ZCZGMUBLQANLST-NSHDSACASA-N 0 0 253.258 1.207 20 5 CDBDRN O=c1scnn1Cc1ccc([N+](=O)[O-])cc1F ZINC000154329708 289202705 /nfs/dbraw/zinc/20/27/05/289202705.db2.gz SGNKZOFSQSXVOF-UHFFFAOYSA-N 0 0 255.230 1.400 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCS1 ZINC000180858477 148166138 /nfs/dbraw/zinc/16/61/38/148166138.db2.gz GHHKXMHHKYEAQU-QMMMGPOBSA-N 0 0 281.337 1.802 20 5 CDBDRN O=C(NCC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])o1 ZINC000181526672 148207829 /nfs/dbraw/zinc/20/78/29/148207829.db2.gz XZZSUHWJUOCEBT-SECBINFHSA-N 0 0 268.269 1.877 20 5 CDBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCC1 ZINC000230683578 148697163 /nfs/dbraw/zinc/69/71/63/148697163.db2.gz HVUKJLASPJSMJC-UHFFFAOYSA-N 0 0 250.258 1.102 20 5 CDBDRN CC(C)[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000311066413 149209220 /nfs/dbraw/zinc/20/92/20/149209220.db2.gz JNKCZAGUATXXGH-LLVKDONJSA-N 0 0 255.274 1.060 20 5 CDBDRN CCNC(=O)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000311355533 149211860 /nfs/dbraw/zinc/21/18/60/149211860.db2.gz PBCQRFQOVJQRFL-UHFFFAOYSA-N 0 0 281.297 1.148 20 5 CDBDRN CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1OC ZINC000313448411 149243202 /nfs/dbraw/zinc/24/32/02/149243202.db2.gz BRUDHRNWEOTKNR-STQMWFEESA-N 0 0 284.287 1.580 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(OC)CCOC1 ZINC000313739654 149246920 /nfs/dbraw/zinc/24/69/20/149246920.db2.gz ZXLCCDXRPRFDPY-LBPRGKRZSA-N 0 0 284.316 1.337 20 5 CDBDRN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334010326 149298241 /nfs/dbraw/zinc/29/82/41/149298241.db2.gz IKEOENCQLWMQSI-RYUDHWBXSA-N 0 0 291.307 1.239 20 5 CDBDRN Cc1noc(CN(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352545535 155262691 /nfs/dbraw/zinc/26/26/91/155262691.db2.gz XUJLUTRMQLEYFV-UHFFFAOYSA-N 0 0 276.296 1.961 20 5 CDBDRN CSC[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621261 155308916 /nfs/dbraw/zinc/30/89/16/155308916.db2.gz OGCIMBHDVPEEQE-GFCCVEGCSA-N 0 0 298.364 1.513 20 5 CDBDRN CCOC(=O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342923783 151961172 /nfs/dbraw/zinc/96/11/72/151961172.db2.gz GQRODRFSTKHYAS-UHFFFAOYSA-N 0 0 291.263 1.369 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(CCO)CC1CC1 ZINC000343050787 152012461 /nfs/dbraw/zinc/01/24/61/152012461.db2.gz CHPFCZGBAMPYGC-UHFFFAOYSA-N 0 0 294.307 1.205 20 5 CDBDRN NC(=O)CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000343070738 152021176 /nfs/dbraw/zinc/02/11/76/152021176.db2.gz HSJGVOOCMSTOCT-UHFFFAOYSA-N 0 0 260.253 1.334 20 5 CDBDRN Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000343089432 152027334 /nfs/dbraw/zinc/02/73/34/152027334.db2.gz DHANLOGTMFYNGP-UHFFFAOYSA-N 0 0 278.272 1.324 20 5 CDBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cn1cccn1 ZINC000343195543 152064981 /nfs/dbraw/zinc/06/49/81/152064981.db2.gz ZEHUJLZDABWGGT-SECBINFHSA-N 0 0 277.284 1.186 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N(C)[C@H]1CCCOC1 ZINC000343263493 152091352 /nfs/dbraw/zinc/09/13/52/152091352.db2.gz IZPGCPPVMXPRCO-JTQLQIEISA-N 0 0 268.317 1.735 20 5 CDBDRN Cc1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]1 ZINC000343353528 152134811 /nfs/dbraw/zinc/13/48/11/152134811.db2.gz TZAKBVFKKMKKQV-MRVPVSSYSA-N 0 0 289.295 1.821 20 5 CDBDRN O=C(NCCCc1ccc(O)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000343670358 152262712 /nfs/dbraw/zinc/26/27/12/152262712.db2.gz OSPGHXOLMWDPGX-UHFFFAOYSA-N 0 0 290.279 1.386 20 5 CDBDRN CCC1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000343774633 152298566 /nfs/dbraw/zinc/29/85/66/152298566.db2.gz BSFSKTQGTCDDKZ-UHFFFAOYSA-N 0 0 279.296 1.063 20 5 CDBDRN CCc1n[nH]c(C(=O)N2CCCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000343903173 152346739 /nfs/dbraw/zinc/34/67/39/152346739.db2.gz WVWNENTVRLVUAL-VIFPVBQESA-N 0 0 296.327 1.521 20 5 CDBDRN Cc1cc(C(=O)N2CC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000344130470 152429158 /nfs/dbraw/zinc/42/91/58/152429158.db2.gz ITVGXVMCCPPXBW-JQWIXIFHSA-N 0 0 278.308 1.746 20 5 CDBDRN Cc1nc(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000346266660 153118060 /nfs/dbraw/zinc/11/80/60/153118060.db2.gz JIZSQFCCKCASOU-UHFFFAOYSA-N 0 0 280.309 1.960 20 5 CDBDRN COCCCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346744198 153291589 /nfs/dbraw/zinc/29/15/89/153291589.db2.gz YSUUHSRZNAUXEM-UHFFFAOYSA-N 0 0 255.274 1.469 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC1(c2ccccc2)CC1 ZINC000347148305 153429344 /nfs/dbraw/zinc/42/93/44/153429344.db2.gz DTGNLEKKFUYYOQ-UHFFFAOYSA-N 0 0 286.291 1.747 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C)CCOC1 ZINC000330850247 286384340 /nfs/dbraw/zinc/38/43/40/286384340.db2.gz QBPYJJOFPBHVPC-CYBMUJFWSA-N 0 0 280.280 1.969 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)OC2=O)n1 ZINC000272878423 292290023 /nfs/dbraw/zinc/29/00/23/292290023.db2.gz GCZFWJQHDFANOR-QMMMGPOBSA-N 0 0 265.269 1.804 20 5 CDBDRN COC(=O)[C@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000348080252 153770554 /nfs/dbraw/zinc/77/05/54/153770554.db2.gz WAEIIFFHSBNQDM-ZDUSSCGKSA-N 0 0 298.270 1.156 20 5 CDBDRN COCCOC1CN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000348353055 153871938 /nfs/dbraw/zinc/87/19/38/153871938.db2.gz OSPVJCBEWMAQRF-UHFFFAOYSA-N 0 0 267.285 1.150 20 5 CDBDRN COc1cccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c1 ZINC000352747291 155407969 /nfs/dbraw/zinc/40/79/69/155407969.db2.gz FEQHEHPIEHLARF-UHFFFAOYSA-N 0 0 290.279 1.565 20 5 CDBDRN CNC(=O)CN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000348810443 153983585 /nfs/dbraw/zinc/98/35/85/153983585.db2.gz ROBURVZYQDSZSH-UHFFFAOYSA-N 0 0 274.280 1.325 20 5 CDBDRN COc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000349180596 154063483 /nfs/dbraw/zinc/06/34/83/154063483.db2.gz FTNIVMCRJOGMOM-QMMMGPOBSA-N 0 0 290.279 1.818 20 5 CDBDRN Cn1c(-c2nc(Cc3ccccn3)no2)ccc1[N+](=O)[O-] ZINC000349861405 154245043 /nfs/dbraw/zinc/24/50/43/154245043.db2.gz RRPJEEJEXNQKGE-UHFFFAOYSA-N 0 0 285.263 1.969 20 5 CDBDRN Cc1cccc(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000352143021 154982975 /nfs/dbraw/zinc/98/29/75/154982975.db2.gz XJESMGXVCJBXKZ-UHFFFAOYSA-N 0 0 274.280 1.599 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1CCn2ncnc2C1 ZINC000352267935 155066239 /nfs/dbraw/zinc/06/62/39/155066239.db2.gz WRIRJNSJGHXLOR-UHFFFAOYSA-N 0 0 289.295 1.211 20 5 CDBDRN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[S@]1=O ZINC000352295402 155081044 /nfs/dbraw/zinc/08/10/44/155081044.db2.gz VAAXZLYPZGBTJF-LWESTGQBSA-N 0 0 288.350 1.249 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CN1CCC([C@@H]2CCCO2)CC1 ZINC000375531451 160390289 /nfs/dbraw/zinc/39/02/89/160390289.db2.gz ADERGDQAEWTNJY-ZDUSSCGKSA-N 0 0 294.355 1.719 20 5 CDBDRN C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354102319 156269373 /nfs/dbraw/zinc/26/93/73/156269373.db2.gz ZPLQWPSACHUITC-MRVPVSSYSA-N 0 0 290.279 1.857 20 5 CDBDRN COC(=O)C(C)(C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354122285 156278239 /nfs/dbraw/zinc/27/82/39/156278239.db2.gz ZDCPLCMPHYDDNO-UHFFFAOYSA-N 0 0 294.307 1.547 20 5 CDBDRN Cc1nccc(NC(=O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000354287512 156368186 /nfs/dbraw/zinc/36/81/86/156368186.db2.gz JJZYMUGRIJASMX-UHFFFAOYSA-N 0 0 288.263 1.711 20 5 CDBDRN CO[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000354478960 156474958 /nfs/dbraw/zinc/47/49/58/156474958.db2.gz OMNCQDBAQRBOFG-LLVKDONJSA-N 0 0 292.295 1.503 20 5 CDBDRN CC(C)OC(=O)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355433244 157050312 /nfs/dbraw/zinc/05/03/12/157050312.db2.gz GIYFJMDENNVWJQ-QMMMGPOBSA-N 0 0 298.299 1.168 20 5 CDBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCCOC1 ZINC000355541545 157108795 /nfs/dbraw/zinc/10/87/95/157108795.db2.gz QSZJUUYCDSLTDQ-UWVGGRQHSA-N 0 0 281.312 1.478 20 5 CDBDRN C[C@@H]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355684436 157184527 /nfs/dbraw/zinc/18/45/27/157184527.db2.gz PVZGFVDPSCZKBR-SFYZADRCSA-N 0 0 252.274 1.484 20 5 CDBDRN Cc1nnsc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000355827890 157255773 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CCc1[nH]nc(C(=O)OCCC[C@H](C)O)c1[N+](=O)[O-] ZINC000795616501 794910272 /nfs/dbraw/zinc/91/02/72/794910272.db2.gz NYUMDXAZPUCMLR-ZETCQYMHSA-N 0 0 271.273 1.198 20 5 CDBDRN Cc1cc(C(=O)OCCC[N+](=O)[O-])nn1C(C)C ZINC000860918879 794959378 /nfs/dbraw/zinc/95/93/78/794959378.db2.gz FPHITRAYMKPVBL-UHFFFAOYSA-N 0 0 255.274 1.596 20 5 CDBDRN O=C(Nc1cnn(-c2ccccc2)n1)c1c[nH]nc1[N+](=O)[O-] ZINC000801640548 794973331 /nfs/dbraw/zinc/97/33/31/794973331.db2.gz LWMZFDJUPVWTHV-UHFFFAOYSA-N 0 0 299.250 1.151 20 5 CDBDRN Cc1ccc(C(=O)OC[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000847787201 794973338 /nfs/dbraw/zinc/97/33/38/794973338.db2.gz SJMQETNVVMWSET-NSHDSACASA-N 0 0 292.291 1.538 20 5 CDBDRN COC(COCCNc1ccc([N+](=O)[O-])c(C)c1)OC ZINC000784538092 794976287 /nfs/dbraw/zinc/97/62/87/794976287.db2.gz JSRCVPYNRPAMTP-UHFFFAOYSA-N 0 0 284.312 1.951 20 5 CDBDRN C[C@@]1(COC(=O)c2ccccc2[N+](=O)[O-])CNC(=O)C1 ZINC000789788887 794977710 /nfs/dbraw/zinc/97/77/10/794977710.db2.gz PUUXHQCNDYIMKJ-ZDUSSCGKSA-N 0 0 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CO[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595523141 343089073 /nfs/dbraw/zinc/08/90/73/343089073.db2.gz IPKWMRKVPHIPAZ-SCZZXKLOSA-N 0 0 269.301 1.748 20 5 CDBDRN Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000371247186 362048576 /nfs/dbraw/zinc/04/85/76/362048576.db2.gz KYARUWHCEBYHGI-ZYHUDNBSSA-N 0 0 286.291 1.989 20 5 CDBDRN Cc1n[nH]c(C(=O)N2CC[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000077030194 342326616 /nfs/dbraw/zinc/32/66/16/342326616.db2.gz BJKOUAQEUJAXRG-YUMQZZPRSA-N 0 0 266.301 1.887 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NCC1(CO)COC1 ZINC000120454057 362066199 /nfs/dbraw/zinc/06/61/99/362066199.db2.gz FCSMZYHFLXHDLW-UHFFFAOYSA-N 0 0 252.270 1.324 20 5 CDBDRN C[C@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000078381312 342336546 /nfs/dbraw/zinc/33/65/46/342336546.db2.gz CEVKISGXOWRCPG-ZYHUDNBSSA-N 0 0 251.286 1.953 20 5 CDBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)S1 ZINC000078496106 342337811 /nfs/dbraw/zinc/33/78/11/342337811.db2.gz LYACYOWOWUBDPH-BQBZGAKWSA-N 0 0 269.330 1.297 20 5 CDBDRN CCC[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000126391279 187237016 /nfs/dbraw/zinc/23/70/16/187237016.db2.gz UZICEDOIHPRVGT-NSHDSACASA-N 0 0 252.270 1.486 20 5 CDBDRN Cc1cnc(N(C)Cc2nnc3n2CCC3)c([N+](=O)[O-])c1 ZINC000078628107 342338916 /nfs/dbraw/zinc/33/89/16/342338916.db2.gz QBOVADGSVCZQLN-UHFFFAOYSA-N 0 0 288.311 1.472 20 5 CDBDRN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cn(C)nn1 ZINC000595760874 343144214 /nfs/dbraw/zinc/14/42/14/343144214.db2.gz WFYZCPIRBZIIPQ-UHFFFAOYSA-N 0 0 275.312 1.398 20 5 CDBDRN C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595764547 343145138 /nfs/dbraw/zinc/14/51/38/343145138.db2.gz BFURIECGZXVGTR-JOYOIKCWSA-N 0 0 266.297 1.646 20 5 CDBDRN CC(C)(CO)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000294983482 199283593 /nfs/dbraw/zinc/28/35/93/199283593.db2.gz PMWFBDBQGZVBPZ-UHFFFAOYSA-N 0 0 253.302 1.998 20 5 CDBDRN O=C(N[C@H]1CCSC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000081049985 342363581 /nfs/dbraw/zinc/36/35/81/342363581.db2.gz BHHPGCNYIPOVBW-ZETCQYMHSA-N 0 0 292.320 1.706 20 5 CDBDRN CCOC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1COC ZINC000080648118 342358257 /nfs/dbraw/zinc/35/82/57/342358257.db2.gz DEUSTLZMLZQSJC-LBPRGKRZSA-N 0 0 284.312 1.551 20 5 CDBDRN Cc1cnc(CNC(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000080950552 342362168 /nfs/dbraw/zinc/36/21/68/342362168.db2.gz HGIUTGIPXOVUEW-UHFFFAOYSA-N 0 0 275.264 1.750 20 5 CDBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O ZINC000619556369 349801385 /nfs/dbraw/zinc/80/13/85/349801385.db2.gz PPKKVBMVTGQCLX-MRVPVSSYSA-N 0 0 291.263 1.071 20 5 CDBDRN Cc1nc2n(n1)C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])CC2 ZINC000596103874 343228036 /nfs/dbraw/zinc/22/80/36/343228036.db2.gz HJIFEVOIOGELMK-QMMMGPOBSA-N 0 0 290.283 1.022 20 5 CDBDRN C[C@@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCOC1 ZINC000596127128 343237682 /nfs/dbraw/zinc/23/76/82/343237682.db2.gz VJOSOXXVHFCXSA-NSHDSACASA-N 0 0 253.258 1.534 20 5 CDBDRN CC[C@@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596144681 343243005 /nfs/dbraw/zinc/24/30/05/343243005.db2.gz ICZKJZQKPKHOIP-ZJUUUORDSA-N 0 0 295.339 1.903 20 5 CDBDRN CO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1(C)C ZINC000596154127 343246696 /nfs/dbraw/zinc/24/66/96/343246696.db2.gz DJYKQXBUTFZHTI-NEPJUHHUSA-N 0 0 293.323 1.919 20 5 CDBDRN CC[C@@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596155944 343247188 /nfs/dbraw/zinc/24/71/88/343247188.db2.gz MHLBRDKTLGEPJU-NXEZZACHSA-N 0 0 293.323 1.697 20 5 CDBDRN NC(=O)c1cc(N2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596156535 343247688 /nfs/dbraw/zinc/24/76/88/343247688.db2.gz JXVIJAGWCPQOSB-AOOOYVTPSA-N 0 0 275.308 1.930 20 5 CDBDRN COC(=O)C(C)(C)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156586 343247852 /nfs/dbraw/zinc/24/78/52/343247852.db2.gz LIUMHNSRVKJEAS-UHFFFAOYSA-N 0 0 295.295 1.305 20 5 CDBDRN CC(C)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000265362664 362154243 /nfs/dbraw/zinc/15/42/43/362154243.db2.gz XVKNEZDEPLKRLQ-GFCCVEGCSA-N 0 0 291.307 1.334 20 5 CDBDRN CC(C)[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596246663 343286090 /nfs/dbraw/zinc/28/60/90/343286090.db2.gz FQXRUQYZEBNCNX-NSHDSACASA-N 0 0 281.312 1.947 20 5 CDBDRN C[C@@H]1CCC[C@]1(O)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596247276 343286660 /nfs/dbraw/zinc/28/66/60/343286660.db2.gz MPGYSKPLNRIEFN-PELKAZGASA-N 0 0 267.285 1.658 20 5 CDBDRN Cc1cc(NC[C@H]2CC[C@@H](C(N)=O)O2)c([N+](=O)[O-])s1 ZINC000596160610 343255889 /nfs/dbraw/zinc/25/58/89/343255889.db2.gz QYEXURJGCYNKFV-APPZFPTMSA-N 0 0 285.325 1.410 20 5 CDBDRN C[C@@H](O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596170762 343259115 /nfs/dbraw/zinc/25/91/15/343259115.db2.gz XDGACHDCDIANLD-ZJUUUORDSA-N 0 0 293.323 1.291 20 5 CDBDRN NS(=O)(=O)c1ccc(N2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000596231711 343261726 /nfs/dbraw/zinc/26/17/26/343261726.db2.gz SAFBNUGXQDAYRI-WCBMZHEXSA-N 0 0 297.336 1.231 20 5 CDBDRN CO[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@@H]1OC ZINC000596206650 343265823 /nfs/dbraw/zinc/26/58/23/343265823.db2.gz PQWNYDUPMQJKND-AOOOYVTPSA-N 0 0 272.326 1.815 20 5 CDBDRN CCNC(=O)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596207272 343266307 /nfs/dbraw/zinc/26/63/07/343266307.db2.gz QBHDCVXOGCSCFA-UHFFFAOYSA-N 0 0 294.311 1.414 20 5 CDBDRN CNC(=O)[C@@]1(C)CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596217078 343269163 /nfs/dbraw/zinc/26/91/63/343269163.db2.gz YTQBGLIVSKEIQF-LBPRGKRZSA-N 0 0 298.730 1.606 20 5 CDBDRN NC(=O)c1cc(N2CC([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000596223023 343271203 /nfs/dbraw/zinc/27/12/03/343271203.db2.gz KYEBYNUMMGOSEU-VIFPVBQESA-N 0 0 291.307 1.166 20 5 CDBDRN CCN(CCOCCO)c1cc(C)sc1[N+](=O)[O-] ZINC000596226412 343272279 /nfs/dbraw/zinc/27/22/79/343272279.db2.gz JGVRRRYUZITNQI-UHFFFAOYSA-N 0 0 274.342 1.800 20 5 CDBDRN CC[C@]1(C)CC(=O)N(Cc2onc(C)c2[N+](=O)[O-])C1=O ZINC000596265634 343279813 /nfs/dbraw/zinc/27/98/13/343279813.db2.gz VDSXUJKPUDCMGG-GFCCVEGCSA-N 0 0 281.268 1.566 20 5 CDBDRN Cc1nn(C)c(NCCN2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596431554 343319663 /nfs/dbraw/zinc/31/96/63/343319663.db2.gz OZJZIPYJGKHNGM-VHSXEESVSA-N 0 0 297.359 1.158 20 5 CDBDRN CNc1nc(C(=O)N[C@H]2C[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000456037392 362165664 /nfs/dbraw/zinc/16/56/64/362165664.db2.gz GGAUHSUDIDACDT-FSPLSTOPSA-N 0 0 286.238 1.415 20 5 CDBDRN Cc1nnc(CN(C)c2ncc([N+](=O)[O-])s2)o1 ZINC000596445095 343323358 /nfs/dbraw/zinc/32/33/58/343323358.db2.gz VIFPUWYZBSGJPJ-UHFFFAOYSA-N 0 0 255.259 1.379 20 5 CDBDRN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C1CCCC1 ZINC000596486190 343328642 /nfs/dbraw/zinc/32/86/42/343328642.db2.gz VEGJNORJCFABJN-CYBMUJFWSA-N 0 0 295.339 1.868 20 5 CDBDRN NC(=O)c1ccnc(NCCC2CC2)c1[N+](=O)[O-] ZINC000290828033 343332310 /nfs/dbraw/zinc/33/23/10/343332310.db2.gz UGXXNODDRJFEHW-UHFFFAOYSA-N 0 0 250.258 1.301 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCN2CCCC2=O)c1 ZINC000088722866 342387041 /nfs/dbraw/zinc/38/70/41/342387041.db2.gz DYDVDIQIZUDPPZ-UHFFFAOYSA-N 0 0 277.324 1.962 20 5 CDBDRN CC[C@@H](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596415300 343315797 /nfs/dbraw/zinc/31/57/97/343315797.db2.gz HNHLMLPFWMKQLW-MRVPVSSYSA-N 0 0 266.301 1.359 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2COCCO2)c1 ZINC000596458976 343316809 /nfs/dbraw/zinc/31/68/09/343316809.db2.gz ZSHMGAJKQIFIFU-LLVKDONJSA-N 0 0 266.297 1.755 20 5 CDBDRN O=C1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000596460715 343317488 /nfs/dbraw/zinc/31/74/88/343317488.db2.gz ULDAQNYZNICUJF-BDAKNGLRSA-N 0 0 281.337 1.761 20 5 CDBDRN O=C1CCCN1C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000596526095 343334626 /nfs/dbraw/zinc/33/46/26/343334626.db2.gz IKOCSBKGAGBMMN-LLVKDONJSA-N 0 0 290.323 1.439 20 5 CDBDRN CC1(C)CCC(O)(CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000596513480 343339586 /nfs/dbraw/zinc/33/95/86/343339586.db2.gz YOHSEALOLSSUGA-UHFFFAOYSA-N 0 0 295.343 1.541 20 5 CDBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3C[C@H](O)C3)cc2N1 ZINC000596556852 343342515 /nfs/dbraw/zinc/34/25/15/343342515.db2.gz WHNOWWCWRDRSNP-KYZUINATSA-N 0 0 277.280 1.415 20 5 CDBDRN Cc1nc(N2C[C@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000596541417 343346360 /nfs/dbraw/zinc/34/63/60/343346360.db2.gz KMNCTMJPQRVBEV-ZANVPECISA-N 0 0 265.313 1.753 20 5 CDBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000596544437 343347069 /nfs/dbraw/zinc/34/70/69/343347069.db2.gz OJRTUANRPYLZRU-PRHODGIISA-N 0 0 269.276 1.584 20 5 CDBDRN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000090884203 342397653 /nfs/dbraw/zinc/39/76/53/342397653.db2.gz JMDQMXRPIPFKSU-MFKMUULPSA-N 0 0 290.323 1.713 20 5 CDBDRN C[C@H](c1ccccc1)[C@H](O)CNc1ncc([N+](=O)[O-])cn1 ZINC000596547761 343348163 /nfs/dbraw/zinc/34/81/63/343348163.db2.gz JZSDSFSSHQJAQZ-ZWNOBZJWSA-N 0 0 288.307 1.961 20 5 CDBDRN C[C@H](c1ccccc1)[C@H](O)CNc1c([N+](=O)[O-])ncn1C ZINC000596547753 343348317 /nfs/dbraw/zinc/34/83/17/343348317.db2.gz JZCXBYIFFAFZLQ-ZYHUDNBSSA-N 0 0 290.323 1.905 20 5 CDBDRN COC[C@@H](OC)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000596595929 343350880 /nfs/dbraw/zinc/35/08/80/343350880.db2.gz JBLWDDNLCLKBSP-SNVBAGLBSA-N 0 0 294.267 1.298 20 5 CDBDRN CNc1nc(C(=O)NCC2(SC)CC2)ccc1[N+](=O)[O-] ZINC000456031684 362171193 /nfs/dbraw/zinc/17/11/93/362171193.db2.gz SHPBSOVHBWBZJW-UHFFFAOYSA-N 0 0 296.352 1.657 20 5 CDBDRN CC(C)CN(c1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000290455074 197713907 /nfs/dbraw/zinc/71/39/07/197713907.db2.gz DRDNQDDDLYUAKF-UHFFFAOYSA-N 0 0 278.312 1.714 20 5 CDBDRN Cc1nn(C)c(C)c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000138068204 342432982 /nfs/dbraw/zinc/43/29/82/342432982.db2.gz IKSJRJXKRBEBCG-UHFFFAOYSA-N 0 0 292.299 1.170 20 5 CDBDRN O=C(Nc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])n[nH]1 ZINC000140250076 342434122 /nfs/dbraw/zinc/43/41/22/342434122.db2.gz OZLLLUWBJXUTGI-UHFFFAOYSA-N 0 0 290.235 1.341 20 5 CDBDRN COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000142999997 342434373 /nfs/dbraw/zinc/43/43/73/342434373.db2.gz HPMBHRACGUZJCY-UHFFFAOYSA-N 0 0 287.275 1.928 20 5 CDBDRN CN(C)C(=O)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000139523941 342443994 /nfs/dbraw/zinc/44/39/94/342443994.db2.gz WRXQZIJCMOGNTR-VMPITWQZSA-N 0 0 291.307 1.203 20 5 CDBDRN C[C@H]1OCC[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000092300334 342414514 /nfs/dbraw/zinc/41/45/14/342414514.db2.gz YYSWJOJVACGURX-SKDRFNHKSA-N 0 0 264.281 1.983 20 5 CDBDRN COC(=O)[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130331672 346939032 /nfs/dbraw/zinc/93/90/32/346939032.db2.gz SVRWCZJRONSTIK-AWEZNQCLSA-N 0 0 292.291 1.666 20 5 CDBDRN C[C@@H]1[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000436980739 362224145 /nfs/dbraw/zinc/22/41/45/362224145.db2.gz OUBZNRLWJRQNHW-MWLCHTKSSA-N 0 0 293.323 1.513 20 5 CDBDRN Cc1nnc(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000597274947 343495699 /nfs/dbraw/zinc/49/56/99/343495699.db2.gz ZYWJECSHETVBAB-UHFFFAOYSA-N 0 0 287.279 1.153 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)C[C@H]2CC(=O)N2)cc1[N+](=O)[O-] ZINC000597348079 343517963 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(C2CCC2)C1 ZINC000341296348 357223872 /nfs/dbraw/zinc/22/38/72/357223872.db2.gz JJZCTHHLXFFKGW-UHFFFAOYSA-N 0 0 278.312 1.358 20 5 CDBDRN CCN(C[C@@H](C)O)C(=O)c1ccccc1[N+](=O)[O-] ZINC000341335705 357227690 /nfs/dbraw/zinc/22/76/90/357227690.db2.gz IKQPQHMGDRIXHK-SECBINFHSA-N 0 0 252.270 1.438 20 5 CDBDRN Cc1nnc(COc2ccc([N+](=O)[O-])c(CO)c2)n1C ZINC000432311153 357235039 /nfs/dbraw/zinc/23/50/39/357235039.db2.gz FENGDLCORHUCJS-UHFFFAOYSA-N 0 0 278.268 1.103 20 5 CDBDRN CC[C@](C)(OC)c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000290620154 357234985 /nfs/dbraw/zinc/23/49/85/357234985.db2.gz ZARLXNNHDHLSDT-LBPRGKRZSA-N 0 0 295.299 1.689 20 5 CDBDRN Cc1ccc(C[C@@H](CO)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341358677 357237063 /nfs/dbraw/zinc/23/70/63/357237063.db2.gz CFUJNQWBLFICFA-LBPRGKRZSA-N 0 0 290.323 1.652 20 5 CDBDRN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000408074970 357293160 /nfs/dbraw/zinc/29/31/60/357293160.db2.gz XZGZGWFWEITQEL-DTWKUNHWSA-N 0 0 283.353 1.821 20 5 CDBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC1(O)CCC1 ZINC000341385270 357244409 /nfs/dbraw/zinc/24/44/09/357244409.db2.gz STZIDMOJVXWFPL-UHFFFAOYSA-N 0 0 276.248 1.106 20 5 CDBDRN CCN(C[C@@H](C)O)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000341376859 357244978 /nfs/dbraw/zinc/24/49/78/357244978.db2.gz ANNRVKNVDMAALD-SSDOTTSWSA-N 0 0 285.275 1.159 20 5 CDBDRN CC(=O)c1ccc(OCC(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC000119082471 357264265 /nfs/dbraw/zinc/26/42/65/357264265.db2.gz QMPPQQBDPCZSJN-UHFFFAOYSA-N 0 0 280.280 1.701 20 5 CDBDRN CS[C@H](C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181250557 357328211 /nfs/dbraw/zinc/32/82/11/357328211.db2.gz OZNXNIYIGLRUFY-SSDOTTSWSA-N 0 0 269.326 1.658 20 5 CDBDRN CCN(CC)C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000181815336 357382364 /nfs/dbraw/zinc/38/23/64/357382364.db2.gz DIVKHNLBNGWSMQ-VIFPVBQESA-N 0 0 254.290 1.529 20 5 CDBDRN CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360528543 357416693 /nfs/dbraw/zinc/41/66/93/357416693.db2.gz MKCABYRCPLJJKZ-WCQYABFASA-N 0 0 278.308 1.944 20 5 CDBDRN CC(=O)C1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000294071997 198896182 /nfs/dbraw/zinc/89/61/82/198896182.db2.gz NHCVVXWWMRFSGE-UHFFFAOYSA-N 0 0 276.292 1.922 20 5 CDBDRN C[C@]1(O)CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286566090 357467766 /nfs/dbraw/zinc/46/77/66/357467766.db2.gz RDGVFNYOGOVRDP-LBPRGKRZSA-N 0 0 294.336 1.951 20 5 CDBDRN COc1cc(CN2CCC[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000184234217 357480497 /nfs/dbraw/zinc/48/04/97/357480497.db2.gz GTONGLPKKLQULQ-JTQLQIEISA-N 0 0 284.287 1.699 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](F)C1 ZINC000334338775 357568724 /nfs/dbraw/zinc/56/87/24/357568724.db2.gz ZHOGNNZZCDUBGE-YUMQZZPRSA-N 0 0 255.249 1.554 20 5 CDBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCS1 ZINC000334375712 357573238 /nfs/dbraw/zinc/57/32/38/357573238.db2.gz DTFPMKHVVIQNED-VIFPVBQESA-N 0 0 283.353 1.901 20 5 CDBDRN C/C=C/C[C@H](CO)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000185546317 357554857 /nfs/dbraw/zinc/55/48/57/357554857.db2.gz RMCLJLCMENMAPT-QAVQXKDTSA-N 0 0 293.323 1.721 20 5 CDBDRN Cc1cc(F)c(NC(=O)NCC(C)(C)O)cc1[N+](=O)[O-] ZINC000283673596 357587993 /nfs/dbraw/zinc/58/79/93/357587993.db2.gz FDCUKSIVUHHFCV-UHFFFAOYSA-N 0 0 285.275 1.935 20 5 CDBDRN CC[C@H](CO)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000294124622 198918501 /nfs/dbraw/zinc/91/85/01/198918501.db2.gz OEHGSHGVSLWGEN-MRVPVSSYSA-N 0 0 259.693 1.850 20 5 CDBDRN COC(=O)c1cc(C)nc(N[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000283757232 357600784 /nfs/dbraw/zinc/60/07/84/357600784.db2.gz MGIBRQPWSCOMHU-ZETCQYMHSA-N 0 0 283.284 1.268 20 5 CDBDRN Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000360646138 357662237 /nfs/dbraw/zinc/66/22/37/357662237.db2.gz CALDKWZANICAMD-ZJUUUORDSA-N 0 0 296.327 1.155 20 5 CDBDRN Cc1cc(C(=O)N2C[C@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000360859641 357722506 /nfs/dbraw/zinc/72/25/06/357722506.db2.gz OBLVYKDBVLPQJL-JQWIXIFHSA-N 0 0 278.308 1.604 20 5 CDBDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000187335398 357756032 /nfs/dbraw/zinc/75/60/32/357756032.db2.gz QEBONSMDPMAVEG-ONGXEEELSA-N 0 0 296.327 1.641 20 5 CDBDRN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1cccnc1 ZINC000361095186 357797495 /nfs/dbraw/zinc/79/74/95/357797495.db2.gz HAHABQIZROKBRH-SECBINFHSA-N 0 0 261.285 1.574 20 5 CDBDRN C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1C ZINC000408085697 357817757 /nfs/dbraw/zinc/81/77/57/357817757.db2.gz BZRBKCMUQPQJSH-ZJUUUORDSA-N 0 0 293.323 1.465 20 5 CDBDRN CC(C)(O)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000264665300 357919994 /nfs/dbraw/zinc/91/99/94/357919994.db2.gz MYKSRTFKRCXHQT-UHFFFAOYSA-N 0 0 293.323 1.670 20 5 CDBDRN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000294453852 199045801 /nfs/dbraw/zinc/04/58/01/199045801.db2.gz WAVLACUFFXBNIV-YMTOWFKASA-N 0 0 293.323 1.458 20 5 CDBDRN CC(=O)NCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188909496 357950770 /nfs/dbraw/zinc/95/07/70/357950770.db2.gz IGGRDCWJSXCQFI-UHFFFAOYSA-N 0 0 293.323 1.584 20 5 CDBDRN C[C@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000188905718 357950884 /nfs/dbraw/zinc/95/08/84/357950884.db2.gz FUWQGYHZGPYXGW-WDEREUQCSA-N 0 0 280.328 1.876 20 5 CDBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1CO ZINC000189505108 358019284 /nfs/dbraw/zinc/01/92/84/358019284.db2.gz BWCXCVDNFVJURM-YUMQZZPRSA-N 0 0 270.310 1.499 20 5 CDBDRN C[C@@H](C[S@@](C)=O)Nc1c(F)cccc1[N+](=O)[O-] ZINC000286910028 358026186 /nfs/dbraw/zinc/02/61/86/358026186.db2.gz POTDOVSUYRGCGI-BWKAKNAASA-N 0 0 260.290 1.913 20 5 CDBDRN Cc1noc(OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000337401068 358026236 /nfs/dbraw/zinc/02/62/36/358026236.db2.gz HJFYOFYFNOKDPX-UHFFFAOYSA-N 0 0 292.251 1.612 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC1(F)F ZINC000294555699 199083948 /nfs/dbraw/zinc/08/39/48/199083948.db2.gz SOWXRFVNMVICCT-SECBINFHSA-N 0 0 286.234 1.875 20 5 CDBDRN CC1(C)[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C[C@@H]1O ZINC000286966748 358046989 /nfs/dbraw/zinc/04/69/89/358046989.db2.gz SHVVCQNDQCBUNY-MNOVXSKESA-N 0 0 251.286 1.748 20 5 CDBDRN CC1(C)CC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000286941018 358038635 /nfs/dbraw/zinc/03/86/35/358038635.db2.gz FDWYRXTYRONXON-SECBINFHSA-N 0 0 265.269 1.614 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCO ZINC000191337703 358127949 /nfs/dbraw/zinc/12/79/49/358127949.db2.gz XKNPTYNNHJRFGD-UHFFFAOYSA-N 0 0 267.285 1.716 20 5 CDBDRN Cc1c(CC(=O)N[C@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000135308788 358168751 /nfs/dbraw/zinc/16/87/51/358168751.db2.gz FHBQCHHODBKYGB-JQWIXIFHSA-N 0 0 278.308 1.739 20 5 CDBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)O)cc1[N+](=O)[O-] ZINC000175958617 188974564 /nfs/dbraw/zinc/97/45/64/188974564.db2.gz XOMGUPYMOOSOFL-UHFFFAOYSA-N 0 0 297.267 1.312 20 5 CDBDRN CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)O1 ZINC000408141118 358175406 /nfs/dbraw/zinc/17/54/06/358175406.db2.gz VKQTUHPVACCIET-JTQLQIEISA-N 0 0 281.312 1.999 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCN2CCCOCC2)s1 ZINC000192543679 358214341 /nfs/dbraw/zinc/21/43/41/358214341.db2.gz QDPJEWZEIIZXAB-UHFFFAOYSA-N 0 0 272.330 1.186 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CCCCN2)c1[N+](=O)[O-] ZINC000588847342 358239660 /nfs/dbraw/zinc/23/96/60/358239660.db2.gz OVPYOBWRJLPECY-UHFFFAOYSA-N 0 0 267.289 1.011 20 5 CDBDRN CCc1n[nH]c(C(=O)N(C)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000192825260 358239897 /nfs/dbraw/zinc/23/98/97/358239897.db2.gz NYYGTTLVQBUHNS-ZETCQYMHSA-N 0 0 284.341 1.458 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCCN1 ZINC000588847209 358239956 /nfs/dbraw/zinc/23/99/56/358239956.db2.gz BXPIKZAYAQIKNK-UHFFFAOYSA-N 0 0 265.269 1.101 20 5 CDBDRN CC[C@H](NCCNc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192828089 358240706 /nfs/dbraw/zinc/24/07/06/358240706.db2.gz ICGDXVPOFQAFPR-JTQLQIEISA-N 0 0 281.312 1.548 20 5 CDBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)nn1 ZINC000072281605 358260687 /nfs/dbraw/zinc/26/06/87/358260687.db2.gz COFQQVZHOBMIIY-UHFFFAOYSA-N 0 0 296.674 1.264 20 5 CDBDRN C[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000193619818 358309319 /nfs/dbraw/zinc/30/93/19/358309319.db2.gz MKLZUUYORVOERE-IUCAKERBSA-N 0 0 279.296 1.956 20 5 CDBDRN CN(Cc1nc[nH]n1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193980754 358335560 /nfs/dbraw/zinc/33/55/60/358335560.db2.gz GIDOXFAGLRCFII-UHFFFAOYSA-N 0 0 292.255 1.253 20 5 CDBDRN Cc1nc(N(C)[C@H]2CC[C@H](O)CC2)ncc1[N+](=O)[O-] ZINC000294856729 199217090 /nfs/dbraw/zinc/21/70/90/199217090.db2.gz CQZMJALLGIHGSI-MGCOHNPYSA-N 0 0 266.301 1.433 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000287279279 358365209 /nfs/dbraw/zinc/36/52/09/358365209.db2.gz CTXTVLFPAQELHN-UWVGGRQHSA-N 0 0 296.352 1.818 20 5 CDBDRN O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])s1 ZINC000176015841 358382665 /nfs/dbraw/zinc/38/26/65/358382665.db2.gz HQUUPKPUPPHDHU-JGVFFNPUSA-N 0 0 268.294 1.323 20 5 CDBDRN COCC1(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000293765938 366441376 /nfs/dbraw/zinc/44/13/76/366441376.db2.gz AISVGBHMOXVEDE-UHFFFAOYSA-N 0 0 281.312 1.860 20 5 CDBDRN CO[C@@H](C)CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC000195435690 358431407 /nfs/dbraw/zinc/43/14/07/358431407.db2.gz NVKOARKNMKINJD-VIFPVBQESA-N 0 0 289.309 1.647 20 5 CDBDRN CC[C@H](CO)N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000294897831 199237137 /nfs/dbraw/zinc/23/71/37/199237137.db2.gz HXDWJCJCTKWCEA-SNVBAGLBSA-N 0 0 293.323 1.687 20 5 CDBDRN C[C@@H]1OCC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000149994715 358541474 /nfs/dbraw/zinc/54/14/74/358541474.db2.gz MCRLIDLQOVWLNN-IONNQARKSA-N 0 0 265.269 1.283 20 5 CDBDRN COc1cccc(N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364898406 358543093 /nfs/dbraw/zinc/54/30/93/358543093.db2.gz SCGMKIDMECCSJP-VIFPVBQESA-N 0 0 293.279 1.244 20 5 CDBDRN COc1cccc(N2CC[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000299900241 358679802 /nfs/dbraw/zinc/67/98/02/358679802.db2.gz 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366511405 /nfs/dbraw/zinc/51/14/05/366511405.db2.gz YQJBLDZFJWDSTG-MWLCHTKSSA-N 0 0 294.307 1.901 20 5 CDBDRN Cn1cnnc1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439834 358877846 /nfs/dbraw/zinc/87/78/46/358877846.db2.gz IMIXJXRYOKAEFU-UHFFFAOYSA-N 0 0 281.703 1.667 20 5 CDBDRN COCCOC[C@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000296375724 199870451 /nfs/dbraw/zinc/87/04/51/199870451.db2.gz VZBXBUAWWOTAAO-JTQLQIEISA-N 0 0 289.259 1.137 20 5 CDBDRN COC(C)(C)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332681090 358918298 /nfs/dbraw/zinc/91/82/98/358918298.db2.gz FBWVDMIGNBFNCJ-UHFFFAOYSA-N 0 0 293.323 1.690 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCOC1 ZINC000341146882 366509646 /nfs/dbraw/zinc/50/96/46/366509646.db2.gz QURRWUZNWIOWEX-LLVKDONJSA-N 0 0 294.307 1.854 20 5 CDBDRN Cc1nc(N[C@H](C)CO[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000151529884 358966588 /nfs/dbraw/zinc/96/65/88/358966588.db2.gz SPTKAEPCDUWLEP-MWLCHTKSSA-N 0 0 281.312 1.904 20 5 CDBDRN 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CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(OC)OC ZINC000277621833 374799469 /nfs/dbraw/zinc/79/94/69/374799469.db2.gz XEPRKZLDLPTUMP-GFCCVEGCSA-N 0 0 296.323 1.651 20 5 CDBDRN CO[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000266706252 374819467 /nfs/dbraw/zinc/81/94/67/374819467.db2.gz QPYBCAXVQXHIOQ-CYBMUJFWSA-N 0 0 280.324 1.925 20 5 CDBDRN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])CCS1(=O)=O ZINC000277224394 374777914 /nfs/dbraw/zinc/77/79/14/374777914.db2.gz SAPRKQISPRLGGN-VIFPVBQESA-N 0 0 285.325 1.003 20 5 CDBDRN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000277272538 374780138 /nfs/dbraw/zinc/78/01/38/374780138.db2.gz RTLRNBHKCZPIDG-JEOXALJRSA-N 0 0 282.365 1.938 20 5 CDBDRN COCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277415999 374786239 /nfs/dbraw/zinc/78/62/39/374786239.db2.gz IEMRPOLCPPNZCD-VIFPVBQESA-N 0 0 282.296 1.758 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCC1(N2CCOCC2)CC1 ZINC000277465776 374788365 /nfs/dbraw/zinc/78/83/65/374788365.db2.gz PNJSCXPEOVRLOG-UHFFFAOYSA-N 0 0 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390966520 /nfs/dbraw/zinc/96/65/20/390966520.db2.gz DFOMTLMGAOQSQC-UHFFFAOYSA-N 0 0 296.233 1.569 20 5 CDBDRN O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H](O)[C@H](CO)C1 ZINC000396866789 390998276 /nfs/dbraw/zinc/99/82/76/390998276.db2.gz VGQOCSZEDBEKSO-GZMMTYOYSA-N 0 0 286.715 1.428 20 5 CDBDRN CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000458109568 391099658 /nfs/dbraw/zinc/09/96/58/391099658.db2.gz FMYPWDLAAXIDEG-JGVFFNPUSA-N 0 0 252.274 1.103 20 5 CDBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H](C)N1CCOCC1 ZINC000413125391 391162748 /nfs/dbraw/zinc/16/27/48/391162748.db2.gz QOUHNMJCCXBLFD-UWVGGRQHSA-N 0 0 298.318 1.650 20 5 CDBDRN O=C1CCCCN1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413137996 391164160 /nfs/dbraw/zinc/16/41/60/391164160.db2.gz ZNJLSLUYMUPRMW-UHFFFAOYSA-N 0 0 296.302 1.943 20 5 CDBDRN COc1cccc(C(=O)NCc2ccc[nH]2)c1[N+](=O)[O-] ZINC000192647277 533413011 /nfs/dbraw/zinc/41/30/11/533413011.db2.gz BEOFBCVQZSVMBF-UHFFFAOYSA-N 0 0 275.264 1.862 20 5 CDBDRN 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C[C@H]1CCCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000186453856 391301014 /nfs/dbraw/zinc/30/10/14/391301014.db2.gz QVGPOCSXRGBTHD-VIFPVBQESA-N 0 0 266.301 1.591 20 5 CDBDRN Cc1nn(C)c(C(=O)Nc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000438954943 391357269 /nfs/dbraw/zinc/35/72/69/391357269.db2.gz BMHCDPJIZHDTTN-UHFFFAOYSA-N 0 0 276.252 1.595 20 5 CDBDRN CN(C)C(=O)O[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000295068895 391381681 /nfs/dbraw/zinc/38/16/81/391381681.db2.gz ZONIKVZSMCPHSV-SNVBAGLBSA-N 0 0 294.311 1.454 20 5 CDBDRN O=C(NC1CC1)N[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000282070937 391461956 /nfs/dbraw/zinc/46/19/56/391461956.db2.gz ZALKYOZZAFXGEK-MRVPVSSYSA-N 0 0 297.340 1.092 20 5 CDBDRN C[C@@H]1CSCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000191251949 391463324 /nfs/dbraw/zinc/46/33/24/391463324.db2.gz MKEICHRBPJBSIL-VIFPVBQESA-N 0 0 284.341 1.003 20 5 CDBDRN Cc1cccc([C@H](O)CNc2c([N+](=O)[O-])ncn2C)c1 ZINC000268976901 391476322 /nfs/dbraw/zinc/47/63/22/391476322.db2.gz 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/nfs/dbraw/zinc/72/79/83/391727983.db2.gz LGNGDRJDFMYBGR-SECBINFHSA-N 0 0 264.285 1.331 20 5 CDBDRN CCCN(CC(=O)OC)c1ncc([N+](=O)[O-])s1 ZINC000189692964 130010163 /nfs/dbraw/zinc/01/01/63/130010163.db2.gz RAJLQEMAHCNPOL-UHFFFAOYSA-N 0 0 259.287 1.441 20 5 CDBDRN C[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000189843446 130029070 /nfs/dbraw/zinc/02/90/70/130029070.db2.gz WBBWIQMRNHWJEC-GFCCVEGCSA-N 0 0 281.268 1.460 20 5 CDBDRN C[C@H]1CCSCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000190009507 130050224 /nfs/dbraw/zinc/05/02/24/130050224.db2.gz VCJIHQXRYXFEGN-JTQLQIEISA-N 0 0 298.368 1.535 20 5 CDBDRN CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000190468021 130107162 /nfs/dbraw/zinc/10/71/62/130107162.db2.gz WALXYZPCEHKDGK-RKDXNWHRSA-N 0 0 296.327 1.160 20 5 CDBDRN Cc1nnsc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000191425751 130233852 /nfs/dbraw/zinc/23/38/52/130233852.db2.gz FTGCMEFZHLGOMK-UHFFFAOYSA-N 0 0 290.304 1.958 20 5 CDBDRN CC[C@@H](O)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000452160912 391784146 /nfs/dbraw/zinc/78/41/46/391784146.db2.gz DNPLHHPHXSWNLL-GFCCVEGCSA-N 0 0 294.307 1.477 20 5 CDBDRN CCN(C)C(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000191565660 130256099 /nfs/dbraw/zinc/25/60/99/130256099.db2.gz JCGQFJPDDUWLDC-QMMMGPOBSA-N 0 0 297.286 1.331 20 5 CDBDRN CCNC(=O)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452185877 391828004 /nfs/dbraw/zinc/82/80/04/391828004.db2.gz SCQNJXKWGFODTA-VIFPVBQESA-N 0 0 279.296 1.298 20 5 CDBDRN COC1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CCCC1 ZINC000452183827 391828352 /nfs/dbraw/zinc/82/83/52/391828352.db2.gz SZWZYHVBKOMLIV-UHFFFAOYSA-N 0 0 281.312 1.622 20 5 CDBDRN CC[C@@](C)(CCO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000182753241 391834028 /nfs/dbraw/zinc/83/40/28/391834028.db2.gz GFRKKLKDGRIVMQ-NSHDSACASA-N 0 0 256.258 1.469 20 5 CDBDRN CC[C@@H]1C(=O)NCCN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000110680151 391841517 /nfs/dbraw/zinc/84/15/17/391841517.db2.gz WXRJOQZGUPEJJU-LLVKDONJSA-N 0 0 291.307 1.512 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H](CO)SC ZINC000192614438 130476440 /nfs/dbraw/zinc/47/64/40/130476440.db2.gz SRXYGQAUUBWUBZ-VXNVDRBHSA-N 0 0 288.373 1.644 20 5 CDBDRN C[C@H]1CC[C@](CO)(N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243039 391907361 /nfs/dbraw/zinc/90/73/61/391907361.db2.gz VOBKDLHOQTWZMU-GWCFXTLKSA-N 0 0 282.344 1.311 20 5 CDBDRN CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1=O ZINC000495263506 391908233 /nfs/dbraw/zinc/90/82/33/391908233.db2.gz UGCCPKDNWASRFT-SNVBAGLBSA-N 0 0 295.314 1.787 20 5 CDBDRN O=C(NCc1nc2ccccc2[nH]1)c1[nH]ncc1[N+](=O)[O-] ZINC000132988069 391909279 /nfs/dbraw/zinc/90/92/79/391909279.db2.gz WJVBPJXGIYMRCT-UHFFFAOYSA-N 0 0 286.251 1.124 20 5 CDBDRN Cc1ccc(C(=O)OC[C@@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495792096 391914870 /nfs/dbraw/zinc/91/48/70/391914870.db2.gz GUHORXZGTYEZRP-JTQLQIEISA-N 0 0 294.263 1.511 20 5 CDBDRN CC[C@H](O)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496749511 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284.337 1.937 20 5 CDBDRN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171202171 147788215 /nfs/dbraw/zinc/78/82/15/147788215.db2.gz DUYPIALEKMBZDL-WDEREUQCSA-N 0 0 290.275 1.293 20 5 CDBDRN Nc1c(C(=O)Nc2ccc3nncn3c2)cccc1[N+](=O)[O-] ZINC000179630609 148125497 /nfs/dbraw/zinc/12/54/97/148125497.db2.gz ABDPJOHGPUTDGW-UHFFFAOYSA-N 0 0 298.262 1.472 20 5 CDBDRN COc1cc(Cn2cccn2)c([N+](=O)[O-])cc1F ZINC000183968692 148322761 /nfs/dbraw/zinc/32/27/61/148322761.db2.gz AYJFHURIEXPLTE-UHFFFAOYSA-N 0 0 251.217 1.987 20 5 CDBDRN Cc1cc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000191745857 148539720 /nfs/dbraw/zinc/53/97/20/148539720.db2.gz PXADFVWLGJZNRC-CMPLNLGQSA-N 0 0 294.307 1.125 20 5 CDBDRN CO[C@H](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000311893986 149221642 /nfs/dbraw/zinc/22/16/42/149221642.db2.gz OVZBPTCZSZPYDD-MRVPVSSYSA-N 0 0 270.260 1.889 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CN1CCOCC1 ZINC000313838921 149248110 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CS[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)C(C)(C)C ZINC000343454024 152186056 /nfs/dbraw/zinc/18/60/56/152186056.db2.gz QQVSSWGGTNKCKH-QMMMGPOBSA-N 0 0 285.373 1.987 20 5 CDBDRN CSc1cccc(C(=O)N(C)CCC(N)=O)c1[N+](=O)[O-] ZINC000343535526 152213995 /nfs/dbraw/zinc/21/39/95/152213995.db2.gz SHPREGWCBLWLML-UHFFFAOYSA-N 0 0 297.336 1.264 20 5 CDBDRN CC[C@@H](O)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000343600829 152239973 /nfs/dbraw/zinc/23/99/73/152239973.db2.gz OITUPAWANWOVFJ-SECBINFHSA-N 0 0 299.302 1.597 20 5 CDBDRN Cc1cc(NCc2cnn3ccccc23)ncc1[N+](=O)[O-] ZINC000343629143 152250155 /nfs/dbraw/zinc/25/01/55/152250155.db2.gz LDEOTYLIZBOSJT-UHFFFAOYSA-N 0 0 283.291 1.980 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2COC[C@H]2O)c1 ZINC000343641374 152254067 /nfs/dbraw/zinc/25/40/67/152254067.db2.gz ZRCLSUVPMGZZHQ-NWDGAFQWSA-N 0 0 252.270 1.099 20 5 CDBDRN CCN(CCO)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343912404 152349538 /nfs/dbraw/zinc/34/95/38/152349538.db2.gz COMOXFGWDMTJNL-UHFFFAOYSA-N 0 0 280.324 1.713 20 5 CDBDRN CC(C)CCc1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000345936639 153002176 /nfs/dbraw/zinc/00/21/76/153002176.db2.gz JGXKLCSRWWVNEY-UHFFFAOYSA-N 0 0 265.273 1.967 20 5 CDBDRN CCOc1ccc(C(=O)N(CC)CCO)cc1[N+](=O)[O-] ZINC000346461640 153198007 /nfs/dbraw/zinc/19/80/07/153198007.db2.gz NELOHKBHBTYPKI-UHFFFAOYSA-N 0 0 282.296 1.448 20 5 CDBDRN COc1nnccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346464151 153198909 /nfs/dbraw/zinc/19/89/09/153198909.db2.gz WZADZNFMWAGZSA-UHFFFAOYSA-N 0 0 274.236 1.646 20 5 CDBDRN CC(=O)c1ccc(NCCC[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000346627702 153249807 /nfs/dbraw/zinc/24/98/07/153249807.db2.gz BGYJKABJHLRVHB-LJQANCHMSA-N 0 0 284.337 1.978 20 5 CDBDRN C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346737959 153290091 /nfs/dbraw/zinc/29/00/91/153290091.db2.gz GOAJIUXTVDQYQQ-QMMMGPOBSA-N 0 0 277.284 1.490 20 5 CDBDRN CCCN(CC(N)=O)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000346929915 153351682 /nfs/dbraw/zinc/35/16/82/153351682.db2.gz ZPBFTUVRSGFGQB-UHFFFAOYSA-N 0 0 299.714 1.586 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](C3CC3)C2)n1 ZINC000375336047 292287692 /nfs/dbraw/zinc/28/76/92/292287692.db2.gz YLZVAGIPWXCZDI-LBPRGKRZSA-N 0 0 263.297 1.913 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1Cn1nc(C(C)(C)C)ccc1=O ZINC000348126770 153785459 /nfs/dbraw/zinc/78/54/59/153785459.db2.gz YNRLQNNHXIGXPS-UHFFFAOYSA-N 0 0 291.311 1.231 20 5 CDBDRN CCc1nnc(Cn2ccc(C)c([N+](=O)[O-])c2=O)o1 ZINC000349176921 154063739 /nfs/dbraw/zinc/06/37/39/154063739.db2.gz BWCQCJGSEJCSIS-UHFFFAOYSA-N 0 0 264.241 1.059 20 5 CDBDRN O=C(NCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000349179540 154063856 /nfs/dbraw/zinc/06/38/56/154063856.db2.gz BXRXBFSQLYQEKG-UHFFFAOYSA-N 0 0 282.206 1.526 20 5 CDBDRN C[C@@H]1C[C@@H](O)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000349636266 154160751 /nfs/dbraw/zinc/16/07/51/154160751.db2.gz ZXUSKELYDBPLQA-ZWNOBZJWSA-N 0 0 293.323 1.302 20 5 CDBDRN Cn1nncc1C(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000349831725 154232925 /nfs/dbraw/zinc/23/29/25/154232925.db2.gz LVFMUXMDNOVIRB-UHFFFAOYSA-N 0 0 279.281 1.093 20 5 CDBDRN CC[C@@H](C)NC(=O)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349918783 154272536 /nfs/dbraw/zinc/27/25/36/154272536.db2.gz BRGCPMUAHLXCSI-SSDOTTSWSA-N 0 0 287.703 1.937 20 5 CDBDRN CCOC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000350331869 154367026 /nfs/dbraw/zinc/36/70/26/154367026.db2.gz RVRYNQFKDOEDGU-UHFFFAOYSA-N 0 0 292.291 1.668 20 5 CDBDRN C[C@@H](CC(N)=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351602208 154594585 /nfs/dbraw/zinc/59/45/85/154594585.db2.gz HRCZEUCMWJEHSY-LURJTMIESA-N 0 0 284.247 1.119 20 5 CDBDRN Cc1ncsc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000352253862 155056334 /nfs/dbraw/zinc/05/63/34/155056334.db2.gz OUCONGCKAZLSDQ-UHFFFAOYSA-N 0 0 252.255 1.940 20 5 CDBDRN C[C@@H](O)C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000353675759 156004696 /nfs/dbraw/zinc/00/46/96/156004696.db2.gz HVOZLEREGGHUIQ-HTQZYQBOSA-N 0 0 255.274 1.060 20 5 CDBDRN Cc1cccc(C(=O)NCCc2nncn2C)c1[N+](=O)[O-] ZINC000354132617 156281377 /nfs/dbraw/zinc/28/13/77/156281377.db2.gz YRCDCUXXSPGVMO-UHFFFAOYSA-N 0 0 289.295 1.004 20 5 CDBDRN Cc1cccc(C(=O)NCCc2ccn(C)n2)c1[N+](=O)[O-] ZINC000354761342 156644561 /nfs/dbraw/zinc/64/45/61/156644561.db2.gz LTMAVNNHEBNJMC-UHFFFAOYSA-N 0 0 288.307 1.609 20 5 CDBDRN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C(F)(F)F ZINC000355729693 157205820 /nfs/dbraw/zinc/20/58/20/157205820.db2.gz FLIMLTFRXLVJKI-YFKPBYRVSA-N 0 0 292.217 1.699 20 5 CDBDRN COCCOCc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000357124897 157666870 /nfs/dbraw/zinc/66/68/70/157666870.db2.gz CICNPSVLIOJSHI-UHFFFAOYSA-N 0 0 282.256 1.146 20 5 CDBDRN Cc1ccc(S(=O)(=O)NCC2(C)CC2)c([N+](=O)[O-])c1 ZINC000358885980 158062604 /nfs/dbraw/zinc/06/26/04/158062604.db2.gz PISSUEXJMABPRW-UHFFFAOYSA-N 0 0 284.337 1.982 20 5 CDBDRN CC1(C)C[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359025328 158102910 /nfs/dbraw/zinc/10/29/10/158102910.db2.gz CMUHAWSPQPSUHS-MRVPVSSYSA-N 0 0 264.285 1.579 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1Sc1n[nH]c(COC)n1 ZINC000359585651 158297396 /nfs/dbraw/zinc/29/73/96/158297396.db2.gz FPRUTLOZCGVBCU-UHFFFAOYSA-N 0 0 298.328 1.535 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCc1ncc(C)cn1 ZINC000359607286 158307836 /nfs/dbraw/zinc/30/78/36/158307836.db2.gz ZXLXZWNRRJWBCA-UHFFFAOYSA-N 0 0 290.327 1.873 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCOCC2)nc1 ZINC000360183945 158488392 /nfs/dbraw/zinc/48/83/92/158488392.db2.gz HYHBKUUFRTZYSO-NSHDSACASA-N 0 0 267.285 1.189 20 5 CDBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000360856900 158652245 /nfs/dbraw/zinc/65/22/45/158652245.db2.gz IDMRQEOXLPJRSU-DTWKUNHWSA-N 0 0 282.271 1.434 20 5 CDBDRN C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000361243825 158770914 /nfs/dbraw/zinc/77/09/14/158770914.db2.gz KAQQHBFYALPWGM-UTUOFQBUSA-N 0 0 294.355 1.980 20 5 CDBDRN COC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000362191467 159094738 /nfs/dbraw/zinc/09/47/38/159094738.db2.gz QIDYNBLONRYWFX-ZJUUUORDSA-N 0 0 281.312 1.871 20 5 CDBDRN C[C@@H]1[C@H](CO)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362459120 159153436 /nfs/dbraw/zinc/15/34/36/159153436.db2.gz GVWUJDNBLXXJQR-ZJUUUORDSA-N 0 0 279.296 1.829 20 5 CDBDRN C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362461837 159154257 /nfs/dbraw/zinc/15/42/57/159154257.db2.gz YWVLGVSTNFBRIY-NXEZZACHSA-N 0 0 279.296 1.829 20 5 CDBDRN Cc1nc(N2CC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000362665527 159208043 /nfs/dbraw/zinc/20/80/43/159208043.db2.gz ORCNUQUSSBLVPI-NXEZZACHSA-N 0 0 251.286 1.505 20 5 CDBDRN COCCO[C@@H]1COCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000362682472 159213157 /nfs/dbraw/zinc/21/31/57/159213157.db2.gz ZSFLCYNMUDGJCA-ZYHUDNBSSA-N 0 0 297.311 1.222 20 5 CDBDRN O=[N+]([O-])c1cnc(N(CCO)CC2CCCCC2)nc1 ZINC000362696210 159216628 /nfs/dbraw/zinc/21/66/28/159216628.db2.gz BOQDXKAWPLQAQS-UHFFFAOYSA-N 0 0 280.328 1.764 20 5 CDBDRN Cc1cscc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000362921629 159268780 /nfs/dbraw/zinc/26/87/80/159268780.db2.gz HHKSBZZWTNRHJT-UHFFFAOYSA-N 0 0 280.309 1.478 20 5 CDBDRN CC[C@@H](C)[C@H](CNc1c([N+](=O)[O-])ncn1C)OC ZINC000362976476 159281589 /nfs/dbraw/zinc/28/15/89/159281589.db2.gz KMXPCAKZXFTAPD-BDAKNGLRSA-N 0 0 256.306 1.801 20 5 CDBDRN C[C@H]1C[C@H]1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982465 159284050 /nfs/dbraw/zinc/28/40/50/159284050.db2.gz LUZIHDJJIMRQDR-UWVGGRQHSA-N 0 0 275.308 1.921 20 5 CDBDRN Cc1c(C(=O)N2CC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000366917514 159408103 /nfs/dbraw/zinc/40/81/03/159408103.db2.gz PUAADCDLKUJPHB-OAHLLOKOSA-N 0 0 290.319 1.890 20 5 CDBDRN Cc1cccc(C(=O)N2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000368473228 159656647 /nfs/dbraw/zinc/65/66/47/159656647.db2.gz FMFCFJQKGVKJOA-OAHLLOKOSA-N 0 0 290.319 1.890 20 5 CDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(C2CCCC2)C1 ZINC000373710887 160222906 /nfs/dbraw/zinc/22/29/06/160222906.db2.gz KDHSMTORHPQNBM-UHFFFAOYSA-N 0 0 264.285 1.580 20 5 CDBDRN Cc1nn(C)c(NC[C@H]2COC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000378400650 160646701 /nfs/dbraw/zinc/64/67/01/160646701.db2.gz HZYCKJNRIADAMJ-JTQLQIEISA-N 0 0 296.327 1.734 20 5 CDBDRN C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049776467 287083027 /nfs/dbraw/zinc/08/30/27/287083027.db2.gz XSSAQMYUVRQBGS-SSDOTTSWSA-N 0 0 255.230 1.320 20 5 CDBDRN C[C@@H](O)[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000278356771 287114851 /nfs/dbraw/zinc/11/48/51/287114851.db2.gz JXXRMFYMPAVTQL-ZJUUUORDSA-N 0 0 277.324 1.770 20 5 CDBDRN Cc1ccc(C[NH2+]C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000284301781 196025165 /nfs/dbraw/zinc/02/51/65/196025165.db2.gz RRJRBTBQEDEUMN-UHFFFAOYSA-N 0 0 252.270 1.856 20 5 CDBDRN CC(C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000007397016 170282434 /nfs/dbraw/zinc/28/24/34/170282434.db2.gz SIERABMXOVUZPW-UHFFFAOYSA-N 0 0 294.307 1.948 20 5 CDBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000008145502 170321642 /nfs/dbraw/zinc/32/16/42/170321642.db2.gz OWMGJFDDHPSCQI-UHFFFAOYSA-N 0 0 286.291 1.832 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C2CC2)c1 ZINC000284443681 196057062 /nfs/dbraw/zinc/05/70/62/196057062.db2.gz QJWJSQUGSSGMBF-CYBMUJFWSA-N 0 0 294.307 1.494 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H](C)O)c1 ZINC000284463221 196062394 /nfs/dbraw/zinc/06/23/94/196062394.db2.gz SABMXRFKURBSEU-JTQLQIEISA-N 0 0 296.323 1.836 20 5 CDBDRN CC[C@H](C)NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000023754205 171427106 /nfs/dbraw/zinc/42/71/06/171427106.db2.gz LHSLLMADBJKLOP-IUCAKERBSA-N 0 0 267.285 1.672 20 5 CDBDRN Cc1c(NC(=O)[C@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000025499880 171459417 /nfs/dbraw/zinc/45/94/17/171459417.db2.gz FAJOOFYHTGWJPT-NSHDSACASA-N 0 0 293.323 1.562 20 5 CDBDRN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc[nH]1 ZINC000032332011 171724081 /nfs/dbraw/zinc/72/40/81/171724081.db2.gz VPBIFZSTMVBLKQ-UHFFFAOYSA-N 0 0 287.231 1.714 20 5 CDBDRN COC(=O)CCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000284941281 196160486 /nfs/dbraw/zinc/16/04/86/196160486.db2.gz ODRVXLQAKFYXNL-UHFFFAOYSA-N 0 0 296.279 1.885 20 5 CDBDRN O=C(CNc1ccc([N+](=O)[O-])c2cnccc12)NC1CC1 ZINC000035137379 172004770 /nfs/dbraw/zinc/00/47/70/172004770.db2.gz UEZPAQHGAXINJC-UHFFFAOYSA-N 0 0 286.291 1.834 20 5 CDBDRN Cc1cc(C(=O)N2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000035150133 172012866 /nfs/dbraw/zinc/01/28/66/172012866.db2.gz SXYCJDKCVYVVAA-NSHDSACASA-N 0 0 278.308 1.748 20 5 CDBDRN O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)N1CCC1 ZINC000285196150 196218454 /nfs/dbraw/zinc/21/84/54/196218454.db2.gz OLDBIXHTMQOTAV-UHFFFAOYSA-N 0 0 288.662 1.998 20 5 CDBDRN CCn1cnnc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000285769705 196393441 /nfs/dbraw/zinc/39/34/41/196393441.db2.gz LCKKIHRRYLBAPC-UHFFFAOYSA-N 0 0 291.267 1.467 20 5 CDBDRN O=[N+]([O-])c1cnc(NC[C@H](O)c2ccccc2)nc1 ZINC000040454571 174267031 /nfs/dbraw/zinc/26/70/31/174267031.db2.gz LFXMSLSIUROPFQ-NSHDSACASA-N 0 0 260.253 1.530 20 5 CDBDRN COC(=O)[C@H](CC(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000044421030 175173938 /nfs/dbraw/zinc/17/39/38/175173938.db2.gz XFNOCRBCBIUTSD-VIFPVBQESA-N 0 0 268.273 1.384 20 5 CDBDRN CCOC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000044475498 175178784 /nfs/dbraw/zinc/17/87/84/175178784.db2.gz IDRIWPKXZWVGCL-UHFFFAOYSA-N 0 0 280.280 1.620 20 5 CDBDRN CCOC(=O)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044571582 175209660 /nfs/dbraw/zinc/20/96/60/175209660.db2.gz ONZZBELJCJEYLH-UHFFFAOYSA-N 0 0 280.280 1.207 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnc2ccccc2c1 ZINC000044687586 175232941 /nfs/dbraw/zinc/23/29/41/175232941.db2.gz GYJJRYKJIBTGPU-UHFFFAOYSA-N 0 0 297.274 1.978 20 5 CDBDRN O=C(NC1CC1)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000045096511 175307701 /nfs/dbraw/zinc/30/77/01/175307701.db2.gz WIPPXIJHMQXXFI-CQSZACIVSA-N 0 0 289.335 1.838 20 5 CDBDRN CC(C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000046231165 175394769 /nfs/dbraw/zinc/39/47/69/175394769.db2.gz BAGDMCHKGSWPJG-UHFFFAOYSA-N 0 0 287.341 1.700 20 5 CDBDRN 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/nfs/dbraw/zinc/33/35/79/939333579.db2.gz QSEBBBFCOYNLOO-CQSZACIVSA-N 0 0 297.314 1.729 20 5 CDBDRN O=[N+]([O-])c1cccc(N2CCOCC(F)(F)C2)n1 ZINC001163973120 939366803 /nfs/dbraw/zinc/36/68/03/939366803.db2.gz YVIKPMCECPCFCF-UHFFFAOYSA-N 0 0 259.212 1.462 20 5 CDBDRN Cc1ccnc(N2CCC[C@@H](F)C(=O)C2)c1[N+](=O)[O-] ZINC001164018401 939383806 /nfs/dbraw/zinc/38/38/06/939383806.db2.gz HOBQKFNVKNDQDO-SECBINFHSA-N 0 0 267.260 1.806 20 5 CDBDRN COc1cc(N2CCC[C@@H](F)C(=O)C2)ncc1[N+](=O)[O-] ZINC001164024340 939387440 /nfs/dbraw/zinc/38/74/40/939387440.db2.gz MZMFDFNLKNNHPS-MRVPVSSYSA-N 0 0 283.259 1.506 20 5 CDBDRN Nc1cc(N2CC(F)(F)CC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001164034212 939391104 /nfs/dbraw/zinc/39/11/04/939391104.db2.gz VWAVSJZLWGQZSZ-SSDOTTSWSA-N 0 0 288.254 1.168 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](F)C[C@@H](CO)C1 ZINC001164037511 939391806 /nfs/dbraw/zinc/39/18/06/939391806.db2.gz PEJKZBLTDTYYMD-NXEZZACHSA-N 0 0 269.276 1.455 20 5 CDBDRN C[C@]1(CO)CCN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001164138607 939418569 /nfs/dbraw/zinc/41/85/69/939418569.db2.gz BFAZVXTWZRILTJ-NSHDSACASA-N 0 0 271.704 1.852 20 5 CDBDRN Cc1cnc(N2CCC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001164216171 939431733 /nfs/dbraw/zinc/43/17/33/939431733.db2.gz HBYLYKDEJXXPRA-PWSUYJOCSA-N 0 0 265.313 1.895 20 5 CDBDRN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H](O)[C@@H](F)CC3)nc21 ZINC001164237072 939437758 /nfs/dbraw/zinc/43/77/58/939437758.db2.gz DFXLUWZKNLZEBN-KWQFWETISA-N 0 0 294.286 1.770 20 5 CDBDRN N[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC001164316336 939452954 /nfs/dbraw/zinc/45/29/54/939452954.db2.gz BWJXVQBOSXTSHS-QMMMGPOBSA-N 0 0 292.673 1.816 20 5 CDBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@](C)(F)[C@@H](F)C1 ZINC001164334613 939458066 /nfs/dbraw/zinc/45/80/66/939458066.db2.gz UHFMRYULVXAJDB-CMPLNLGQSA-N 0 0 287.266 1.813 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(N2CC[C@](C)(O)[C@H](C)C2)n1 ZINC001164347580 939460898 /nfs/dbraw/zinc/46/08/98/939460898.db2.gz YLAVBTIHQLYAEB-PELKAZGASA-N 0 0 266.301 1.290 20 5 CDBDRN CC(C)(C)c1c[n-]c(=NOCC[NH3+])c([N+](=O)[O-])c1 ZINC001164415419 939472185 /nfs/dbraw/zinc/47/21/85/939472185.db2.gz VGAGPLLCUAFWGV-UHFFFAOYSA-N 0 0 254.290 1.590 20 5 CDBDRN COC(=O)CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001164562047 939493710 /nfs/dbraw/zinc/49/37/10/939493710.db2.gz JBTZJGAAWLFXBN-UHFFFAOYSA-N 0 0 261.237 1.728 20 5 CDBDRN CCN(CC)C(=O)[C@@H](C)Nc1cnc([N+](=O)[O-])cn1 ZINC001164643743 939501622 /nfs/dbraw/zinc/50/16/22/939501622.db2.gz XKJRFTKOQGIYFU-MRVPVSSYSA-N 0 0 267.289 1.054 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CCN(CCF)CC1 ZINC001165105042 939510748 /nfs/dbraw/zinc/51/07/48/939510748.db2.gz XGESHQUZPNTVAK-UHFFFAOYSA-N 0 0 268.292 1.390 20 5 CDBDRN Cc1ncc([N+](=O)[O-])c(N2CCC3(C[C@@H]3CCO)CC2)n1 ZINC001165256507 939534895 /nfs/dbraw/zinc/53/48/95/939534895.db2.gz DFLCTFANUNIHNB-NSHDSACASA-N 0 0 292.339 1.682 20 5 CDBDRN CN1CC[C@@H](Nc2c(Cl)nccc2[N+](=O)[O-])C1=O ZINC001166654336 939623307 /nfs/dbraw/zinc/62/33/07/939623307.db2.gz IMKHOYCKPACJQE-ZCFIWIBFSA-N 0 0 270.676 1.286 20 5 CDBDRN O=[N+]([O-])c1cnc(Cl)cc1N1C[C@@H]2C[C@H]1CO2 ZINC001166754605 939635692 /nfs/dbraw/zinc/63/56/92/939635692.db2.gz PLAAWUQORPAAQS-BQBZGAKWSA-N 0 0 255.661 1.621 20 5 CDBDRN O=C1CCC2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)O1 ZINC001166786789 939639010 /nfs/dbraw/zinc/63/90/10/939639010.db2.gz PZMOJXQFFUPOTH-UHFFFAOYSA-N 0 0 277.280 1.666 20 5 CDBDRN CCOCCN(CCOCC)c1cccc([N+](=O)[O-])n1 ZINC001166877983 939646530 /nfs/dbraw/zinc/64/65/30/939646530.db2.gz OWYGLGGTMOBYEP-UHFFFAOYSA-N 0 0 283.328 1.869 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC2(CCO2)C1 ZINC001166940015 939654567 /nfs/dbraw/zinc/65/45/67/939654567.db2.gz PDNTXEBGOMUXNI-UHFFFAOYSA-N 0 0 255.661 1.622 20 5 CDBDRN CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C1COC1 ZINC001166941999 939654890 /nfs/dbraw/zinc/65/48/90/939654890.db2.gz GRPIBDWPUGFPDK-UHFFFAOYSA-N 0 0 281.268 1.002 20 5 CDBDRN C[C@@H]1C[C@H](O)CCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001166964298 939663132 /nfs/dbraw/zinc/66/31/32/939663132.db2.gz PGYIIUXWACVXBD-VXNVDRBHSA-N 0 0 287.703 1.231 20 5 CDBDRN C[C@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001166966632 939663395 /nfs/dbraw/zinc/66/33/95/939663395.db2.gz GWKCASPWRJIRHT-YUMQZZPRSA-N 0 0 287.703 1.495 20 5 CDBDRN Cc1c(C)c(N2CC[C@H]3CNC(=O)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001166980702 939666449 /nfs/dbraw/zinc/66/64/49/939666449.db2.gz HSKNHTDGVCZGHS-QWRGUYRKSA-N 0 0 290.323 1.179 20 5 CDBDRN Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)n(CCO)n1 ZINC001209932377 940652158 /nfs/dbraw/zinc/65/21/58/940652158.db2.gz OHTDQCYAUGZEMI-UHFFFAOYSA-N 0 0 277.284 1.418 20 5 CDBDRN CCn1nccc1Nc1cnc(OC)c([N+](=O)[O-])c1 ZINC001210134543 940665249 /nfs/dbraw/zinc/66/52/49/940665249.db2.gz IKLAQTVYUBNZOB-UHFFFAOYSA-N 0 0 263.257 1.958 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1Nc1nccn2cnnc12 ZINC001210444624 940691584 /nfs/dbraw/zinc/69/15/84/940691584.db2.gz JXPIHRQYYMTTJS-UHFFFAOYSA-N 0 0 286.251 1.785 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1Nc1cncc(N)n1 ZINC001210445373 940691764 /nfs/dbraw/zinc/69/17/64/940691764.db2.gz WLBHTQKXBXRJJB-UHFFFAOYSA-N 0 0 261.241 1.719 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1Nc1cnncc1N ZINC001210443763 940691847 /nfs/dbraw/zinc/69/18/47/940691847.db2.gz DNLQAFRBJLLZEK-UHFFFAOYSA-N 0 0 261.241 1.719 20 5 CDBDRN O=[N+]([O-])c1ccc2c(c1)C[C@@H](OC[C@H]1COCCO1)C2 ZINC001210610539 940702421 /nfs/dbraw/zinc/70/24/21/940702421.db2.gz BLGHCJNIMCKFGR-UONOGXRCSA-N 0 0 279.292 1.494 20 5 CDBDRN Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])n(CCO)n1 ZINC001210951491 940723467 /nfs/dbraw/zinc/72/34/67/940723467.db2.gz HNIGNZFRZKTDCH-UHFFFAOYSA-N 0 0 280.259 1.975 20 5 CDBDRN Nc1[nH]c(=O)[nH]c(=O)c1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190693 940738585 /nfs/dbraw/zinc/73/85/85/940738585.db2.gz ZWZXVFRBQUXNCN-UHFFFAOYSA-N 0 0 281.203 1.261 20 5 CDBDRN COC(=O)c1ncn(-c2ccc(C)c([N+](=O)[O-])c2)c1N ZINC001213665846 940782307 /nfs/dbraw/zinc/78/23/07/940782307.db2.gz OPPMFZGXPDUGSR-UHFFFAOYSA-N 0 0 276.252 1.458 20 5 CDBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCOC1 ZINC000401448277 940869607 /nfs/dbraw/zinc/86/96/07/940869607.db2.gz JROAMGWTUQRSTN-SNVBAGLBSA-N 0 0 282.271 1.985 20 5 CDBDRN O=c1[nH]cc(Nc2c(F)ccc([N+](=O)[O-])c2F)c(=O)[nH]1 ZINC001215289498 940870931 /nfs/dbraw/zinc/87/09/31/940870931.db2.gz KYSDGAQWLMQXIZ-UHFFFAOYSA-N 0 0 284.178 1.818 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1O[C@H]1CNCC1(F)F ZINC001218233254 941047052 /nfs/dbraw/zinc/04/70/52/941047052.db2.gz YLPJBZZRSCENJN-VIFPVBQESA-N 0 0 258.224 1.889 20 5 CDBDRN O=[N+]([O-])c1ccc(OC2CC(O)C2)c([N+](=O)[O-])c1 ZINC001218257330 941049411 /nfs/dbraw/zinc/04/94/11/941049411.db2.gz NIHGMFCFOXVIPZ-UHFFFAOYSA-N 0 0 254.198 1.405 20 5 CDBDRN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H](O)C2)c1 ZINC001218367258 941210501 /nfs/dbraw/zinc/21/05/01/941210501.db2.gz ZTKWLRNYCYQEQJ-XYPYZODXSA-N 0 0 295.291 1.603 20 5 CDBDRN Cc1nccc([N+](=O)[O-])c1OC1CCC(O)CC1 ZINC001218371715 941211143 /nfs/dbraw/zinc/21/11/43/941211143.db2.gz LHROGDPKPQLPRE-UHFFFAOYSA-N 0 0 252.270 1.981 20 5 CDBDRN O=[N+]([O-])c1cccc2oc(OC[C@H]3C[C@H](O)C3)nc21 ZINC001218426654 941216109 /nfs/dbraw/zinc/21/61/09/941216109.db2.gz ZLCPKIZFDDIZRZ-ZKCHVHJHSA-N 0 0 264.237 1.886 20 5 CDBDRN CC(C)[C@](C)(Nc1ncc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000311355630 941324894 /nfs/dbraw/zinc/32/48/94/941324894.db2.gz NEJHUBIFNMBMRY-NSHDSACASA-N 0 0 286.719 1.955 20 5 CDBDRN O=C(NC[C@@H](O)C1CCC1)c1cc([N+](=O)[O-])ccc1F ZINC000315926720 941467551 /nfs/dbraw/zinc/46/75/51/941467551.db2.gz WPPTZRFASAYCCP-GFCCVEGCSA-N 0 0 282.271 1.625 20 5 CDBDRN O=C1OCCC[C@@H]1OCc1cccc([N+](=O)[O-])c1 ZINC001222769209 941633145 /nfs/dbraw/zinc/63/31/45/941633145.db2.gz QYVOKXFTFVWZEZ-NSHDSACASA-N 0 0 251.238 1.817 20 5 CDBDRN Cc1ccc(CO[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC001223222296 941664797 /nfs/dbraw/zinc/66/47/97/941664797.db2.gz GTCUWILEQXWOOD-NSHDSACASA-N 0 0 251.238 1.735 20 5 CDBDRN COC(=O)c1ccc(COC[C@@H]2CCO2)c([N+](=O)[O-])c1 ZINC001223413964 941676155 /nfs/dbraw/zinc/67/61/55/941676155.db2.gz RWALCZDMHGBETA-NSHDSACASA-N 0 0 281.264 1.687 20 5 CDBDRN COc1ccc(CO[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001223514162 941683474 /nfs/dbraw/zinc/68/34/74/941683474.db2.gz OFIDIUFXTZNVQN-CYBMUJFWSA-N 0 0 294.307 1.741 20 5 CDBDRN COC(=O)[C@@H](O[C@H](C)C(C)=O)c1ccccc1[N+](=O)[O-] ZINC001223644578 941689660 /nfs/dbraw/zinc/68/96/60/941689660.db2.gz WJCQNVVNNLFWEI-SKDRFNHKSA-N 0 0 281.264 1.803 20 5 CDBDRN COC(=O)[C@@H](O[C@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC001223643998 941689764 /nfs/dbraw/zinc/68/97/64/941689764.db2.gz RSLAUYCBJLJQLQ-QWRGUYRKSA-N 0 0 295.247 1.141 20 5 CDBDRN Cc1cccc(COC[C@@H]2COCO2)c1[N+](=O)[O-] ZINC001223661065 941690569 /nfs/dbraw/zinc/69/05/69/941690569.db2.gz KVOXZPPOSHOQIH-LLVKDONJSA-N 0 0 253.254 1.793 20 5 CDBDRN COC(=O)c1cccc(COC[C@@H]2COCO2)c1[N+](=O)[O-] ZINC001223662265 941690828 /nfs/dbraw/zinc/69/08/28/941690828.db2.gz FFHYCJRCJCQLTF-SNVBAGLBSA-N 0 0 297.263 1.271 20 5 CDBDRN CCOC(=O)c1ccc(CO[C@@H](C)CON)c([N+](=O)[O-])c1 ZINC001223960608 941709921 /nfs/dbraw/zinc/70/99/21/941709921.db2.gz JRONGSCZQAOAJG-VIFPVBQESA-N 0 0 298.295 1.567 20 5 CDBDRN Cc1cnc(COC[C@@H]2COC(=O)O2)c(C)c1[N+](=O)[O-] ZINC001224182550 941727741 /nfs/dbraw/zinc/72/77/41/941727741.db2.gz JPYJLKQXRPGIIE-SECBINFHSA-N 0 0 282.252 1.659 20 5 CDBDRN Cc1cnc(CO[C@H]2CO[C@H]3OCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC001224185507 941727774 /nfs/dbraw/zinc/72/77/74/941727774.db2.gz HVRFEGGPNZNGAN-VHRBIJSZSA-N 0 0 294.307 1.885 20 5 CDBDRN O=[N+]([O-])c1ccc(OCCOC[C@H]2CCO2)cc1 ZINC001224777048 941789864 /nfs/dbraw/zinc/78/98/64/941789864.db2.gz JGAWGGFYPZZVGQ-GFCCVEGCSA-N 0 0 253.254 1.779 20 5 CDBDRN CCOC(=O)/C=C(\C)CO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224785364 941791882 /nfs/dbraw/zinc/79/18/82/941791882.db2.gz ZSYXWOHIYOCDOU-LAHYYIKRSA-N 0 0 257.286 1.568 20 5 CDBDRN COc1cc(OC[C@@H]2COC(=O)O2)ccc1[N+](=O)[O-] ZINC001225436549 941858789 /nfs/dbraw/zinc/85/87/89/941858789.db2.gz VAKLGPAGIFSNHL-MRVPVSSYSA-N 0 0 269.209 1.518 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])cc1OC[C@@H]1COCCO1 ZINC001225448109 941860719 /nfs/dbraw/zinc/86/07/19/941860719.db2.gz OFCUBFOEGCVKKQ-JTQLQIEISA-N 0 0 297.263 1.176 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H](C)CON ZINC001225451092 941862053 /nfs/dbraw/zinc/86/20/53/941862053.db2.gz OZUSXQIMLWXOEF-ZETCQYMHSA-N 0 0 270.241 1.039 20 5 CDBDRN O=[N+]([O-])C[C@@H](Oc1ccncn1)c1ccc2c(c1)OCO2 ZINC001225585037 941884672 /nfs/dbraw/zinc/88/46/72/941884672.db2.gz GZSGSLGDRMFGGO-GFCCVEGCSA-N 0 0 289.247 1.602 20 5 CDBDRN Cc1cc([N+](=O)[O-])c(OC2CN(C)C2)c([N+](=O)[O-])c1 ZINC001225596701 941886861 /nfs/dbraw/zinc/88/68/61/941886861.db2.gz REHDCEZWENWONS-UHFFFAOYSA-N 0 0 267.241 1.504 20 5 CDBDRN CC[C@H](O)C(=O)Oc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC001225602011 941887507 /nfs/dbraw/zinc/88/75/07/941887507.db2.gz SAPMAKHYQFEIHS-VIFPVBQESA-N 0 0 284.224 1.488 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1OC[C@H]1COCO1 ZINC001225612970 941888810 /nfs/dbraw/zinc/88/88/10/941888810.db2.gz LQJSIJNKXSOHRF-SECBINFHSA-N 0 0 255.226 1.355 20 5 CDBDRN CC(=O)N1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225627990 941890798 /nfs/dbraw/zinc/89/07/98/941890798.db2.gz AKXXJQUCRLPQHP-JTQLQIEISA-N 0 0 265.269 1.380 20 5 CDBDRN CO[C@@H](C)CO[C@@H](C)COc1cccnc1[N+](=O)[O-] ZINC001225633927 941892389 /nfs/dbraw/zinc/89/23/89/941892389.db2.gz WRERIUBVNPYJEW-UWVGGRQHSA-N 0 0 270.285 1.809 20 5 CDBDRN O=c1cc[nH]c(O[C@@H]2CCc3nccn3C2)c1[N+](=O)[O-] ZINC001225664727 941897081 /nfs/dbraw/zinc/89/70/81/941897081.db2.gz SAWODVXEHVPTBV-MRVPVSSYSA-N 0 0 276.252 1.286 20 5 CDBDRN CO[C@@H](C)CO[C@H](C)COc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225664921 941897484 /nfs/dbraw/zinc/89/74/84/941897484.db2.gz ULQHEEYQTRZYHB-DTWKUNHWSA-N 0 0 286.284 1.514 20 5 CDBDRN CC(C)[N@@H+]1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225667687 941897701 /nfs/dbraw/zinc/89/77/01/941897701.db2.gz WTKRYFNCBRUGJO-JTQLQIEISA-N 0 0 281.312 1.947 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H]2CN(C)CCO2)c1 ZINC001225682644 941899842 /nfs/dbraw/zinc/89/98/42/941899842.db2.gz LMTXJWUFTXRVDA-LLVKDONJSA-N 0 0 266.297 1.613 20 5 CDBDRN Cc1c(OC2CS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001225689114 941900397 /nfs/dbraw/zinc/90/03/97/941900397.db2.gz BRJOPMXMAHYPRK-UHFFFAOYSA-N 0 0 257.267 1.079 20 5 CDBDRN O=[N+]([O-])C[C@H](Oc1ccnc(C(F)(F)F)n1)C1CC1 ZINC001225835387 941919506 /nfs/dbraw/zinc/91/95/06/941919506.db2.gz NSQXVPXHPCCMTN-ZETCQYMHSA-N 0 0 277.202 1.930 20 5 CDBDRN O=[N+]([O-])c1ccc(F)c(F)c1OC[C@H]1COCO1 ZINC001225958708 941933700 /nfs/dbraw/zinc/93/37/00/941933700.db2.gz CVGOONNVRZRWAU-ZCFIWIBFSA-N 0 0 261.180 1.625 20 5 CDBDRN Cc1c(=O)[nH]cnc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226072091 941947836 /nfs/dbraw/zinc/94/78/36/941947836.db2.gz YDFARUVSGKTEFH-LBPRGKRZSA-N 0 0 287.275 1.945 20 5 CDBDRN COc1cccnc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001226142230 941955926 /nfs/dbraw/zinc/95/59/26/941955926.db2.gz MHAWHQGKQUPFQJ-VIFPVBQESA-N 0 0 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O=C(CC[C@@H]1CCCO1)OCCn1cc([N+](=O)[O-])cn1 ZINC000748121042 576896486 /nfs/dbraw/zinc/89/64/86/576896486.db2.gz YKRFBAHOEPJBBP-NSHDSACASA-N 0 0 283.284 1.294 20 5 CDBDRN COCC[C@H](C)OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000754597910 576904085 /nfs/dbraw/zinc/90/40/85/576904085.db2.gz UFTMELWXSHKHSW-JTQLQIEISA-N 0 0 283.280 1.942 20 5 CDBDRN C[C@@H](OC(=O)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000749057626 576934450 /nfs/dbraw/zinc/93/44/50/576934450.db2.gz UMIVMOMXHKYVCG-MRVPVSSYSA-N 0 0 287.293 1.244 20 5 CDBDRN C/C(=C/C(=O)OCCn1cnc([N+](=O)[O-])n1)C(C)(C)C ZINC000749080019 576934877 /nfs/dbraw/zinc/93/48/77/576934877.db2.gz NFVQEECXGJHBQC-CLFYSBASSA-N 0 0 282.300 1.722 20 5 CDBDRN CCC1(C(=O)NCc2ccccc2[N+](=O)[O-])COC1 ZINC000755185835 576934888 /nfs/dbraw/zinc/93/48/88/576934888.db2.gz NPUWPWJXSXXXBU-UHFFFAOYSA-N 0 0 264.281 1.638 20 5 CDBDRN O=C(Nc1ccon1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000755752675 576958905 /nfs/dbraw/zinc/95/89/05/576958905.db2.gz KDCDBAJYYDULQI-UHFFFAOYSA-N 0 0 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20 5 CDBDRN CN1CCO[C@@H](c2nnc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001323899909 961036785 /nfs/dbraw/zinc/03/67/85/961036785.db2.gz IGTYSKOWQSESPX-LLVKDONJSA-N 0 0 290.279 1.648 20 5 CDBDRN C[C@H]1C[C@H](C(=O)OCc2cccnc2[N+](=O)[O-])CO1 ZINC001337373615 961146069 /nfs/dbraw/zinc/14/60/69/961146069.db2.gz DFVYTTOFYAZPPW-WPRPVWTQSA-N 0 0 266.253 1.458 20 5 CDBDRN O=C([C@H]1C[C@@H]1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001337410575 961174690 /nfs/dbraw/zinc/17/46/90/961174690.db2.gz OZCBYOCSEJPFAQ-UWVGGRQHSA-N 0 0 282.275 1.313 20 5 CDBDRN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCSC1 ZINC001337443643 961196396 /nfs/dbraw/zinc/19/63/96/961196396.db2.gz BUKKUDURIIGEBG-LLVKDONJSA-N 0 0 282.321 1.551 20 5 CDBDRN CC[C@H](CCO)CNc1c(C)cncc1[N+](=O)[O-] ZINC001324358238 961331506 /nfs/dbraw/zinc/33/15/06/961331506.db2.gz OTURDIPNQFEFKO-SNVBAGLBSA-N 0 0 253.302 1.541 20 5 CDBDRN C[C@H]1C[C@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001338013234 961571137 /nfs/dbraw/zinc/57/11/37/961571137.db2.gz BLXKZPWTXLZFSP-UWVGGRQHSA-N 0 0 267.333 1.259 20 5 CDBDRN CSCC1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001338058735 961604807 /nfs/dbraw/zinc/60/48/07/961604807.db2.gz DZPCVQYBSMDFNP-UHFFFAOYSA-N 0 0 285.373 1.171 20 5 CDBDRN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001339340771 962313494 /nfs/dbraw/zinc/31/34/94/962313494.db2.gz ORGHTWIWUYDILG-WDEREUQCSA-N 0 0 296.375 1.166 20 5 CDBDRN CC(C)CO[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339610527 962448057 /nfs/dbraw/zinc/44/80/57/962448057.db2.gz PQHNIRABMLNNBT-JTQLQIEISA-N 0 0 280.328 1.823 20 5 CDBDRN Cn1c(C[N+](=O)[O-])nnc1N1CCOC2(CCCCC2)C1 ZINC001339664263 962474961 /nfs/dbraw/zinc/47/49/61/962474961.db2.gz FVXJZJHASCBNGE-UHFFFAOYSA-N 0 0 295.343 1.131 20 5 CDBDRN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)Cc1cscn1 ZINC001340121974 962757157 /nfs/dbraw/zinc/75/71/57/962757157.db2.gz AFCRXVZTWQEVNR-MRVPVSSYSA-N 0 0 296.356 1.729 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)CCCF ZINC001340878749 963169099 /nfs/dbraw/zinc/16/90/99/963169099.db2.gz RCSQQTPMOAVYCD-QMMMGPOBSA-N 0 0 259.285 1.432 20 5 CDBDRN CC[C@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CCOC)C1 ZINC001342308117 963705323 /nfs/dbraw/zinc/70/53/23/963705323.db2.gz MPKSQAZRVQVHOQ-MNOVXSKESA-N 0 0 297.359 1.499 20 5 CDBDRN COc1cc(CNc2c(C)cncc2[N+](=O)[O-])ccn1 ZINC001343319528 963950959 /nfs/dbraw/zinc/95/09/59/963950959.db2.gz UVJLDHTUVGMFLU-UHFFFAOYSA-N 0 0 274.280 1.736 20 5 CDBDRN O=C(O[C@H]1CCO[C@@H](C2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001343345379 963956047 /nfs/dbraw/zinc/95/60/47/963956047.db2.gz XUBJQUNCZXQYHF-UMSGYPCISA-N 0 0 299.323 1.169 20 5 CDBDRN C[C@H](COC(=O)C1(Oc2ccccc2)CC1)[N+](=O)[O-] ZINC001344823440 964447494 /nfs/dbraw/zinc/44/74/94/964447494.db2.gz JNLPQUBVKBBHIU-SNVBAGLBSA-N 0 0 265.265 1.806 20 5 CDBDRN O=[N+]([O-])Cc1nnc(N2CC[C@H]3C[C@H]3C2)n1CC1CC1 ZINC001345150670 964601935 /nfs/dbraw/zinc/60/19/35/964601935.db2.gz IERLSKPKSVKJLM-QWRGUYRKSA-N 0 0 277.328 1.311 20 5 CDBDRN COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)C[C@@H]1C ZINC001345658036 964774109 /nfs/dbraw/zinc/77/41/09/964774109.db2.gz VVJFDUGJMBJDSY-DCAQKATOSA-N 0 0 297.359 1.497 20 5 CDBDRN O=[N+]([O-])c1cnn(CCc2nnc(C3CCC3)o2)c1 ZINC001345828187 964828298 /nfs/dbraw/zinc/82/82/98/964828298.db2.gz JKVHGEFGIDUUDB-UHFFFAOYSA-N 0 0 263.257 1.685 20 5 CDBDRN Cc1nnc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)o1 ZINC001348870043 966215201 /nfs/dbraw/zinc/21/52/01/966215201.db2.gz BLPHYHIIYKOWDJ-UHFFFAOYSA-N 0 0 290.279 1.790 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H]1CCSC1 ZINC001350189874 966601909 /nfs/dbraw/zinc/60/19/09/966601909.db2.gz GNJRPXVONIDMCH-ZCFIWIBFSA-N 0 0 256.287 1.020 20 5 CDBDRN C[C@@H](C1CC1)N(C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001350434236 966666946 /nfs/dbraw/zinc/66/69/46/966666946.db2.gz VDFWVACSJVDARI-QMMMGPOBSA-N 0 0 299.352 1.477 20 5 CDBDRN Cc1nc(N2CCCC(=O)[C@H]2C)ncc1[N+](=O)[O-] ZINC001352086764 967089689 /nfs/dbraw/zinc/08/96/89/967089689.db2.gz HVKRUNZWDSLDNM-MRVPVSSYSA-N 0 0 250.258 1.251 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001352453962 967288754 /nfs/dbraw/zinc/28/87/54/967288754.db2.gz UPSWVOFZOMPJBT-AEJSXWLSSA-N 0 0 283.332 1.249 20 5 CDBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@H]1CO ZINC001355058907 969029103 /nfs/dbraw/zinc/02/91/03/969029103.db2.gz ALWQHFNPBMXWCH-VIFPVBQESA-N 0 0 282.321 1.280 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001520820682 970229825 /nfs/dbraw/zinc/22/98/25/970229825.db2.gz QBIBHILTAHGHSA-GUBZILKMSA-N 0 0 299.400 1.966 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](OC)C1 ZINC001520821290 970230072 /nfs/dbraw/zinc/23/00/72/970230072.db2.gz ZGEJAFVBBXGGAS-UWVGGRQHSA-N 0 0 283.332 1.251 20 5 CDBDRN COC(=O)C1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC001514892765 976369869 /nfs/dbraw/zinc/36/98/69/976369869.db2.gz UNELKFWQMWKJKW-UHFFFAOYSA-N 0 0 296.254 1.287 20 5 CDBDRN CC(C)(CC(N)=O)[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001590654916 990349567 /nfs/dbraw/zinc/34/95/67/990349567.db2.gz YVVZGAONGHYKRO-UHFFFAOYSA-N 0 0 295.295 1.037 20 5 CDBDRN C[NH2+]C1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC001598664105 994645892 /nfs/dbraw/zinc/64/58/92/994645892.db2.gz FFYGTTHPOZTJAP-UHFFFAOYSA-N 0 0 280.284 1.242 20 5 CDBDRN CCc1[nH]nc(C(=O)OCC2(COC)CCC2)c1[N+](=O)[O-] ZINC000812593274 1163658613 /nfs/dbraw/zinc/65/86/13/1163658613.db2.gz MBYXACAVPRLYCE-UHFFFAOYSA-N 0 0 297.311 1.854 20 5 CDBDRN CC[C@H](Nc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000074774207 342450505 /nfs/dbraw/zinc/45/05/05/342450505.db2.gz XFDXNSJBLWHBDW-JTQLQIEISA-N 0 0 268.317 1.945 20 5 CDBDRN COC[C@](C)(O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000075246570 342455285 /nfs/dbraw/zinc/45/52/85/342455285.db2.gz MPQUFFDVWZPEPD-PSKZRQQASA-N 0 0 294.307 1.122 20 5 CDBDRN COc1cccc(NC[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599174947 343975585 /nfs/dbraw/zinc/97/55/85/343975585.db2.gz NDJZPADARQYVJM-DTORHVGOSA-N 0 0 252.270 1.786 20 5 CDBDRN CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000044605601 341979743 /nfs/dbraw/zinc/97/97/43/341979743.db2.gz QHGROUKUUBUCAR-GHMZBOCLSA-N 0 0 293.279 1.859 20 5 CDBDRN CO[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601034821 342460309 /nfs/dbraw/zinc/46/03/09/342460309.db2.gz MDDFTPUOGDABRG-SECBINFHSA-N 0 0 282.271 1.985 20 5 CDBDRN CCn1nncc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000600157208 341981156 /nfs/dbraw/zinc/98/11/56/341981156.db2.gz SXENNJQZNVUOGF-UHFFFAOYSA-N 0 0 275.268 1.136 20 5 CDBDRN O=c1ccccn1CCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000586250644 342464430 /nfs/dbraw/zinc/46/44/30/342464430.db2.gz AIERQUXCRHWPMK-UHFFFAOYSA-N 0 0 295.682 1.884 20 5 CDBDRN Cc1[nH][nH]c(=O)c1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000533070493 282080812 /nfs/dbraw/zinc/08/08/12/282080812.db2.gz NCEAYKKXROFVLE-QMMMGPOBSA-N 0 0 298.249 1.797 20 5 CDBDRN CCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000164074861 342486645 /nfs/dbraw/zinc/48/66/45/342486645.db2.gz COXQOPYGLXCQJF-UHFFFAOYSA-N 0 0 254.290 1.324 20 5 CDBDRN CCC[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618338515 349441353 /nfs/dbraw/zinc/44/13/53/349441353.db2.gz UXOCUSAYAHRQHT-ZETCQYMHSA-N 0 0 253.258 1.614 20 5 CDBDRN CC(C)(CO)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000587979246 342487860 /nfs/dbraw/zinc/48/78/60/342487860.db2.gz JABULCCFUJTDMC-UHFFFAOYSA-N 0 0 297.330 1.627 20 5 CDBDRN COC(=O)C(C)(C)CCNc1cccnc1[N+](=O)[O-] ZINC000588064875 342491849 /nfs/dbraw/zinc/49/18/49/342491849.db2.gz FWGNNWGZRHVSMQ-UHFFFAOYSA-N 0 0 267.285 1.991 20 5 CDBDRN CCC[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])OCC ZINC000600174715 341982952 /nfs/dbraw/zinc/98/29/52/341982952.db2.gz MTUVDPGGTQDQEA-QMMMGPOBSA-N 0 0 270.289 1.253 20 5 CDBDRN CCC[C@H](CCO)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000601211509 342505039 /nfs/dbraw/zinc/50/50/39/342505039.db2.gz FAMIVUVGVCOTIZ-SECBINFHSA-N 0 0 256.306 1.600 20 5 CDBDRN CC(=O)c1cc(N[C@H]2C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000601212037 342505044 /nfs/dbraw/zinc/50/50/44/342505044.db2.gz PYUURLJAWJNPBX-JGZJWPJOSA-N 0 0 264.281 1.980 20 5 CDBDRN Cc1cnn([C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)c1 ZINC000589608729 342509759 /nfs/dbraw/zinc/50/97/59/342509759.db2.gz WAWLEIVNRWXVKP-NSHDSACASA-N 0 0 273.296 1.946 20 5 CDBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ncccn2n1 ZINC000589829523 342514952 /nfs/dbraw/zinc/51/49/52/342514952.db2.gz TZQNIPJIUCLXJN-UHFFFAOYSA-N 0 0 283.247 1.890 20 5 CDBDRN C[C@@H](O)C[C@@H](C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601217308 342515418 /nfs/dbraw/zinc/51/54/18/342515418.db2.gz NVLLMPOJQVBGBV-RKDXNWHRSA-N 0 0 284.287 1.871 20 5 CDBDRN CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000599192785 343977977 /nfs/dbraw/zinc/97/79/77/343977977.db2.gz HQVSCVPNKLGYCD-KYZUINATSA-N 0 0 265.269 1.283 20 5 CDBDRN CCOC[C@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000618504451 349472078 /nfs/dbraw/zinc/47/20/78/349472078.db2.gz JFXQCCWJJWMRAX-VIFPVBQESA-N 0 0 299.279 1.158 20 5 CDBDRN CCC[C@@H](CCO)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000601222316 342526522 /nfs/dbraw/zinc/52/65/22/342526522.db2.gz KFVHSXXOZFGJDJ-VIFPVBQESA-N 0 0 269.301 1.214 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)c(NC[C@@H](O)CO)c(Cl)c1 ZINC000127622997 187321346 /nfs/dbraw/zinc/32/13/46/187321346.db2.gz DSVDCZJZQSGKML-ZCFIWIBFSA-N 0 0 281.095 1.667 20 5 CDBDRN Cc1[nH][nH]c(=O)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590398323 342543522 /nfs/dbraw/zinc/54/35/22/342543522.db2.gz MDUUUTHFLMUZQP-UHFFFAOYSA-N 0 0 276.252 1.513 20 5 CDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CCCOC2)cc1 ZINC000611537253 346815384 /nfs/dbraw/zinc/81/53/84/346815384.db2.gz XGUNVFBPKGZSLR-LLVKDONJSA-N 0 0 271.294 1.548 20 5 CDBDRN COc1cc(C(=O)N2CCO[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000590434019 342545584 /nfs/dbraw/zinc/54/55/84/342545584.db2.gz YQFITVGUWIRYGR-PWSUYJOCSA-N 0 0 278.264 1.217 20 5 CDBDRN COC(=O)[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000611568928 346815745 /nfs/dbraw/zinc/81/57/45/346815745.db2.gz CDFPLNLAUWNLHY-SNVBAGLBSA-N 0 0 295.295 1.481 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2cc(C)ccc2O)c1[N+](=O)[O-] ZINC000436815093 361745652 /nfs/dbraw/zinc/74/56/52/361745652.db2.gz UNLZELWMWBQKAV-UHFFFAOYSA-N 0 0 276.252 1.893 20 5 CDBDRN O=C1Cc2ccccc2N1CCNc1cccnc1[N+](=O)[O-] ZINC000608779075 342037398 /nfs/dbraw/zinc/03/73/98/342037398.db2.gz SRXKPQLKLDOPBN-UHFFFAOYSA-N 0 0 298.302 1.991 20 5 CDBDRN COC(=O)c1nccc(Oc2cccc([N+](=O)[O-])c2)n1 ZINC000590568806 342576271 /nfs/dbraw/zinc/57/62/71/342576271.db2.gz FCPRFTDEUXNAEV-UHFFFAOYSA-N 0 0 275.220 1.964 20 5 CDBDRN C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000533335104 282111913 /nfs/dbraw/zinc/11/19/13/282111913.db2.gz NYGGGDKJEIXBLC-RKDXNWHRSA-N 0 0 267.285 1.156 20 5 CDBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3(CC3)C2)c1C ZINC000590758589 342588438 /nfs/dbraw/zinc/58/84/38/342588438.db2.gz BNESXYQVXXCMNY-UHFFFAOYSA-N 0 0 296.348 1.996 20 5 CDBDRN Cc1cc(NC(=O)N2CCO[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590825595 342598295 /nfs/dbraw/zinc/59/82/95/342598295.db2.gz 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266.278 1.875 20 5 CDBDRN Cc1oc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000135290625 358160518 /nfs/dbraw/zinc/16/05/18/358160518.db2.gz FCLNFLGZIFLSPM-UHFFFAOYSA-N 0 0 288.267 1.575 20 5 CDBDRN CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(N[C@H](CC)CO)n1 ZINC000192351828 358192442 /nfs/dbraw/zinc/19/24/42/358192442.db2.gz KYIDRHLXTNOPMM-NXEZZACHSA-N 0 0 298.343 1.355 20 5 CDBDRN CCN(C[C@H]1CCOC1)c1c([N+](=O)[O-])ncn1C ZINC000610946467 358238277 /nfs/dbraw/zinc/23/82/77/358238277.db2.gz JOBOCRXNVLZZBM-SECBINFHSA-N 0 0 254.290 1.191 20 5 CDBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@](C)(O)CSC ZINC000192614321 358221917 /nfs/dbraw/zinc/22/19/17/358221917.db2.gz GOWOZEUKTHGPSF-LLVKDONJSA-N 0 0 288.373 1.646 20 5 CDBDRN O=[N+]([O-])c1cccc([C@H](O)Cn2nnc(C3CC3)n2)c1 ZINC000193416880 358293735 /nfs/dbraw/zinc/29/37/35/358293735.db2.gz JCAIBZFNVVXUCO-LLVKDONJSA-N 0 0 275.268 1.192 20 5 CDBDRN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](OCCO)C2)c1 ZINC000193435137 358294295 /nfs/dbraw/zinc/29/42/95/358294295.db2.gz NIMNBMZRXJHXCO-LLVKDONJSA-N 0 0 281.312 1.155 20 5 CDBDRN Cc1cc(COC(=O)Cn2ccc([N+](=O)[O-])n2)ns1 ZINC000193480931 358296826 /nfs/dbraw/zinc/29/68/26/358296826.db2.gz PMFWLJSVFJOEIO-UHFFFAOYSA-N 0 0 282.281 1.300 20 5 CDBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)n1 ZINC000294792930 199185926 /nfs/dbraw/zinc/18/59/26/199185926.db2.gz OWUOURZPZQWQIX-VHSXEESVSA-N 0 0 292.339 1.979 20 5 CDBDRN CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000294816147 199196057 /nfs/dbraw/zinc/19/60/57/199196057.db2.gz QDFNTJCSLGKPNL-DTWKUNHWSA-N 0 0 278.312 1.969 20 5 CDBDRN CSC[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193732456 358319917 /nfs/dbraw/zinc/31/99/17/358319917.db2.gz FWQFNFCWZNAGDM-VIFPVBQESA-N 0 0 297.336 1.663 20 5 CDBDRN Cc1ccc(S(=O)(=O)N[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000337805434 358354752 /nfs/dbraw/zinc/35/47/52/358354752.db2.gz KIOFINICTIPWER-SECBINFHSA-N 0 0 284.337 1.980 20 5 CDBDRN CSC1(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CCC1 ZINC000194624656 358384290 /nfs/dbraw/zinc/38/42/90/358384290.db2.gz NCJSDWTZLDLQOC-UHFFFAOYSA-N 0 0 298.368 1.652 20 5 CDBDRN CCCc1n[nH]c(C(=O)NCC2(SC)CC2)c1[N+](=O)[O-] ZINC000194676518 358387704 /nfs/dbraw/zinc/38/77/04/358387704.db2.gz AIUYSHGXFGDWHG-UHFFFAOYSA-N 0 0 298.368 1.896 20 5 CDBDRN CO[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000234757334 358395185 /nfs/dbraw/zinc/39/51/85/358395185.db2.gz CJNSEXMRGCUQSS-TXEJJXNPSA-N 0 0 298.270 1.220 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000408226743 358447991 /nfs/dbraw/zinc/44/79/91/358447991.db2.gz PEAYSRLCSZUSPG-MNOVXSKESA-N 0 0 292.339 1.866 20 5 CDBDRN C[C@H](CNc1ncc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000195512823 358433693 /nfs/dbraw/zinc/43/36/93/358433693.db2.gz NJQDQKDMCYGSFQ-SECBINFHSA-N 0 0 285.373 1.099 20 5 CDBDRN COC(=O)C[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000178849804 291159546 /nfs/dbraw/zinc/15/95/46/291159546.db2.gz OJEJUUPKYSASFR-SECBINFHSA-N 0 0 265.269 1.522 20 5 CDBDRN CC(C)n1ncnc1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000567754099 358733019 /nfs/dbraw/zinc/73/30/19/358733019.db2.gz QUGGTJDJXBMHDC-UHFFFAOYSA-N 0 0 295.328 1.262 20 5 CDBDRN Cc1cc(NC(=O)CCn2cccc([N+](=O)[O-])c2=O)no1 ZINC000102204172 358872446 /nfs/dbraw/zinc/87/24/46/358872446.db2.gz PRXJYSNZLJKGRU-UHFFFAOYSA-N 0 0 292.251 1.082 20 5 CDBDRN COC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000234870755 358851426 /nfs/dbraw/zinc/85/14/26/358851426.db2.gz WHUNPGMTJMWDCT-SECBINFHSA-N 0 0 274.704 1.345 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000341138877 366506350 /nfs/dbraw/zinc/50/63/50/366506350.db2.gz BIHCETJNYCUZMN-OCCSQVGLSA-N 0 0 291.307 1.707 20 5 CDBDRN COCC(COC)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000388379985 358944905 /nfs/dbraw/zinc/94/49/05/358944905.db2.gz LBGLEDNOYGSOLY-UHFFFAOYSA-N 0 0 291.307 1.638 20 5 CDBDRN C[C@H](O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104330684 358955537 /nfs/dbraw/zinc/95/55/37/358955537.db2.gz MKPLOIZBRZXZKZ-LURJTMIESA-N 0 0 258.661 1.359 20 5 CDBDRN CC[C@@](C)(CO)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000080878694 359022378 /nfs/dbraw/zinc/02/23/78/359022378.db2.gz SDNQJQBKILGNIU-ZDUSSCGKSA-N 0 0 266.297 1.794 20 5 CDBDRN O=C(N[C@H]1CCCC[C@H]1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135502313 359023644 /nfs/dbraw/zinc/02/36/44/359023644.db2.gz INTZHEJSYJDPBL-CMPLNLGQSA-N 0 0 282.271 1.767 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCC2 ZINC000119860929 359030582 /nfs/dbraw/zinc/03/05/82/359030582.db2.gz AWLYYTSZZPQBNF-UHFFFAOYSA-N 0 0 286.291 1.737 20 5 CDBDRN CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CCO1 ZINC000108349498 359043890 /nfs/dbraw/zinc/04/38/90/359043890.db2.gz BWOHTJZUFBAOOJ-NSHDSACASA-N 0 0 251.286 1.913 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C2CCC2)CC1 ZINC000265023546 358981138 /nfs/dbraw/zinc/98/11/38/358981138.db2.gz WMQDSSBVJWGHDT-UHFFFAOYSA-N 0 0 279.296 1.498 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2cnnc2C1 ZINC000105844104 358988845 /nfs/dbraw/zinc/98/88/45/358988845.db2.gz XZZGOLIXKLGJQU-UHFFFAOYSA-N 0 0 287.279 1.151 20 5 CDBDRN CNC(=O)CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000060883703 358995443 /nfs/dbraw/zinc/99/54/43/358995443.db2.gz OJTQQMMMRBCRIO-UHFFFAOYSA-N 0 0 285.687 1.066 20 5 CDBDRN CC(C)(C)C[C@@H](O)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342411915 359047249 /nfs/dbraw/zinc/04/72/49/359047249.db2.gz JBDVMOILDKVTLM-SECBINFHSA-N 0 0 295.339 1.903 20 5 CDBDRN COc1ccc(NC(=O)[C@H]2CCC(=O)N2C)cc1[N+](=O)[O-] ZINC000450756824 358998575 /nfs/dbraw/zinc/99/85/75/358998575.db2.gz GTRAZRCVXKFTCL-SECBINFHSA-N 0 0 293.279 1.163 20 5 CDBDRN C[C@H]1CC[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302529514 359009736 /nfs/dbraw/zinc/00/97/36/359009736.db2.gz KXLANSZLKUDTCB-IUCAKERBSA-N 0 0 299.352 1.843 20 5 CDBDRN O=C(NCCCOC(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000338160866 359091716 /nfs/dbraw/zinc/09/17/16/359091716.db2.gz NTXNPQWWAGCDCQ-UHFFFAOYSA-N 0 0 263.200 1.282 20 5 CDBDRN Cc1nccn1CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338173474 359095246 /nfs/dbraw/zinc/09/52/46/359095246.db2.gz DCXRSLNDYAKMEI-UHFFFAOYSA-N 0 0 277.284 1.248 20 5 CDBDRN C[C@@H]1COCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000338305217 359117553 /nfs/dbraw/zinc/11/75/53/359117553.db2.gz IKKAKBUVPFCOBC-VIFPVBQESA-N 0 0 282.271 1.842 20 5 CDBDRN CSC[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000120008098 359063372 /nfs/dbraw/zinc/06/33/72/359063372.db2.gz HTTHXSKWNVCKIL-VIFPVBQESA-N 0 0 283.353 1.874 20 5 CDBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000045445973 359149475 /nfs/dbraw/zinc/14/94/75/359149475.db2.gz AHODIKKUEGCUTE-UWVGGRQHSA-N 0 0 264.281 1.844 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@](C)(C(=O)OC)C1 ZINC000288043928 359153321 /nfs/dbraw/zinc/15/33/21/359153321.db2.gz AAPRWZMAJNNUTP-ZDUSSCGKSA-N 0 0 296.327 1.509 20 5 CDBDRN C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338705537 359156928 /nfs/dbraw/zinc/15/69/28/359156928.db2.gz XRUMXTYCUAHWEU-NXEZZACHSA-N 0 0 281.312 1.621 20 5 CDBDRN COC(=O)[C@H](C)CN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000045854757 359165770 /nfs/dbraw/zinc/16/57/70/359165770.db2.gz OHYKCPCONQPMIJ-SNVBAGLBSA-N 0 0 294.307 1.784 20 5 CDBDRN C[C@H]1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575000017 359231148 /nfs/dbraw/zinc/23/11/48/359231148.db2.gz RKERZMXLZLHTBU-VHSXEESVSA-N 0 0 292.339 1.958 20 5 CDBDRN CC[C@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000111628926 359245878 /nfs/dbraw/zinc/24/58/78/359245878.db2.gz GONYSORDUXEZFW-QMMMGPOBSA-N 0 0 267.285 1.814 20 5 CDBDRN COC(=O)[C@@H](C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000338897026 359206174 /nfs/dbraw/zinc/20/61/74/359206174.db2.gz CPQUGPTXJUGRDC-QMMMGPOBSA-N 0 0 295.295 1.337 20 5 CDBDRN CCOC(=O)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000050085974 359292263 /nfs/dbraw/zinc/29/22/63/359292263.db2.gz LSAJAPNTAHSICE-JTQLQIEISA-N 0 0 265.269 1.522 20 5 CDBDRN O=[N+]([O-])c1ccccc1CNC[C@@H](O)C(F)(F)F ZINC000111815661 359266015 /nfs/dbraw/zinc/26/60/15/359266015.db2.gz ZIWHFCBVLKTQFC-SECBINFHSA-N 0 0 264.203 1.608 20 5 CDBDRN C[C@H]1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000570104522 359282372 /nfs/dbraw/zinc/28/23/72/359282372.db2.gz MLPUGCDKWKAHDS-UWVGGRQHSA-N 0 0 292.339 1.958 20 5 CDBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCOCCN1 ZINC000288882859 359410755 /nfs/dbraw/zinc/41/07/55/359410755.db2.gz GVSLHIIJHFUTHX-UHFFFAOYSA-N 0 0 274.280 1.484 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[C@H]1C ZINC000339499764 359413049 /nfs/dbraw/zinc/41/30/49/359413049.db2.gz SSNJIJBFVUGZPK-KOLCDFICSA-N 0 0 280.328 1.652 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccn(-c2ccccc2)n1 ZINC000347726868 359434718 /nfs/dbraw/zinc/43/47/18/359434718.db2.gz CIIDXEXZBZNMGF-UHFFFAOYSA-N 0 0 298.306 1.548 20 5 CDBDRN CCCCCN(CCO)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000339768652 359438532 /nfs/dbraw/zinc/43/85/32/359438532.db2.gz UGXBBQWLCHHIDK-UHFFFAOYSA-N 0 0 269.301 1.548 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCSC1 ZINC000267309414 359521385 /nfs/dbraw/zinc/52/13/85/359521385.db2.gz ZQVIURNEBCXBPO-SNVBAGLBSA-N 0 0 298.368 1.502 20 5 CDBDRN CNC(=O)[C@H]1CCCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000110596978 283442239 /nfs/dbraw/zinc/44/22/39/283442239.db2.gz KATBRXLWFWRXSU-NSHDSACASA-N 0 0 277.324 1.866 20 5 CDBDRN CCn1cc([C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-])cn1 ZINC000296831056 200009435 /nfs/dbraw/zinc/00/94/35/200009435.db2.gz DVEWPZMXYPBBOG-SNVBAGLBSA-N 0 0 282.344 1.916 20 5 CDBDRN Cc1cnn(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000340143722 359571623 /nfs/dbraw/zinc/57/16/23/359571623.db2.gz NYULUHHERHWZII-UHFFFAOYSA-N 0 0 274.280 1.763 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CO ZINC000050114053 359572461 /nfs/dbraw/zinc/57/24/61/359572461.db2.gz QDNJOTXTKREQBI-GFCCVEGCSA-N 0 0 266.297 1.560 20 5 CDBDRN COc1cc(C(=O)N(C)[C@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000296872787 200022478 /nfs/dbraw/zinc/02/24/78/200022478.db2.gz KAJMOFRIMIGMMW-SECBINFHSA-N 0 0 296.323 1.835 20 5 CDBDRN Cc1cc(N[C@H](C(N)=O)C(C)C)ncc1[N+](=O)[O-] ZINC000225872597 359626064 /nfs/dbraw/zinc/62/60/64/359626064.db2.gz WHELZZGSRWAILB-JTQLQIEISA-N 0 0 252.274 1.220 20 5 CDBDRN C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(O)c1 ZINC000171305513 237288036 /nfs/dbraw/zinc/28/80/36/237288036.db2.gz MWXBSWPNOIDSON-VIFPVBQESA-N 0 0 290.279 1.374 20 5 CDBDRN COCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[C@H](C)C1 ZINC000362150554 359684764 /nfs/dbraw/zinc/68/47/64/359684764.db2.gz PTEXWUXCQAGQAP-RYUDHWBXSA-N 0 0 296.371 1.965 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@](C)(O)C(C)C ZINC000075116521 359736184 /nfs/dbraw/zinc/73/61/84/359736184.db2.gz UGZUENIJFAUFOQ-ZDUSSCGKSA-N 0 0 298.343 1.013 20 5 CDBDRN CS(=O)(=O)[C@H]1CCCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000277776201 359741043 /nfs/dbraw/zinc/74/10/43/359741043.db2.gz FDMJPLCHUMNVKE-JTQLQIEISA-N 0 0 299.352 1.393 20 5 CDBDRN Cc1nc(N[C@H]2CC[C@H](O)CC2)ncc1[N+](=O)[O-] ZINC000297498609 200211879 /nfs/dbraw/zinc/21/18/79/200211879.db2.gz 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281.312 1.478 20 5 CDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1cncc(F)c1 ZINC000356728542 373039126 /nfs/dbraw/zinc/03/91/26/373039126.db2.gz FJYVJVNRRCEUOR-ZETCQYMHSA-N 0 0 293.258 1.353 20 5 CDBDRN Cc1cnccc1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356729425 373039245 /nfs/dbraw/zinc/03/92/45/373039245.db2.gz LTNZTFJYIAPACH-UHFFFAOYSA-N 0 0 289.295 1.004 20 5 CDBDRN COc1ccc(=O)n(CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000190069845 373324793 /nfs/dbraw/zinc/32/47/93/373324793.db2.gz FYIMWOAEYJUXJY-UHFFFAOYSA-N 0 0 291.263 1.239 20 5 CDBDRN C[C@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000301369617 373519133 /nfs/dbraw/zinc/51/91/33/373519133.db2.gz RVPNWNUIXFHCFC-ZYHUDNBSSA-N 0 0 251.286 1.953 20 5 CDBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1COCC(F)(F)F ZINC000289628676 197427017 /nfs/dbraw/zinc/42/70/17/197427017.db2.gz MHVDIHASKCZFTH-UHFFFAOYSA-N 0 0 286.593 1.946 20 5 CDBDRN O=c1ccc([N+](=O)[O-])cn1Cc1ccc(-n2ccnc2)cc1 ZINC000192821920 373643090 /nfs/dbraw/zinc/64/30/90/373643090.db2.gz 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CN(C[C@@H]1CCCOC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604530 374298689 /nfs/dbraw/zinc/29/86/89/374298689.db2.gz SGAGIVUNTWWVKJ-JTQLQIEISA-N 0 0 293.323 1.557 20 5 CDBDRN CCOC1CC(O)(CNc2nccc(C)c2[N+](=O)[O-])C1 ZINC000277784652 193758385 /nfs/dbraw/zinc/75/83/85/193758385.db2.gz FVWVFHIQWUPHDX-UHFFFAOYSA-N 0 0 281.312 1.640 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNC(=O)[C@@H]1C ZINC000421759067 374329394 /nfs/dbraw/zinc/32/93/94/374329394.db2.gz BOHKZUDPPIPXSG-JTQLQIEISA-N 0 0 291.307 1.172 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C1CC1 ZINC000421790768 374331447 /nfs/dbraw/zinc/33/14/47/374331447.db2.gz YNVQUXOQCPDFHC-CYBMUJFWSA-N 0 0 278.308 1.712 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C(N)=O ZINC000421898671 374340730 /nfs/dbraw/zinc/34/07/30/374340730.db2.gz YOHHMORJQXMPHC-UHFFFAOYSA-N 0 0 293.323 1.548 20 5 CDBDRN COc1ccc(CN2CCNC(=O)C2(C)C)cc1[N+](=O)[O-] ZINC000066529633 374344178 /nfs/dbraw/zinc/34/41/78/374344178.db2.gz HXUFXKCODAZMNW-UHFFFAOYSA-N 0 0 293.323 1.314 20 5 CDBDRN CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000066748043 374356903 /nfs/dbraw/zinc/35/69/03/374356903.db2.gz ZOFLBHGANHSODB-UHFFFAOYSA-N 0 0 260.253 1.199 20 5 CDBDRN CC[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000078930723 374361635 /nfs/dbraw/zinc/36/16/35/374361635.db2.gz WRMDTRHQFPIZDA-SECBINFHSA-N 0 0 289.295 1.704 20 5 CDBDRN CCCOC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000078935535 374362647 /nfs/dbraw/zinc/36/26/47/374362647.db2.gz LZTSSSZWZCIZRL-QMMMGPOBSA-N 0 0 254.242 1.710 20 5 CDBDRN CN(CCc1ccccn1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347136800 374372109 /nfs/dbraw/zinc/37/21/09/374372109.db2.gz KKWLKBCZMMNXCP-UHFFFAOYSA-N 0 0 289.295 1.038 20 5 CDBDRN CCn1cc([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)cn1 ZINC000296129438 374372784 /nfs/dbraw/zinc/37/27/84/374372784.db2.gz WNCBPLFVKOFHMH-MRVPVSSYSA-N 0 0 264.289 1.718 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C(N)=O ZINC000067571862 374421474 /nfs/dbraw/zinc/42/14/74/374421474.db2.gz BIUNFDBFXAALSS-GFCCVEGCSA-N 0 0 291.307 1.383 20 5 CDBDRN O=[N+]([O-])c1ncn(Cc2cnn(-c3ccccc3)c2)n1 ZINC000080123192 374448588 /nfs/dbraw/zinc/44/85/88/374448588.db2.gz OSZTVTPFEHPUGL-UHFFFAOYSA-N 0 0 270.252 1.420 20 5 CDBDRN COCC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000531726672 374505889 /nfs/dbraw/zinc/50/58/89/374505889.db2.gz WDBMKPLGCDGINP-UHFFFAOYSA-N 0 0 264.281 1.433 20 5 CDBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCn2nccc21 ZINC000375960074 374527812 /nfs/dbraw/zinc/52/78/12/374527812.db2.gz WKVWPBANDYTDOI-UHFFFAOYSA-N 0 0 273.252 1.034 20 5 CDBDRN Cc1c([N+](=O)[O-])ccc(=O)n1[C@H]1C[C@H](C)CCC1=O ZINC000413001640 291599628 /nfs/dbraw/zinc/59/96/28/291599628.db2.gz LOJDJSOYPCGCKN-KCJUWKMLSA-N 0 0 264.281 1.995 20 5 CDBDRN COc1ccnc(CNCc2ccc([N+](=O)[O-])cc2C)n1 ZINC000424184287 246374929 /nfs/dbraw/zinc/37/49/29/246374929.db2.gz CZXWQEBMDXYFDB-UHFFFAOYSA-N 0 0 288.307 1.992 20 5 CDBDRN O=C1[C@@H](n2nccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000118175920 374634072 /nfs/dbraw/zinc/63/40/72/374634072.db2.gz IUTWHCMVFGMQKQ-LURJTMIESA-N 0 0 278.190 1.127 20 5 CDBDRN CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)NC ZINC000456996781 252462707 /nfs/dbraw/zinc/46/27/07/252462707.db2.gz IQJMBTPIVSCZIE-JTQLQIEISA-N 0 0 299.714 1.503 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000351952192 374700233 /nfs/dbraw/zinc/70/02/33/374700233.db2.gz RTCVFZCZZFFILQ-BXKDBHETSA-N 0 0 279.296 1.748 20 5 CDBDRN CC(C)O[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1(C)C ZINC000274325299 374671240 /nfs/dbraw/zinc/67/12/40/374671240.db2.gz DQSYWDYPMUMYRE-VHSXEESVSA-N 0 0 296.327 1.640 20 5 CDBDRN Cc1n[nH]c(C(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000299511451 374679704 /nfs/dbraw/zinc/67/97/04/374679704.db2.gz GLMMCKSBRJTSSV-UHFFFAOYSA-N 0 0 295.343 1.232 20 5 CDBDRN CC1(C)CS(=O)(=O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000274833406 374683389 /nfs/dbraw/zinc/68/33/89/374683389.db2.gz KGULWJNZNDOSTH-UHFFFAOYSA-N 0 0 298.364 1.604 20 5 CDBDRN COC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000276059248 374707719 /nfs/dbraw/zinc/70/77/19/374707719.db2.gz RLZGGTZZKGDJOG-MFKMUULPSA-N 0 0 266.297 1.835 20 5 CDBDRN COCCN(Cc1cncs1)c1c([N+](=O)[O-])ncn1C ZINC000447812596 374712359 /nfs/dbraw/zinc/71/23/59/374712359.db2.gz MSIKBQXVCXCULF-UHFFFAOYSA-N 0 0 297.340 1.438 20 5 CDBDRN COc1cc(N[C@@H](C)c2ncnn2C)ccc1[N+](=O)[O-] ZINC000276931510 374760976 /nfs/dbraw/zinc/76/09/76/374760976.db2.gz PTSRGGHTLYTGPH-QMMMGPOBSA-N 0 0 277.284 1.905 20 5 CDBDRN CCOCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000093317834 374742013 /nfs/dbraw/zinc/74/20/13/374742013.db2.gz NOBINNYDDKXWRS-UHFFFAOYSA-N 0 0 296.323 1.930 20 5 CDBDRN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277599780 374797669 /nfs/dbraw/zinc/79/76/69/374797669.db2.gz VNZYVHVAXTVLCC-WYRIXSBYSA-N 0 0 282.365 1.795 20 5 CDBDRN COc1cc(C(=O)N2CC(C)(O)C2)cc([N+](=O)[O-])c1C ZINC000277771261 374811231 /nfs/dbraw/zinc/81/12/31/374811231.db2.gz PSFJRZOYLUGSJW-UHFFFAOYSA-N 0 0 280.280 1.119 20 5 CDBDRN CC(C)C[C@H](CO)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124591860 374824875 /nfs/dbraw/zinc/82/48/75/374824875.db2.gz LRKJUUFKHWYSFY-SECBINFHSA-N 0 0 282.300 1.518 20 5 CDBDRN COC(=O)c1cnc(NC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000277288202 374779529 /nfs/dbraw/zinc/77/95/29/374779529.db2.gz ZIKKWCAGNVOKLU-UHFFFAOYSA-N 0 0 287.222 1.986 20 5 CDBDRN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277320964 374782750 /nfs/dbraw/zinc/78/27/50/374782750.db2.gz VAXDAQPFOZOUQG-LZVRBXCZSA-N 0 0 288.394 1.999 20 5 CDBDRN Cc1c(CNC(=O)[C@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331141773 374894668 /nfs/dbraw/zinc/89/46/68/374894668.db2.gz UNTJSXGVTWPWNB-JOYOIKCWSA-N 0 0 278.308 1.944 20 5 CDBDRN O=C1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1 ZINC000094771929 374846748 /nfs/dbraw/zinc/84/67/48/374846748.db2.gz ROWPFDBUOXSOOR-SSDOTTSWSA-N 0 0 275.268 1.162 20 5 CDBDRN CCC(CC)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000330442209 374854396 /nfs/dbraw/zinc/85/43/96/374854396.db2.gz ACTISHBNFXALHT-UHFFFAOYSA-N 0 0 290.345 1.278 20 5 CDBDRN CCC1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000330511642 374858301 /nfs/dbraw/zinc/85/83/01/374858301.db2.gz JIBQCHUAEXMLPF-UHFFFAOYSA-N 0 0 293.323 1.405 20 5 CDBDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CO1 ZINC000331276274 374922173 /nfs/dbraw/zinc/92/21/73/374922173.db2.gz XXCSFUBVXSAGBQ-PWSUYJOCSA-N 0 0 278.308 1.978 20 5 CDBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000331375709 374944562 /nfs/dbraw/zinc/94/45/62/374944562.db2.gz DDONGQNQQXPPKZ-RNFRBKRXSA-N 0 0 276.339 1.685 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000331403603 374948568 /nfs/dbraw/zinc/94/85/68/374948568.db2.gz NMDCDQCRYVWMGC-PWSUYJOCSA-N 0 0 291.307 1.897 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCOC1 ZINC000266757662 374966618 /nfs/dbraw/zinc/96/66/18/374966618.db2.gz RZEDVOHWTYPFLM-GFCCVEGCSA-N 0 0 293.323 1.562 20 5 CDBDRN C[C@@H]1C[C@H](O)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000331516636 374968495 /nfs/dbraw/zinc/96/84/95/374968495.db2.gz DJTRCTMJGGMDCR-BDAKNGLRSA-N 0 0 289.291 1.671 20 5 CDBDRN CC1(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000279907697 374973823 /nfs/dbraw/zinc/97/38/23/374973823.db2.gz JKFWLOQEEXFABU-UHFFFAOYSA-N 0 0 276.248 1.872 20 5 CDBDRN COc1ccc(OC(=O)[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000279954076 374978123 /nfs/dbraw/zinc/97/81/23/374978123.db2.gz HUMCZKFXEFZGMR-GFCCVEGCSA-N 0 0 281.264 1.934 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[C@H]1C ZINC000299552255 374980124 /nfs/dbraw/zinc/98/01/24/374980124.db2.gz WMLUYVDOOFVEET-SCZZXKLOSA-N 0 0 266.301 1.262 20 5 CDBDRN CC[C@@H](CO)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256249 374987437 /nfs/dbraw/zinc/98/74/37/374987437.db2.gz GHCUUBDVASBXAO-QMMMGPOBSA-N 0 0 271.248 1.626 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1 ZINC000280330513 374991940 /nfs/dbraw/zinc/99/19/40/374991940.db2.gz UTQXEIQMTUWFMG-RISCZKNCSA-N 0 0 293.323 1.682 20 5 CDBDRN NC(=O)CC1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000280364120 374994960 /nfs/dbraw/zinc/99/49/60/374994960.db2.gz XVAZRBVKTVFLRK-UHFFFAOYSA-N 0 0 271.223 1.185 20 5 CDBDRN CS(=O)(=O)C1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000280418825 374995823 /nfs/dbraw/zinc/99/58/23/374995823.db2.gz JPDFQLIKZNKINO-UHFFFAOYSA-N 0 0 270.310 1.584 20 5 CDBDRN COC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000332032563 374997815 /nfs/dbraw/zinc/99/78/15/374997815.db2.gz ZFQSRFIVUYASML-UHFFFAOYSA-N 0 0 250.254 1.456 20 5 CDBDRN CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280533298 375002127 /nfs/dbraw/zinc/00/21/27/375002127.db2.gz CZUCKDRLNKLNBF-CQSZACIVSA-N 0 0 277.324 1.553 20 5 CDBDRN CC(C)OCCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332667722 375042396 /nfs/dbraw/zinc/04/23/96/375042396.db2.gz AVOTUBWQYCBIIE-UHFFFAOYSA-N 0 0 293.323 1.690 20 5 CDBDRN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000282410411 375084132 /nfs/dbraw/zinc/08/41/32/375084132.db2.gz QDSDPIVCZTWEOC-PELKAZGASA-N 0 0 281.287 1.348 20 5 CDBDRN COC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000282597778 375094473 /nfs/dbraw/zinc/09/44/73/375094473.db2.gz XQDDIRLXFATOJV-CMPLNLGQSA-N 0 0 298.314 1.970 20 5 CDBDRN CC(C)(C)NC(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332707302 375044039 /nfs/dbraw/zinc/04/40/39/375044039.db2.gz XKDPSGSLVBYHIC-UHFFFAOYSA-N 0 0 292.339 1.263 20 5 CDBDRN O=C(Cc1ncccc1F)NCc1ccc([N+](=O)[O-])cc1 ZINC000471783562 375055669 /nfs/dbraw/zinc/05/56/69/375055669.db2.gz XISMOTFLNFYYSA-UHFFFAOYSA-N 0 0 289.266 1.988 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOCC1 ZINC000283081473 375109467 /nfs/dbraw/zinc/10/94/67/375109467.db2.gz LALKVZBRYIBLKL-MRVPVSSYSA-N 0 0 297.286 1.615 20 5 CDBDRN CNC(=O)[C@]1(C)CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000282118665 375065525 /nfs/dbraw/zinc/06/55/25/375065525.db2.gz ZMPMUIYKIGXVAT-CQSZACIVSA-N 0 0 277.324 1.866 20 5 CDBDRN Cc1ccnc(N2CCC[C@H](n3ccnn3)C2)c1[N+](=O)[O-] ZINC000425284629 246755097 /nfs/dbraw/zinc/75/50/97/246755097.db2.gz VQOIZSLVEWANGH-NSHDSACASA-N 0 0 288.311 1.731 20 5 CDBDRN COc1cc(OCC(=O)N[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000299385944 375168071 /nfs/dbraw/zinc/16/80/71/375168071.db2.gz SBQOXLLRQSBTCH-LBPRGKRZSA-N 0 0 294.307 1.897 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCc1nc(CO)cs1 ZINC000302276101 375184784 /nfs/dbraw/zinc/18/47/84/375184784.db2.gz HWNAUONTHQTYBC-UHFFFAOYSA-N 0 0 280.309 1.859 20 5 CDBDRN Cc1[nH]nc(C(=O)N(C)[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000299610969 375184967 /nfs/dbraw/zinc/18/49/67/375184967.db2.gz UXSCELZTVAHPKB-SECBINFHSA-N 0 0 289.295 1.855 20 5 CDBDRN C[C@H](O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000131166571 375180214 /nfs/dbraw/zinc/18/02/14/375180214.db2.gz PDXGAWUDYZWYOF-JTQLQIEISA-N 0 0 254.286 1.286 20 5 CDBDRN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H]1CO ZINC000283305301 375112486 /nfs/dbraw/zinc/11/24/86/375112486.db2.gz XRAGBJIHRZEJQK-JVXZTZIISA-N 0 0 297.286 1.159 20 5 CDBDRN CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000126294675 375118837 /nfs/dbraw/zinc/11/88/37/375118837.db2.gz XWDDUTCCTNNISO-UHFFFAOYSA-N 0 0 258.299 1.455 20 5 CDBDRN CN(Cc1cn[nH]n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283687079 375119684 /nfs/dbraw/zinc/11/96/84/375119684.db2.gz GQJJYCCRVORGTE-UHFFFAOYSA-N 0 0 281.703 1.998 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[C@H](O)C1 ZINC000302688021 375235877 /nfs/dbraw/zinc/23/58/77/375235877.db2.gz QZYUSOTYEHZLQN-ONGXEEELSA-N 0 0 293.323 1.527 20 5 CDBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCCCC1 ZINC000299605166 375185707 /nfs/dbraw/zinc/18/57/07/375185707.db2.gz GVFWNOFWOXCVGF-UHFFFAOYSA-N 0 0 294.307 1.995 20 5 CDBDRN C[C@H](C(=O)NC(C)(C)C)N(C)c1ncccc1[N+](=O)[O-] ZINC000302390514 375198138 /nfs/dbraw/zinc/19/81/38/375198138.db2.gz FSESHTAKUDDSCL-SECBINFHSA-N 0 0 280.328 1.729 20 5 CDBDRN Cc1cccc(N2CCC(C(N)=O)CC2)c1[N+](=O)[O-] ZINC000302505536 375210738 /nfs/dbraw/zinc/21/07/38/375210738.db2.gz QFZLGRDXDSHAED-UHFFFAOYSA-N 0 0 263.297 1.605 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NOCC1CC1 ZINC000293861063 375222607 /nfs/dbraw/zinc/22/26/07/375222607.db2.gz VXDAEVWVBVOTCZ-UHFFFAOYSA-N 0 0 250.254 1.595 20 5 CDBDRN CCOCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000161935761 375222866 /nfs/dbraw/zinc/22/28/66/375222866.db2.gz PBZLOEYZTCIETH-UHFFFAOYSA-N 0 0 266.297 1.598 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CC2(C1)CCOC2 ZINC000294583974 296227277 /nfs/dbraw/zinc/22/72/77/296227277.db2.gz WQJGLBLEAGNWFQ-UHFFFAOYSA-N 0 0 252.226 1.050 20 5 CDBDRN COc1cc(C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000048398534 375300677 /nfs/dbraw/zinc/30/06/77/375300677.db2.gz GWFXEDQQXZKMSB-UHFFFAOYSA-N 0 0 262.168 1.304 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCc1nnnn1CC1CC1 ZINC000351544451 375305883 /nfs/dbraw/zinc/30/58/83/375305883.db2.gz MZDJIGLVIJHNFT-UHFFFAOYSA-N 0 0 289.299 1.307 20 5 CDBDRN O=[N+]([O-])c1cccc(OCCN2CCc3nn[nH]c3C2)c1 ZINC000351609463 375312122 /nfs/dbraw/zinc/31/21/22/375312122.db2.gz RTDRYMAPFYWEND-UHFFFAOYSA-N 0 0 289.295 1.150 20 5 CDBDRN C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000056460246 375316670 /nfs/dbraw/zinc/31/66/70/375316670.db2.gz PUIIOQFLCYGDRB-GHMZBOCLSA-N 0 0 293.323 1.914 20 5 CDBDRN Cc1noc(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351071339 375268780 /nfs/dbraw/zinc/26/87/80/375268780.db2.gz CYIFIHBFCWVINF-UHFFFAOYSA-N 0 0 277.240 1.429 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCS1 ZINC000131739796 375331725 /nfs/dbraw/zinc/33/17/25/375331725.db2.gz OFMIXMIYFKVDKG-SNVBAGLBSA-N 0 0 296.348 1.985 20 5 CDBDRN Cc1cc(C(=O)N2C[C@H](O)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000351851924 375336719 /nfs/dbraw/zinc/33/67/19/375336719.db2.gz BCWKTYGRQSBKMD-CABZTGNLSA-N 0 0 264.281 1.356 20 5 CDBDRN CCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351898824 375339783 /nfs/dbraw/zinc/33/97/83/375339783.db2.gz KTSLNYHYKRAPSD-UHFFFAOYSA-N 0 0 272.326 1.852 20 5 CDBDRN COC(=O)[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000351914591 375340829 /nfs/dbraw/zinc/34/08/29/375340829.db2.gz AHOYRZRQRNTQFJ-SSDOTTSWSA-N 0 0 292.247 1.632 20 5 CDBDRN Cc1c(C(=O)N(C)CCO)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132087302 375403233 /nfs/dbraw/zinc/40/32/33/375403233.db2.gz JPHLDIRBDKAWGJ-UHFFFAOYSA-N 0 0 297.267 1.184 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C)CO ZINC000132223970 375417958 /nfs/dbraw/zinc/41/79/58/375417958.db2.gz UIVYTKZYFBORIQ-SNVBAGLBSA-N 0 0 281.312 1.154 20 5 CDBDRN Cn1c(C(=O)N2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000344768747 375432062 /nfs/dbraw/zinc/43/20/62/375432062.db2.gz UGWZNXOJKIZORK-LLVKDONJSA-N 0 0 295.339 1.820 20 5 CDBDRN Cn1c(C(=O)N2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000344768751 375432730 /nfs/dbraw/zinc/43/27/30/375432730.db2.gz UGWZNXOJKIZORK-NSHDSACASA-N 0 0 295.339 1.820 20 5 CDBDRN CNC(=O)c1ccc(N2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000227157325 375454085 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CCCN(CCO)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000443953960 250066937 /nfs/dbraw/zinc/06/69/37/250066937.db2.gz ZKKYWKKTYXHCRB-UHFFFAOYSA-N 0 0 282.296 1.448 20 5 CDBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(C)cc1O ZINC000444645430 250157092 /nfs/dbraw/zinc/15/70/92/250157092.db2.gz HCFUGDQBKTWFSZ-UHFFFAOYSA-N 0 0 290.279 1.903 20 5 CDBDRN Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(C)cc1O ZINC000444650799 250160401 /nfs/dbraw/zinc/16/04/01/250160401.db2.gz NSBOQSXPNBWPNR-UHFFFAOYSA-N 0 0 290.279 1.903 20 5 CDBDRN C[C@H](C[C@@H]1CCCO1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445190195 250210924 /nfs/dbraw/zinc/21/09/24/250210924.db2.gz PPDYLPIDHZPYTN-SCZZXKLOSA-N 0 0 295.295 1.383 20 5 CDBDRN COc1cc(N[C@@H]2CC(=O)N(C)C2)c(F)cc1[N+](=O)[O-] ZINC000278783179 194152304 /nfs/dbraw/zinc/15/23/04/194152304.db2.gz PLTZUJAEXUCMHC-SSDOTTSWSA-N 0 0 283.259 1.385 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1Cc1ncnn1CC(F)F ZINC000447310518 250359061 /nfs/dbraw/zinc/35/90/61/250359061.db2.gz YLYCGZIEHBKOOA-UHFFFAOYSA-N 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282.691 1.114 20 5 CDBDRN COC(=O)c1cnc(NC[C@@H](O)C2CCC2)c([N+](=O)[O-])c1 ZINC000450920298 251542522 /nfs/dbraw/zinc/54/25/22/251542522.db2.gz VQYNJEBBIGQCDS-LLVKDONJSA-N 0 0 295.295 1.349 20 5 CDBDRN COC(=O)c1cc(C(=O)N2CC3(CC3)C2)cc([N+](=O)[O-])c1 ZINC000452269424 252004492 /nfs/dbraw/zinc/00/44/92/252004492.db2.gz BAEANUHUKCULOQ-UHFFFAOYSA-N 0 0 290.275 1.617 20 5 CDBDRN COc1cc(C(=O)N2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000452366059 252039022 /nfs/dbraw/zinc/03/90/22/252039022.db2.gz HWZQQWRAOAAYNR-MRVPVSSYSA-N 0 0 298.270 1.796 20 5 CDBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](F)C1 ZINC000452366566 252039547 /nfs/dbraw/zinc/03/95/47/252039547.db2.gz CNRNEOCWYKHHQY-SSDOTTSWSA-N 0 0 278.243 1.655 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)C1 ZINC000452378560 252046776 /nfs/dbraw/zinc/04/67/76/252046776.db2.gz PBNOZKHXIWXYPF-SECBINFHSA-N 0 0 268.244 1.544 20 5 CDBDRN O=C(NC(CF)CF)c1cc(F)cc([N+](=O)[O-])c1 ZINC000452322881 252020369 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CCN(CCC(=O)NC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000888259439 620580598 /nfs/dbraw/zinc/58/05/98/620580598.db2.gz PSFHIBFFLJLWAF-UHFFFAOYSA-N 0 0 293.323 1.501 20 5 CDBDRN C[C@@H]1COC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928902153 620606415 /nfs/dbraw/zinc/60/64/15/620606415.db2.gz IJDVAPOWQACESO-KCJUWKMLSA-N 0 0 289.291 1.841 20 5 CDBDRN C[C@H](C(=O)N[C@H]1COC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000928906568 620610988 /nfs/dbraw/zinc/61/09/88/620610988.db2.gz ABCRKTRLMHEEHK-KWBADKCTSA-N 0 0 278.308 1.849 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC/C=C/CO)c1C ZINC000898665512 621835537 /nfs/dbraw/zinc/83/55/37/621835537.db2.gz JJZOLVCATAEDKU-ONEGZZNKSA-N 0 0 264.281 1.490 20 5 CDBDRN COC(=O)Cc1ccc(OCC[N+](=O)[O-])c(F)c1 ZINC000899231718 622106802 /nfs/dbraw/zinc/10/68/02/622106802.db2.gz GISVZSDFFAQMBR-UHFFFAOYSA-N 0 0 257.217 1.197 20 5 CDBDRN CN1CC(=O)N[C@@H]1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899370811 622218480 /nfs/dbraw/zinc/21/84/80/622218480.db2.gz 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1.631 20 5 CDBDRN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000585789251 342456231 /nfs/dbraw/zinc/45/62/31/342456231.db2.gz LZAOGUXMWPREKD-VXNVDRBHSA-N 0 0 267.260 1.292 20 5 CDBDRN C[C@H]1OCC[C@@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000601071434 342462314 /nfs/dbraw/zinc/46/23/14/342462314.db2.gz YHFNISJIJOYYEJ-RKDXNWHRSA-N 0 0 290.275 1.616 20 5 CDBDRN O=c1c([N+](=O)[O-])cccn1Cc1cccc2c1CCOC2 ZINC000601075973 342462635 /nfs/dbraw/zinc/46/26/35/342462635.db2.gz IYLDGURHPVPOIU-UHFFFAOYSA-N 0 0 286.287 1.878 20 5 CDBDRN CCn1nncc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000600155061 341981023 /nfs/dbraw/zinc/98/10/23/341981023.db2.gz CTZYYTALWPBOBA-UHFFFAOYSA-N 0 0 289.295 1.445 20 5 CDBDRN CCn1nncc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000600156461 341981155 /nfs/dbraw/zinc/98/11/55/341981155.db2.gz PKUXSEMSHRLLDO-UHFFFAOYSA-N 0 0 281.297 1.198 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([C@@H]2CCOC2)CC1 ZINC000586806738 342470323 /nfs/dbraw/zinc/47/03/23/342470323.db2.gz IMVURNQHONAXSL-SNVBAGLBSA-N 0 0 294.311 1.207 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000600217926 341986204 /nfs/dbraw/zinc/98/62/04/341986204.db2.gz FHKBOSWRKKQZIF-OCAPTIKFSA-N 0 0 264.285 1.533 20 5 CDBDRN O=c1[nH][nH]cc1CCCNc1ccccc1[N+](=O)[O-] ZINC000601195119 342488721 /nfs/dbraw/zinc/48/87/21/342488721.db2.gz DPPOUBFDSSNGRF-VIFPVBQESA-N 0 0 262.269 1.519 20 5 CDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000618367348 349446150 /nfs/dbraw/zinc/44/61/50/349446150.db2.gz XMEINGHMECTQFX-UHFFFAOYSA-N 0 0 263.278 1.981 20 5 CDBDRN Nc1c(F)c(N2CCO[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000589871510 342516276 /nfs/dbraw/zinc/51/62/76/342516276.db2.gz MNQYPKSZZMWXON-DTWKUNHWSA-N 0 0 253.233 1.294 20 5 CDBDRN Cc1c(CNc2cncc3ncnn32)cccc1[N+](=O)[O-] ZINC000616388195 341996812 /nfs/dbraw/zinc/99/68/12/341996812.db2.gz KBZDQUDVNSQEOJ-UHFFFAOYSA-N 0 0 284.279 1.953 20 5 CDBDRN CCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601284437 342549037 /nfs/dbraw/zinc/54/90/37/342549037.db2.gz HMWFLISGFRUTGI-UHFFFAOYSA-N 0 0 276.289 1.731 20 5 CDBDRN CCOC(=O)C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601319210 342552876 /nfs/dbraw/zinc/55/28/76/342552876.db2.gz JJFXIODBEDZXSX-MRVPVSSYSA-N 0 0 298.270 1.805 20 5 CDBDRN CCNc1ccc(C(=O)NC2(COC)CC2)cc1[N+](=O)[O-] ZINC000533198409 282100885 /nfs/dbraw/zinc/10/08/85/282100885.db2.gz FPRHURYCBQYYCM-UHFFFAOYSA-N 0 0 293.323 1.935 20 5 CDBDRN C[C@H](CCO)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533238400 282105068 /nfs/dbraw/zinc/10/50/68/282105068.db2.gz NSDNBPCVNVKXLX-MRVPVSSYSA-N 0 0 296.279 1.072 20 5 CDBDRN COC(=O)c1cc(C)nc(N2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000342827350 361749391 /nfs/dbraw/zinc/74/93/91/361749391.db2.gz YMMDVYVCQYQVDD-SECBINFHSA-N 0 0 295.295 1.310 20 5 CDBDRN COC(=O)[C@@](C)(O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000342841574 361769103 /nfs/dbraw/zinc/76/91/03/361769103.db2.gz OVQWBBHYKFAOIO-NSHDSACASA-N 0 0 272.232 1.070 20 5 CDBDRN CN(CCc1ccccn1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000342844853 361770966 /nfs/dbraw/zinc/77/09/66/361770966.db2.gz VCWBGMCMABCFRV-UHFFFAOYSA-N 0 0 288.307 1.643 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[C@@H]1C ZINC000042052885 342044861 /nfs/dbraw/zinc/04/48/61/342044861.db2.gz ODKMHQWVUREZAY-VHSXEESVSA-N 0 0 291.307 1.614 20 5 CDBDRN COCCCN(C)c1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000590574819 342577219 /nfs/dbraw/zinc/57/72/19/342577219.db2.gz NURRRMXHQYCKGE-UHFFFAOYSA-N 0 0 283.284 1.249 20 5 CDBDRN CSCCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000608790752 342048198 /nfs/dbraw/zinc/04/81/98/342048198.db2.gz GUMXJUAILGMYPE-UHFFFAOYSA-N 0 0 298.368 1.669 20 5 CDBDRN Cc1ccc(C(=O)NCCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000045924745 342048807 /nfs/dbraw/zinc/04/88/07/342048807.db2.gz CRBGGRAQKQPYMV-UHFFFAOYSA-N 0 0 293.323 1.548 20 5 CDBDRN C[C@@H](O)CCN(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235239558 342048956 /nfs/dbraw/zinc/04/89/56/342048956.db2.gz GGZGDHHZVOEYSI-MNOVXSKESA-N 0 0 280.324 1.928 20 5 CDBDRN C[C@H](O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000533338147 282113181 /nfs/dbraw/zinc/11/31/81/282113181.db2.gz HKEWFZCXSPWGOU-UWVGGRQHSA-N 0 0 281.312 1.166 20 5 CDBDRN C[C@H](C(=O)N1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000235439395 342050255 /nfs/dbraw/zinc/05/02/55/342050255.db2.gz YRDKYTLXVGVAKK-RYUDHWBXSA-N 0 0 292.335 1.929 20 5 CDBDRN CC(=O)c1cc(Cn2nc(C)c([N+](=O)[O-])c2C)on1 ZINC000590597127 342579436 /nfs/dbraw/zinc/57/94/36/342579436.db2.gz NSUOAWJIPMLBPH-UHFFFAOYSA-N 0 0 264.241 1.647 20 5 CDBDRN CC[C@H](CCO)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000234019932 342042182 /nfs/dbraw/zinc/04/21/82/342042182.db2.gz HENZDXQBXFRHJM-ZYHUDNBSSA-N 0 0 280.324 1.976 20 5 CDBDRN CNC(=O)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120213527 342056655 /nfs/dbraw/zinc/05/66/55/342056655.db2.gz ICQYLNWDXVMDPZ-SECBINFHSA-N 0 0 294.311 1.468 20 5 CDBDRN C[C@H](NC(=O)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000289825836 361813826 /nfs/dbraw/zinc/81/38/26/361813826.db2.gz NVZOURGGTIXWQE-QMMMGPOBSA-N 0 0 275.268 1.214 20 5 CDBDRN CC1(C)C[C@H](O)CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000590726359 342584608 /nfs/dbraw/zinc/58/46/08/342584608.db2.gz OIAVPQUMPAJHJJ-SNVBAGLBSA-N 0 0 265.313 1.977 20 5 CDBDRN C[C@H]1COCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590707980 342585298 /nfs/dbraw/zinc/58/52/98/342585298.db2.gz RAPFDWQQFPUEQS-VIFPVBQESA-N 0 0 274.280 1.763 20 5 CDBDRN CC(C)c1nnc(CNc2cccnc2[N+](=O)[O-])[nH]1 ZINC000590709594 342585463 /nfs/dbraw/zinc/58/54/63/342585463.db2.gz XZMFHDDPPXSJEV-UHFFFAOYSA-N 0 0 262.273 1.843 20 5 CDBDRN Cc1nc(N[C@H](C)c2cnccn2)ccc1[N+](=O)[O-] ZINC000590712373 342585585 /nfs/dbraw/zinc/58/55/85/342585585.db2.gz YWFXWQNUCAVRIB-MRVPVSSYSA-N 0 0 259.269 1.683 20 5 CDBDRN Cc1nn(C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000590739161 342586454 /nfs/dbraw/zinc/58/64/54/342586454.db2.gz IINZGPSRJUVKRM-SNVBAGLBSA-N 0 0 275.264 1.940 20 5 CDBDRN Cc1cc(C(=O)NC[C@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000457188740 365608232 /nfs/dbraw/zinc/60/82/32/365608232.db2.gz NIMDQLVECCIHRE-AWEZNQCLSA-N 0 0 291.307 1.302 20 5 CDBDRN CNc1c(Cl)ncnc1NCCn1cc([N+](=O)[O-])cn1 ZINC000125098870 187169615 /nfs/dbraw/zinc/16/96/15/187169615.db2.gz SWDBBKNSKOTUMI-UHFFFAOYSA-N 0 0 297.706 1.389 20 5 CDBDRN CNc1nc(C(=O)NCCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000590829752 342599206 /nfs/dbraw/zinc/59/92/06/342599206.db2.gz UGTVAPZQQPZLET-UHFFFAOYSA-N 0 0 296.327 1.576 20 5 CDBDRN Cc1ncsc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609182525 342093210 /nfs/dbraw/zinc/09/32/10/342093210.db2.gz GPMQODXXAHKFEB-UHFFFAOYSA-N 0 0 280.309 1.628 20 5 CDBDRN Cc1c(CNC(=O)N2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590941360 342609959 /nfs/dbraw/zinc/60/99/59/342609959.db2.gz ZMEIETHSSIKGTB-ZWNOBZJWSA-N 0 0 293.323 1.568 20 5 CDBDRN CN(Cc1ccc(F)cc1)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000047169124 342097488 /nfs/dbraw/zinc/09/74/88/342097488.db2.gz HPVYKTNKKQFVTA-UHFFFAOYSA-N 0 0 292.270 1.589 20 5 CDBDRN CC(C)OC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000609331236 342102568 /nfs/dbraw/zinc/10/25/68/342102568.db2.gz RJKYBEQIYHVGMA-UHFFFAOYSA-N 0 0 296.327 1.207 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cocn1 ZINC000609353532 342103846 /nfs/dbraw/zinc/10/38/46/342103846.db2.gz UZXCTHSEHLOCBW-UHFFFAOYSA-N 0 0 297.292 1.370 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCSC1 ZINC000082965782 178331003 /nfs/dbraw/zinc/33/10/03/178331003.db2.gz GGCQRAYTHGEYMN-ZDUSSCGKSA-N 0 0 296.348 1.501 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](CCO)C2)c(F)c1 ZINC000591147716 342618633 /nfs/dbraw/zinc/61/86/33/342618633.db2.gz BTTJNDSLVHOGKO-QMMMGPOBSA-N 0 0 255.249 1.338 20 5 CDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](C2CCC2)C1 ZINC000591127087 342619150 /nfs/dbraw/zinc/61/91/50/342619150.db2.gz LOOPGUFBDREOQY-NSHDSACASA-N 0 0 278.312 1.440 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC([C@H]3CCOC3)C2)c(F)c1 ZINC000591159697 342620298 /nfs/dbraw/zinc/62/02/98/342620298.db2.gz FHZHRUHJDJUNTC-QMMMGPOBSA-N 0 0 267.260 1.602 20 5 CDBDRN CC(C)[C@@H]1N(c2c([N+](=O)[O-])ncn2C)CC12CCOCC2 ZINC000591195628 342620908 /nfs/dbraw/zinc/62/09/08/342620908.db2.gz BOKRRNLTUCKABL-NSHDSACASA-N 0 0 294.355 1.970 20 5 CDBDRN COCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000591320406 342625694 /nfs/dbraw/zinc/62/56/94/342625694.db2.gz UTYCRACEFATQFN-KOLCDFICSA-N 0 0 296.327 1.595 20 5 CDBDRN CC[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000616690608 342128337 /nfs/dbraw/zinc/12/83/37/342128337.db2.gz VPGPYMJMSOOSCD-AWEZNQCLSA-N 0 0 294.307 1.659 20 5 CDBDRN C[C@@H](C[C@H]1CCOC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000591460320 342633378 /nfs/dbraw/zinc/63/33/78/342633378.db2.gz JAIPPFLXVSXGJE-VHSXEESVSA-N 0 0 293.323 1.921 20 5 CDBDRN C[C@@H](O)C[C@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000310750636 342135004 /nfs/dbraw/zinc/13/50/04/342135004.db2.gz VDYQGMMYIYGXJN-RKDXNWHRSA-N 0 0 254.290 1.068 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2COCCO2)n1 ZINC000611616965 346838257 /nfs/dbraw/zinc/83/82/57/346838257.db2.gz YWQGMZJFWYBCCM-JTQLQIEISA-N 0 0 267.285 1.434 20 5 CDBDRN CC(=O)NCCN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000592210788 342678501 /nfs/dbraw/zinc/67/85/01/342678501.db2.gz BLPMFDATSJZPGB-UHFFFAOYSA-N 0 0 294.311 1.503 20 5 CDBDRN COC(=O)[C@H]1C[C@@H](O)CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000592007270 342661478 /nfs/dbraw/zinc/66/14/78/342661478.db2.gz YOXNZHSQABRUBQ-WCBMZHEXSA-N 0 0 298.270 1.094 20 5 CDBDRN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cn1 ZINC000340580964 361854123 /nfs/dbraw/zinc/85/41/23/361854123.db2.gz OTSXYQZLBFTYTE-UHFFFAOYSA-N 0 0 276.252 1.257 20 5 CDBDRN CC[C@@H](C)C[C@H](CO)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000592875288 342742912 /nfs/dbraw/zinc/74/29/12/342742912.db2.gz SMTMUOLRVDVMBR-VXNVDRBHSA-N 0 0 284.316 1.153 20 5 CDBDRN CN(C(=O)c1ccc2nnnn2c1)c1cccc([N+](=O)[O-])c1 ZINC000533606565 282143266 /nfs/dbraw/zinc/14/32/66/282143266.db2.gz RKJCGKSNZKRKHX-UHFFFAOYSA-N 0 0 298.262 1.309 20 5 CDBDRN C[C@@H]1SCC[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000592734342 342723379 /nfs/dbraw/zinc/72/33/79/342723379.db2.gz FNVVTLDGTMKKDR-WPRPVWTQSA-N 0 0 298.368 1.537 20 5 CDBDRN C[C@H]1SCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000592735750 342723659 /nfs/dbraw/zinc/72/36/59/342723659.db2.gz PYCPIZRRUHKAEA-SKDRFNHKSA-N 0 0 296.348 1.984 20 5 CDBDRN CNc1nc(C(=O)N2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000455993726 361868056 /nfs/dbraw/zinc/86/80/56/361868056.db2.gz HBIQAJUSQOKURC-UHFFFAOYSA-N 0 0 276.296 1.824 20 5 CDBDRN CC[C@H](C)[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269590748 190517273 /nfs/dbraw/zinc/51/72/73/190517273.db2.gz DOMRSAVIPHDSOW-VHSXEESVSA-N 0 0 281.312 1.307 20 5 CDBDRN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000048245032 342166226 /nfs/dbraw/zinc/16/62/26/342166226.db2.gz JVHXHERGPPMHMD-JTQLQIEISA-N 0 0 289.295 1.106 20 5 CDBDRN C[C@H]1OCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000593092638 342765129 /nfs/dbraw/zinc/76/51/29/342765129.db2.gz ACEXZZJFSKXIGF-NXEZZACHSA-N 0 0 296.298 1.912 20 5 CDBDRN CC(C)(C)N1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1=O ZINC000267765985 361880929 /nfs/dbraw/zinc/88/09/29/361880929.db2.gz ZGUCYPRSIKCEAC-SECBINFHSA-N 0 0 278.312 1.801 20 5 CDBDRN C[C@@H](CCO)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000593107981 342768835 /nfs/dbraw/zinc/76/88/35/342768835.db2.gz RZILJLJGFJYFLF-VIFPVBQESA-N 0 0 256.277 1.937 20 5 CDBDRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593114061 342769976 /nfs/dbraw/zinc/76/99/76/342769976.db2.gz LRHBLEDAHRIEFX-SKDRFNHKSA-N 0 0 296.298 1.960 20 5 CDBDRN CCC1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])COC1 ZINC000593169136 342775175 /nfs/dbraw/zinc/77/51/75/342775175.db2.gz LRKKHJAGDSKFCH-UHFFFAOYSA-N 0 0 296.298 1.819 20 5 CDBDRN CS[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000593226244 342777073 /nfs/dbraw/zinc/77/70/73/342777073.db2.gz CFDVBQFJQFXTID-GHMZBOCLSA-N 0 0 298.368 1.582 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccnc1C ZINC000600392240 342181897 /nfs/dbraw/zinc/18/18/97/342181897.db2.gz XODDQMVGVPSVBK-UHFFFAOYSA-N 0 0 289.295 1.120 20 5 CDBDRN O=C1N=NC(Cn2cc([N+](=O)[O-])c(C3CC3)n2)S1 ZINC000593423012 342800476 /nfs/dbraw/zinc/80/04/76/342800476.db2.gz RXGKEWQZRDGZAG-UHFFFAOYSA-N 0 0 267.270 1.274 20 5 CDBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)CO1 ZINC000593286174 342784088 /nfs/dbraw/zinc/78/40/88/342784088.db2.gz WWZMCXNBJYVCCI-IUCAKERBSA-N 0 0 268.269 1.827 20 5 CDBDRN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000593383477 342793207 /nfs/dbraw/zinc/79/32/07/342793207.db2.gz WNGVOPHWYGGEMR-AOOOYVTPSA-N 0 0 296.298 1.912 20 5 CDBDRN CCN1C[C@H](CNc2cc(OC)ccc2[N+](=O)[O-])CC1=O ZINC000593499064 342808193 /nfs/dbraw/zinc/80/81/93/342808193.db2.gz MTLWJXQBMCXOOT-JTQLQIEISA-N 0 0 293.323 1.884 20 5 CDBDRN Nc1nc(N2CCC3(CC3(F)F)CC2)ncc1[N+](=O)[O-] ZINC000593498755 342808314 /nfs/dbraw/zinc/80/83/14/342808314.db2.gz PLJOCRXVVPXAEJ-UHFFFAOYSA-N 0 0 285.254 1.423 20 5 CDBDRN 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ASDBLROMXHTLHM-UHFFFAOYSA-N 0 0 268.660 1.919 20 5 CDBDRN Cc1ccc([C@H](C)NC(=O)c2cn[nH]n2)cc1[N+](=O)[O-] ZINC000177866418 189075330 /nfs/dbraw/zinc/07/53/30/189075330.db2.gz JTVJKJIEMPVXMO-QMMMGPOBSA-N 0 0 275.268 1.512 20 5 CDBDRN O=C(Cc1cccnc1)NCCc1ccccc1[N+](=O)[O-] ZINC000358882830 219849261 /nfs/dbraw/zinc/84/92/61/219849261.db2.gz FVHBNHHEAAWQTK-UHFFFAOYSA-N 0 0 285.303 1.891 20 5 CDBDRN COC(=O)[C@H]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297265591 360660268 /nfs/dbraw/zinc/66/02/68/360660268.db2.gz WHALFQSEULALPU-VIFPVBQESA-N 0 0 280.284 1.083 20 5 CDBDRN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cncs1 ZINC000348293227 360700820 /nfs/dbraw/zinc/70/08/20/360700820.db2.gz ZEIWIBXAFCGIIB-MRVPVSSYSA-N 0 0 295.324 1.515 20 5 CDBDRN Cc1nc(CN2CCc3c2cccc3[N+](=O)[O-])no1 ZINC000178950933 189156820 /nfs/dbraw/zinc/15/68/20/189156820.db2.gz ONUFSPYKCXBVQK-UHFFFAOYSA-N 0 0 260.253 1.849 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCOC[C@@H]2CCCO2)s1 ZINC000575122741 360839904 /nfs/dbraw/zinc/83/99/04/360839904.db2.gz YYAHUHOORRGYDG-QMMMGPOBSA-N 0 0 273.314 1.081 20 5 CDBDRN C[C@@H]1C[C@H](C)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000179098484 189169407 /nfs/dbraw/zinc/16/94/07/189169407.db2.gz YVCIWKZKMLGSEK-GHMZBOCLSA-N 0 0 280.328 1.686 20 5 CDBDRN CNc1nc(C(=O)N[C@@H](C)CC2CC2)ccc1[N+](=O)[O-] ZINC000455646945 360875638 /nfs/dbraw/zinc/87/56/38/360875638.db2.gz AWFRRSLLHNDUOL-QMMMGPOBSA-N 0 0 278.312 1.950 20 5 CDBDRN COc1ccc(C(=O)N2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000544777569 360916620 /nfs/dbraw/zinc/91/66/20/360916620.db2.gz ROKKLZKALPCZFY-AWEZNQCLSA-N 0 0 294.307 1.590 20 5 CDBDRN NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000575136807 360926744 /nfs/dbraw/zinc/92/67/44/360926744.db2.gz KZPBSPBPSYQOPP-ZJUUUORDSA-N 0 0 281.243 1.184 20 5 CDBDRN Cc1ccc(CN(CC(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000179657743 189210656 /nfs/dbraw/zinc/21/06/56/189210656.db2.gz OYJUZVKBNGQNMA-UHFFFAOYSA-N 0 0 265.313 1.599 20 5 CDBDRN COC[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000234855717 360965488 /nfs/dbraw/zinc/96/54/88/360965488.db2.gz PJORDMTVFGEPJF-LURJTMIESA-N 0 0 261.665 1.062 20 5 CDBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cncs1 ZINC000355114387 360960490 /nfs/dbraw/zinc/96/04/90/360960490.db2.gz QTBKRMRWXONMMQ-RXMQYKEDSA-N 0 0 267.270 1.265 20 5 CDBDRN Cc1c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000179906271 189226987 /nfs/dbraw/zinc/22/69/87/189226987.db2.gz BWVUSVJLJPBECH-UHFFFAOYSA-N 0 0 288.307 1.496 20 5 CDBDRN Cc1nn(C[C@H](O)COCC(C)C)cc1[N+](=O)[O-] ZINC000179856785 189224199 /nfs/dbraw/zinc/22/41/99/189224199.db2.gz COTXMAOZSWZDGE-JTQLQIEISA-N 0 0 257.290 1.133 20 5 CDBDRN CO[C@@H]([C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000455030227 252379402 /nfs/dbraw/zinc/37/94/02/252379402.db2.gz CMZPRVCTEFPERI-PELKAZGASA-N 0 0 294.311 1.347 20 5 CDBDRN CC[C@](C)(CNC(=O)Nc1ccncc1[N+](=O)[O-])OC ZINC000455031743 252379646 /nfs/dbraw/zinc/37/96/46/252379646.db2.gz AMFSXHGEPMSSFT-GFCCVEGCSA-N 0 0 282.300 1.348 20 5 CDBDRN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)c1O ZINC000178792791 238403294 /nfs/dbraw/zinc/40/32/94/238403294.db2.gz ZGLNXHFSMVHAEX-UHFFFAOYSA-N 0 0 290.279 1.752 20 5 CDBDRN O=[N+]([O-])c1ccc(NCCCOCCO)c([N+](=O)[O-])c1 ZINC000180544248 189261262 /nfs/dbraw/zinc/26/12/62/189261262.db2.gz QSBNCCWAYNDDTN-UHFFFAOYSA-N 0 0 285.256 1.314 20 5 CDBDRN CO[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000180836074 189279110 /nfs/dbraw/zinc/27/91/10/189279110.db2.gz QDIJVYXYLDHVIY-LLVKDONJSA-N 0 0 295.339 1.968 20 5 CDBDRN CO[C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000267617326 361223444 /nfs/dbraw/zinc/22/34/44/361223444.db2.gz MOCOMLSGGYEROD-JTQLQIEISA-N 0 0 264.281 1.764 20 5 CDBDRN COC(=O)[C@@H]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000345626138 361277123 /nfs/dbraw/zinc/27/71/23/361277123.db2.gz ONBWCICZHFFYHT-VXNVDRBHSA-N 0 0 298.320 1.728 20 5 CDBDRN COc1ccc(C(=O)N2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000267645649 361256092 /nfs/dbraw/zinc/25/60/92/361256092.db2.gz UUMOHHQAXMNRCG-JTQLQIEISA-N 0 0 280.280 1.464 20 5 CDBDRN CC[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000035114967 361257270 /nfs/dbraw/zinc/25/72/70/361257270.db2.gz HYLXPBOXXHRXSQ-QMMMGPOBSA-N 0 0 253.258 1.487 20 5 CDBDRN O=C1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000267687054 361300079 /nfs/dbraw/zinc/30/00/79/361300079.db2.gz QDDGVGAGAMARRX-MRVPVSSYSA-N 0 0 279.271 1.909 20 5 CDBDRN CCOC(=O)[C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000267682029 361300554 /nfs/dbraw/zinc/30/05/54/361300554.db2.gz PLNWKDVIXALRDF-QMMMGPOBSA-N 0 0 253.258 1.601 20 5 CDBDRN Cc1ccc(OS(=O)(=O)CCCF)cc1[N+](=O)[O-] ZINC000151695643 361312412 /nfs/dbraw/zinc/31/24/12/361312412.db2.gz ARHHUBWKSYXPFT-UHFFFAOYSA-N 0 0 277.273 1.971 20 5 CDBDRN Nc1nc(NCCOCc2ccccc2)ncc1[N+](=O)[O-] ZINC000301459949 201015778 /nfs/dbraw/zinc/01/57/78/201015778.db2.gz DEOZZGUCWREBPR-UHFFFAOYSA-N 0 0 289.295 1.596 20 5 CDBDRN CCOCCS(=O)(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000151706848 361383570 /nfs/dbraw/zinc/38/35/70/361383570.db2.gz PFLCKQLPWBUQOT-UHFFFAOYSA-N 0 0 289.309 1.648 20 5 CDBDRN CC(=O)c1ccc(N[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC000301667016 201125391 /nfs/dbraw/zinc/12/53/91/201125391.db2.gz OURYKNFEVDQYMA-LBPRGKRZSA-N 0 0 291.307 1.830 20 5 CDBDRN CC(=O)N1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000301687374 201137448 /nfs/dbraw/zinc/13/74/48/201137448.db2.gz XILQBKYIZALWPN-JTQLQIEISA-N 0 0 264.285 1.331 20 5 CDBDRN O=C(C[C@@H]1COC(=O)C1)OCc1ccc([N+](=O)[O-])cc1 ZINC000151174073 363797556 /nfs/dbraw/zinc/79/75/56/363797556.db2.gz SMPDFMYSEVFOIO-JTQLQIEISA-N 0 0 279.248 1.591 20 5 CDBDRN Cc1nc(NCCCNC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000301816058 201214029 /nfs/dbraw/zinc/21/40/29/201214029.db2.gz GYERKUHXZXOGHZ-UHFFFAOYSA-N 0 0 280.328 1.872 20 5 CDBDRN CCN(C)C(=O)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000184457797 189386441 /nfs/dbraw/zinc/38/64/41/189386441.db2.gz UUHMMBQSWFMGJQ-UHFFFAOYSA-N 0 0 279.296 1.111 20 5 CDBDRN C[C@@]1(CO)CCC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301862322 201237673 /nfs/dbraw/zinc/23/76/73/201237673.db2.gz FPHZQMNQQWDGEH-ZANVPECISA-N 0 0 291.311 1.601 20 5 CDBDRN CNc1nc(C(=O)NC[C@H](O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000455976321 361655084 /nfs/dbraw/zinc/65/50/84/361655084.db2.gz UWBSEFNSLVEFLV-JTQLQIEISA-N 0 0 296.327 1.168 20 5 CDBDRN COc1cc(C(=O)N[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000135161064 361697023 /nfs/dbraw/zinc/69/70/23/361697023.db2.gz TXGFDECCFOFFCM-SCZZXKLOSA-N 0 0 280.280 1.511 20 5 CDBDRN NC(=O)[C@@H]1CC[C@H](CNc2sccc2[N+](=O)[O-])O1 ZINC000302037956 201313329 /nfs/dbraw/zinc/31/33/29/201313329.db2.gz VMLQZJRJYFSXEA-SVRRBLITSA-N 0 0 271.298 1.101 20 5 CDBDRN O=[N+]([O-])c1ccc(NCCn2ccnn2)cc1OC(F)F ZINC000302165628 201376278 /nfs/dbraw/zinc/37/62/78/201376278.db2.gz KSCNNLWOLKIEMU-UHFFFAOYSA-N 0 0 299.237 1.900 20 5 CDBDRN Cn1cc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000545292327 363860641 /nfs/dbraw/zinc/86/06/41/363860641.db2.gz HEKDEIFMWJPKCP-UHFFFAOYSA-N 0 0 278.316 1.050 20 5 CDBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C ZINC000456157347 363888995 /nfs/dbraw/zinc/88/89/95/363888995.db2.gz AUCLRHOOELEVGN-UHFFFAOYSA-N 0 0 280.328 1.915 20 5 CDBDRN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccco1 ZINC000298863889 239346568 /nfs/dbraw/zinc/34/65/68/239346568.db2.gz RQHQUKXYHAUMCU-JTQLQIEISA-N 0 0 292.295 1.549 20 5 CDBDRN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC(F)(F)CO ZINC000580784187 363946681 /nfs/dbraw/zinc/94/66/81/363946681.db2.gz QKSLARAYSUYKFC-JTQLQIEISA-N 0 0 272.251 1.799 20 5 CDBDRN CN(CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267940286 363922584 /nfs/dbraw/zinc/92/25/84/363922584.db2.gz QDJYGICRMRVPMT-UHFFFAOYSA-N 0 0 278.268 1.069 20 5 CDBDRN CC(C)Oc1nc(N2CC[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000581499549 364003433 /nfs/dbraw/zinc/00/34/33/364003433.db2.gz JULXUUIURUAOJS-JQWIXIFHSA-N 0 0 295.339 1.984 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCSC[C@H]1C1CC1 ZINC000456207629 364006385 /nfs/dbraw/zinc/00/63/85/364006385.db2.gz SLBZBMLBJRCTRN-JTQLQIEISA-N 0 0 296.352 1.296 20 5 CDBDRN COC[C@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000267949897 363952448 /nfs/dbraw/zinc/95/24/48/363952448.db2.gz JSLFJRAJIZIAHS-SNVBAGLBSA-N 0 0 298.295 1.109 20 5 CDBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(O)CC1 ZINC000267965420 363979907 /nfs/dbraw/zinc/97/99/07/363979907.db2.gz RPWMKWNCHFZCRL-UHFFFAOYSA-N 0 0 278.308 1.511 20 5 CDBDRN CC(C)Oc1nc(NCCC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000582251990 364079080 /nfs/dbraw/zinc/07/90/80/364079080.db2.gz QHNRONUJRYANLK-UHFFFAOYSA-N 0 0 296.327 1.089 20 5 CDBDRN CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000345825483 364023587 /nfs/dbraw/zinc/02/35/87/364023587.db2.gz SARBZICKIZNZRX-UJURSFKZSA-N 0 0 274.227 1.264 20 5 CDBDRN Nc1c(C(=O)N[C@@H]2C[C@@H]2C(F)F)cc(F)cc1[N+](=O)[O-] ZINC000345823467 364024193 /nfs/dbraw/zinc/02/41/93/364024193.db2.gz RGRBPZHIHYCVMB-CAHLUQPWSA-N 0 0 289.213 1.700 20 5 CDBDRN CC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000456217430 364029159 /nfs/dbraw/zinc/02/91/59/364029159.db2.gz LXMWWYWNOBUSFE-QWRGUYRKSA-N 0 0 295.339 1.672 20 5 CDBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(Cc2ccncc2)no1 ZINC000345849881 364043542 /nfs/dbraw/zinc/04/35/42/364043542.db2.gz HLJMSFCZRPINAN-UHFFFAOYSA-N 0 0 286.251 1.364 20 5 CDBDRN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059219 364049536 /nfs/dbraw/zinc/04/95/36/364049536.db2.gz LRVLXEYYBVFNGH-MRVPVSSYSA-N 0 0 283.715 1.682 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456257128 364060566 /nfs/dbraw/zinc/06/05/66/364060566.db2.gz ALVWVCZIXJJVCG-RISCZKNCSA-N 0 0 290.323 1.438 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411089618 239605632 /nfs/dbraw/zinc/60/56/32/239605632.db2.gz RIRNXVHFZUKDOP-VIFPVBQESA-N 0 0 280.328 1.889 20 5 CDBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCOCC1 ZINC000268084105 364243420 /nfs/dbraw/zinc/24/34/20/364243420.db2.gz 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359151012 /nfs/dbraw/zinc/15/10/12/359151012.db2.gz LHRFJSBLHUSUPN-UHFFFAOYSA-N 0 0 284.287 1.053 20 5 CDBDRN Cc1nc(C)n(C2CN(c3ccsc3[N+](=O)[O-])C2)n1 ZINC000601159751 359153618 /nfs/dbraw/zinc/15/36/18/359153618.db2.gz NKXZKJKNOCAVCG-UHFFFAOYSA-N 0 0 279.325 1.926 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](C1CC1)C(F)(F)F ZINC000288046010 359153819 /nfs/dbraw/zinc/15/38/19/359153819.db2.gz BGTDHUJMEPGGPF-VIFPVBQESA-N 0 0 292.217 1.248 20 5 CDBDRN CCCS(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000048959247 359231814 /nfs/dbraw/zinc/23/18/14/359231814.db2.gz FEXOQMLKGLOOEJ-UHFFFAOYSA-N 0 0 258.299 1.424 20 5 CDBDRN COCCCN(C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000274703376 192730740 /nfs/dbraw/zinc/73/07/40/192730740.db2.gz VIRFJMXCNCEVHD-UHFFFAOYSA-N 0 0 257.265 1.789 20 5 CDBDRN COc1ccc(OC(=O)[C@@H]2C[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000365270903 359219607 /nfs/dbraw/zinc/21/96/07/359219607.db2.gz WOGDJQDDCVPCCW-IINYFYTJSA-N 0 0 293.275 1.935 20 5 CDBDRN C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000570150729 359286868 /nfs/dbraw/zinc/28/68/68/359286868.db2.gz JKCAOAYPNDOXCU-RKDXNWHRSA-N 0 0 285.325 1.266 20 5 CDBDRN CCOC(=O)CN(C)c1ccc([N+](=O)[O-])cc1F ZINC000050086998 359292810 /nfs/dbraw/zinc/29/28/10/359292810.db2.gz QGHHGPUTJZYPAN-UHFFFAOYSA-N 0 0 256.233 1.733 20 5 CDBDRN CC(=O)NCCN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570047631 359273881 /nfs/dbraw/zinc/27/38/81/359273881.db2.gz ZEOIHLLSOXOGPM-SNVBAGLBSA-N 0 0 293.323 1.293 20 5 CDBDRN Cc1ccc(S(=O)(=O)NCC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000339033338 359279481 /nfs/dbraw/zinc/27/94/81/359279481.db2.gz BKQXQUWCOFUCGB-SECBINFHSA-N 0 0 290.316 1.930 20 5 CDBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)OC)n1 ZINC000224266002 359498304 /nfs/dbraw/zinc/49/83/04/359498304.db2.gz WLGKXZSUPWRZKG-SSDOTTSWSA-N 0 0 269.257 1.223 20 5 CDBDRN CC[C@@H](CO)N(C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000296837298 200010914 /nfs/dbraw/zinc/01/09/14/200010914.db2.gz 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C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000285767720 196391967 /nfs/dbraw/zinc/39/19/67/196391967.db2.gz RTCWOBYHWUGVDW-KOLCDFICSA-N 0 0 293.323 1.418 20 5 CDBDRN CCn1cnnc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285767082 196392350 /nfs/dbraw/zinc/39/23/50/196392350.db2.gz KYBWGCOIBJIZFD-UHFFFAOYSA-N 0 0 291.267 1.224 20 5 CDBDRN Cc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285780103 196396083 /nfs/dbraw/zinc/39/60/83/196396083.db2.gz UBIUBDCZENLHHW-UHFFFAOYSA-N 0 0 281.297 1.321 20 5 CDBDRN CCN(CCO)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000037854120 173805341 /nfs/dbraw/zinc/80/53/41/173805341.db2.gz KZSAOHQVNSHINC-UHFFFAOYSA-N 0 0 272.688 1.703 20 5 CDBDRN CC[N@H+](CCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000038024830 174008080 /nfs/dbraw/zinc/00/80/80/174008080.db2.gz OIIZUUZHPYPUAY-UHFFFAOYSA-N 0 0 252.270 1.891 20 5 CDBDRN O=[N+]([O-])c1cc(F)cc(NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000038084295 174094370 /nfs/dbraw/zinc/09/43/70/174094370.db2.gz XRUYHHLGTHZYNU-MRVPVSSYSA-N 0 0 288.300 1.581 20 5 CDBDRN NC(=O)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000038102674 174119227 /nfs/dbraw/zinc/11/92/27/174119227.db2.gz GBWKKOLPYYIWDN-LLVKDONJSA-N 0 0 295.270 1.214 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CCCCO2)c1 ZINC000041744329 174621162 /nfs/dbraw/zinc/62/11/62/174621162.db2.gz LBGFPHROGHBRIC-SNVBAGLBSA-N 0 0 296.279 1.112 20 5 CDBDRN Nc1c([N+](=O)[O-])cnn1Cc1cccc([N+](=O)[O-])c1 ZINC000043669729 175086856 /nfs/dbraw/zinc/08/68/56/175086856.db2.gz AGFHTLARZHYASY-UHFFFAOYSA-N 0 0 263.213 1.330 20 5 CDBDRN O=C(Nc1nc(C2CC2)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000044487551 175180617 /nfs/dbraw/zinc/18/06/17/175180617.db2.gz VOMZNOZRDNTUPM-HTRCEHHLSA-N 0 0 253.283 1.624 20 5 CDBDRN COC[C@H](O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000071271527 176104250 /nfs/dbraw/zinc/10/42/50/176104250.db2.gz AYVLPDAWVDRMAJ-LLVKDONJSA-N 0 0 277.280 1.562 20 5 CDBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)N1CCC(C)CC1 ZINC000071526526 176194155 /nfs/dbraw/zinc/19/41/55/176194155.db2.gz AIKRHRDXTKPOSD-UHFFFAOYSA-N 0 0 293.323 1.323 20 5 CDBDRN CN(CCN1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000072024494 176309802 /nfs/dbraw/zinc/30/98/02/176309802.db2.gz FNWYLWDJWYGUSJ-UHFFFAOYSA-N 0 0 279.340 1.359 20 5 CDBDRN O=C(NO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000072058624 176311268 /nfs/dbraw/zinc/31/12/68/176311268.db2.gz WGDCKGMSBSVDKU-NSHDSACASA-N 0 0 266.253 1.783 20 5 CDBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](C)O ZINC000077165153 177229405 /nfs/dbraw/zinc/22/94/05/177229405.db2.gz BITDIABJXFVLOR-SSDOTTSWSA-N 0 0 286.259 1.703 20 5 CDBDRN O=C(NC[C@@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000077179244 177230923 /nfs/dbraw/zinc/23/09/23/177230923.db2.gz VRZUQVKAOBQWNS-SNVBAGLBSA-N 0 0 282.296 1.859 20 5 CDBDRN CCOC(=O)c1ccnc(N[C@@H](CC)CO)c1[N+](=O)[O-] ZINC000077902351 177309570 /nfs/dbraw/zinc/30/95/70/177309570.db2.gz YHRAFLSSQSNMRO-QMMMGPOBSA-N 0 0 283.284 1.349 20 5 CDBDRN CCCNC(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000021614844 260121736 /nfs/dbraw/zinc/12/17/36/260121736.db2.gz IKDHRNMBLYADKH-UHFFFAOYSA-N 0 0 252.270 1.808 20 5 CDBDRN CN(Cc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000027214397 260132555 /nfs/dbraw/zinc/13/25/55/260132555.db2.gz RCTRHGPIGJNSCW-UHFFFAOYSA-N 0 0 260.297 1.960 20 5 CDBDRN C[C@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CO1 ZINC000402039870 260236693 /nfs/dbraw/zinc/23/66/93/260236693.db2.gz LEKCICPHUCFHGP-YUMQZZPRSA-N 0 0 290.279 1.833 20 5 CDBDRN CC[C@@H](O)[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000313087920 260245919 /nfs/dbraw/zinc/24/59/19/260245919.db2.gz QDXJOJMFYCNBQV-JGVFFNPUSA-N 0 0 272.326 1.936 20 5 CDBDRN CCCCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185614301 262306361 /nfs/dbraw/zinc/30/63/61/262306361.db2.gz ARLCBGPCIOXNDN-UHFFFAOYSA-N 0 0 296.323 1.925 20 5 CDBDRN C[C@@H](N(C)c1ncc([N+](=O)[O-])c(N)n1)C(C)(C)C ZINC000518988548 265281945 /nfs/dbraw/zinc/28/19/45/265281945.db2.gz JKUVJVRQNFTJKU-SSDOTTSWSA-N 0 0 253.306 1.668 20 5 CDBDRN CN(C[C@@H]1CCOC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000177343871 270246828 /nfs/dbraw/zinc/24/68/28/270246828.db2.gz YZWIXLKLGVZTFY-JTQLQIEISA-N 0 0 264.281 1.703 20 5 CDBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnns1 ZINC000191288728 270289336 /nfs/dbraw/zinc/28/93/36/270289336.db2.gz RTSNQCHBZVXQME-UHFFFAOYSA-N 0 0 280.265 1.464 20 5 CDBDRN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000192779167 270299979 /nfs/dbraw/zinc/29/99/79/270299979.db2.gz MTOBXFLUFXENJK-UHFFFAOYSA-N 0 0 261.241 1.133 20 5 CDBDRN O=C(NC[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000315814092 270328252 /nfs/dbraw/zinc/32/82/52/270328252.db2.gz KFXKZRQDRUEUTE-GFCCVEGCSA-N 0 0 264.281 1.486 20 5 CDBDRN C[C@H](CNc1ncc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000397029161 270345999 /nfs/dbraw/zinc/34/59/99/270345999.db2.gz WVHYLRACYYQAQM-LURJTMIESA-N 0 0 264.207 1.807 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)C[C@@H](CO)C1 ZINC000398614862 270356157 /nfs/dbraw/zinc/35/61/57/270356157.db2.gz HNHGMUOIQTYBST-ZYHUDNBSSA-N 0 0 292.335 1.994 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1cccs1 ZINC000514851556 270413247 /nfs/dbraw/zinc/41/32/47/270413247.db2.gz QAFHZXLKECKFNM-UHFFFAOYSA-N 0 0 279.321 1.967 20 5 CDBDRN CCOCCN1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115517072 273700457 /nfs/dbraw/zinc/70/04/57/273700457.db2.gz NHAVOELVONGWCO-UHFFFAOYSA-N 0 0 294.355 1.457 20 5 CDBDRN CCCNC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292262905 276015518 /nfs/dbraw/zinc/01/55/18/276015518.db2.gz YVEJSGRJYGISFV-UHFFFAOYSA-N 0 0 279.340 1.946 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000270961637 276040611 /nfs/dbraw/zinc/04/06/11/276040611.db2.gz NWDVIDIRUSKMPK-CYBMUJFWSA-N 0 0 296.327 1.428 20 5 CDBDRN CN(C)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000295018067 276745844 /nfs/dbraw/zinc/74/58/44/276745844.db2.gz UEMFICXEZZGCDT-JTQLQIEISA-N 0 0 280.284 1.267 20 5 CDBDRN CNC(=O)C1CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276714194 276997105 /nfs/dbraw/zinc/99/71/05/276997105.db2.gz YRWHONNJXOWLFG-UHFFFAOYSA-N 0 0 286.291 1.325 20 5 CDBDRN CNC(=O)N[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000341539531 277005814 /nfs/dbraw/zinc/00/58/14/277005814.db2.gz BJEPTFMVGDIGCQ-SNVBAGLBSA-N 0 0 293.327 1.114 20 5 CDBDRN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000270875108 277098321 /nfs/dbraw/zinc/09/83/21/277098321.db2.gz CYPSOJXVTAJAIV-UHFFFAOYSA-N 0 0 295.314 1.900 20 5 CDBDRN CC(=O)c1ccc(N2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000224454655 277111719 /nfs/dbraw/zinc/11/17/19/277111719.db2.gz LHKMXQHPHFLKFB-ZDUSSCGKSA-N 0 0 264.281 1.759 20 5 CDBDRN CN1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1=O ZINC000264987889 277205818 /nfs/dbraw/zinc/20/58/18/277205818.db2.gz ILBILOUHGDNIDG-SECBINFHSA-N 0 0 288.263 1.591 20 5 CDBDRN CC(C)(CCC(=O)Nc1nc2c(s1)COCC2)[N+](=O)[O-] ZINC000294549173 277295738 /nfs/dbraw/zinc/29/57/38/277295738.db2.gz JZQIQBRULWTIJT-UHFFFAOYSA-N 0 0 299.352 1.990 20 5 CDBDRN CNc1nc(C(=O)N2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455849069 277303670 /nfs/dbraw/zinc/30/36/70/277303670.db2.gz DAVVCIOITAICFK-IUCAKERBSA-N 0 0 278.312 1.902 20 5 CDBDRN CO[C@H]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000076291016 277337157 /nfs/dbraw/zinc/33/71/57/277337157.db2.gz OPTVQTPYOLLASA-VIFPVBQESA-N 0 0 254.290 1.252 20 5 CDBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)CO1 ZINC000408039580 288036182 /nfs/dbraw/zinc/03/61/82/288036182.db2.gz WKMBZTJNBGOSPZ-DTWKUNHWSA-N 0 0 267.285 1.183 20 5 CDBDRN CC1(C)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299177218 278374216 /nfs/dbraw/zinc/37/42/16/278374216.db2.gz XNHDKLLVPDDIAV-LBPRGKRZSA-N 0 0 292.291 1.894 20 5 CDBDRN C[C@H]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302570140 278384312 /nfs/dbraw/zinc/38/43/12/278384312.db2.gz YQVPAAGQLGSKQC-IUCAKERBSA-N 0 0 299.352 1.843 20 5 CDBDRN CC(C)CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000049443507 278834461 /nfs/dbraw/zinc/83/44/61/278834461.db2.gz LCROGIAOUCGQAX-UHFFFAOYSA-N 0 0 272.326 1.871 20 5 CDBDRN Cc1nc(N2CCOC[C@@H](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295740915 279091895 /nfs/dbraw/zinc/09/18/95/279091895.db2.gz XZFGYUXMLZJLJY-LBPRGKRZSA-N 0 0 292.339 1.946 20 5 CDBDRN Cc1nc(N2C[C@@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC000296638433 279093993 /nfs/dbraw/zinc/09/39/93/279093993.db2.gz WIFNQGNMNMJOEK-HTQZYQBOSA-N 0 0 252.274 1.307 20 5 CDBDRN Cc1nc(NC(=O)[C@@H]2C[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000375177607 279099183 /nfs/dbraw/zinc/09/91/83/279099183.db2.gz RVCSSBOQPVHXBE-ZANVPECISA-N 0 0 277.280 1.663 20 5 CDBDRN C[C@@H](Sc1nc[nH]n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005737120 279135193 /nfs/dbraw/zinc/13/51/93/279135193.db2.gz MURZYMFNHVPWSP-SSDOTTSWSA-N 0 0 293.308 1.832 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1nccs1 ZINC000049419209 279174943 /nfs/dbraw/zinc/17/49/43/279174943.db2.gz NQHZKDHQHIKTDW-UHFFFAOYSA-N 0 0 281.297 1.219 20 5 CDBDRN COCCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066379185 279200618 /nfs/dbraw/zinc/20/06/18/279200618.db2.gz BZQICBJPLKCRHZ-UHFFFAOYSA-N 0 0 295.339 1.526 20 5 CDBDRN CCn1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000073774634 279214712 /nfs/dbraw/zinc/21/47/12/279214712.db2.gz OURCUFHYNBIBKW-UHFFFAOYSA-N 0 0 290.279 1.829 20 5 CDBDRN CC[C@H](O)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000489922721 288114098 /nfs/dbraw/zinc/11/40/98/288114098.db2.gz XXLQMCSAHRSDOY-ZJUUUORDSA-N 0 0 281.312 1.726 20 5 CDBDRN CCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1Cl ZINC000189859450 279255587 /nfs/dbraw/zinc/25/55/87/279255587.db2.gz TZJVBWNYZFUFGR-NSHDSACASA-N 0 0 269.688 1.699 20 5 CDBDRN Cc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)on1 ZINC000089835934 279267612 /nfs/dbraw/zinc/26/76/12/279267612.db2.gz BNWPGIHXHYQUSE-UHFFFAOYSA-N 0 0 275.264 1.864 20 5 CDBDRN COC(=O)NCCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000107438623 279301054 /nfs/dbraw/zinc/30/10/54/279301054.db2.gz NVWRDBBJMHGTID-UHFFFAOYSA-N 0 0 293.279 1.230 20 5 CDBDRN Cc1cc(C(=O)NC(C)(C)C(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000108188757 279302788 /nfs/dbraw/zinc/30/27/88/279302788.db2.gz BYAHNOKMHALQBH-UHFFFAOYSA-N 0 0 293.323 1.500 20 5 CDBDRN CCCNC(=O)CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000110667462 279318312 /nfs/dbraw/zinc/31/83/12/279318312.db2.gz AHYSUUUCYGGTIV-UHFFFAOYSA-N 0 0 293.323 1.517 20 5 CDBDRN C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000121292926 279399525 /nfs/dbraw/zinc/39/95/25/279399525.db2.gz FMVOIEAEALDXDA-GFCCVEGCSA-N 0 0 293.323 1.370 20 5 CDBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000182797096 279776960 /nfs/dbraw/zinc/77/69/60/279776960.db2.gz HGHSBBPPEWAHHW-UHFFFAOYSA-N 0 0 289.335 1.970 20 5 CDBDRN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000134506931 279781174 /nfs/dbraw/zinc/78/11/74/279781174.db2.gz LRTVOACDSVOJHO-UHFFFAOYSA-N 0 0 275.268 1.239 20 5 CDBDRN C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1O ZINC000450418615 279891503 /nfs/dbraw/zinc/89/15/03/279891503.db2.gz MAAJDZIZIXVCDQ-ZANVPECISA-N 0 0 273.292 1.960 20 5 CDBDRN O=C(N[C@H]1CCCCC[C@H]1O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000360545489 279951123 /nfs/dbraw/zinc/95/11/23/279951123.db2.gz HIIPYGRQFWKBAP-GXSJLCMTSA-N 0 0 295.295 1.119 20 5 CDBDRN COc1ncccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193384043 279992199 /nfs/dbraw/zinc/99/21/99/279992199.db2.gz JIOYGUNFXWBCTF-UHFFFAOYSA-N 0 0 287.275 1.928 20 5 CDBDRN CCC(C)(C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194013897 280020982 /nfs/dbraw/zinc/02/09/82/280020982.db2.gz ITARBDFYUCWEDF-UHFFFAOYSA-N 0 0 293.323 1.629 20 5 CDBDRN CC[C@@H](CO)N(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000295824837 280146980 /nfs/dbraw/zinc/14/69/80/280146980.db2.gz PTZLQEZQTWPGGR-QMMMGPOBSA-N 0 0 284.316 1.284 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](O)C1 ZINC000022737459 280190594 /nfs/dbraw/zinc/19/05/94/280190594.db2.gz PCCNGMZXUZBBRZ-LLVKDONJSA-N 0 0 250.254 1.192 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245694242 280228143 /nfs/dbraw/zinc/22/81/43/280228143.db2.gz QQFGKDIASPLTFJ-DOFRTFSJSA-N 0 0 296.327 1.172 20 5 CDBDRN CC[C@@]1(O)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000436344409 280659393 /nfs/dbraw/zinc/65/93/93/280659393.db2.gz OTMGJWZTHDFQFB-CQSZACIVSA-N 0 0 277.324 1.914 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CCOC2)C1 ZINC000301618984 280665247 /nfs/dbraw/zinc/66/52/47/280665247.db2.gz WUVORXAYZIWMOK-ZDUSSCGKSA-N 0 0 263.297 1.915 20 5 CDBDRN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1O ZINC000436419469 288256199 /nfs/dbraw/zinc/25/61/99/288256199.db2.gz XVPSVBKXFPMATK-PELKAZGASA-N 0 0 263.297 1.380 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1cccnc1 ZINC000515359098 280894354 /nfs/dbraw/zinc/89/43/54/280894354.db2.gz BCOSXZREZBLYHE-UHFFFAOYSA-N 0 0 274.280 1.301 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(N2CC(NC(=O)C3CC3)C2)c1 ZINC000274993322 281009665 /nfs/dbraw/zinc/00/96/65/281009665.db2.gz DZEPDRQPZBDNNH-UHFFFAOYSA-N 0 0 275.308 1.618 20 5 CDBDRN C[C@@H]1CN(CCNc2ncccc2[N+](=O)[O-])CCO1 ZINC000522275577 281096028 /nfs/dbraw/zinc/09/60/28/281096028.db2.gz PPLFSFDLBGBHAC-SNVBAGLBSA-N 0 0 266.301 1.122 20 5 CDBDRN CC[C@H]1CN(c2cccc(OC)c2[N+](=O)[O-])C[C@H]1O ZINC000274682162 281178180 /nfs/dbraw/zinc/17/81/80/281178180.db2.gz IQLUFPMTSVALQD-GXSJLCMTSA-N 0 0 266.297 1.811 20 5 CDBDRN CC[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330826886 281204408 /nfs/dbraw/zinc/20/44/08/281204408.db2.gz WJPUSRXWNNHWFS-QMMMGPOBSA-N 0 0 253.258 1.174 20 5 CDBDRN CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408117215 281217599 /nfs/dbraw/zinc/21/75/99/281217599.db2.gz ZAGVBXYFOPQNKQ-ZJUUUORDSA-N 0 0 281.312 1.573 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)Cn1ccnc1 ZINC000288116385 281597991 /nfs/dbraw/zinc/59/79/91/281597991.db2.gz LDPJNRGUOPNDRU-VIFPVBQESA-N 0 0 278.316 1.817 20 5 CDBDRN Cc1ccccc1[C@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000530857373 281614822 /nfs/dbraw/zinc/61/48/22/281614822.db2.gz VQEYKFNJUZNFBV-JTQLQIEISA-N 0 0 289.295 1.251 20 5 CDBDRN Cc1[nH][nH]c(=O)c1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000532501919 281992106 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HTXIRKHQNHCXAN-UHFFFAOYSA-N 0 0 293.327 1.919 20 5 CDBDRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704924 830285358 /nfs/dbraw/zinc/28/53/58/830285358.db2.gz CPRSPUHQGAAZHE-DHGKCCLASA-N 0 0 272.304 1.354 20 5 CDBDRN COC(OC)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000820632997 830299898 /nfs/dbraw/zinc/29/98/98/830299898.db2.gz IMPDMNORDXPGMG-SECBINFHSA-N 0 0 282.296 1.699 20 5 CDBDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840394174 830300666 /nfs/dbraw/zinc/30/06/66/830300666.db2.gz DZPYOPWPRZOASU-XXILOJSOSA-N 0 0 264.281 1.577 20 5 CDBDRN COC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839697420 830309691 /nfs/dbraw/zinc/30/96/91/830309691.db2.gz YSKGOBLUIXFLPJ-YNEHKIRRSA-N 0 0 278.308 1.026 20 5 CDBDRN CC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000848112888 830311364 /nfs/dbraw/zinc/31/13/64/830311364.db2.gz XSJLRNGLSQUEHV-VXGBXAGGSA-N 0 0 262.265 1.171 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCC3(CC2)COCCO3)cc1 ZINC000882997216 830321361 /nfs/dbraw/zinc/32/13/61/830321361.db2.gz BUFMWTZKQZQQAB-UHFFFAOYSA-N 0 0 278.308 1.981 20 5 CDBDRN O=C(NC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cn1 ZINC000882546729 830328884 /nfs/dbraw/zinc/32/88/84/830328884.db2.gz HSQPEKZIOBOHRL-NSHDSACASA-N 0 0 291.307 1.821 20 5 CDBDRN Nc1nnc(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776272744 830360070 /nfs/dbraw/zinc/36/00/70/830360070.db2.gz VULJUOAZFBNXCN-MRVPVSSYSA-N 0 0 298.349 1.854 20 5 CDBDRN COCC1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000880596240 830383171 /nfs/dbraw/zinc/38/31/71/830383171.db2.gz GMIXAYQRQGPPCL-UHFFFAOYSA-N 0 0 284.699 1.967 20 5 CDBDRN C[C@H](Oc1ccccn1)C(=O)OCCC[N+](=O)[O-] ZINC000860918709 830385889 /nfs/dbraw/zinc/38/58/89/830385889.db2.gz DJIDJPXCTQFTIG-VIFPVBQESA-N 0 0 254.242 1.059 20 5 CDBDRN CC(C)(Cn1cc(C[C@H](O)c2ccccc2)nn1)[N+](=O)[O-] ZINC000864642367 830447099 /nfs/dbraw/zinc/44/70/99/830447099.db2.gz MKNPTNLDHHBJFU-ZDUSSCGKSA-N 0 0 290.323 1.610 20 5 CDBDRN O=C(COc1ccccc1[N+](=O)[O-])N=S1(=O)CCCC1 ZINC000925942170 830472334 /nfs/dbraw/zinc/47/23/34/830472334.db2.gz KOIOISPTXXRDTA-UHFFFAOYSA-N 0 0 298.320 1.762 20 5 CDBDRN NC(=O)[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036964893 830483720 /nfs/dbraw/zinc/48/37/20/830483720.db2.gz IDNGHOLGWQPFKH-NSHDSACASA-N 0 0 283.715 1.698 20 5 CDBDRN CS/C=C\C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000808795629 830489365 /nfs/dbraw/zinc/48/93/65/830489365.db2.gz YDEHOMBYVMCYKI-WAYWQWQTSA-N 0 0 253.283 1.829 20 5 CDBDRN CC(C)ONC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000836261311 830490018 /nfs/dbraw/zinc/49/00/18/830490018.db2.gz ZDVDKLXCONPTHQ-UHFFFAOYSA-N 0 0 253.258 1.734 20 5 CDBDRN CC(=O)Nc1cccc(C(=O)OCCC[N+](=O)[O-])c1C ZINC000860921861 830504261 /nfs/dbraw/zinc/50/42/61/830504261.db2.gz YQEPKMPXBOCBGU-UHFFFAOYSA-N 0 0 280.280 1.777 20 5 CDBDRN CC(=O)NCC1=CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001069809783 830538719 /nfs/dbraw/zinc/53/87/19/830538719.db2.gz RNJIJZYQLCPBBN-UHFFFAOYSA-N 0 0 276.296 1.262 20 5 CDBDRN C[C@@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870877783 830552498 /nfs/dbraw/zinc/55/24/98/830552498.db2.gz NSURRYNIGLLPKC-QMTHXVAHSA-N 0 0 277.324 1.637 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccoc1)C1CC1 ZINC000889097627 830571051 /nfs/dbraw/zinc/57/10/51/830571051.db2.gz QZCOHDTVBGBMDN-UHFFFAOYSA-N 0 0 290.279 1.576 20 5 CDBDRN CC(C)(CCC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)[N+](=O)[O-] ZINC000826941324 830575403 /nfs/dbraw/zinc/57/54/03/830575403.db2.gz CNBYKVCHELZALG-IJLUTSLNSA-N 0 0 284.356 1.896 20 5 CDBDRN CCCc1[nH]nc(C(=O)OC[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000796261597 830576178 /nfs/dbraw/zinc/57/61/78/830576178.db2.gz WCZYIWHEYBPHNR-SECBINFHSA-N 0 0 297.311 1.854 20 5 CDBDRN CC(C)[C@@H](O)COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000849681653 830594885 /nfs/dbraw/zinc/59/48/85/830594885.db2.gz WSXRIXTUQBCVCD-LBPRGKRZSA-N 0 0 283.280 1.534 20 5 CDBDRN Cc1cc(C)n(CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000819893575 830604565 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CC(C)[C@@H](O)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866651718 833685557 /nfs/dbraw/zinc/68/55/57/833685557.db2.gz YHCMRQSFKSBIBK-NSHDSACASA-N 0 0 284.287 1.410 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1CCOC1 ZINC000124978584 833691117 /nfs/dbraw/zinc/69/11/17/833691117.db2.gz CYAQHIFXACVLJC-JTQLQIEISA-N 0 0 283.284 1.070 20 5 CDBDRN COC(=O)c1nn(CC=C(Cl)Cl)cc1[N+](=O)[O-] ZINC000871682754 833794169 /nfs/dbraw/zinc/79/41/69/833794169.db2.gz BJYGXZRJDBWYAZ-UHFFFAOYSA-N 0 0 280.067 1.897 20 5 CDBDRN COC(=O)[C@H]1[C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])C[C@@H]21 ZINC000813620390 832094888 /nfs/dbraw/zinc/09/48/88/832094888.db2.gz NEOJBSHSXSLJQO-GDGBQDQQSA-N 0 0 277.280 1.032 20 5 CDBDRN CC[C@@H]1COCCN1CCNc1ncc([N+](=O)[O-])s1 ZINC000872773727 832163581 /nfs/dbraw/zinc/16/35/81/832163581.db2.gz TYSZVJWQNWXFJK-SECBINFHSA-N 0 0 286.357 1.574 20 5 CDBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000863416920 832165136 /nfs/dbraw/zinc/16/51/36/832165136.db2.gz 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278.243 1.649 20 5 CDBDRN CC[C@@H](C)NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000144632355 356017143 /nfs/dbraw/zinc/01/71/43/356017143.db2.gz GPUXFZYGZXBAET-GMSGAONNSA-N 0 0 268.317 1.884 20 5 CDBDRN C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000299323736 356090595 /nfs/dbraw/zinc/09/05/95/356090595.db2.gz FMROKRDIFJKSKD-SNVBAGLBSA-N 0 0 266.301 1.440 20 5 CDBDRN C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286173112 356226862 /nfs/dbraw/zinc/22/68/62/356226862.db2.gz QZWHWBKIHFBEBO-WCBMZHEXSA-N 0 0 279.296 1.171 20 5 CDBDRN CCC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000286208308 356231862 /nfs/dbraw/zinc/23/18/62/356231862.db2.gz BCROFYXEOOMPPZ-JTQLQIEISA-N 0 0 251.286 1.969 20 5 CDBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1CO ZINC000493462435 356271134 /nfs/dbraw/zinc/27/11/34/356271134.db2.gz YQGBDQSKYPTZEW-TUISVCKWSA-N 0 0 262.265 1.105 20 5 CDBDRN Cc1cc(C(=O)N2C[C@H](C)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000401489501 356245415 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Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1ccccn1 ZINC000134560100 356342407 /nfs/dbraw/zinc/34/24/07/356342407.db2.gz BEWGNBJNHLPUMB-UHFFFAOYSA-N 0 0 275.268 1.158 20 5 CDBDRN COc1cc(C(=O)N2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000336845746 356381072 /nfs/dbraw/zinc/38/10/72/356381072.db2.gz DLLDKOBFEBJJEG-LLVKDONJSA-N 0 0 294.307 1.590 20 5 CDBDRN C[C@@H]1C[C@H](O)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000401693428 356431184 /nfs/dbraw/zinc/43/11/84/356431184.db2.gz HWECDBUJQFGRCP-APPZFPTMSA-N 0 0 271.704 1.850 20 5 CDBDRN COc1cc(C(=O)N2C[C@H](O)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000359924748 356442180 /nfs/dbraw/zinc/44/21/80/356442180.db2.gz IZWPOGCRDKABRW-UFBFGSQYSA-N 0 0 294.307 1.365 20 5 CDBDRN CC(=O)NCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000036746426 356543908 /nfs/dbraw/zinc/54/39/08/356543908.db2.gz CHDSONKCNAGGQG-UHFFFAOYSA-N 0 0 274.280 1.691 20 5 CDBDRN CCC(=O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274365773 192555704 /nfs/dbraw/zinc/55/57/04/192555704.db2.gz CBKRAVBJPXRLGS-UHFFFAOYSA-N 0 0 278.308 1.968 20 5 CDBDRN CCC1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCC1 ZINC000175674051 356678984 /nfs/dbraw/zinc/67/89/84/356678984.db2.gz ARJRQSHUGSICEX-UHFFFAOYSA-N 0 0 266.301 1.488 20 5 CDBDRN CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)(C)O ZINC000293861423 198800610 /nfs/dbraw/zinc/80/06/10/198800610.db2.gz BETUNQCPYKZPCF-SNVBAGLBSA-N 0 0 298.343 1.156 20 5 CDBDRN CSc1cccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000360233333 356915032 /nfs/dbraw/zinc/91/50/32/356915032.db2.gz HCDAPCADDNNGLK-UHFFFAOYSA-N 0 0 293.308 1.996 20 5 CDBDRN CC[C@H](COC)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000132441371 357006694 /nfs/dbraw/zinc/00/66/94/357006694.db2.gz PMCAICGNBNOALP-SECBINFHSA-N 0 0 281.312 1.640 20 5 CDBDRN CCCS(=O)(=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046138909 357138334 /nfs/dbraw/zinc/13/83/34/357138334.db2.gz IXPUVVVQKQIHFN-UHFFFAOYSA-N 0 0 286.309 1.358 20 5 CDBDRN COCCOC[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341234055 357206378 /nfs/dbraw/zinc/20/63/78/357206378.db2.gz JCWDAWDWNHMGFP-JTQLQIEISA-N 0 0 297.311 1.768 20 5 CDBDRN CC(C)(C)NC(=O)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341340213 357231029 /nfs/dbraw/zinc/23/10/29/357231029.db2.gz IXTHSADTUUCHTB-UHFFFAOYSA-N 0 0 294.311 1.020 20 5 CDBDRN CC(C)(C)C[C@H](O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290621309 357234926 /nfs/dbraw/zinc/23/49/26/357234926.db2.gz LKFHAIMJHLJYKO-QMMMGPOBSA-N 0 0 296.327 1.298 20 5 CDBDRN O=C(Nc1cccc(O)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188037476 357238494 /nfs/dbraw/zinc/23/84/94/357238494.db2.gz OMPAAMNWTOTHMI-UHFFFAOYSA-N 0 0 275.220 1.653 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCCO[C@H]1CCCCO1 ZINC000341390277 357250620 /nfs/dbraw/zinc/25/06/20/357250620.db2.gz LIEPGXCRHDYDPL-ZDUSSCGKSA-N 0 0 296.323 1.998 20 5 CDBDRN CCN(C[C@@H](C)O)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000341398038 357259368 /nfs/dbraw/zinc/25/93/68/357259368.db2.gz KBRCPZAIEBMZKN-MRVPVSSYSA-N 0 0 267.285 1.141 20 5 CDBDRN 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FCHBTPOYZNIMQM-UHFFFAOYSA-N 0 0 294.307 1.708 20 5 CDBDRN CC1(C)OC[C@@H](Cn2cc([N+](=O)[O-])cc(Cl)c2=O)O1 ZINC000785038496 620912126 /nfs/dbraw/zinc/91/21/26/620912126.db2.gz SVYGRBYITCBTIO-MRVPVSSYSA-N 0 0 288.687 1.561 20 5 CDBDRN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H](O)[C@H](F)C1 ZINC000890700550 617286609 /nfs/dbraw/zinc/28/66/09/617286609.db2.gz IFGKLAJFTWNXQX-SFYZADRCSA-N 0 0 274.273 1.201 20 5 CDBDRN COC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCCC1 ZINC000890837878 617341272 /nfs/dbraw/zinc/34/12/72/617341272.db2.gz QWJVXTNJVFJZJB-GHMZBOCLSA-N 0 0 270.329 1.507 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H](C)OC ZINC000804840102 617346007 /nfs/dbraw/zinc/34/60/07/617346007.db2.gz GAPIUJPXOBPFKY-SECBINFHSA-N 0 0 281.312 1.426 20 5 CDBDRN C[C@H](COC(=O)c1ccc2c(c1)NC(=O)CS2)[N+](=O)[O-] ZINC000813113346 617347313 /nfs/dbraw/zinc/34/73/13/617347313.db2.gz ZDCZHCVYBUYVCT-SSDOTTSWSA-N 0 0 296.304 1.553 20 5 CDBDRN CCN(CCn1ccc([N+](=O)[O-])n1)C(C)(C)C(=O)OC ZINC000933187513 617372306 /nfs/dbraw/zinc/37/23/06/617372306.db2.gz KGXNPSVRIQEDJR-UHFFFAOYSA-N 0 0 284.316 1.065 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891078686 617360311 /nfs/dbraw/zinc/36/03/11/617360311.db2.gz IHMJWEAXUFINPT-ZIAGYGMSSA-N 0 0 290.319 1.679 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCO1 ZINC000891397078 617383136 /nfs/dbraw/zinc/38/31/36/617383136.db2.gz KEEJLKDFHXSYNL-VIFPVBQESA-N 0 0 253.258 1.589 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CCC([C@H]2CCOC2)CC1 ZINC000893132373 617401261 /nfs/dbraw/zinc/40/12/61/617401261.db2.gz OFCAIRKNXLMFEE-NSHDSACASA-N 0 0 280.328 1.581 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCCOc1ccccc1 ZINC000891487298 617439154 /nfs/dbraw/zinc/43/91/54/617439154.db2.gz JQUHIMDODPJDCY-UHFFFAOYSA-N 0 0 262.269 1.819 20 5 CDBDRN CC[C@@H](C)[C@@H](OC)C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC000891345139 617441713 /nfs/dbraw/zinc/44/17/13/617441713.db2.gz IVKASZQUNKAOKE-HTQZYQBOSA-N 0 0 270.289 1.328 20 5 CDBDRN C[C@@H]1C[C@@H](C(=O)Nc2c([N+](=O)[O-])ncn2C)[C@H](C)O1 ZINC000891345012 617441738 /nfs/dbraw/zinc/44/17/38/617441738.db2.gz QUOFDHBDWCGWQU-GJMOJQLCSA-N 0 0 268.273 1.080 20 5 CDBDRN CCO[C@@H](C(=O)Nc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000891345617 617442502 /nfs/dbraw/zinc/44/25/02/617442502.db2.gz XCQQKOWNVSPZJP-MRVPVSSYSA-N 0 0 268.273 1.082 20 5 CDBDRN CN(CC(=O)OCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000851126206 617575149 /nfs/dbraw/zinc/57/51/49/617575149.db2.gz BHAVILPGMVCRRO-UHFFFAOYSA-N 0 0 266.297 1.721 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1NCCCOC1CCOCC1 ZINC000892670308 617576720 /nfs/dbraw/zinc/57/67/20/617576720.db2.gz QTDMWYUMPRKUEL-UHFFFAOYSA-N 0 0 284.316 1.326 20 5 CDBDRN O=C1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCN1 ZINC000783548131 617601248 /nfs/dbraw/zinc/60/12/48/617601248.db2.gz AENVQLWUVLJQSK-UHFFFAOYSA-N 0 0 283.715 1.570 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1c2ccccc2C[C@H]1O ZINC000891829151 617627423 /nfs/dbraw/zinc/62/74/23/617627423.db2.gz GMMBWCBQODVTLZ-NEPJUHHUSA-N 0 0 274.280 1.399 20 5 CDBDRN CCCCC1(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000889530768 617634603 /nfs/dbraw/zinc/63/46/03/617634603.db2.gz BQKBWJPZVURXOR-UHFFFAOYSA-N 0 0 280.328 1.939 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC12CC(O)C2 ZINC000888944790 617809229 /nfs/dbraw/zinc/80/92/29/617809229.db2.gz LPHCVGLODLSHKQ-JYHUIVOISA-N 0 0 290.319 1.855 20 5 CDBDRN Cc1noc(C)c1CCCNc1c([N+](=O)[O-])cnn1C ZINC000892876358 617853192 /nfs/dbraw/zinc/85/31/92/617853192.db2.gz QFKOCMVBXKBULG-UHFFFAOYSA-N 0 0 279.300 1.978 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000889577909 620764156 /nfs/dbraw/zinc/76/41/56/620764156.db2.gz FJJBFYWZKXPXLX-OUAUKWLOSA-N 0 0 278.312 1.405 20 5 CDBDRN C[C@@H](COC(=O)[C@H]1CCN(C)c2ccccc21)[N+](=O)[O-] ZINC000893045456 618094104 /nfs/dbraw/zinc/09/41/04/618094104.db2.gz XSVVIRHBINXVIS-JQWIXIFHSA-N 0 0 278.308 1.819 20 5 CDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cnc(CC2CC2)s1 ZINC000893080221 618138409 /nfs/dbraw/zinc/13/84/09/618138409.db2.gz WDQPWXSBZQHQCO-ZETCQYMHSA-N 0 0 270.310 1.918 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](O)CC1 ZINC000894000073 618241977 /nfs/dbraw/zinc/24/19/77/618241977.db2.gz HZMGPHBWRUQSPE-SNVBAGLBSA-N 0 0 267.285 1.350 20 5 CDBDRN C[C@@H](Cc1cnn(C)c1)Nc1c([N+](=O)[O-])cnn1C ZINC000894099510 618402821 /nfs/dbraw/zinc/40/28/21/618402821.db2.gz SHBSDGVGNZUOSQ-QMMMGPOBSA-N 0 0 264.289 1.105 20 5 CDBDRN CC(C)n1ccnc1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840670980 618426634 /nfs/dbraw/zinc/42/66/34/618426634.db2.gz OHXDXJWYBAXRQU-RKDXNWHRSA-N 0 0 253.258 1.172 20 5 CDBDRN Cc1cnc(CCNc2c([N+](=O)[O-])cnn2C)cn1 ZINC000894140643 618618405 /nfs/dbraw/zinc/61/84/05/618618405.db2.gz DBOIUDRPNKLOHF-UHFFFAOYSA-N 0 0 262.273 1.081 20 5 CDBDRN Cc1nc2c(cccc2C(=O)O[C@@H](C)C[N+](=O)[O-])o1 ZINC000814037350 618685087 /nfs/dbraw/zinc/68/50/87/618685087.db2.gz WJRNLLILUGYNIB-ZETCQYMHSA-N 0 0 264.237 1.958 20 5 CDBDRN CC(C)(C)c1cc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC000840674877 618819918 /nfs/dbraw/zinc/81/99/18/618819918.db2.gz QRDNDLFIYVRAHB-RKDXNWHRSA-N 0 0 268.269 1.681 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N[C@H]1CO[C@@H](C)C1 ZINC000894361734 618820733 /nfs/dbraw/zinc/82/07/33/618820733.db2.gz OXPJGLVXKDXTLL-JGVFFNPUSA-N 0 0 253.258 1.588 20 5 CDBDRN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H](CO)CCF ZINC000894404382 618863883 /nfs/dbraw/zinc/86/38/83/618863883.db2.gz UPZVAGLRRNVECG-SECBINFHSA-N 0 0 297.261 1.836 20 5 CDBDRN O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841207795 618924967 /nfs/dbraw/zinc/92/49/67/618924967.db2.gz JKHNGMMNPGGTPU-KDXUFGMBSA-N 0 0 297.229 1.552 20 5 CDBDRN CSC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC000894563048 618963322 /nfs/dbraw/zinc/96/33/22/618963322.db2.gz JSALDFKHFKIZNR-NXEZZACHSA-N 0 0 272.370 1.834 20 5 CDBDRN Cn1ncc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000792538055 619090472 /nfs/dbraw/zinc/09/04/72/619090472.db2.gz VFKSAWQCYUOTPE-UHFFFAOYSA-N 0 0 296.670 1.734 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C ZINC000928553333 619357080 /nfs/dbraw/zinc/35/70/80/619357080.db2.gz NFMPZCLSGSVPNH-LLVKDONJSA-N 0 0 277.324 1.646 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CCc2ncncc2C1 ZINC000895176365 619423419 /nfs/dbraw/zinc/42/34/19/619423419.db2.gz QUYLLQVZKWAKOP-UHFFFAOYSA-N 0 0 287.279 1.351 20 5 CDBDRN CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000895953874 619920467 /nfs/dbraw/zinc/92/04/67/619920467.db2.gz RSLRNHJMZYZSQJ-JTQLQIEISA-N 0 0 281.287 1.791 20 5 CDBDRN O=[N+]([O-])c1cnc(NCCc2nc3c(s2)CCC3)nc1 ZINC000896070244 619971351 /nfs/dbraw/zinc/97/13/51/619971351.db2.gz RQRIKFYDXJILJH-UHFFFAOYSA-N 0 0 291.336 1.985 20 5 CDBDRN O=[N+]([O-])c1ccccc1N1CCC[C@@H]1C1OCCO1 ZINC000897010834 620350358 /nfs/dbraw/zinc/35/03/58/620350358.db2.gz PWWHMYNSKPWFME-GFCCVEGCSA-N 0 0 264.281 1.937 20 5 CDBDRN COc1c(C(=O)O[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000796764519 620381138 /nfs/dbraw/zinc/38/11/38/620381138.db2.gz KICQPZKIVVFSAA-SECBINFHSA-N 0 0 281.264 1.939 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2CO)c(Br)c1 ZINC000897118180 620381634 /nfs/dbraw/zinc/38/16/34/620381634.db2.gz GUZYETQNQUPPAJ-QMMMGPOBSA-N 0 0 287.113 1.928 20 5 CDBDRN CC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000041834668 621713338 /nfs/dbraw/zinc/71/33/38/621713338.db2.gz TYCKHROHHUTULZ-CYBMUJFWSA-N 0 0 266.297 1.980 20 5 CDBDRN CCOC(=O)Nc1ccc(OCC[N+](=O)[O-])cc1 ZINC000899231330 622105922 /nfs/dbraw/zinc/10/59/22/622105922.db2.gz QKCHBNRLLQYXEA-UHFFFAOYSA-N 0 0 254.242 1.911 20 5 CDBDRN CCn1c(SCC[N+](=O)[O-])nnc1-c1ccco1 ZINC000899860989 622487480 /nfs/dbraw/zinc/48/74/80/622487480.db2.gz OMZZNPDUSJMYAV-UHFFFAOYSA-N 0 0 268.298 1.927 20 5 CDBDRN O=[N+]([O-])CCSc1nnc(Cc2ccccc2)[nH]1 ZINC000899884895 622506763 /nfs/dbraw/zinc/50/67/63/622506763.db2.gz BIJHQUVZEJDFOO-UHFFFAOYSA-N 0 0 264.310 1.764 20 5 CDBDRN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000899914468 622537931 /nfs/dbraw/zinc/53/79/31/622537931.db2.gz TWGFOCRXUPVIJJ-UHFFFAOYSA-N 0 0 288.662 1.860 20 5 CDBDRN CC[C@@H](O)[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000900401915 623003923 /nfs/dbraw/zinc/00/39/23/623003923.db2.gz FKKAGPKPCMWEQB-BXKDBHETSA-N 0 0 266.297 1.618 20 5 CDBDRN CC[C@H](O)[C@H](C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901232884 624023530 /nfs/dbraw/zinc/02/35/30/624023530.db2.gz IZMGXQRXRLMGTF-GWCFXTLKSA-N 0 0 280.324 1.661 20 5 CDBDRN Cc1nn(CN2CC[C@H]2CO)c2cc([N+](=O)[O-])ccc12 ZINC000902631424 625062854 /nfs/dbraw/zinc/06/28/54/625062854.db2.gz HOWOFWBFQXZEBR-NSHDSACASA-N 0 0 276.296 1.277 20 5 CDBDRN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](F)C2)c1 ZINC000903003319 625767551 /nfs/dbraw/zinc/76/75/51/625767551.db2.gz LPVWNIBHUREKQH-AAEUAGOBSA-N 0 0 298.314 1.768 20 5 CDBDRN Cc1nc(NC(=O)C2(C(C)C)COC2)ccc1[N+](=O)[O-] ZINC000903818004 626095819 /nfs/dbraw/zinc/09/58/19/626095819.db2.gz SQXIWXXYCSNFFD-UHFFFAOYSA-N 0 0 279.296 1.909 20 5 CDBDRN C[C@H](c1ccc(NCC[N+](=O)[O-])cc1)N1CCOCC1 ZINC000905318452 626746843 /nfs/dbraw/zinc/74/68/43/626746843.db2.gz HXKCSRQAJDKQLR-GFCCVEGCSA-N 0 0 279.340 1.768 20 5 CDBDRN COc1ccc(NCC[N+](=O)[O-])cc1N1CCCCC1=O ZINC000905301625 626755097 /nfs/dbraw/zinc/75/50/97/626755097.db2.gz WJTWXPCYRGJVOV-UHFFFAOYSA-N 0 0 293.323 1.901 20 5 CDBDRN O=C([C@@H]1[C@@H]2CCC(=O)[C@@H]21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000906754307 627398055 /nfs/dbraw/zinc/39/80/55/627398055.db2.gz ZCIPHBXAEMELCV-OWYVNGRQSA-N 0 0 286.287 1.709 20 5 CDBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N(CC(F)(F)F)C1CC1 ZINC000908272400 628103953 /nfs/dbraw/zinc/10/39/53/628103953.db2.gz VUOMGYPWAUAOCC-UHFFFAOYSA-N 0 0 278.190 1.485 20 5 CDBDRN CCN(CC(C)=O)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000908396836 628181204 /nfs/dbraw/zinc/18/12/04/628181204.db2.gz ZYYHMPOWUMLJSE-UHFFFAOYSA-N 0 0 280.280 1.655 20 5 CDBDRN CN1C(=O)CC[C@@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000929497595 630656574 /nfs/dbraw/zinc/65/65/74/630656574.db2.gz IVTMERTVPTYYOP-SNVBAGLBSA-N 0 0 264.237 1.121 20 5 CDBDRN CCS(=O)(=O)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000917959592 632305455 /nfs/dbraw/zinc/30/54/55/632305455.db2.gz HJMPFVOAVMIHBW-UHFFFAOYSA-N 0 0 277.273 1.677 20 5 CDBDRN O=[N+]([O-])c1nccn1CCOCC(F)(F)C(F)F ZINC000918379449 632362874 /nfs/dbraw/zinc/36/28/74/632362874.db2.gz WYUMNDHWGCWSAI-UHFFFAOYSA-N 0 0 271.170 1.708 20 5 CDBDRN O=C(Nc1ccc(-n2nccn2)nc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000918628931 632400163 /nfs/dbraw/zinc/40/01/63/632400163.db2.gz ZOFAZEONNJVMGJ-UHFFFAOYSA-N 0 0 299.250 1.151 20 5 CDBDRN Cc1cc(COC(=O)c2c([N+](=O)[O-])c(C)nn2C)on1 ZINC000920660857 632816908 /nfs/dbraw/zinc/81/69/08/632816908.db2.gz MDRMAERVCZNTTQ-UHFFFAOYSA-N 0 0 280.240 1.290 20 5 CDBDRN O=C(NC[C@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000921070608 632871606 /nfs/dbraw/zinc/87/16/06/632871606.db2.gz RWRYGRXDTJIBGD-LBPRGKRZSA-N 0 0 293.254 1.525 20 5 CDBDRN O=C(CCn1ccnn1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000921146734 632889161 /nfs/dbraw/zinc/88/91/61/632889161.db2.gz CDJZFAFBIMKIBA-UHFFFAOYSA-N 0 0 294.242 1.459 20 5 CDBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccon1 ZINC000921267710 632908139 /nfs/dbraw/zinc/90/81/39/632908139.db2.gz ZNMQAOZYNMGKPQ-UHFFFAOYSA-N 0 0 281.199 1.739 20 5 CDBDRN COc1ccnc(NCC(C)(OC)OC)c1[N+](=O)[O-] ZINC001170433618 1162425103 /nfs/dbraw/zinc/42/51/03/1162425103.db2.gz GUYWRJOYPBGEFJ-UHFFFAOYSA-N 0 0 271.273 1.419 20 5 CDBDRN CC(=O)c1cc(N2CC(=O)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000804639129 1162495343 /nfs/dbraw/zinc/49/53/43/1162495343.db2.gz WCXZRHLQNIBAHB-VIFPVBQESA-N 0 0 291.307 1.464 20 5 CDBDRN COc1cnc(NCc2cncnc2)cc1[N+](=O)[O-] ZINC001167259231 1158552600 /nfs/dbraw/zinc/55/26/00/1158552600.db2.gz YOYIIBCFUYAINS-UHFFFAOYSA-N 0 0 261.241 1.401 20 5 CDBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)c1cnccn1 ZINC001169515142 1162010800 /nfs/dbraw/zinc/01/08/00/1162010800.db2.gz UIIJIXOXMVOEJR-SSDOTTSWSA-N 0 0 288.267 1.052 20 5 CDBDRN CCc1n[nH]c(C(=O)NN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001157468658 1162103555 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/nfs/dbraw/zinc/10/59/45/847105945.db2.gz SHAMDDCYDBNOPR-SECBINFHSA-N 0 0 261.318 1.915 20 5 CDBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCO1 ZINC000861962925 847163127 /nfs/dbraw/zinc/16/31/27/847163127.db2.gz RQIJJMPFLCOJLV-MJRJWQSSSA-N 0 0 278.264 1.097 20 5 CDBDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCO[C@H]2C[C@H]21 ZINC000868516437 847164640 /nfs/dbraw/zinc/16/46/40/847164640.db2.gz BXMFPJOSOSQAPX-MNOVXSKESA-N 0 0 280.255 1.276 20 5 CDBDRN COC[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C)O1 ZINC000829868976 847179287 /nfs/dbraw/zinc/17/92/87/847179287.db2.gz XBTCDUMVJXCDPF-GHMZBOCLSA-N 0 0 288.344 1.084 20 5 CDBDRN CCNC(=O)C[C@H](C)OC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000835998760 847180063 /nfs/dbraw/zinc/18/00/63/847180063.db2.gz HTBFGUPABKDPRS-JTQLQIEISA-N 0 0 294.307 1.975 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000860913005 847184922 /nfs/dbraw/zinc/18/49/22/847184922.db2.gz LAUNFYDDKUSNGM-JTQLQIEISA-N 0 0 296.254 1.462 20 5 CDBDRN CO[C@H]1C[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000881579233 847203141 /nfs/dbraw/zinc/20/31/41/847203141.db2.gz YYVSTNVIJAJRGU-OTCDBFHCSA-N 0 0 296.298 1.818 20 5 CDBDRN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cccnc1 ZINC000801895067 847221562 /nfs/dbraw/zinc/22/15/62/847221562.db2.gz JAEMATRKZCBQNE-UHFFFAOYSA-N 0 0 290.254 1.988 20 5 CDBDRN CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000882447611 847227056 /nfs/dbraw/zinc/22/70/56/847227056.db2.gz LYQYPHARJHLGNV-PWSUYJOCSA-N 0 0 296.327 1.113 20 5 CDBDRN Cc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000839732828 847234513 /nfs/dbraw/zinc/23/45/13/847234513.db2.gz FBUAQMHWQUDEMB-CHWSQXEVSA-N 0 0 260.293 1.545 20 5 CDBDRN CO[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCO1 ZINC000804644511 847240903 /nfs/dbraw/zinc/24/09/03/847240903.db2.gz GJISLBFBPQPROB-JTQLQIEISA-N 0 0 283.240 1.312 20 5 CDBDRN COc1cc([N+](=O)[O-])cn(CC[C@@H]2COC(C)(C)O2)c1=O ZINC000882271148 847260473 /nfs/dbraw/zinc/26/04/73/847260473.db2.gz MYTHKDOWBMCWEH-SNVBAGLBSA-N 0 0 298.295 1.307 20 5 CDBDRN COC[C@@H](CNc1cccc([N+](=O)[O-])c1C(C)=O)OC ZINC000882170564 847280999 /nfs/dbraw/zinc/28/09/99/847280999.db2.gz BNQKRKFDZMAVKV-SNVBAGLBSA-N 0 0 282.296 1.871 20 5 CDBDRN CCOC(=O)[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874153909 847296246 /nfs/dbraw/zinc/29/62/46/847296246.db2.gz UTXHYOVAHXWZQK-JTQLQIEISA-N 0 0 294.307 1.893 20 5 CDBDRN CCCCCNC(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829850364 847314187 /nfs/dbraw/zinc/31/41/87/847314187.db2.gz NRJPDAJLLHCYSO-MRVPVSSYSA-N 0 0 299.287 1.567 20 5 CDBDRN COCC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000834729146 847321537 /nfs/dbraw/zinc/32/15/37/847321537.db2.gz MOBLJEPZCOPQQW-UHFFFAOYSA-N 0 0 282.271 1.842 20 5 CDBDRN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(F)(F)C1 ZINC000828597845 847321802 /nfs/dbraw/zinc/32/18/02/847321802.db2.gz QNWBCAHCFSIUFY-SNVBAGLBSA-N 0 0 286.234 1.496 20 5 CDBDRN COC[C@@H](O)CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000848698411 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O=[N+]([O-])c1cc(Cn2cc(CCCO)nn2)ccc1Cl ZINC000881227369 847407715 /nfs/dbraw/zinc/40/77/15/847407715.db2.gz UEFNJSUPPALQQO-UHFFFAOYSA-N 0 0 296.714 1.813 20 5 CDBDRN CO[C@@](C)(C(=O)OCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000884517017 847430219 /nfs/dbraw/zinc/43/02/19/847430219.db2.gz ARXZPNRGOPBTOZ-CYBMUJFWSA-N 0 0 280.280 1.848 20 5 CDBDRN CCNC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817739795 847458953 /nfs/dbraw/zinc/45/89/53/847458953.db2.gz AOLQTCOEBNEGIY-JTQLQIEISA-N 0 0 294.307 1.893 20 5 CDBDRN CCCc1n[nH]c(C(=O)N2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000881666702 847524397 /nfs/dbraw/zinc/52/43/97/847524397.db2.gz DDCAFQYIONJKFQ-QMMMGPOBSA-N 0 0 284.291 1.702 20 5 CDBDRN COc1ncc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)cn1 ZINC000808795576 847530035 /nfs/dbraw/zinc/53/00/35/847530035.db2.gz WDOITGIAOJCULR-UHFFFAOYSA-N 0 0 289.251 1.065 20 5 CDBDRN CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(F)F ZINC000833200939 847533848 /nfs/dbraw/zinc/53/38/48/847533848.db2.gz JPYZJLCCVWTERM-SSDOTTSWSA-N 0 0 252.261 1.982 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C1OCCO1 ZINC000888422969 847539471 /nfs/dbraw/zinc/53/94/71/847539471.db2.gz HMEMAUMQWGJNGI-MRVPVSSYSA-N 0 0 282.252 1.165 20 5 CDBDRN CC(C)(CCC(=O)NC[C@H]1COC(C)(C)O1)[N+](=O)[O-] ZINC000826908268 847650075 /nfs/dbraw/zinc/65/00/75/847650075.db2.gz AQVKJYWKVLYJMD-VIFPVBQESA-N 0 0 274.317 1.090 20 5 CDBDRN CCc1nc(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC000839625541 847659403 /nfs/dbraw/zinc/65/94/03/847659403.db2.gz BJHBAPNSKVKLDW-RKDXNWHRSA-N 0 0 269.326 1.029 20 5 CDBDRN COc1cccc(C(=O)O[C@H](C)C[N+](=O)[O-])c1C ZINC000851045326 847685214 /nfs/dbraw/zinc/68/52/14/847685214.db2.gz KUCOPPDHNUFDIT-MRVPVSSYSA-N 0 0 253.254 1.826 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)CCS(C)(=O)=O ZINC000125131280 847691275 /nfs/dbraw/zinc/69/12/75/847691275.db2.gz KIIHEELBISUIFF-UHFFFAOYSA-N 0 0 287.293 1.243 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCCCCCO ZINC000803390498 847707041 /nfs/dbraw/zinc/70/70/41/847707041.db2.gz ZTZMWDMPDXHDBN-UHFFFAOYSA-N 0 0 286.259 1.636 20 5 CDBDRN COC(=O)C12CCC(C(=O)OCC(C)(C)[N+](=O)[O-])(CC1)C2 ZINC000851128217 847708201 /nfs/dbraw/zinc/70/82/01/847708201.db2.gz MSAHBWXMCLNDCK-UHFFFAOYSA-N 0 0 299.323 1.708 20 5 CDBDRN C[C@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829854850 847718540 /nfs/dbraw/zinc/71/85/40/847718540.db2.gz QPLNHKAMCIGSAD-QMMMGPOBSA-N 0 0 297.271 1.101 20 5 CDBDRN Cc1nc(N2CCC3(CC2)COCCO3)ccc1[N+](=O)[O-] ZINC000882997014 847720919 /nfs/dbraw/zinc/72/09/19/847720919.db2.gz RWAXDXDHFBIVOA-UHFFFAOYSA-N 0 0 293.323 1.684 20 5 CDBDRN COC[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1CCCOC1 ZINC000884795600 847759429 /nfs/dbraw/zinc/75/94/29/847759429.db2.gz GAIMPQBGYHIIAT-UWVGGRQHSA-N 0 0 284.316 1.182 20 5 CDBDRN CNC(=O)C1(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000869388061 847767818 /nfs/dbraw/zinc/76/78/18/847767818.db2.gz KNVPBFUHWJXAGS-UHFFFAOYSA-N 0 0 292.291 1.473 20 5 CDBDRN O=C(N[C@@H]1CC(=O)c2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841412866 847784583 /nfs/dbraw/zinc/78/45/83/847784583.db2.gz FBQYUCDOXXWEOX-GMTAPVOTSA-N 0 0 260.249 1.096 20 5 CDBDRN O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839557290 847785689 /nfs/dbraw/zinc/78/56/89/847785689.db2.gz YHLASZDKSFGCHG-CHWSQXEVSA-N 0 0 286.291 1.535 20 5 CDBDRN Cc1nn(CO[C@H]2CCCOC2)c(C)c1[N+](=O)[O-] ZINC000882017394 847804793 /nfs/dbraw/zinc/80/47/93/847804793.db2.gz HAFUCAKMEXAICA-JTQLQIEISA-N 0 0 255.274 1.561 20 5 CDBDRN C[C@@H](COC(=O)c1c[nH]nc1-c1ccccn1)[N+](=O)[O-] ZINC000813114763 847821502 /nfs/dbraw/zinc/82/15/02/847821502.db2.gz WJJDNXBBKJJKJM-QMMMGPOBSA-N 0 0 276.252 1.294 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000882125226 847860471 /nfs/dbraw/zinc/86/04/71/847860471.db2.gz NNJZNIOGUMGART-VHSXEESVSA-N 0 0 281.287 1.992 20 5 CDBDRN COCCN(Cc1onc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000879710654 847872208 /nfs/dbraw/zinc/87/22/08/847872208.db2.gz GIKFVZYOBCOWMX-UHFFFAOYSA-N 0 0 299.327 1.519 20 5 CDBDRN COc1c(C(=O)N2C[C@H]3C[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000793902526 847879461 /nfs/dbraw/zinc/87/94/61/847879461.db2.gz MNBAEDMIZBIRKK-OTYXRUKQSA-N 0 0 292.291 1.058 20 5 CDBDRN Cn1ncc(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000809948173 847907140 /nfs/dbraw/zinc/90/71/40/847907140.db2.gz XDLLKZGAVUPPOT-UHFFFAOYSA-N 0 0 268.660 1.956 20 5 CDBDRN COCCONC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000792400404 847914429 /nfs/dbraw/zinc/91/44/29/847914429.db2.gz BUTZYYAXEKUGOK-UHFFFAOYSA-N 0 0 283.284 1.911 20 5 CDBDRN O=C(NCCn1cccn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000049077714 847916480 /nfs/dbraw/zinc/91/64/80/847916480.db2.gz OGTQUDWWDKCVKI-UHFFFAOYSA-N 0 0 294.698 1.875 20 5 CDBDRN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000832722659 847945897 /nfs/dbraw/zinc/94/58/97/847945897.db2.gz TWKXCLHDAYCHQX-NSHDSACASA-N 0 0 284.243 1.179 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])[C@H]1OCCc2ccccc21 ZINC000860917506 847952682 /nfs/dbraw/zinc/95/26/82/847952682.db2.gz MHPILWGJZYWQGD-LBPRGKRZSA-N 0 0 265.265 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942206064 /nfs/dbraw/zinc/20/60/64/942206064.db2.gz ILCUMZOHBXKITE-SSDOTTSWSA-N 0 0 264.241 1.424 20 5 CDBDRN Cc1cc(=O)[nH]nc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001227799494 942226717 /nfs/dbraw/zinc/22/67/17/942226717.db2.gz ZBBYWUYHEPKQAN-LBPRGKRZSA-N 0 0 287.275 1.945 20 5 CDBDRN O=[N+]([O-])C[C@@H](Oc1cnc(C(F)(F)F)nc1)C1CC1 ZINC001227963188 942250079 /nfs/dbraw/zinc/25/00/79/942250079.db2.gz PZWNPRCRNZVLBD-MRVPVSSYSA-N 0 0 277.202 1.930 20 5 CDBDRN CN1CCO[C@H](COc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228001247 942254939 /nfs/dbraw/zinc/25/49/39/942254939.db2.gz UMLFIVCYPQMXBK-VIFPVBQESA-N 0 0 286.715 1.958 20 5 CDBDRN CCOC(=O)[C@H]1CC[C@@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228139362 942273735 /nfs/dbraw/zinc/27/37/35/942273735.db2.gz AQZIMAMMSSXJDW-JGVFFNPUSA-N 0 0 297.267 1.201 20 5 CDBDRN COc1ncc(F)c(O[C@@H](C[N+](=O)[O-])c2cccnc2)n1 ZINC001228465468 942321188 /nfs/dbraw/zinc/32/11/88/942321188.db2.gz SAMWJLXKFSZEOV-JTQLQIEISA-N 0 0 294.242 1.416 20 5 CDBDRN COc1nccc(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])n1 ZINC001228561709 942335850 /nfs/dbraw/zinc/33/58/50/942335850.db2.gz PYECBGXLTDIXLD-QMMMGPOBSA-N 0 0 293.283 1.366 20 5 CDBDRN COC(=O)c1cc(O[C@H]2CCOC[C@H]2F)cc([N+](=O)[O-])c1 ZINC001228770261 942373367 /nfs/dbraw/zinc/37/33/67/942373367.db2.gz IQURHQITBYFUPY-NEPJUHHUSA-N 0 0 299.254 1.887 20 5 CDBDRN CC(=O)N1CC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115000 942420802 /nfs/dbraw/zinc/42/08/02/942420802.db2.gz OUSBSVGCXJURIW-VOTSOKGWSA-N 0 0 262.265 1.544 20 5 CDBDRN C[C@@H](CON)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229347501 942456174 /nfs/dbraw/zinc/45/61/74/942456174.db2.gz SJVXDAURNOTIDV-QMMMGPOBSA-N 0 0 263.253 1.801 20 5 CDBDRN C[C@H](O)C(=O)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229343776 942456411 /nfs/dbraw/zinc/45/64/11/942456411.db2.gz HNZZQLPCJMYPKK-ZETCQYMHSA-N 0 0 262.221 1.429 20 5 CDBDRN CC[C@H](O)C(=O)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229344098 942456573 /nfs/dbraw/zinc/45/65/73/942456573.db2.gz PTNKWGHCDDLQLK-JTQLQIEISA-N 0 0 276.248 1.819 20 5 CDBDRN CC[C@H](O)C(=O)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229376867 942460773 /nfs/dbraw/zinc/46/07/73/942460773.db2.gz MDWBFMDFZLRPEO-QMMMGPOBSA-N 0 0 259.645 1.925 20 5 CDBDRN CCC[C@@H](CC(=O)OC)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451907 942475584 /nfs/dbraw/zinc/47/55/84/942475584.db2.gz JJXUJXUWADPGGM-VIFPVBQESA-N 0 0 284.268 1.339 20 5 CDBDRN O=C1OC[C@H](COc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC001229488620 942480754 /nfs/dbraw/zinc/48/07/54/942480754.db2.gz YBTJNCXYYKOZPA-ZETCQYMHSA-N 0 0 280.192 1.650 20 5 CDBDRN COC(=O)c1cc(O[C@H]2COC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001229943966 942555000 /nfs/dbraw/zinc/55/50/00/942555000.db2.gz WDTKJSCDFMAOBL-MADCSZMMSA-N 0 0 299.254 1.934 20 5 CDBDRN CCOC[C@H](C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230469 942591593 /nfs/dbraw/zinc/59/15/93/942591593.db2.gz RXHLKCGGTNGVFR-ZETCQYMHSA-N 0 0 266.257 1.670 20 5 CDBDRN C[C@H]1COC[C@@H]1Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230225837 942591680 /nfs/dbraw/zinc/59/16/80/942591680.db2.gz ZYLXBGOWJFXBCT-RCOVLWMOSA-N 0 0 264.241 1.280 20 5 CDBDRN O=[N+]([O-])c1c[nH]cc2nc(OC[C@@H]3CCO3)nc1-2 ZINC001230229888 942592107 /nfs/dbraw/zinc/59/21/07/942592107.db2.gz HVVVFVDPDFRHKS-LURJTMIESA-N 0 0 250.214 1.034 20 5 CDBDRN COC(=O)c1cnc(OC)c(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001230649897 942667502 /nfs/dbraw/zinc/66/75/02/942667502.db2.gz ALPHEJVCQNJNAN-LLVKDONJSA-N 0 0 296.279 1.311 20 5 CDBDRN CC(=O)Cc1c(F)c(OC[C@@H]2COCO2)ccc1[N+](=O)[O-] ZINC001230794656 942699041 /nfs/dbraw/zinc/69/90/41/942699041.db2.gz QSTAILLPSQQKER-VIFPVBQESA-N 0 0 299.254 1.617 20 5 CDBDRN COC(=O)c1c(C)cc(O)cc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001230874913 942719915 /nfs/dbraw/zinc/71/99/15/942719915.db2.gz CXQMEMIBZZMWFR-LBPRGKRZSA-N 0 0 295.291 1.921 20 5 CDBDRN CC[C@@H](O)C(=O)Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231052506 942768369 /nfs/dbraw/zinc/76/83/69/942768369.db2.gz DAQRDYCNORYXHZ-SECBINFHSA-N 0 0 277.236 1.214 20 5 CDBDRN C[C@@H](CON)Oc1ccc2nc3ccc(=O)cc-3oc2c1 ZINC001231334436 942858131 /nfs/dbraw/zinc/85/81/31/942858131.db2.gz JDBSXSVHCXFSIG-VIFPVBQESA-N 0 0 286.287 1.950 20 5 CDBDRN O=[N+]([O-])c1cc2nc(OC3COCOC3)[nH]c2cc1Cl ZINC001233498242 943602173 /nfs/dbraw/zinc/60/21/73/943602173.db2.gz LBAYIDTZZICJTB-UHFFFAOYSA-N 0 0 299.670 1.876 20 5 CDBDRN O=[N+]([O-])c1ccc(OC[C@H]2COCO2)cc1[N+](=O)[O-] ZINC001233702950 943643587 /nfs/dbraw/zinc/64/35/87/943643587.db2.gz SKFMODZCDPWDNQ-MRVPVSSYSA-N 0 0 270.197 1.255 20 5 CDBDRN CCOC(=O)[C@H]1C[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233859539 943674162 /nfs/dbraw/zinc/67/41/62/943674162.db2.gz PAENCCNTYJWDGX-WAAGHKOSSA-N 0 0 266.253 1.710 20 5 CDBDRN CCOC(=O)C1CC(Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857726 943674354 /nfs/dbraw/zinc/67/43/54/943674354.db2.gz PAENCCNTYJWDGX-UHFFFAOYSA-N 0 0 266.253 1.710 20 5 CDBDRN O=[N+]([O-])C[C@@H](Oc1ccnc([N+](=O)[O-])c1)C1CC1 ZINC001233858350 943674447 /nfs/dbraw/zinc/67/44/47/943674447.db2.gz VGCGKSIYNSSRSL-SECBINFHSA-N 0 0 253.214 1.424 20 5 CDBDRN COC(=O)c1cnc(O[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC001233859953 943674669 /nfs/dbraw/zinc/67/46/69/943674669.db2.gz SDFOAZMENWSKKQ-ZETCQYMHSA-N 0 0 266.253 1.954 20 5 CDBDRN COC(=O)c1cnc(O[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001233865638 943676211 /nfs/dbraw/zinc/67/62/11/943676211.db2.gz JAFSGRYOVAHHMJ-SCZZXKLOSA-N 0 0 296.279 1.723 20 5 CDBDRN CN(c1nnc(CCC[N+](=O)[O-])n1C)C1CC(C)(C)C1 ZINC001262860463 943704007 /nfs/dbraw/zinc/70/40/07/943704007.db2.gz UCMWBRWNDPAXLN-UHFFFAOYSA-N 0 0 281.360 1.649 20 5 CDBDRN Cn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001262864628 943706148 /nfs/dbraw/zinc/70/61/48/943706148.db2.gz LSCMOQNKYJJQFA-AOOOYVTPSA-N 0 0 265.317 1.218 20 5 CDBDRN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)C[C@@H]1CCCOC1 ZINC001263020752 943724251 /nfs/dbraw/zinc/72/42/51/943724251.db2.gz BZWSTPPTCHUVGA-MNOVXSKESA-N 0 0 297.359 1.499 20 5 CDBDRN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCC(F)(F)C1 ZINC001263414966 943856342 /nfs/dbraw/zinc/85/63/42/943856342.db2.gz OIZPMOJDCMEZPC-UHFFFAOYSA-N 0 0 289.286 1.556 20 5 CDBDRN COC(=O)Cc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1F ZINC001234532856 943882062 /nfs/dbraw/zinc/88/20/62/943882062.db2.gz VXLMOKTYJJKLHP-CYBMUJFWSA-N 0 0 297.282 1.975 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(O[C@H](C)c2cncnc2)n1 ZINC001234881029 943966686 /nfs/dbraw/zinc/96/66/86/943966686.db2.gz LCHMCAFKPBFSJE-MRVPVSSYSA-N 0 0 276.252 1.928 20 5 CDBDRN Cc1nccc([N+](=O)[O-])c1O[C@H]1C=C(C)OC(=O)C1 ZINC001234900814 943968942 /nfs/dbraw/zinc/96/89/42/943968942.db2.gz LJEAVGZFDHLHEW-VIFPVBQESA-N 0 0 264.237 1.896 20 5 CDBDRN Cc1nccc([N+](=O)[O-])c1O[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2 ZINC001234903347 943970422 /nfs/dbraw/zinc/97/04/22/943970422.db2.gz LEKUYPXNOZJUFA-NVPNIBCASA-N 0 0 290.275 1.627 20 5 CDBDRN Cc1cc(NC(=O)[C@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC001264010665 944063293 /nfs/dbraw/zinc/06/32/93/944063293.db2.gz IGCLDGRWYSJKJN-LLVKDONJSA-N 0 0 252.270 1.859 20 5 CDBDRN Cc1nccnc1CNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000700039917 944282933 /nfs/dbraw/zinc/28/29/33/944282933.db2.gz ARMHHGIZUAQPNN-UHFFFAOYSA-N 0 0 280.675 1.749 20 5 CDBDRN O=C(CO[C@H]1CCOC1)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001261585856 946184842 /nfs/dbraw/zinc/18/48/42/946184842.db2.gz LNEHBOISLQSSBV-NSHDSACASA-N 0 0 299.254 1.583 20 5 CDBDRN Cc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[nH]1 ZINC001261655761 946218712 /nfs/dbraw/zinc/21/87/12/946218712.db2.gz FIGBTDRTKGGECL-ZCFIWIBFSA-N 0 0 290.283 1.293 20 5 CDBDRN COC1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550594 947522483 /nfs/dbraw/zinc/52/24/83/947522483.db2.gz MRTHLUGGQPFNPB-JTQLQIEISA-N 0 0 250.298 1.856 20 5 CDBDRN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)CC(=O)N(C)C ZINC001254562147 947525461 /nfs/dbraw/zinc/52/54/61/947525461.db2.gz KBGHRJGNLFKXAV-LLVKDONJSA-N 0 0 279.340 1.546 20 5 CDBDRN Cc1ccnc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254568320 947531221 /nfs/dbraw/zinc/53/12/21/947531221.db2.gz SNUMYYUOJCSEKL-ZDUSSCGKSA-N 0 0 284.319 1.950 20 5 CDBDRN CCCOC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589047 947543281 /nfs/dbraw/zinc/54/32/81/947543281.db2.gz MALGAYJQAMXYOK-GFCCVEGCSA-N 0 0 278.308 1.605 20 5 CDBDRN O=c1[nH]cc([N+](=O)[O-])cc1-c1nnc([C@H]2CCOC2)o1 ZINC001255588043 948015090 /nfs/dbraw/zinc/01/50/90/948015090.db2.gz ZKCBTPLAFUCCPH-LURJTMIESA-N 0 0 278.224 1.249 20 5 CDBDRN COc1ccc(-c2nnc([C@@H]3CCOC3)o2)nc1[N+](=O)[O-] ZINC001255601441 948023226 /nfs/dbraw/zinc/02/32/26/948023226.db2.gz HQYGMUYSFLPJBL-SSDOTTSWSA-N 0 0 292.251 1.552 20 5 CDBDRN CC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001589554680 948778429 /nfs/dbraw/zinc/77/84/29/948778429.db2.gz UOMFEFJSPACHHT-QMMMGPOBSA-N 0 0 293.279 1.936 20 5 CDBDRN COc1ccc(Nc2cnn(CCO)c2)c([N+](=O)[O-])c1 ZINC001248466131 949050755 /nfs/dbraw/zinc/05/07/55/949050755.db2.gz LIUXNFXCPTWUIU-UHFFFAOYSA-N 0 0 278.268 1.536 20 5 CDBDRN CCOC(=O)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249175393 949444293 /nfs/dbraw/zinc/44/42/93/949444293.db2.gz QFTCFMBXJDLBPO-UHFFFAOYSA-N 0 0 282.187 1.356 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1-n1ccc(Cl)c(N)c1=N ZINC001249544088 949658578 /nfs/dbraw/zinc/65/85/78/949658578.db2.gz DIMICVYCLMEQJW-UHFFFAOYSA-N 0 0 279.687 1.804 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1-n1cnc(N)c2ccnc1-2 ZINC001249544075 949660058 /nfs/dbraw/zinc/66/00/58/949660058.db2.gz CMHNHVUKTUPZRH-UHFFFAOYSA-N 0 0 270.252 1.566 20 5 CDBDRN COc1ccc2nc(-c3c([N+](=O)[O-])ncn3C)n(C)c2c1 ZINC001251785304 950825862 /nfs/dbraw/zinc/82/58/62/950825862.db2.gz XQMRBXVDQDDMIG-UHFFFAOYSA-N 0 0 287.279 1.891 20 5 CDBDRN CC(C)(CCC(=O)N1CCCC[C@H]1CO)[N+](=O)[O-] ZINC001324410833 953375635 /nfs/dbraw/zinc/37/56/35/953375635.db2.gz AOOBOVNARHKGGS-JTQLQIEISA-N 0 0 258.318 1.195 20 5 CDBDRN CC(C)[C@H](O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324751465 953559645 /nfs/dbraw/zinc/55/96/45/953559645.db2.gz NKPHTZYUMWVINL-LBPRGKRZSA-N 0 0 264.281 1.454 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)CCOC2 ZINC001325210645 953775349 /nfs/dbraw/zinc/77/53/49/953775349.db2.gz UNOPCVSGPMRZGV-UHFFFAOYSA-N 0 0 291.307 1.499 20 5 CDBDRN O=C(Nc1noc2c1CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC001306906562 954078634 /nfs/dbraw/zinc/07/86/34/954078634.db2.gz GZJUPKKUHSIPFN-UHFFFAOYSA-N 0 0 277.240 1.437 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC(F)F ZINC001334411741 954124729 /nfs/dbraw/zinc/12/47/29/954124729.db2.gz VJRBXSKZQKSUFF-UHFFFAOYSA-N 0 0 290.270 1.651 20 5 CDBDRN CCn1nc(C)c(CNc2ncc([N+](=O)[O-])c(C)n2)n1 ZINC001326175292 954249366 /nfs/dbraw/zinc/24/93/66/954249366.db2.gz CGHOGNBWSZGOTD-UHFFFAOYSA-N 0 0 277.288 1.225 20 5 CDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(F)CCOC1 ZINC001326672414 954484233 /nfs/dbraw/zinc/48/42/33/954484233.db2.gz ONERYRSMZVXFTK-CYBMUJFWSA-N 0 0 282.271 1.682 20 5 CDBDRN Nc1nccc(C(=O)OCC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001326839513 954582723 /nfs/dbraw/zinc/58/27/23/954582723.db2.gz RWUMYNPKGJSUNL-MRVPVSSYSA-N 0 0 281.268 1.155 20 5 CDBDRN 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1.285 20 5 CDBDRN CNC(=O)c1ccc(N(C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000112966822 359369065 /nfs/dbraw/zinc/36/90/65/359369065.db2.gz QSBLUIOHTWLCDT-SNVBAGLBSA-N 0 0 279.296 1.180 20 5 CDBDRN Cc1c[nH]c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)n1 ZINC000137089599 363651945 /nfs/dbraw/zinc/65/19/45/363651945.db2.gz NEOIOICVWCDDNA-UHFFFAOYSA-N 0 0 278.272 1.160 20 5 CDBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCCO1 ZINC000339462197 359405472 /nfs/dbraw/zinc/40/54/72/359405472.db2.gz OFLGZRRWIOZIIB-MWLCHTKSSA-N 0 0 281.312 1.621 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccc(C(N)=O)c(F)c1 ZINC000347738712 359472293 /nfs/dbraw/zinc/47/22/93/359472293.db2.gz VVMMGBQGBLYEBG-UHFFFAOYSA-N 0 0 293.258 1.178 20 5 CDBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cncc(O)c1 ZINC000339947784 359513728 /nfs/dbraw/zinc/51/37/28/359513728.db2.gz VOCKNEFKYCXAHR-UHFFFAOYSA-N 0 0 287.275 1.668 20 5 CDBDRN Cn1cnc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000340060054 359546626 /nfs/dbraw/zinc/54/66/26/359546626.db2.gz BHNVNWGEFPOYPI-UHFFFAOYSA-N 0 0 289.295 1.170 20 5 CDBDRN CC1(C)[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000340013273 359532954 /nfs/dbraw/zinc/53/29/54/359532954.db2.gz HVCMCRPYWLDORI-AOOOYVTPSA-N 0 0 275.308 1.786 20 5 CDBDRN Cc1cc(F)c(NCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000296833345 200009659 /nfs/dbraw/zinc/00/96/59/200009659.db2.gz MRMRNEURMNWTTA-UHFFFAOYSA-N 0 0 290.316 1.889 20 5 CDBDRN Cc1c(CN(C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340217854 359612572 /nfs/dbraw/zinc/61/25/72/359612572.db2.gz DQEVTFZBESXNJH-LBPRGKRZSA-N 0 0 263.297 1.224 20 5 CDBDRN CC(=O)c1cc(N2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000228258437 359650376 /nfs/dbraw/zinc/65/03/76/359650376.db2.gz BLADNTJBPUJXLV-NSHDSACASA-N 0 0 264.281 1.759 20 5 CDBDRN C[C@H](CO)[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297252159 200125452 /nfs/dbraw/zinc/12/54/52/200125452.db2.gz NSWVKZGMYPDDFM-VWYCJHECSA-N 0 0 295.339 1.972 20 5 CDBDRN CCC(CC)[C@H](O)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297291426 200136274 /nfs/dbraw/zinc/13/62/74/200136274.db2.gz XYDLBFCBASCHNA-LLVKDONJSA-N 0 0 268.317 1.902 20 5 CDBDRN CC1=CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000571962154 359689154 /nfs/dbraw/zinc/68/91/54/359689154.db2.gz IKCALFRHTDAWCA-UHFFFAOYSA-N 0 0 283.309 1.331 20 5 CDBDRN O=[N+]([O-])c1ccc2c(ccnc2NC[C@]2(O)CCOC2)c1 ZINC000297407763 200179702 /nfs/dbraw/zinc/17/97/02/200179702.db2.gz GFXGCLNMBSCEDD-CQSZACIVSA-N 0 0 289.291 1.706 20 5 CDBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])CC[S@]1=O ZINC000408372901 359706437 /nfs/dbraw/zinc/70/64/37/359706437.db2.gz BXFQDOALNDPEND-DYBLOJMWSA-N 0 0 269.326 1.337 20 5 CDBDRN C[C@H]1CC[S@](=O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000408391252 359719998 /nfs/dbraw/zinc/71/99/98/359719998.db2.gz CJYGWVXYLRNVFB-YYSFKGJASA-N 0 0 288.394 1.999 20 5 CDBDRN COC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000297444856 200192659 /nfs/dbraw/zinc/19/26/59/200192659.db2.gz IXXXYEHLFRLVEI-SECBINFHSA-N 0 0 252.274 1.530 20 5 CDBDRN COC(=O)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297548205 200225052 /nfs/dbraw/zinc/22/50/52/200225052.db2.gz QMMXQKZJDYOIOQ-VIFPVBQESA-N 0 0 280.284 1.225 20 5 CDBDRN Cc1nc(N(C)C[C@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000297525888 200219171 /nfs/dbraw/zinc/21/91/71/200219171.db2.gz OWPMNEOZIATNSA-SECBINFHSA-N 0 0 252.274 1.166 20 5 CDBDRN C[C@H]1OCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000166716169 291203214 /nfs/dbraw/zinc/20/32/14/291203214.db2.gz NQYVRNHHHPBURF-NXEZZACHSA-N 0 0 264.281 1.844 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CN(C)C(=O)O1 ZINC000496314940 359910318 /nfs/dbraw/zinc/91/03/18/359910318.db2.gz VJQSRMXPVRWFDW-JTQLQIEISA-N 0 0 294.263 1.511 20 5 CDBDRN Nc1nc(SC[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000276859134 359932521 /nfs/dbraw/zinc/93/25/21/359932521.db2.gz GBDYGZCEFCFPQU-ZCFIWIBFSA-N 0 0 256.287 1.238 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](CO)C1 ZINC000051883742 359946246 /nfs/dbraw/zinc/94/62/46/359946246.db2.gz FHMJYSJYEKSUSK-SNVBAGLBSA-N 0 0 264.281 1.358 20 5 CDBDRN COC(=O)[C@H](C)SCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298120871 200338711 /nfs/dbraw/zinc/33/87/11/200338711.db2.gz UHVXBBBWOSUAKA-ZETCQYMHSA-N 0 0 298.320 1.488 20 5 CDBDRN CC(C)(CO)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000130396166 360027584 /nfs/dbraw/zinc/02/75/84/360027584.db2.gz CNLBHNJOWHSXFT-UHFFFAOYSA-N 0 0 297.311 1.224 20 5 CDBDRN CN(C(=O)CCn1ccnn1)c1ccc([N+](=O)[O-])cc1 ZINC000298196797 200357036 /nfs/dbraw/zinc/35/70/36/200357036.db2.gz UDACSXDOLTYQFA-UHFFFAOYSA-N 0 0 275.268 1.239 20 5 CDBDRN C[C@@H](CNc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000298310556 200391496 /nfs/dbraw/zinc/39/14/96/200391496.db2.gz PCGGKJGGTUTJTQ-NSHDSACASA-N 0 0 265.313 1.727 20 5 CDBDRN C[C@H](CCO)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235442253 360123695 /nfs/dbraw/zinc/12/36/95/360123695.db2.gz SDNLLTSURCFGLC-NXEZZACHSA-N 0 0 266.297 1.585 20 5 CDBDRN CC[C@@H](C)CN(CC)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000176632253 189002244 /nfs/dbraw/zinc/00/22/44/189002244.db2.gz NZJLOAULSVTNQF-LLVKDONJSA-N 0 0 295.339 1.651 20 5 CDBDRN CC(C)Cn1ncnc1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000514860871 360238170 /nfs/dbraw/zinc/23/81/70/360238170.db2.gz YCICLRXGLOOUOY-UHFFFAOYSA-N 0 0 295.274 1.191 20 5 CDBDRN C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000177126106 189030667 /nfs/dbraw/zinc/03/06/67/189030667.db2.gz ZNKGXSXREXNXFU-UWVGGRQHSA-N 0 0 266.301 1.438 20 5 CDBDRN CCOC(=O)[C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176421399 360288992 /nfs/dbraw/zinc/28/89/92/360288992.db2.gz SGKKNTYKHKNABD-SECBINFHSA-N 0 0 295.295 1.916 20 5 CDBDRN Cc1nc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[nH]1 ZINC000348079445 360359409 /nfs/dbraw/zinc/35/94/09/360359409.db2.gz LICNMSWMJOEQKU-UHFFFAOYSA-N 0 0 286.251 1.755 20 5 CDBDRN CCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000146151022 360450456 /nfs/dbraw/zinc/45/04/56/360450456.db2.gz WFDSSVSOZULVOB-JTQLQIEISA-N 0 0 267.285 1.564 20 5 CDBDRN CCn1c(C)nnc1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000177795108 189070483 /nfs/dbraw/zinc/07/04/83/189070483.db2.gz LXGRMKMNWOAHKA-UHFFFAOYSA-N 0 0 277.284 1.033 20 5 CDBDRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000177836556 189072893 /nfs/dbraw/zinc/07/28/93/189072893.db2.gz JTFYYWWPJARYGV-KOLCDFICSA-N 0 0 291.307 1.359 20 5 CDBDRN O=[N+]([O-])c1ccc(-c2ncn(CCn3cncn3)n2)cc1 ZINC000112690284 360530518 /nfs/dbraw/zinc/53/05/18/360530518.db2.gz JVRBKUPNDHTEQV-UHFFFAOYSA-N 0 0 285.267 1.145 20 5 CDBDRN Cc1cnc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)s1 ZINC000177859434 189075042 /nfs/dbraw/zinc/07/50/42/189075042.db2.gz PYYVNKBFCNTBFN-QMMMGPOBSA-N 0 0 295.324 1.434 20 5 CDBDRN CCOCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000177979637 189083030 /nfs/dbraw/zinc/08/30/30/189083030.db2.gz NYBPHJSRPNWHKE-UHFFFAOYSA-N 0 0 267.285 1.286 20 5 CDBDRN C[C@H](CCO)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000161074107 360608879 /nfs/dbraw/zinc/60/88/79/360608879.db2.gz JENHZAZLBVDIBH-SNVBAGLBSA-N 0 0 281.312 1.141 20 5 CDBDRN Cc1cnc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000178282168 189102112 /nfs/dbraw/zinc/10/21/12/189102112.db2.gz WMYVELVOWYPBTL-UHFFFAOYSA-N 0 0 265.269 1.299 20 5 CDBDRN O=[N+]([O-])c1ccn(CCSC2=NCCS2)n1 ZINC000178454206 189118098 /nfs/dbraw/zinc/11/80/98/189118098.db2.gz IVLGVOKSXVNMIG-UHFFFAOYSA-N 0 0 258.328 1.627 20 5 CDBDRN CC1(CNC(=O)c2cccc([N+](=O)[O-])c2)OCCO1 ZINC000179016482 189162197 /nfs/dbraw/zinc/16/21/97/189162197.db2.gz ZIUVQVFCZAYDIG-UHFFFAOYSA-N 0 0 266.253 1.088 20 5 CDBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCO ZINC000179396956 189190970 /nfs/dbraw/zinc/19/09/70/189190970.db2.gz TZAPUNCLMRCPHA-UHFFFAOYSA-N 0 0 266.297 1.584 20 5 CDBDRN O=[N+]([O-])c1ncn(Cc2ccc(Oc3ccccc3)nn2)n1 ZINC000345503881 360941462 /nfs/dbraw/zinc/94/14/62/360941462.db2.gz BRPJYBBUNPIHOP-UHFFFAOYSA-N 0 0 298.262 1.817 20 5 CDBDRN CNC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179491984 189197625 /nfs/dbraw/zinc/19/76/25/189197625.db2.gz LQXRUYIKGHROAL-UHFFFAOYSA-N 0 0 299.714 1.456 20 5 CDBDRN CNc1nccc(C(=O)NC[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000575136562 360926371 /nfs/dbraw/zinc/92/63/71/360926371.db2.gz CJKQZASOPWSZQB-ZJUUUORDSA-N 0 0 292.339 1.619 20 5 CDBDRN Cc1ccc([C@@H](C)NC(=O)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000177870592 238327762 /nfs/dbraw/zinc/32/77/62/238327762.db2.gz POBLTMOUVUYJMW-SNVBAGLBSA-N 0 0 293.323 1.559 20 5 CDBDRN Cc1nn(C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000179860027 189224945 /nfs/dbraw/zinc/22/49/45/189224945.db2.gz FAPSXJGFPANEOS-ZDUSSCGKSA-N 0 0 291.307 1.677 20 5 CDBDRN CC(C)(O)C(C)(C)CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455031418 252379273 /nfs/dbraw/zinc/37/92/73/252379273.db2.gz GYKGCOQJCKKSRW-UHFFFAOYSA-N 0 0 296.327 1.330 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NCC(=O)NCC1CC1 ZINC000301079122 200908887 /nfs/dbraw/zinc/90/88/87/200908887.db2.gz NBSJHDGLMMQQNW-UHFFFAOYSA-N 0 0 263.297 1.841 20 5 CDBDRN COC[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000180776725 189274337 /nfs/dbraw/zinc/27/43/37/189274337.db2.gz MZXUVPFKYGZPMV-SSDOTTSWSA-N 0 0 261.661 1.634 20 5 CDBDRN C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000267606704 361205388 /nfs/dbraw/zinc/20/53/88/361205388.db2.gz GEKHKTVRJDZOLK-DTORHVGOSA-N 0 0 299.352 1.334 20 5 CDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COCCN1C ZINC000345553661 361189034 /nfs/dbraw/zinc/18/90/34/361189034.db2.gz KPNLPYOKVKJEOG-GFCCVEGCSA-N 0 0 279.296 1.172 20 5 CDBDRN O=C(NC1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000035101748 361240071 /nfs/dbraw/zinc/24/00/71/361240071.db2.gz BANBJEQYJZKPDH-UHFFFAOYSA-N 0 0 264.281 1.628 20 5 CDBDRN O=C(NCc1c[nH]cn1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345632362 361280499 /nfs/dbraw/zinc/28/04/99/361280499.db2.gz LSPORUOEQJSWIC-UHFFFAOYSA-N 0 0 297.274 1.796 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](CO)O[C@@H](C)C1 ZINC000191782231 361317651 /nfs/dbraw/zinc/31/76/51/361317651.db2.gz XERYXVUEFNZSES-GXFFZTMASA-N 0 0 296.323 1.185 20 5 CDBDRN O=C(NCCn1cnnc1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000345659126 361371243 /nfs/dbraw/zinc/37/12/43/361371243.db2.gz IOZNOFGVGSSSQF-UHFFFAOYSA-N 0 0 291.267 1.087 20 5 CDBDRN CN(C[C@@H](O)C1CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301569636 201073150 /nfs/dbraw/zinc/07/31/50/201073150.db2.gz XLAMMBVSONULHX-SNVBAGLBSA-N 0 0 271.704 1.850 20 5 CDBDRN C[C@@H]1CO[C@@H](CO)CN1Cc1ccccc1[N+](=O)[O-] ZINC000129672982 361381996 /nfs/dbraw/zinc/38/19/96/361381996.db2.gz XJWNHXZJHWDUKU-ZYHUDNBSSA-N 0 0 266.297 1.176 20 5 CDBDRN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264330300 361462630 /nfs/dbraw/zinc/46/26/30/361462630.db2.gz WYLWKYBWUZLLRH-XPUUQOCRSA-N 0 0 252.274 1.545 20 5 CDBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000275131394 192926256 /nfs/dbraw/zinc/92/62/56/192926256.db2.gz OEOQRTPUFXSUFY-QMMMGPOBSA-N 0 0 282.300 1.038 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCCn1cnnc1C1CC1 ZINC000301747757 201174317 /nfs/dbraw/zinc/17/43/17/201174317.db2.gz RGYMPVVCDOMYPH-UHFFFAOYSA-N 0 0 288.311 1.879 20 5 CDBDRN CN(CC1CC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301851901 201231603 /nfs/dbraw/zinc/23/16/03/201231603.db2.gz AQUDNOHAWHWGQN-UHFFFAOYSA-N 0 0 284.337 1.845 20 5 CDBDRN C[C@]1(CO)CCC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301862321 201237040 /nfs/dbraw/zinc/23/70/40/201237040.db2.gz FPHZQMNQQWDGEH-TVQRCGJNSA-N 0 0 291.311 1.601 20 5 CDBDRN CN(C[C@@H](O)C1CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000301922309 201264458 /nfs/dbraw/zinc/26/44/58/201264458.db2.gz XTEVMNIKDGTUMD-LLVKDONJSA-N 0 0 254.261 1.941 20 5 CDBDRN CC(=O)NCCN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000568756343 294095544 /nfs/dbraw/zinc/09/55/44/294095544.db2.gz PTRFNAQIKOZMNU-UHFFFAOYSA-N 0 0 271.704 1.821 20 5 CDBDRN CC[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000580945802 363956456 /nfs/dbraw/zinc/95/64/56/363956456.db2.gz IWVBJKQBHBDMJJ-RKDXNWHRSA-N 0 0 282.300 1.348 20 5 CDBDRN CCO[C@H]1C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000581705501 364012678 /nfs/dbraw/zinc/01/26/78/364012678.db2.gz MKXGMYVMGGPYRH-STQMWFEESA-N 0 0 278.308 1.821 20 5 CDBDRN CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H](C)O ZINC000456198052 363983558 /nfs/dbraw/zinc/98/35/58/363983558.db2.gz BYCQCKMFTTVDRG-HTRCEHHLSA-N 0 0 258.299 1.546 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CO[C@@H](C)C1 ZINC000581426467 363986898 /nfs/dbraw/zinc/98/68/98/363986898.db2.gz UMHLZGUDSYVMOF-DTWKUNHWSA-N 0 0 279.296 1.544 20 5 CDBDRN Cc1cc(S(=O)(=O)NCC(F)F)cc([N+](=O)[O-])c1F ZINC000137152506 364020213 /nfs/dbraw/zinc/02/02/13/364020213.db2.gz IBHWIPYFZMRSEC-UHFFFAOYSA-N 0 0 298.242 1.586 20 5 CDBDRN CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000456219155 364028348 /nfs/dbraw/zinc/02/83/48/364028348.db2.gz MOYYXKQGSGBMFU-VHSXEESVSA-N 0 0 281.312 1.282 20 5 CDBDRN CC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000456225298 364038687 /nfs/dbraw/zinc/03/86/87/364038687.db2.gz PYOBXIIMLDTPKV-WDEREUQCSA-N 0 0 296.323 1.639 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2ccc(C)nc2C)c1[N+](=O)[O-] ZINC000268007547 364049356 /nfs/dbraw/zinc/04/93/56/364049356.db2.gz PUYVAYWQLIWTSZ-UHFFFAOYSA-N 0 0 275.268 1.890 20 5 CDBDRN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088059336 364049420 /nfs/dbraw/zinc/04/94/20/364049420.db2.gz WGLFUDKLYMALNY-VIFPVBQESA-N 0 0 264.285 1.420 20 5 CDBDRN CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H](C)O ZINC000456244569 364052054 /nfs/dbraw/zinc/05/20/54/364052054.db2.gz ZFBZWOVDJJKEQX-IMTBSYHQSA-N 0 0 285.275 1.205 20 5 CDBDRN CC(C)N(CC1CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000582041287 364065080 /nfs/dbraw/zinc/06/50/80/364065080.db2.gz NOIMMWJFHDIUBA-UHFFFAOYSA-N 0 0 293.323 1.404 20 5 CDBDRN COC[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000354446666 364158827 /nfs/dbraw/zinc/15/88/27/364158827.db2.gz YWRWOUXUCUCROC-QMMMGPOBSA-N 0 0 298.295 1.377 20 5 CDBDRN CCOC(=O)c1cc(NC[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000268195438 364445360 /nfs/dbraw/zinc/44/53/60/364445360.db2.gz XNXZQJLWWJVTEV-VIFPVBQESA-N 0 0 282.296 1.812 20 5 CDBDRN Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2=O)ncc1[N+](=O)[O-] ZINC000268222263 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CCO/C=C/C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000493001848 253344716 /nfs/dbraw/zinc/34/47/16/253344716.db2.gz CVZLJILKLJRNKY-VOTSOKGWSA-N 0 0 251.242 1.787 20 5 CDBDRN CCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1COC1 ZINC000493054914 253357710 /nfs/dbraw/zinc/35/77/10/253357710.db2.gz FCQAFBYWRTUROK-XQRVVYSFSA-N 0 0 294.282 1.994 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293874562 285123334 /nfs/dbraw/zinc/12/33/34/285123334.db2.gz BAXMOERKMZWOFF-SNVBAGLBSA-N 0 0 281.268 1.854 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)CO)nc1-c1ccccc1 ZINC000301873296 285134812 /nfs/dbraw/zinc/13/48/12/285134812.db2.gz DMQZAXSRRKEYGP-LLVKDONJSA-N 0 0 289.291 1.422 20 5 CDBDRN O=C1NCC2(CN(c3ccc(F)cc3[N+](=O)[O-])C2)O1 ZINC000496192037 253852820 /nfs/dbraw/zinc/85/28/20/253852820.db2.gz AUXZOHYKMYZESA-UHFFFAOYSA-N 0 0 267.216 1.033 20 5 CDBDRN CC[C@@H](C)[C@@H](O)CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000289020140 197215837 /nfs/dbraw/zinc/21/58/37/197215837.db2.gz 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CCOC1CC(N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000288255896 197036800 /nfs/dbraw/zinc/03/68/00/197036800.db2.gz LHMBWZPGZBHVDF-UHFFFAOYSA-N 0 0 282.300 1.266 20 5 CDBDRN CCOC(=O)CSc1c([N+](=O)[O-])c(CC)nn1C ZINC000288223887 197030507 /nfs/dbraw/zinc/03/05/07/197030507.db2.gz VRLWQSKUZDKULQ-UHFFFAOYSA-N 0 0 273.314 1.546 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CC(N)=O)CC1 ZINC000288125809 197009660 /nfs/dbraw/zinc/00/96/60/197009660.db2.gz MBIBETKWXPEAEF-UHFFFAOYSA-N 0 0 295.343 1.211 20 5 CDBDRN Cc1cn(CC(=O)N2[C@H](C)CCC[C@@H]2C)nc1[N+](=O)[O-] ZINC000281290553 195183123 /nfs/dbraw/zinc/18/31/23/195183123.db2.gz YDAROSJKEGJGFN-PHIMTYICSA-N 0 0 280.328 1.889 20 5 CDBDRN CS(=O)(=O)CCSc1c(F)cccc1[N+](=O)[O-] ZINC000287374077 196843981 /nfs/dbraw/zinc/84/39/81/196843981.db2.gz OGDOLLJYJJEHDM-UHFFFAOYSA-N 0 0 279.314 1.871 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1CN(C)Cc1nncn1C ZINC000287090128 196777782 /nfs/dbraw/zinc/77/77/82/196777782.db2.gz XBAJFVBIJQYFFH-UHFFFAOYSA-N 0 0 291.311 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292.299 1.577 20 5 CDBDRN C[C@@H](O)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000228660522 267244846 /nfs/dbraw/zinc/24/48/46/267244846.db2.gz OHDJTFIRAPHXFN-WSKFYRRCSA-N 0 0 278.308 1.885 20 5 CDBDRN Cc1cnc(N2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000398753993 270360348 /nfs/dbraw/zinc/36/03/48/270360348.db2.gz DGGXLQWGRZCJTK-MNOVXSKESA-N 0 0 265.313 1.753 20 5 CDBDRN Cc1cnc(N2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000398753995 270360460 /nfs/dbraw/zinc/36/04/60/270360460.db2.gz DGGXLQWGRZCJTK-QWRGUYRKSA-N 0 0 265.313 1.753 20 5 CDBDRN CC(C)(O)CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000515028945 270421451 /nfs/dbraw/zinc/42/14/51/270421451.db2.gz MGLKNRFGWMRHQG-UHFFFAOYSA-N 0 0 295.339 1.674 20 5 CDBDRN C[C@@H]1CCSCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000361399785 287660438 /nfs/dbraw/zinc/66/04/38/287660438.db2.gz JARZVLMCYNWCQZ-MRVPVSSYSA-N 0 0 284.341 1.296 20 5 CDBDRN C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[C@@H]1C ZINC001590317479 1173354304 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ZINC000794622986 705391371 /nfs/dbraw/zinc/39/13/71/705391371.db2.gz IVRPITUVBROPEV-UHFFFAOYSA-N 0 0 265.269 1.802 20 5 CDBDRN C[C@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000887402667 705407510 /nfs/dbraw/zinc/40/75/10/705407510.db2.gz HEOALVJIYKSKKR-MFKMUULPSA-N 0 0 278.308 1.994 20 5 CDBDRN O=C(N[C@H]1C[C@H](CO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000886881903 705420568 /nfs/dbraw/zinc/42/05/68/705420568.db2.gz WCNDGWQTIAKAOK-ZKCHVHJHSA-N 0 0 268.244 1.235 20 5 CDBDRN CSc1cccc(C(=O)N[C@@H]2COC(=O)C2)c1[N+](=O)[O-] ZINC000854555153 705461170 /nfs/dbraw/zinc/46/11/70/705461170.db2.gz ALQOECYENGCQHJ-ZETCQYMHSA-N 0 0 296.304 1.362 20 5 CDBDRN CN(Cc1nccn1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776594014 705461804 /nfs/dbraw/zinc/46/18/04/705461804.db2.gz QZIISYWMXNFMMC-ZDUSSCGKSA-N 0 0 290.323 1.494 20 5 CDBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(F)n1 ZINC000787134567 705473474 /nfs/dbraw/zinc/47/34/74/705473474.db2.gz WFVPWEPEUQKOID-UHFFFAOYSA-N 0 0 290.254 1.641 20 5 CDBDRN CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886846548 705480940 /nfs/dbraw/zinc/48/09/40/705480940.db2.gz DKDBVBRVESUJPK-LLVKDONJSA-N 0 0 265.313 1.484 20 5 CDBDRN COc1ccc(OC(=O)[C@@H](NC=O)C(C)C)cc1[N+](=O)[O-] ZINC000860702253 705508392 /nfs/dbraw/zinc/50/83/92/705508392.db2.gz ADWLBKXUTHNCDK-LBPRGKRZSA-N 0 0 296.279 1.279 20 5 CDBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NCC1(CO)COC1 ZINC000834650096 705509021 /nfs/dbraw/zinc/50/90/21/705509021.db2.gz FTEDRXJNLXRGDS-UHFFFAOYSA-N 0 0 295.339 1.836 20 5 CDBDRN CCOc1ccccc1C(=O)OCCC[N+](=O)[O-] ZINC000860913195 705534686 /nfs/dbraw/zinc/53/46/86/705534686.db2.gz SXDYIPLHOARFNM-UHFFFAOYSA-N 0 0 253.254 1.909 20 5 CDBDRN COc1cc(CC(=O)OCCC[N+](=O)[O-])ccc1C ZINC000860913470 705545903 /nfs/dbraw/zinc/54/59/03/705545903.db2.gz CTSVPWOPVBWZJH-UHFFFAOYSA-N 0 0 267.281 1.756 20 5 CDBDRN CCC[C@](C)(CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801947417 705560798 /nfs/dbraw/zinc/56/07/98/705560798.db2.gz UGSNNBBYLQICMO-CYBMUJFWSA-N 0 0 299.302 1.597 20 5 CDBDRN C[C@H](OC(=O)c1ncn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000810550073 705563744 /nfs/dbraw/zinc/56/37/44/705563744.db2.gz UFWYHBUCSHUWGL-QMMMGPOBSA-N 0 0 276.252 1.641 20 5 CDBDRN CC(C)(COC(=O)C[C@H]1COc2ccccc2O1)[N+](=O)[O-] ZINC000851128881 705564491 /nfs/dbraw/zinc/56/44/91/705564491.db2.gz HBVAHOMIPNHTSF-JTQLQIEISA-N 0 0 295.291 1.815 20 5 CDBDRN CC/C=C/CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836812329 705566195 /nfs/dbraw/zinc/56/61/95/705566195.db2.gz NNNDZHHMLSJXCJ-AAOUONPWSA-N 0 0 264.281 1.711 20 5 CDBDRN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840283100 705566277 /nfs/dbraw/zinc/56/62/77/705566277.db2.gz SAMUYEBDNOKJOW-GMTAPVOTSA-N 0 0 280.328 1.079 20 5 CDBDRN CC[C@H]1C[N@H+](C)CCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000840093899 705574110 /nfs/dbraw/zinc/57/41/10/705574110.db2.gz OWEBMGDENOIAPI-LBPRGKRZSA-N 0 0 281.360 1.392 20 5 CDBDRN CC(C)NC(=O)COC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000796253491 705576820 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710344671 /nfs/dbraw/zinc/34/46/71/710344671.db2.gz WGJAWJDTPLSCQX-UHFFFAOYSA-N 0 0 285.250 1.929 20 5 CDBDRN CC[C@@H]1C[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000797847992 710350001 /nfs/dbraw/zinc/35/00/01/710350001.db2.gz AZCVODSIDGAEAI-HTRCEHHLSA-N 0 0 276.339 1.733 20 5 CDBDRN COc1cccc(N2CCc3ncncc3C2)c1[N+](=O)[O-] ZINC000883017812 710355394 /nfs/dbraw/zinc/35/53/94/710355394.db2.gz BWVDRQSWKXBSOJ-UHFFFAOYSA-N 0 0 286.291 1.956 20 5 CDBDRN CCc1[nH]nc(C(=O)OCc2ccnc(C)c2)c1[N+](=O)[O-] ZINC000856934649 710366350 /nfs/dbraw/zinc/36/63/50/710366350.db2.gz XWAQOLZYNGBWMP-UHFFFAOYSA-N 0 0 290.279 1.941 20 5 CDBDRN COC(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000775668462 710370558 /nfs/dbraw/zinc/37/05/58/710370558.db2.gz AESGDYYSRDQBPZ-UHFFFAOYSA-N 0 0 271.298 1.545 20 5 CDBDRN CCn1nnc(C)c1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000835689823 710384515 /nfs/dbraw/zinc/38/45/15/710384515.db2.gz IUIPODCPQSJTDW-UHFFFAOYSA-N 0 0 290.279 1.872 20 5 CDBDRN Cc1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)n1 ZINC000848353052 710385247 /nfs/dbraw/zinc/38/52/47/710385247.db2.gz HFXRTJPHNNWXKY-UHFFFAOYSA-N 0 0 291.267 1.141 20 5 CDBDRN COCCC1(NC(=O)CCC(C)(C)[N+](=O)[O-])CCC1 ZINC000831571864 710385463 /nfs/dbraw/zinc/38/54/63/710385463.db2.gz OQJWWBZWEFIPIQ-UHFFFAOYSA-N 0 0 272.345 1.897 20 5 CDBDRN CC(C)(CCC(=O)N[C@H]([C@@H](CO)C1CC1)C1CC1)[N+](=O)[O-] ZINC000834000268 710391250 /nfs/dbraw/zinc/39/12/50/710391250.db2.gz BDUGSDYCRDFVAO-JSGCOSHPSA-N 0 0 298.383 1.735 20 5 CDBDRN Cc1cccc(CN(C)c2c([N+](=O)[O-])cnn2C)n1 ZINC000892862971 710392804 /nfs/dbraw/zinc/39/28/04/710392804.db2.gz KJJNUJHWWAYSCM-UHFFFAOYSA-N 0 0 261.285 1.668 20 5 CDBDRN Cn1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)nn1 ZINC000808405068 710396074 /nfs/dbraw/zinc/39/60/74/710396074.db2.gz WNSAQFRHOMHERA-UHFFFAOYSA-N 0 0 295.686 1.307 20 5 CDBDRN COCCOC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000885148682 710412943 /nfs/dbraw/zinc/41/29/43/710412943.db2.gz RFERUAJLQCRJHU-UHFFFAOYSA-N 0 0 298.299 1.211 20 5 CDBDRN COCC1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000887574378 710416198 /nfs/dbraw/zinc/41/61/98/710416198.db2.gz DSTSIKQDYGKXJH-UHFFFAOYSA-N 0 0 295.295 1.714 20 5 CDBDRN COC[C@@H](C)OC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714016471 710428486 /nfs/dbraw/zinc/42/84/86/710428486.db2.gz GFZDVPUKDAZWEV-SSDOTTSWSA-N 0 0 257.217 1.926 20 5 CDBDRN C[C@@H](COC(=O)c1sc(N(C)C)nc1Cl)[N+](=O)[O-] ZINC000835457658 710431613 /nfs/dbraw/zinc/43/16/13/710431613.db2.gz XZLKQFFTSQQCLO-YFKPBYRVSA-N 0 0 293.732 1.685 20 5 CDBDRN NC(=O)[C@H](F)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000882656583 710447465 /nfs/dbraw/zinc/44/74/65/710447465.db2.gz YNNWIQKINRZKPL-GFCCVEGCSA-N 0 0 299.277 1.774 20 5 CDBDRN CCCN1C[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)CC1=O ZINC000840245546 710450377 /nfs/dbraw/zinc/45/03/77/710450377.db2.gz BCOQBNJQCSYFPD-SNVBAGLBSA-N 0 0 292.291 1.759 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC(N3CCOCC3)C2)c(Cl)c1 ZINC000894369174 710458953 /nfs/dbraw/zinc/45/89/53/710458953.db2.gz BBMWYQIORDLACW-UHFFFAOYSA-N 0 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FCNGZBKCSOKJPA-UHFFFAOYSA-N 0 0 281.293 1.545 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H]([NH3+])C(C)C)no1 ZINC000843151438 710518552 /nfs/dbraw/zinc/51/85/52/710518552.db2.gz ZNAVCGKDXMZMIA-SNVBAGLBSA-N 0 0 280.288 1.187 20 5 CDBDRN O=CN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000818809225 710526707 /nfs/dbraw/zinc/52/67/07/710526707.db2.gz KDGRBEWCHZATMH-UHFFFAOYSA-N 0 0 292.295 1.291 20 5 CDBDRN CC(C)O[C@H]1C[C@@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000836131360 710535917 /nfs/dbraw/zinc/53/59/17/710535917.db2.gz ZJHLZJQPJDLUQG-PHIMTYICSA-N 0 0 283.284 1.291 20 5 CDBDRN C[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000842364593 710543652 /nfs/dbraw/zinc/54/36/52/710543652.db2.gz ZHDDHVKCEHOMEH-JGVFFNPUSA-N 0 0 261.274 1.173 20 5 CDBDRN CCn1c(=O)[nH]c2cc(C(=O)O[C@@H](C)C[N+](=O)[O-])ccc21 ZINC000851047078 710547811 /nfs/dbraw/zinc/54/78/11/710547811.db2.gz UUASTYIXMYYXJC-QMMMGPOBSA-N 0 0 293.279 1.584 20 5 CDBDRN CC[C@H](C)N(CC(=O)OC)Cc1cccnc1[N+](=O)[O-] ZINC000886185724 710550741 /nfs/dbraw/zinc/55/07/41/710550741.db2.gz FTHAUPYQOIVZIJ-JTQLQIEISA-N 0 0 281.312 1.763 20 5 CDBDRN C[C@@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ncccc1F ZINC000791802879 710552202 /nfs/dbraw/zinc/55/22/02/710552202.db2.gz HGFGHRBKGUIUSI-MRVPVSSYSA-N 0 0 294.242 1.630 20 5 CDBDRN COc1ccc(OCc2nonc2C)cc1[N+](=O)[O-] ZINC000853692656 710554340 /nfs/dbraw/zinc/55/43/40/710554340.db2.gz XDKFWDKFTVVQOX-UHFFFAOYSA-N 0 0 265.225 1.874 20 5 CDBDRN CCOC(=O)C(C)(C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130465 710581124 /nfs/dbraw/zinc/58/11/24/710581124.db2.gz WZYIDIIKSLLHHL-UHFFFAOYSA-N 0 0 275.301 1.564 20 5 CDBDRN CC[C@H](CS(=O)(=O)Oc1cccc([N+](=O)[O-])c1)OC ZINC000817128297 710557547 /nfs/dbraw/zinc/55/75/47/710557547.db2.gz LBSVQMUAXWNTMR-SNVBAGLBSA-N 0 0 289.309 1.728 20 5 CDBDRN CCC(C)(C)c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000867174327 710573256 /nfs/dbraw/zinc/57/32/56/710573256.db2.gz LOPNKLVIGQNQIM-UHFFFAOYSA-N 0 0 265.273 1.910 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)C1CC1 ZINC000851933248 710582656 /nfs/dbraw/zinc/58/26/56/710582656.db2.gz PIXAAPMXEAENOM-NSHDSACASA-N 0 0 254.261 1.594 20 5 CDBDRN CCc1nn(C)c(NC[C@@H]2C[C@@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000884800290 710706080 /nfs/dbraw/zinc/70/60/80/710706080.db2.gz TYGULGBJSFVXAD-YUMQZZPRSA-N 0 0 282.300 1.112 20 5 CDBDRN C[C@@H]1CC(=O)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000776277614 710714640 /nfs/dbraw/zinc/71/46/40/710714640.db2.gz OOUCAOIELUMIEA-LDYMZIIASA-N 0 0 278.264 1.023 20 5 CDBDRN CC[C@H](C(=O)OC)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000791631659 710729288 /nfs/dbraw/zinc/72/92/88/710729288.db2.gz LKLNDDYLCZLCKD-MRVPVSSYSA-N 0 0 299.254 1.976 20 5 CDBDRN CCCC(=O)COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000738635358 710758199 /nfs/dbraw/zinc/75/81/99/710758199.db2.gz FVHNZONBSDHAIX-UHFFFAOYSA-N 0 0 269.257 1.094 20 5 CDBDRN Cc1noc(CN2CCC[C@]23CCOC3=O)c1[N+](=O)[O-] ZINC000851957471 710792991 /nfs/dbraw/zinc/79/29/91/710792991.db2.gz QRARGDUHIUVZDX-GFCCVEGCSA-N 0 0 281.268 1.173 20 5 CDBDRN CO[C@@H]1C[C@H](OC(=O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000839101823 710810435 /nfs/dbraw/zinc/81/04/35/710810435.db2.gz HKWMGBUQTAJVGV-ZJUUUORDSA-N 0 0 283.284 1.148 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1N1CCO[C@]2(CCOC2)C1 ZINC000882196716 710821220 /nfs/dbraw/zinc/82/12/20/710821220.db2.gz GNMOESYVESJTJE-GFCCVEGCSA-N 0 0 283.259 1.125 20 5 CDBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](F)C2)cs1 ZINC000831796385 710824349 /nfs/dbraw/zinc/82/43/49/710824349.db2.gz OOGYWHYXKBGRTE-LURJTMIESA-N 0 0 280.302 1.389 20 5 CDBDRN CCO[C@H]1C[C@H]1C(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853892365 710826680 /nfs/dbraw/zinc/82/66/80/710826680.db2.gz SYMUSYSYNRCJOB-SFYZADRCSA-N 0 0 270.241 1.359 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000863190007 710829535 /nfs/dbraw/zinc/82/95/35/710829535.db2.gz LFFQFGNPGVRAGT-DTORHVGOSA-N 0 0 282.271 1.543 20 5 CDBDRN CC(C)(COC(=O)c1cncnc1C1CC1)[N+](=O)[O-] ZINC000851129195 710831077 /nfs/dbraw/zinc/83/10/77/710831077.db2.gz KIZJVHNRVLQRBY-UHFFFAOYSA-N 0 0 265.269 1.566 20 5 CDBDRN C[C@](O)(CNc1ccc(N)c([N+](=O)[O-])n1)c1ccco1 ZINC000853377981 710832222 /nfs/dbraw/zinc/83/22/22/710832222.db2.gz MMAPVTVFMCYKSB-LBPRGKRZSA-N 0 0 278.268 1.485 20 5 CDBDRN O=[N+]([O-])c1cc(F)ccc1CN1CCC(CO)(CO)CC1 ZINC000879972224 710851074 /nfs/dbraw/zinc/85/10/74/710851074.db2.gz LMKKAJCESQYJBR-UHFFFAOYSA-N 0 0 298.314 1.301 20 5 CDBDRN COC(=O)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000172777285 710855512 /nfs/dbraw/zinc/85/55/12/710855512.db2.gz KELQXRGHYQOLOC-UHFFFAOYSA-N 0 0 280.280 1.666 20 5 CDBDRN C[C@@H](COC(=O)c1ccc(-n2ccnc2)cc1)[N+](=O)[O-] ZINC000813102786 710857437 /nfs/dbraw/zinc/85/74/37/710857437.db2.gz VNWUYFICVURCKR-JTQLQIEISA-N 0 0 275.264 1.694 20 5 CDBDRN Cc1cc(F)cc(C(=O)OCC[C@@H](C)O)c1[N+](=O)[O-] ZINC000849740256 711374696 /nfs/dbraw/zinc/37/46/96/711374696.db2.gz KTTFKWZADDDAHF-MRVPVSSYSA-N 0 0 271.244 1.970 20 5 CDBDRN 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ZINC001325696114 954032677 /nfs/dbraw/zinc/03/26/77/954032677.db2.gz PLUSHEKFFLHZLG-VIFPVBQESA-N 0 0 252.270 1.982 20 5 CDBDRN Cn1cc([N+](=O)[O-])cc1-c1nnc(C(=O)N2CCCC2)o1 ZINC001325809591 954082057 /nfs/dbraw/zinc/08/20/57/954082057.db2.gz AAQGWKWGWRNDQT-UHFFFAOYSA-N 0 0 291.267 1.219 20 5 CDBDRN C[C@H]1Cc2n[nH]cc2CN(c2ccncc2[N+](=O)[O-])C1 ZINC001307209969 954825649 /nfs/dbraw/zinc/82/56/49/954825649.db2.gz VCYOEJXKNLYXBY-VIFPVBQESA-N 0 0 273.296 1.912 20 5 CDBDRN COc1cc(C(=O)OCC[C@@H](C)O)cc([N+](=O)[O-])c1C ZINC001327475145 954898188 /nfs/dbraw/zinc/89/81/88/954898188.db2.gz DBTLWMMVFKGXAB-MRVPVSSYSA-N 0 0 283.280 1.840 20 5 CDBDRN Cc1nc(N2C[C@@H](C)[C@@](C)(CO)C2)ncc1[N+](=O)[O-] ZINC001327709637 955009903 /nfs/dbraw/zinc/00/99/03/955009903.db2.gz XLVWQKYVQRQLGK-PRHODGIISA-N 0 0 266.301 1.148 20 5 CDBDRN Cc1c(C(=O)N2CC[C@H](F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001328152339 955204659 /nfs/dbraw/zinc/20/46/59/955204659.db2.gz WDIMZICUIZYULX-QMMMGPOBSA-N 0 0 297.242 1.995 20 5 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O=c1[nH]ccc(N2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001330668345 956553498 /nfs/dbraw/zinc/55/34/98/956553498.db2.gz ZSQRRGQDYRDRHD-GFCCVEGCSA-N 0 0 265.269 1.047 20 5 CDBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](CCO)C1CC1 ZINC001310517720 956693761 /nfs/dbraw/zinc/69/37/61/956693761.db2.gz ARUKUCQLGBEJEU-JTQLQIEISA-N 0 0 294.311 1.003 20 5 CDBDRN Nc1ccc(NC(=O)Nc2cc[nH]n2)cc1[N+](=O)[O-] ZINC001310992762 956722855 /nfs/dbraw/zinc/72/28/55/956722855.db2.gz UIMMZHXSVUXSJO-UHFFFAOYSA-N 0 0 262.229 1.544 20 5 CDBDRN CN(Cc1nccn1C)Cc1cccnc1[N+](=O)[O-] ZINC001331229537 956902574 /nfs/dbraw/zinc/90/25/74/956902574.db2.gz KSOFLEYVXOYTMH-UHFFFAOYSA-N 0 0 261.285 1.355 20 5 CDBDRN Cc1cnc(C)nc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001331303502 956955088 /nfs/dbraw/zinc/95/50/88/956955088.db2.gz PAMPJBWVTMVOPK-UHFFFAOYSA-N 0 0 266.301 1.867 20 5 CDBDRN C[C@H](NC(=O)C(=O)N1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001331948834 957355286 /nfs/dbraw/zinc/35/52/86/957355286.db2.gz IYIXATNVYWHJKB-UWVGGRQHSA-N 0 0 291.307 1.393 20 5 CDBDRN O=C(COc1cccnc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331989810 957386250 /nfs/dbraw/zinc/38/62/50/957386250.db2.gz SNMXGAWKEPKYHC-UHFFFAOYSA-N 0 0 299.286 1.911 20 5 CDBDRN CCn1ncnc1C[S@](=O)c1cccc([N+](=O)[O-])c1 ZINC001332023297 957405228 /nfs/dbraw/zinc/40/52/28/957405228.db2.gz WSUJKGTTZXUVOU-IBGZPJMESA-N 0 0 280.309 1.514 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OCCCOC(F)(F)F ZINC001332168376 957461831 /nfs/dbraw/zinc/46/18/31/957461831.db2.gz XRXXMQWKXSNBAK-UHFFFAOYSA-N 0 0 297.189 1.261 20 5 CDBDRN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC001318427899 958097976 /nfs/dbraw/zinc/09/79/76/958097976.db2.gz ZGNLMLGKYHWDEM-JTQLQIEISA-N 0 0 298.320 1.728 20 5 CDBDRN COc1ccc(S(=O)(=O)NC2(C)CC2)cc1[N+](=O)[O-] ZINC001318682223 958225597 /nfs/dbraw/zinc/22/55/97/958225597.db2.gz BJOJWZAJFYEMRL-UHFFFAOYSA-N 0 0 286.309 1.434 20 5 CDBDRN CCCc1n[nH]cc1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC001318921742 958305969 /nfs/dbraw/zinc/30/59/69/958305969.db2.gz 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ZINC000156747852 188278919 /nfs/dbraw/zinc/27/89/19/188278919.db2.gz BPUQTGLBFXFSQU-LBPRGKRZSA-N 0 0 250.254 1.504 20 5 CDBDRN CC[C@@H](O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156843276 188284324 /nfs/dbraw/zinc/28/43/24/188284324.db2.gz KENNHIZLDZMTIA-SECBINFHSA-N 0 0 288.325 1.034 20 5 CDBDRN C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000157198329 188302839 /nfs/dbraw/zinc/30/28/39/188302839.db2.gz QISFNUTXIPXWRC-ZDUSSCGKSA-N 0 0 264.281 1.433 20 5 CDBDRN CCC[C@@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC000292598152 198346553 /nfs/dbraw/zinc/34/65/53/198346553.db2.gz BVOKMONJEQYTSM-SNVBAGLBSA-N 0 0 280.328 1.954 20 5 CDBDRN CCC(CC)(CO)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000157612799 188328235 /nfs/dbraw/zinc/32/82/35/188328235.db2.gz BVDZCUKZQMJAAL-UHFFFAOYSA-N 0 0 295.339 1.904 20 5 CDBDRN COc1cc(CN(C)CCO)c([N+](=O)[O-])cc1OC ZINC000157737140 188335994 /nfs/dbraw/zinc/33/59/94/188335994.db2.gz IJQZQINPKBDLQX-UHFFFAOYSA-N 0 0 270.285 1.036 20 5 CDBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](O)C1 ZINC000158054179 188355006 /nfs/dbraw/zinc/35/50/06/188355006.db2.gz RMSYGGLNOSZMML-SNVBAGLBSA-N 0 0 294.307 1.590 20 5 CDBDRN Cc1cc(N[C@H]2CCS(=O)(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000292705006 198382416 /nfs/dbraw/zinc/38/24/16/198382416.db2.gz KGNAZEDIDPCBKJ-ONGXEEELSA-N 0 0 284.337 1.891 20 5 CDBDRN CCC(CC)[S@](=O)CCn1cc([N+](=O)[O-])cn1 ZINC000158835225 188396156 /nfs/dbraw/zinc/39/61/56/188396156.db2.gz MJPJWXDFIKHCDU-KRWDZBQOSA-N 0 0 259.331 1.729 20 5 CDBDRN C[C@H](CO)N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000158829457 188396726 /nfs/dbraw/zinc/39/67/26/188396726.db2.gz NCZUYGSHNYUWNI-ZCFIWIBFSA-N 0 0 290.117 1.569 20 5 CDBDRN Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](OCCO)C1 ZINC000265222916 363236009 /nfs/dbraw/zinc/23/60/09/363236009.db2.gz OTINMXNRAPZNRH-LBPRGKRZSA-N 0 0 280.324 1.881 20 5 CDBDRN CN(CC(=O)N1CCOCC1)c1cccc(F)c1[N+](=O)[O-] ZINC000293138908 198538564 /nfs/dbraw/zinc/53/85/64/198538564.db2.gz SGJWQOHKGGGGEA-UHFFFAOYSA-N 0 0 297.286 1.029 20 5 CDBDRN CC[C@@H](O)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268882586 366125861 /nfs/dbraw/zinc/12/58/61/366125861.db2.gz VNHBMYGEXQJMEX-GFCCVEGCSA-N 0 0 295.339 1.598 20 5 CDBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000168034701 363295692 /nfs/dbraw/zinc/29/56/92/363295692.db2.gz VIFCWQLFPAKEFZ-UWVGGRQHSA-N 0 0 294.307 1.446 20 5 CDBDRN C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000166895481 188640066 /nfs/dbraw/zinc/64/00/66/188640066.db2.gz RPKGHXJOVNZYRL-BDAKNGLRSA-N 0 0 279.296 1.426 20 5 CDBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCOC1 ZINC000171594957 188745767 /nfs/dbraw/zinc/74/57/67/188745767.db2.gz NUUXRFHLASXYCS-LLVKDONJSA-N 0 0 279.296 1.573 20 5 CDBDRN C[C@@H]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000171951745 188770817 /nfs/dbraw/zinc/77/08/17/188770817.db2.gz LVRVBJBHLANYHC-CKYFFXLPSA-N 0 0 280.328 1.732 20 5 CDBDRN CC(C)(C)C[C@@H](O)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000172309396 188795053 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C[C@H](CCO)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000097444349 356146482 /nfs/dbraw/zinc/14/64/82/356146482.db2.gz UNEYJPCJURDXRW-SECBINFHSA-N 0 0 267.285 1.735 20 5 CDBDRN CO[C@@H]1[C@H]2C[C@H]3CN(c4ccc([N+](=O)[O-])cn4)[C@H]1[C@H]3C2 ZINC000286239807 356235670 /nfs/dbraw/zinc/23/56/70/356235670.db2.gz FHBQNRODYFZGOK-WYXGGORBSA-N 0 0 275.308 1.849 20 5 CDBDRN CCN(C)C(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC000273541099 192193989 /nfs/dbraw/zinc/19/39/89/192193989.db2.gz AQJSFHZEEOICFS-UHFFFAOYSA-N 0 0 263.297 1.436 20 5 CDBDRN CC(C)c1ncc(NC(=O)c2c([N+](=O)[O-])cnn2C)cn1 ZINC000358474959 356265434 /nfs/dbraw/zinc/26/54/34/356265434.db2.gz MOMRDDMINCLCLS-UHFFFAOYSA-N 0 0 290.283 1.494 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000286367317 356269585 /nfs/dbraw/zinc/26/95/85/356269585.db2.gz LFBSVMBRIVPUCY-PSASIEDQSA-N 0 0 295.343 1.434 20 5 CDBDRN Cc1nnc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)[nH]1 ZINC000286256748 356236594 /nfs/dbraw/zinc/23/65/94/356236594.db2.gz DTJJQDJYHHZMBE-ZETCQYMHSA-N 0 0 262.273 1.898 20 5 CDBDRN Nc1ccc(NCC2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000286275871 356243068 /nfs/dbraw/zinc/24/30/68/356243068.db2.gz QXRCSSQTVZJMCC-UHFFFAOYSA-N 0 0 281.312 1.378 20 5 CDBDRN CN1CCC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1=O ZINC000359019087 356356115 /nfs/dbraw/zinc/35/61/15/356356115.db2.gz ZBINNNRZMXPAGS-ZETCQYMHSA-N 0 0 295.324 1.337 20 5 CDBDRN CN1C[C@H](Nc2cccnc2[N+](=O)[O-])CCC1=O ZINC000134713004 356383727 /nfs/dbraw/zinc/38/37/27/356383727.db2.gz CKGHIZTWVSWVIC-MRVPVSSYSA-N 0 0 250.258 1.023 20 5 CDBDRN C[C@H]1C[C@@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000273638333 192241016 /nfs/dbraw/zinc/24/10/16/192241016.db2.gz XVHUEQHYCXLLIA-QWRGUYRKSA-N 0 0 296.327 1.113 20 5 CDBDRN CCn1ccnc(Oc2ccc([N+](=O)[O-])c(OC)c2)c1=O ZINC000359874018 356429618 /nfs/dbraw/zinc/42/96/18/356429618.db2.gz JWZMBSSKTRHBIY-UHFFFAOYSA-N 0 0 291.263 1.972 20 5 CDBDRN Cc1[nH]nc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1[N+](=O)[O-] ZINC000273623743 192233979 /nfs/dbraw/zinc/23/39/79/192233979.db2.gz NYSRKPIDOJAZRE-UHFFFAOYSA-N 0 0 291.271 1.264 20 5 CDBDRN CCOc1cccc(NC[C@H]2COCCO2)c1[N+](=O)[O-] ZINC000134907902 356460139 /nfs/dbraw/zinc/46/01/39/356460139.db2.gz AKIAGZSEFCMSRQ-JTQLQIEISA-N 0 0 282.296 1.821 20 5 CDBDRN COc1cccc(N[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000134912419 356460280 /nfs/dbraw/zinc/46/02/80/356460280.db2.gz QQAJBMVJZBQHGD-LLVKDONJSA-N 0 0 295.339 1.736 20 5 CDBDRN Cc1cc([N+](=O)[O-])cnc1NCC(=O)N1CCCCC1 ZINC000134872287 356434512 /nfs/dbraw/zinc/43/45/12/356434512.db2.gz CHHHALDLCMVURF-UHFFFAOYSA-N 0 0 278.312 1.723 20 5 CDBDRN CCCNC(=O)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043148318 356469451 /nfs/dbraw/zinc/46/94/51/356469451.db2.gz YRZJYJMYHSJTNW-UHFFFAOYSA-N 0 0 294.311 1.551 20 5 CDBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@H](C)CO ZINC000293725405 198747284 /nfs/dbraw/zinc/74/72/84/198747284.db2.gz TWHJLJQILWLXAK-SECBINFHSA-N 0 0 266.297 1.746 20 5 CDBDRN CCC(=O)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000274364617 192556916 /nfs/dbraw/zinc/55/69/16/192556916.db2.gz BQYLVFRDFSRKBZ-UHFFFAOYSA-N 0 0 265.269 1.102 20 5 CDBDRN C[C@@H]1C[C@H](O)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000384963813 358509594 /nfs/dbraw/zinc/50/95/94/358509594.db2.gz TYZPQKYWMIVCQD-SVRRBLITSA-N 0 0 257.677 1.603 20 5 CDBDRN Cc1cc(N2CCC[C@@H](CO)CC2)ncc1[N+](=O)[O-] ZINC000293899800 358510489 /nfs/dbraw/zinc/51/04/89/358510489.db2.gz CKNKUEGIHWUCEC-LLVKDONJSA-N 0 0 265.313 1.897 20 5 CDBDRN O=C1NCC[C@@]12CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000578450825 356655572 /nfs/dbraw/zinc/65/55/72/356655572.db2.gz MLMLLLCUIRXLPE-AWEZNQCLSA-N 0 0 275.308 1.449 20 5 CDBDRN Cc1nc(NC(=O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000175682199 356678987 /nfs/dbraw/zinc/67/89/87/356678987.db2.gz HROQMJBLRDOCJF-UHFFFAOYSA-N 0 0 265.269 1.663 20 5 CDBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(N)=O ZINC000286517651 356807267 /nfs/dbraw/zinc/80/72/67/356807267.db2.gz QNRICJLJFZNYPO-UHFFFAOYSA-N 0 0 295.339 1.689 20 5 CDBDRN C[C@@H]1[C@H](O)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000590762206 358512387 /nfs/dbraw/zinc/51/23/87/358512387.db2.gz APACSQZMICIPRA-JMCQJSRRSA-N 0 0 272.251 1.828 20 5 CDBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H](CO)[C@H]1CCOC1 ZINC000360267925 356941199 /nfs/dbraw/zinc/94/11/99/356941199.db2.gz QZMPBLZTVYNQFP-NWDGAFQWSA-N 0 0 280.324 1.960 20 5 CDBDRN CO[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000076248853 356955028 /nfs/dbraw/zinc/95/50/28/356955028.db2.gz RNXYGAMPGMHXGH-SNVBAGLBSA-N 0 0 279.296 1.428 20 5 CDBDRN CC[C@H](CCO)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379705809 357216288 /nfs/dbraw/zinc/21/62/88/357216288.db2.gz PDPZMWIFIQWRQT-QDZRJHCZSA-N 0 0 278.308 1.885 20 5 CDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cncnc1 ZINC000341304808 357223344 /nfs/dbraw/zinc/22/33/44/357223344.db2.gz QOUKLNPAAHXIBI-UHFFFAOYSA-N 0 0 258.237 1.566 20 5 CDBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)C[C@@H](C)O)c1 ZINC000341342294 357230181 /nfs/dbraw/zinc/23/01/81/357230181.db2.gz DKNNJXWNVUIZKF-SNVBAGLBSA-N 0 0 296.323 1.836 20 5 CDBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)C(F)(F)F)c2nonc21 ZINC000221408310 357234394 /nfs/dbraw/zinc/23/43/94/357234394.db2.gz LORBGUBIRKUINF-ZCFIWIBFSA-N 0 0 292.173 1.466 20 5 CDBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cncc(F)c1 ZINC000341354805 357235195 /nfs/dbraw/zinc/23/51/95/357235195.db2.gz LRSFDMFYZFPCLW-UHFFFAOYSA-N 0 0 283.646 1.992 20 5 CDBDRN CC(=O)c1cc(NCC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000341362063 357237480 /nfs/dbraw/zinc/23/74/80/357237480.db2.gz OKWDBQBEAUMCNQ-UHFFFAOYSA-N 0 0 291.307 1.832 20 5 CDBDRN CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000048430787 357184207 /nfs/dbraw/zinc/18/42/07/357184207.db2.gz ORTKIDKHTRICIU-UHFFFAOYSA-N 0 0 290.222 1.955 20 5 CDBDRN CON(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000048442992 357185172 /nfs/dbraw/zinc/18/51/72/357185172.db2.gz VLUCSSUQQCQTJP-UHFFFAOYSA-N 0 0 256.283 1.950 20 5 CDBDRN CC[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000181067421 357309339 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CDBDRN Cc1noc(COC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000023373929 617189020 /nfs/dbraw/zinc/18/90/20/617189020.db2.gz ZFZNLLMVKPXFBY-UHFFFAOYSA-N 0 0 277.236 1.572 20 5 CDBDRN Cc1noc(COC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000023373378 617189115 /nfs/dbraw/zinc/18/91/15/617189115.db2.gz IQEBDMRQJGLOGF-UHFFFAOYSA-N 0 0 263.209 1.643 20 5 CDBDRN CS[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826225778 607733637 /nfs/dbraw/zinc/73/36/37/607733637.db2.gz KVKXYETXADNFKL-ZETCQYMHSA-N 0 0 294.340 1.938 20 5 CDBDRN O=C([O-])[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351113 605189377 /nfs/dbraw/zinc/18/93/77/605189377.db2.gz QGMMTDHDSPNNJA-NEPJUHHUSA-N 0 0 280.280 1.177 20 5 CDBDRN C[C@H]1C[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820667667 607168311 /nfs/dbraw/zinc/16/83/11/607168311.db2.gz NKWVMFKDJREDPL-BQBZGAKWSA-N 0 0 275.272 1.238 20 5 CDBDRN O=[N+]([O-])c1ccnn1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826500686 608397913 /nfs/dbraw/zinc/39/79/13/608397913.db2.gz 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Cc1nc(C)n(C2CN(c3ncc([N+](=O)[O-])cc3F)C2)n1 ZINC000893684778 617837698 /nfs/dbraw/zinc/83/76/98/617837698.db2.gz RYUVNUFDWGQTRI-UHFFFAOYSA-N 0 0 292.274 1.399 20 5 CDBDRN CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000889344800 617857941 /nfs/dbraw/zinc/85/79/41/617857941.db2.gz CZDRKJOIROUSQP-QWHCGFSZSA-N 0 0 278.308 1.773 20 5 CDBDRN O=C1CCCN1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000893450130 617906895 /nfs/dbraw/zinc/90/68/95/617906895.db2.gz RCJVRHQRQFSAEX-VIFPVBQESA-N 0 0 294.286 1.330 20 5 CDBDRN COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CCO)C1 ZINC000892338022 617911956 /nfs/dbraw/zinc/91/19/56/617911956.db2.gz KMWUDEHHYCFABF-JTQLQIEISA-N 0 0 281.312 1.597 20 5 CDBDRN Cn1ncc([N+](=O)[O-])c1N1CC[C@H](C2CCOCC2)C1 ZINC000892982389 618018155 /nfs/dbraw/zinc/01/81/55/618018155.db2.gz ZLUVNLSQRPYDCY-NSHDSACASA-N 0 0 280.328 1.581 20 5 CDBDRN CCNC(=O)CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000784854591 618050892 /nfs/dbraw/zinc/05/08/92/618050892.db2.gz 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O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882703494 712061153 /nfs/dbraw/zinc/06/11/53/712061153.db2.gz CVBGIAJWYSWYOA-YVECIDJPSA-N 0 0 278.283 1.793 20 5 CDBDRN O=[N+]([O-])c1ccc(Cl)cc1NCc1nc[nH]n1 ZINC000124750622 712075062 /nfs/dbraw/zinc/07/50/62/712075062.db2.gz WAAUECOKAWKANH-UHFFFAOYSA-N 0 0 253.649 1.978 20 5 CDBDRN CNC(=O)[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881963841 712093412 /nfs/dbraw/zinc/09/34/12/712093412.db2.gz GOWLEBKPNXXDJI-MRVPVSSYSA-N 0 0 282.275 1.091 20 5 CDBDRN C[C@@H](CC(=O)OCCC[N+](=O)[O-])c1cnn(C)c1 ZINC000860919141 712094630 /nfs/dbraw/zinc/09/46/30/712094630.db2.gz JKBTWIBAOLQQCB-VIFPVBQESA-N 0 0 255.274 1.124 20 5 CDBDRN O=C1CC[C@H](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)O1 ZINC000849894895 712103342 /nfs/dbraw/zinc/10/33/42/712103342.db2.gz ITPSYQJJKZJSFN-SSDOTTSWSA-N 0 0 278.220 1.208 20 5 CDBDRN Cc1c[nH]c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC000135698137 712123809 /nfs/dbraw/zinc/12/38/09/712123809.db2.gz NJYBYZHLIJYLJL-UHFFFAOYSA-N 0 0 275.268 1.769 20 5 CDBDRN O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CC1(Cl)Cl ZINC000130842515 712152037 /nfs/dbraw/zinc/15/20/37/712152037.db2.gz COVMLWUMNBFELB-LURJTMIESA-N 0 0 294.094 1.528 20 5 CDBDRN CO[C@H]1COCC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000882940708 712156298 /nfs/dbraw/zinc/15/62/98/712156298.db2.gz XVGKLPAUQQTVKP-KWQFWETISA-N 0 0 299.302 1.556 20 5 CDBDRN C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[C@@H]1O ZINC000867542776 712171167 /nfs/dbraw/zinc/17/11/67/712171167.db2.gz HWQVTLSDVSWJHI-SKDRFNHKSA-N 0 0 296.298 1.506 20 5 CDBDRN C[C@@H](CCCO)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868641380 712184534 /nfs/dbraw/zinc/18/45/34/712184534.db2.gz JMJJSPCVQIPRNY-JTQLQIEISA-N 0 0 298.314 1.801 20 5 CDBDRN C[C@H](O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801948199 712194877 /nfs/dbraw/zinc/19/48/77/712194877.db2.gz SDNHEXFXJZTKPC-JGVFFNPUSA-N 0 0 297.286 1.159 20 5 CDBDRN Cc1cc(C(=O)N2C[C@@H]3C[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000783792626 712197342 /nfs/dbraw/zinc/19/73/42/712197342.db2.gz ZQRGDNRYEHLLIB-SMDDNHRTSA-N 0 0 276.292 1.358 20 5 CDBDRN CC(C)(C)OCCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838287672 712202476 /nfs/dbraw/zinc/20/24/76/712202476.db2.gz ZXNBYXQUHCPEBJ-LBPRGKRZSA-N 0 0 297.307 1.987 20 5 CDBDRN O=[N+]([O-])c1ccccc1N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000884623778 712204436 /nfs/dbraw/zinc/20/44/36/712204436.db2.gz OFWGTUHOUIKLQJ-YSCVYTRNSA-N 0 0 266.297 1.671 20 5 CDBDRN CC(C)(CCC(=O)OCC(=O)C1(C)CC1)[N+](=O)[O-] ZINC000837925707 712211513 /nfs/dbraw/zinc/21/15/13/712211513.db2.gz SVKNOWJPNLGZBB-UHFFFAOYSA-N 0 0 257.286 1.734 20 5 CDBDRN Nc1c(C(=O)N[C@H]2CC23CCC3)cccc1[N+](=O)[O-] ZINC000721254001 712217347 /nfs/dbraw/zinc/21/73/47/712217347.db2.gz DAWBPAQBWZFVJH-JTQLQIEISA-N 0 0 261.281 1.849 20 5 CDBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H](C2OCCO2)C1 ZINC000719050940 712250294 /nfs/dbraw/zinc/25/02/94/712250294.db2.gz OCXBKSLYAITGHE-SNVBAGLBSA-N 0 0 264.281 1.794 20 5 CDBDRN O=C(OCC1CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838287006 712261587 /nfs/dbraw/zinc/26/15/87/712261587.db2.gz VIUOXMBNHVWQMY-LLVKDONJSA-N 0 0 251.238 1.581 20 5 CDBDRN Cn1c(C(=O)N2CCC(C(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000827820161 712263353 /nfs/dbraw/zinc/26/33/53/712263353.db2.gz SHVDPKPYPAGCNY-UHFFFAOYSA-N 0 0 295.339 1.556 20 5 CDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000839777727 712272025 /nfs/dbraw/zinc/27/20/25/712272025.db2.gz RPPQZWUKHWESCD-DDHJBXDOSA-N 0 0 280.324 1.212 20 5 CDBDRN O=C1OCCN1[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000853806833 712301961 /nfs/dbraw/zinc/30/19/61/712301961.db2.gz NVMNKINHSMMMIO-VIFPVBQESA-N 0 0 278.268 1.021 20 5 CDBDRN CO[C@@H](C)CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843864929 712302211 /nfs/dbraw/zinc/30/22/11/712302211.db2.gz OFGFLZBAWFJZGX-ZETCQYMHSA-N 0 0 270.260 1.807 20 5 CDBDRN CO[C@@H]1COCC[C@@H]1N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000882941738 712307130 /nfs/dbraw/zinc/30/71/30/712307130.db2.gz 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ZINC000858097724 712373926 /nfs/dbraw/zinc/37/39/26/712373926.db2.gz XFWCRNXOCSSUJT-NSHDSACASA-N 0 0 265.269 1.304 20 5 CDBDRN CCc1ccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)s1 ZINC000176688507 712394816 /nfs/dbraw/zinc/39/48/16/712394816.db2.gz UDZIRAJAZZRPMQ-UHFFFAOYSA-N 0 0 296.308 1.667 20 5 CDBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000935188897 712395437 /nfs/dbraw/zinc/39/54/37/712395437.db2.gz HUXFZSNPEFBPAB-PCDDKUFXSA-N 0 0 290.319 1.538 20 5 CDBDRN O=C(N[C@H](CO)CCF)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824046307 712396835 /nfs/dbraw/zinc/39/68/35/712396835.db2.gz LCDWOTIKSSNUQX-DRZSPHRISA-N 0 0 296.298 1.535 20 5 CDBDRN O=[N+]([O-])c1ccc(N2C[C@H]3C[C@@]3(O)C2)c(OC(F)F)c1 ZINC000882934845 712405351 /nfs/dbraw/zinc/40/53/51/712405351.db2.gz VPQLBIQZXFZXDG-JMCQJSRRSA-N 0 0 286.234 1.767 20 5 CDBDRN COc1cc(C(=O)Nc2nonc2C)ccc1[N+](=O)[O-] ZINC000170799551 712406883 /nfs/dbraw/zinc/40/68/83/712406883.db2.gz ADKDBVCZOCETLI-UHFFFAOYSA-N 0 0 278.224 1.547 20 5 CDBDRN O=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839471414 712409090 /nfs/dbraw/zinc/40/90/90/712409090.db2.gz NHLWMUOYANMDFQ-YUSALJHKSA-N 0 0 276.292 1.019 20 5 CDBDRN O=C1NCC[C@@H]2CCCN(Cc3cccnc3[N+](=O)[O-])[C@@H]12 ZINC000886319346 712410343 /nfs/dbraw/zinc/41/03/43/712410343.db2.gz BNGJAYOEEZGQRZ-CMPLNLGQSA-N 0 0 290.323 1.090 20 5 CDBDRN C[C@@H]1OCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776587127 712415572 /nfs/dbraw/zinc/41/55/72/712415572.db2.gz UKFLMKIXPGBUSK-MJVIPROJSA-N 0 0 280.324 1.737 20 5 CDBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1COC(=O)C1 ZINC000843966904 712416995 /nfs/dbraw/zinc/41/69/95/712416995.db2.gz NIGNXYAROHRNCH-QMMMGPOBSA-N 0 0 293.279 1.528 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC(OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000780598358 712418302 /nfs/dbraw/zinc/41/83/02/712418302.db2.gz DPLRAENUJYDMGL-UHFFFAOYSA-N 0 0 289.194 1.931 20 5 CDBDRN COC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935170973 712418323 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C[C@H]1OCC[C@H]1Cn1cc([N+](=O)[O-])nc1Br ZINC000865372846 712445991 /nfs/dbraw/zinc/44/59/91/712445991.db2.gz XVXUYZNWLSGKPS-RQJHMYQMSA-N 0 0 290.117 1.979 20 5 CDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N(C)C ZINC000830360465 712447359 /nfs/dbraw/zinc/44/73/59/712447359.db2.gz JEDMYRYPQMGPIP-QMMMGPOBSA-N 0 0 298.270 1.676 20 5 CDBDRN Cc1c(CC(=O)OCc2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000776384799 712450422 /nfs/dbraw/zinc/45/04/22/712450422.db2.gz AXLIJGNISDSOPX-UHFFFAOYSA-N 0 0 290.279 1.318 20 5 CDBDRN CCO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000701744027 712451407 /nfs/dbraw/zinc/45/14/07/712451407.db2.gz OJRMDQRLJSZPST-VIFPVBQESA-N 0 0 279.296 1.428 20 5 CDBDRN CON(CC1CCOCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000801598394 712454994 /nfs/dbraw/zinc/45/49/94/712454994.db2.gz ZAVXLARBVCQSCP-UHFFFAOYSA-N 0 0 297.311 1.364 20 5 CDBDRN CCOC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000111951152 712456713 /nfs/dbraw/zinc/45/67/13/712456713.db2.gz CRJYYZXYKXHWFO-UHFFFAOYSA-N 0 0 267.237 1.623 20 5 CDBDRN C[C@H](COC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000817753801 712471743 /nfs/dbraw/zinc/47/17/43/712471743.db2.gz ZEFPSKRPHLXHKO-SECBINFHSA-N 0 0 267.285 1.771 20 5 CDBDRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)OCCC[N+](=O)[O-] ZINC000860916235 712479815 /nfs/dbraw/zinc/47/98/15/712479815.db2.gz OZFMCDWWOOEMEG-MNOVXSKESA-N 0 0 275.301 1.171 20 5 CDBDRN CN(CC(F)F)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000103436677 712480248 /nfs/dbraw/zinc/48/02/48/712480248.db2.gz VVPPWIODJSFRMC-UHFFFAOYSA-N 0 0 259.212 1.514 20 5 CDBDRN CO[C@@H]1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827822029 712481707 /nfs/dbraw/zinc/48/17/07/712481707.db2.gz ZQIGQZHBWATWBA-GHMZBOCLSA-N 0 0 272.345 1.753 20 5 CDBDRN C[C@]1(O)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000176063459 712497375 /nfs/dbraw/zinc/49/73/75/712497375.db2.gz HZFQJRLQZNDMCA-LBPRGKRZSA-N 0 0 284.699 1.845 20 5 CDBDRN C[C@H]1CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000881480449 712505101 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CDBDRN CC(=O)c1c([N+](=O)[O-])cccc1N1CCn2ncnc2C1 ZINC000882199950 712678526 /nfs/dbraw/zinc/67/85/26/712678526.db2.gz UYKRWGAGILYNFD-UHFFFAOYSA-N 0 0 287.279 1.409 20 5 CDBDRN O=C(OCCC1CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838283041 712679655 /nfs/dbraw/zinc/67/96/55/712679655.db2.gz FGTYEBNFOPQTBP-GFCCVEGCSA-N 0 0 265.265 1.972 20 5 CDBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC23CCC3)cc1 ZINC000872652126 712681695 /nfs/dbraw/zinc/68/16/95/712681695.db2.gz ITPCDIVBIXYMIT-NSHDSACASA-N 0 0 282.321 1.816 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCOCC[C@@H]1C ZINC000808012283 712683559 /nfs/dbraw/zinc/68/35/59/712683559.db2.gz JCFYSDKUCHLAEE-VIFPVBQESA-N 0 0 268.317 1.735 20 5 CDBDRN C[C@@H](NC(=O)CCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000928248323 712696501 /nfs/dbraw/zinc/69/65/01/712696501.db2.gz KJJHIMXIZDUFPE-SNVBAGLBSA-N 0 0 266.297 1.935 20 5 CDBDRN COC(=O)C1=CC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882652072 712697106 /nfs/dbraw/zinc/69/71/06/712697106.db2.gz 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/nfs/dbraw/zinc/71/53/88/712715388.db2.gz NKTDCBWRVCSZHX-DTWKUNHWSA-N 0 0 257.286 1.590 20 5 CDBDRN C[C@H](C[N+](=O)[O-])OC(=O)Cc1ccc2c(c1)CCCO2 ZINC000842807597 712726838 /nfs/dbraw/zinc/72/68/38/712726838.db2.gz WIVCPMCXHYJYMB-SNVBAGLBSA-N 0 0 279.292 1.763 20 5 CDBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[C@H](O)C1 ZINC000236557918 712735362 /nfs/dbraw/zinc/73/53/62/712735362.db2.gz JLROWCCHANUDDZ-LURJTMIESA-N 0 0 260.652 1.958 20 5 CDBDRN CCc1ccnc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)c1 ZINC000842503014 712738513 /nfs/dbraw/zinc/73/85/13/712738513.db2.gz IQYNYGGVRLGCTI-PSASIEDQSA-N 0 0 260.253 1.827 20 5 CDBDRN C[C@@H]1C[C@H](C)[C@H](C(=O)OCc2cccnc2[N+](=O)[O-])O1 ZINC000884493168 712755792 /nfs/dbraw/zinc/75/57/92/712755792.db2.gz NJGINYBZCGOTTG-IQJOONFLSA-N 0 0 280.280 1.847 20 5 CDBDRN COc1cc(NC[C@@H]2COCCO2)c([N+](=O)[O-])cc1C ZINC000312645269 712760773 /nfs/dbraw/zinc/76/07/73/712760773.db2.gz JZUDVUYILREEQA-SNVBAGLBSA-N 0 0 282.296 1.739 20 5 CDBDRN Cn1c(C(=O)OCCc2ccoc2)ccc1[N+](=O)[O-] ZINC000777381766 712764110 /nfs/dbraw/zinc/76/41/10/712764110.db2.gz UGAJIJMMESYRHY-UHFFFAOYSA-N 0 0 264.237 1.926 20 5 CDBDRN CC(C)(Cn1cc(CCCCCCO)nn1)[N+](=O)[O-] ZINC000864642354 712769249 /nfs/dbraw/zinc/76/92/49/712769249.db2.gz MDLXXQQWVXOYMP-UHFFFAOYSA-N 0 0 270.333 1.429 20 5 CDBDRN C[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)n1cccn1 ZINC000812811482 712769604 /nfs/dbraw/zinc/76/96/04/712769604.db2.gz ALKZGQRKJJVKAU-VIFPVBQESA-N 0 0 279.300 1.863 20 5 CDBDRN C[C@H](OC(=O)c1nonc1N)c1ccccc1[N+](=O)[O-] ZINC000783201211 712771154 /nfs/dbraw/zinc/77/11/54/712771154.db2.gz ZSVBWAIXTSJCSH-LURJTMIESA-N 0 0 278.224 1.478 20 5 CDBDRN CSCC[C@@H](C)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000134371940 712772491 /nfs/dbraw/zinc/77/24/91/712772491.db2.gz DHIHLHWAYGNYON-SECBINFHSA-N 0 0 286.357 1.391 20 5 CDBDRN CCOc1cc(Cn2nnnc2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000842047306 712773467 /nfs/dbraw/zinc/77/34/67/712773467.db2.gz OODWNEPSHIIMKR-MRVPVSSYSA-N 0 0 293.283 1.082 20 5 CDBDRN CC[C@H](O)CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000813631062 712781333 /nfs/dbraw/zinc/78/13/33/712781333.db2.gz OGZSYTKACMAICQ-JTQLQIEISA-N 0 0 252.270 1.980 20 5 CDBDRN O=[N+]([O-])c1cn(C[C@H](O)c2ccccn2)nc1C1CC1 ZINC000853063978 712783609 /nfs/dbraw/zinc/78/36/09/712783609.db2.gz OGDRIJOMZJCRBB-LBPRGKRZSA-N 0 0 274.280 1.797 20 5 CDBDRN CN(Cc1ncc[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000851873634 712797192 /nfs/dbraw/zinc/79/71/92/712797192.db2.gz HEHHDOPQAZQYBK-GFCCVEGCSA-N 0 0 276.296 1.483 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(NCC(=O)N(C)OC)c1 ZINC000817124773 1164178400 /nfs/dbraw/zinc/17/84/00/1164178400.db2.gz HZHHWHVDPJOSPV-UHFFFAOYSA-N 0 0 269.257 1.035 20 5 CDBDRN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001607987648 1164363406 /nfs/dbraw/zinc/36/34/06/1164363406.db2.gz NSYPFJIUGFSOGF-MWLCHTKSSA-N 0 0 296.327 1.142 20 5 CDBDRN Cc1nn(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c(C)c1[N+](=O)[O-] ZINC001608011589 1164374919 /nfs/dbraw/zinc/37/49/19/1164374919.db2.gz OJCUYEBGHOLPDY-SCZZXKLOSA-N 0 0 282.300 1.161 20 5 CDBDRN Cc1cc(S(=O)(=O)N(C)CCCF)c([N+](=O)[O-])s1 ZINC000885849561 1164528958 /nfs/dbraw/zinc/52/89/58/1164528958.db2.gz IKEUWJNNBVAVRK-UHFFFAOYSA-N 0 0 296.345 1.945 20 5 CDBDRN COC1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864661690 1164570405 /nfs/dbraw/zinc/57/04/05/1164570405.db2.gz OLNUDQPRTXVYHV-UHFFFAOYSA-N 0 0 296.298 1.914 20 5 CDBDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC1CC1 ZINC000864697794 1164573654 /nfs/dbraw/zinc/57/36/54/1164573654.db2.gz PHZOTFICIPHHHS-UHFFFAOYSA-N 0 0 252.245 1.803 20 5 CDBDRN Cc1noc(CCC(=O)OCc2cccc([N+](=O)[O-])c2)n1 ZINC000121189274 1164810035 /nfs/dbraw/zinc/81/00/35/1164810035.db2.gz RXTAMFDFVLXZCE-UHFFFAOYSA-N 0 0 291.263 1.962 20 5 CDBDRN CC[C@H](C)CN(C)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609184760 1164826764 /nfs/dbraw/zinc/82/67/64/1164826764.db2.gz NZYKWYGTYUPFTR-QMMMGPOBSA-N 0 0 291.315 1.652 20 5 CDBDRN C[C@@H]1OCC[C@@H]1COc1ccc(N)c([N+](=O)[O-])c1 ZINC000871730679 1165335328 /nfs/dbraw/zinc/33/53/28/1165335328.db2.gz IEEFZWKQSVPDJB-DTWKUNHWSA-N 0 0 252.270 1.981 20 5 CDBDRN O=C([O-])C[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCOC1 ZINC001610759469 1165431814 /nfs/dbraw/zinc/43/18/14/1165431814.db2.gz RLHQEFSJAPQTNS-AWEZNQCLSA-N 0 0 294.307 1.708 20 5 CDBDRN CC[C@@H]1COCCN1CCNc1ncc([N+](=O)[O-])cc1C ZINC000872771080 1165476435 /nfs/dbraw/zinc/47/64/35/1165476435.db2.gz FFMMTXRXQXLPBM-GFCCVEGCSA-N 0 0 294.355 1.821 20 5 CDBDRN O=C(N[C@H]1CC12CCC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874776626 1165666633 /nfs/dbraw/zinc/66/66/33/1165666633.db2.gz DVPCMSHPJRZNPC-RYUDHWBXSA-N 0 0 276.292 1.687 20 5 CDBDRN O=[N+]([O-])c1ccc(CN2CCC(CO)(CO)CC2)c(F)c1 ZINC000877798319 1166103501 /nfs/dbraw/zinc/10/35/01/1166103501.db2.gz MVEJIFTZEMWVKP-UHFFFAOYSA-N 0 0 298.314 1.301 20 5 CDBDRN CS[C@H]1CC[C@@H](N(C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254801 1167420367 /nfs/dbraw/zinc/42/03/67/1167420367.db2.gz GBIWYIHMJSIIQC-ZJUUUORDSA-N 0 0 270.358 1.965 20 5 CDBDRN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(F)(F)CC1 ZINC001339467436 1167484390 /nfs/dbraw/zinc/48/43/90/1167484390.db2.gz OMNGMAOWTQQIME-QMMMGPOBSA-N 0 0 289.286 1.871 20 5 CDBDRN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001173231217 912326734 /nfs/dbraw/zinc/32/67/34/912326734.db2.gz KLHZFQIAXVXURQ-ICCXJUOJSA-N 0 0 276.292 1.526 20 5 CDBDRN C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1c[nH]c(=O)nc1N ZINC001173211576 912337164 /nfs/dbraw/zinc/33/71/64/912337164.db2.gz SXTHWIRVUKJWFK-MRVPVSSYSA-N 0 0 289.295 1.716 20 5 CDBDRN CO[C@H](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172425452 912341499 /nfs/dbraw/zinc/34/14/99/912341499.db2.gz WKPGDMWYWGXXSV-SECBINFHSA-N 0 0 264.281 1.909 20 5 CDBDRN CC[C@H](O[C@@H](C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC001206197516 912428591 /nfs/dbraw/zinc/42/85/91/912428591.db2.gz BLDYFYYBHNYAOI-KWQFWETISA-N 0 0 252.270 1.936 20 5 CDBDRN CC1(C)C[C@H](CNc2nccc(N)c2[N+](=O)[O-])O1 ZINC001168452771 913427647 /nfs/dbraw/zinc/42/76/47/913427647.db2.gz LZNPOVSUNVDQNC-SSDOTTSWSA-N 0 0 252.274 1.551 20 5 CDBDRN Cn1ncc(Nc2cc([N+](=O)[O-])ccc2F)c1C(N)=O ZINC001175735223 913756414 /nfs/dbraw/zinc/75/64/14/913756414.db2.gz ACRGBZOVTQMNIU-UHFFFAOYSA-N 0 0 279.231 1.310 20 5 CDBDRN Cc1nc(N2CCO[C@H](C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC001167083505 894310696 /nfs/dbraw/zinc/31/06/96/894310696.db2.gz CLXZJEFSMXYPFA-QMMMGPOBSA-N 0 0 292.217 1.461 20 5 CDBDRN CCN(CC(C)(C)O)c1ncc([N+](=O)[O-])cc1C(=O)OC ZINC001167156395 894763072 /nfs/dbraw/zinc/76/30/72/894763072.db2.gz CVQGCDXBUGIIKS-UHFFFAOYSA-N 0 0 297.311 1.374 20 5 CDBDRN O=C(OCCC[N+](=O)[O-])c1cnc([C@@H]2CCCO2)s1 ZINC000860916941 894851389 /nfs/dbraw/zinc/85/13/89/894851389.db2.gz CJGMKBQWHKIOAU-QMMMGPOBSA-N 0 0 286.309 1.818 20 5 CDBDRN COCCN(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050037774 895449389 /nfs/dbraw/zinc/44/93/89/895449389.db2.gz QJKCHUXJCBZHCN-UHFFFAOYSA-N 0 0 274.223 1.591 20 5 CDBDRN 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CCN(CCO)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000097179108 185556930 /nfs/dbraw/zinc/55/69/30/185556930.db2.gz YUXJMFFTXRGCQE-UHFFFAOYSA-N 0 0 297.267 1.266 20 5 CDBDRN COC[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000265775692 362602556 /nfs/dbraw/zinc/60/25/56/362602556.db2.gz DWXIRBWJBCXZHC-JTQLQIEISA-N 0 0 251.286 1.771 20 5 CDBDRN O=[N+]([O-])c1ccc2ncnc(N3CCS(=O)CC3)c2c1 ZINC000609849780 346006657 /nfs/dbraw/zinc/00/66/57/346006657.db2.gz IQCCFCKATAHQKE-UHFFFAOYSA-N 0 0 292.320 1.107 20 5 CDBDRN Cn1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000609973297 346052047 /nfs/dbraw/zinc/05/20/47/346052047.db2.gz BQVQHLZKKMDUEQ-UHFFFAOYSA-N 0 0 272.264 1.531 20 5 CDBDRN O=[N+]([O-])c1sccc1NC[C@@H](O)C1CCOCC1 ZINC000609914632 346039660 /nfs/dbraw/zinc/03/96/60/346039660.db2.gz RFDGNPXYRIGHOT-SNVBAGLBSA-N 0 0 272.326 1.856 20 5 CDBDRN Cc1cccc(C(=O)NCCCCC(N)=O)c1[N+](=O)[O-] ZINC000539017359 282442857 /nfs/dbraw/zinc/44/28/57/282442857.db2.gz GPZDZWJGLWWLNQ-UHFFFAOYSA-N 0 0 279.296 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0 0 288.263 1.063 20 5 CDBDRN C[C@@H]1C(=O)NCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189097347 140108213 /nfs/dbraw/zinc/10/82/13/140108213.db2.gz BHEYSNLFJBYYIO-SECBINFHSA-N 0 0 297.742 1.959 20 5 CDBDRN C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189322829 140111991 /nfs/dbraw/zinc/11/19/91/140111991.db2.gz JNQBFZBQDOEJHU-ZJUUUORDSA-N 0 0 299.352 1.014 20 5 CDBDRN COc1cccc(C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000195309933 140152528 /nfs/dbraw/zinc/15/25/28/140152528.db2.gz QPYZWYNFHBQVHQ-UHFFFAOYSA-N 0 0 266.253 1.076 20 5 CDBDRN Cc1nn(CCCN2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000195333422 140153526 /nfs/dbraw/zinc/15/35/26/140153526.db2.gz NUYWZMFPNLGQQP-UHFFFAOYSA-N 0 0 268.317 1.130 20 5 CDBDRN CO[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000227820113 140187245 /nfs/dbraw/zinc/18/72/45/140187245.db2.gz PGIMOHZIQYIJKW-VXGBXAGGSA-N 0 0 293.323 1.919 20 5 CDBDRN C[C@@H](O)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000228194109 140192261 /nfs/dbraw/zinc/19/22/61/140192261.db2.gz AQVNWBSYWGGRFF-HTQZYQBOSA-N 0 0 270.260 1.623 20 5 CDBDRN CN(CC1CCOCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230721231 140213164 /nfs/dbraw/zinc/21/31/64/140213164.db2.gz BVVJHGUWUAGRAF-UHFFFAOYSA-N 0 0 294.311 1.071 20 5 CDBDRN CCN(CC1CCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000233453102 140226603 /nfs/dbraw/zinc/22/66/03/140226603.db2.gz GYBGTUGHSHIMSN-UHFFFAOYSA-N 0 0 278.312 1.834 20 5 CDBDRN CNc1c(C(=O)N2CC[C@@H](OC)C2)cccc1[N+](=O)[O-] ZINC000234552366 140229528 /nfs/dbraw/zinc/22/95/28/140229528.db2.gz JELSABFVXRWORL-SECBINFHSA-N 0 0 279.296 1.497 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000252843276 140326615 /nfs/dbraw/zinc/32/66/15/140326615.db2.gz BFRMETCDGKBPSN-NURSFMCSSA-N 0 0 278.308 1.811 20 5 CDBDRN O=c1ccc([N+](=O)[O-])cn1C[C@H](O)COc1ccccc1 ZINC000305040561 140536204 /nfs/dbraw/zinc/53/62/04/140536204.db2.gz CPKLATDUQWHQPB-LBPRGKRZSA-N 0 0 290.275 1.196 20 5 CDBDRN O=[N+]([O-])c1cnc(N2CC([C@@H]3CCOC3)C2)s1 ZINC000368523520 296519368 /nfs/dbraw/zinc/51/93/68/296519368.db2.gz UXIOOYVSERGHRF-SSDOTTSWSA-N 0 0 255.299 1.524 20 5 CDBDRN CC(=O)N1CC[C@@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000152549655 289137862 /nfs/dbraw/zinc/13/78/62/289137862.db2.gz QQRSWXJFAFOYJT-LLVKDONJSA-N 0 0 263.297 1.936 20 5 CDBDRN O=[N+]([O-])c1nccn1C[C@@H](O)COc1ccccc1 ZINC000197046854 397825344 /nfs/dbraw/zinc/82/53/44/397825344.db2.gz HKGWMJYYTLOPLZ-SNVBAGLBSA-N 0 0 263.253 1.231 20 5 CDBDRN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1nncn1C ZINC000286932890 397994400 /nfs/dbraw/zinc/99/44/00/397994400.db2.gz LHUMALSVURCAMO-UHFFFAOYSA-N 0 0 275.312 1.398 20 5 CDBDRN O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@H](O)CO ZINC000394129626 397975413 /nfs/dbraw/zinc/97/54/13/397975413.db2.gz KSZDZTRXNISPFF-ZETCQYMHSA-N 0 0 262.212 1.298 20 5 CDBDRN CC[C@@H](O)CCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000352368532 155138366 /nfs/dbraw/zinc/13/83/66/155138366.db2.gz UWWYDZTWRBWOAD-LLVKDONJSA-N 0 0 296.323 1.884 20 5 CDBDRN Cc1cnc(OCC(=O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000092265649 147005678 /nfs/dbraw/zinc/00/56/78/147005678.db2.gz AGJLMKNNTUQUKM-UHFFFAOYSA-N 0 0 280.280 1.673 20 5 CDBDRN Cc1ccc(CN2C[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093641809 147058146 /nfs/dbraw/zinc/05/81/46/147058146.db2.gz YAWIKMNGZQYAJO-HUUCEWRRSA-N 0 0 291.351 1.418 20 5 CDBDRN Cc1nn(CCC(=O)Nc2ccnn2C)c(C)c1[N+](=O)[O-] ZINC000102249851 147149158 /nfs/dbraw/zinc/14/91/58/147149158.db2.gz SMZBSCLBXJJXSA-UHFFFAOYSA-N 0 0 292.299 1.170 20 5 CDBDRN COc1cc(NCCC[S@](C)=O)c(F)cc1[N+](=O)[O-] ZINC000119771203 147327545 /nfs/dbraw/zinc/32/75/45/147327545.db2.gz DOUNSSUTCIYKKF-LJQANCHMSA-N 0 0 290.316 1.923 20 5 CDBDRN CC(C)OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000121968559 147389817 /nfs/dbraw/zinc/38/98/17/147389817.db2.gz MRDHAJHKGCKTOX-SECBINFHSA-N 0 0 280.280 1.665 20 5 CDBDRN Cn1nccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000121963134 147389855 /nfs/dbraw/zinc/38/98/55/147389855.db2.gz 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/nfs/dbraw/zinc/35/13/63/148351363.db2.gz HBWXDPCBOYGICG-UHFFFAOYSA-N 0 0 296.327 1.461 20 5 CDBDRN COCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191353901 148501435 /nfs/dbraw/zinc/50/14/35/148501435.db2.gz OOVKKNVQUJNARO-UHFFFAOYSA-N 0 0 267.285 1.980 20 5 CDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCO2)n1 ZINC000191796383 148546592 /nfs/dbraw/zinc/54/65/92/148546592.db2.gz HUAZAPVMUJHGMT-SECBINFHSA-N 0 0 282.300 1.062 20 5 CDBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCC1CCOCC1 ZINC000194982416 148677966 /nfs/dbraw/zinc/67/79/66/148677966.db2.gz IIMYAVKAAGZWGV-UHFFFAOYSA-N 0 0 293.323 1.550 20 5 CDBDRN Cc1cc(N2CCC[C@@H]2CCO)ncc1[N+](=O)[O-] ZINC000310759643 149200824 /nfs/dbraw/zinc/20/08/24/149200824.db2.gz YEGUCRZTILJXRX-SNVBAGLBSA-N 0 0 251.286 1.649 20 5 CDBDRN C[C@@H](O)C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000311385334 149211106 /nfs/dbraw/zinc/21/11/06/149211106.db2.gz YZEAEEMDLFGIIE-ZJUUUORDSA-N 0 0 266.301 1.515 20 5 CDBDRN C[C@@H](O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000312922265 149241390 /nfs/dbraw/zinc/24/13/90/149241390.db2.gz CXPGAHMZTSZBDM-MRVPVSSYSA-N 0 0 278.264 1.352 20 5 CDBDRN C[C@](O)(CNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000314153868 149250893 /nfs/dbraw/zinc/25/08/93/149250893.db2.gz HOHNFNDEEYFDJX-AWEZNQCLSA-N 0 0 294.307 1.251 20 5 CDBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCSCC1 ZINC000334479399 149610926 /nfs/dbraw/zinc/61/09/26/149610926.db2.gz SRGBIOXFBGZGOH-UHFFFAOYSA-N 0 0 270.285 1.923 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](CO)[C@@H]1C ZINC000340868971 151792075 /nfs/dbraw/zinc/79/20/75/151792075.db2.gz CHOGDGSLPCEUSN-WPRPVWTQSA-N 0 0 268.317 1.327 20 5 CDBDRN CO[C@H]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000342450773 151837735 /nfs/dbraw/zinc/83/77/35/151837735.db2.gz BKHXQBUEDMCBIW-CABZTGNLSA-N 0 0 293.323 1.722 20 5 CDBDRN Cc1cc(C(=O)NCc2nccn2C)cc([N+](=O)[O-])c1 ZINC000343296144 152108192 /nfs/dbraw/zinc/10/81/92/152108192.db2.gz DDUQAFJHXCLGFK-UHFFFAOYSA-N 0 0 274.280 1.567 20 5 CDBDRN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)n1 ZINC000343774958 152298636 /nfs/dbraw/zinc/29/86/36/152298636.db2.gz CTXBOYRFGUYUCQ-UHFFFAOYSA-N 0 0 288.263 1.329 20 5 CDBDRN CN(CCC(N)=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000343935882 152360062 /nfs/dbraw/zinc/36/00/62/152360062.db2.gz WOOPMPTZRFUEDX-UHFFFAOYSA-N 0 0 274.280 1.455 20 5 CDBDRN COc1ccc(C(=O)N2CC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344130415 152429063 /nfs/dbraw/zinc/42/90/63/152429063.db2.gz IMJRFBFKKADUAQ-ONGXEEELSA-N 0 0 294.307 1.446 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ncccn2)c1 ZINC000344158051 152439381 /nfs/dbraw/zinc/43/93/81/152439381.db2.gz DKRVCSUJQQHGGT-UHFFFAOYSA-N 0 0 272.264 1.970 20 5 CDBDRN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000344273958 152478408 /nfs/dbraw/zinc/47/84/08/152478408.db2.gz WDFSSSCCGDSTLH-UHFFFAOYSA-N 0 0 288.307 1.924 20 5 CDBDRN CCC[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344463269 152538395 /nfs/dbraw/zinc/53/83/95/152538395.db2.gz SJFMMUJCFALEFX-GFCCVEGCSA-N 0 0 269.301 1.214 20 5 CDBDRN CCOC(=O)[C@@H](C)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680865 155358022 /nfs/dbraw/zinc/35/80/22/155358022.db2.gz VNCGBIIZKYUHSB-SNVBAGLBSA-N 0 0 294.307 1.741 20 5 CDBDRN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCCC[C@H]1O ZINC000252922781 289338107 /nfs/dbraw/zinc/33/81/07/289338107.db2.gz IXUOKOHUPQADGN-GHMZBOCLSA-N 0 0 251.286 1.730 20 5 CDBDRN Cc1n[nH]c(C(=O)N(C)CC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000346158138 153076357 /nfs/dbraw/zinc/07/63/57/153076357.db2.gz WAFZZJOUWAGSNT-SECBINFHSA-N 0 0 282.300 1.267 20 5 CDBDRN CCCN(CC(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000346405695 153172658 /nfs/dbraw/zinc/17/26/58/153172658.db2.gz SWYSSTSJMBEVNU-UHFFFAOYSA-N 0 0 268.317 1.686 20 5 CDBDRN COC[C@H](C)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352711227 155385593 /nfs/dbraw/zinc/38/55/93/155385593.db2.gz WDABQPPZDSWIMW-JTQLQIEISA-N 0 0 266.297 1.824 20 5 CDBDRN Cn1c(C(=O)NCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000346773496 153299086 /nfs/dbraw/zinc/29/90/86/153299086.db2.gz VKKQPUSYIFINMT-UHFFFAOYSA-N 0 0 267.285 1.090 20 5 CDBDRN C[C@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000346997917 153373783 /nfs/dbraw/zinc/37/37/83/153373783.db2.gz YBJJWKXNGTXHAF-IUCAKERBSA-N 0 0 266.301 1.589 20 5 CDBDRN CC(C)[C@](C)(O)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347444389 153532707 /nfs/dbraw/zinc/53/27/07/153532707.db2.gz JUPWMRHUOXAZJI-CQSZACIVSA-N 0 0 290.323 1.779 20 5 CDBDRN COc1ccc([N+](=O)[O-])c(N2CCN(C(C)C)C(=O)C2)c1 ZINC000338697307 286382311 /nfs/dbraw/zinc/38/23/11/286382311.db2.gz LSSBISZUXRWYGY-UHFFFAOYSA-N 0 0 293.323 1.660 20 5 CDBDRN COc1ncc(Cn2ccc(C)c([N+](=O)[O-])c2=O)c(C)n1 ZINC000347782532 153663803 /nfs/dbraw/zinc/66/38/03/153663803.db2.gz XATLLGWLKXXPLH-UHFFFAOYSA-N 0 0 290.279 1.220 20 5 CDBDRN O=C(CN1CCCCC1=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000348006554 153746521 /nfs/dbraw/zinc/74/65/21/153746521.db2.gz KXMAHJQRBSEFSR-UHFFFAOYSA-N 0 0 295.270 1.685 20 5 CDBDRN CN(Cc1ccnn1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000349288166 154081672 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0 0 251.238 1.925 20 5 CDBDRN Cc1nn(Cc2nc(COC(C)C)no2)cc1[N+](=O)[O-] ZINC000783748954 937279981 /nfs/dbraw/zinc/27/99/81/937279981.db2.gz PRTHCIGNXUYODP-UHFFFAOYSA-N 0 0 281.272 1.456 20 5 CDBDRN CC(C)(CCc1nc(-c2cncnc2)no1)[N+](=O)[O-] ZINC000858801046 928922530 /nfs/dbraw/zinc/92/25/30/928922530.db2.gz VRUHJZLXODLIBS-UHFFFAOYSA-N 0 0 263.257 1.515 20 5 CDBDRN CNC(=O)CO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001206027966 928934157 /nfs/dbraw/zinc/93/41/57/928934157.db2.gz QFJXOJUYRCKETF-SNVBAGLBSA-N 0 0 292.213 1.961 20 5 CDBDRN CC(C)(C)CNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000859482605 929018105 /nfs/dbraw/zinc/01/81/05/929018105.db2.gz FIKXONLAZXYWEZ-UHFFFAOYSA-N 0 0 294.307 1.914 20 5 CDBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)c1ccoc1 ZINC000859525701 929024652 /nfs/dbraw/zinc/02/46/52/929024652.db2.gz MCVYDTFVDZVXEC-UHFFFAOYSA-N 0 0 293.235 1.119 20 5 CDBDRN CCC[C@H](CCO)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001151655805 937299345 /nfs/dbraw/zinc/29/93/45/937299345.db2.gz CPOURVBRDXPCCZ-SNVBAGLBSA-N 0 0 281.312 1.579 20 5 CDBDRN CCC[C@@H](CCO)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001151655804 937299889 /nfs/dbraw/zinc/29/98/89/937299889.db2.gz CPOURVBRDXPCCZ-JTQLQIEISA-N 0 0 281.312 1.579 20 5 CDBDRN CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000784541263 937303043 /nfs/dbraw/zinc/30/30/43/937303043.db2.gz JXCKMPYNEDQLEH-NSHDSACASA-N 0 0 283.240 1.312 20 5 CDBDRN CCOCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110041294 929115068 /nfs/dbraw/zinc/11/50/68/929115068.db2.gz QQLIYKYZOXLYAR-UHFFFAOYSA-N 0 0 293.323 1.692 20 5 CDBDRN COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[C@@H]32)n1 ZINC001157131960 929214869 /nfs/dbraw/zinc/21/48/69/929214869.db2.gz DDEHIUCJLHNNNS-BDAKNGLRSA-N 0 0 264.285 1.691 20 5 CDBDRN CC(=O)NCc1ccc(C(=O)OCCC[N+](=O)[O-])cc1 ZINC000860914329 929216447 /nfs/dbraw/zinc/21/64/47/929216447.db2.gz USIPJXTYRZWSBI-UHFFFAOYSA-N 0 0 280.280 1.146 20 5 CDBDRN CCCn1ncc(C(=O)OCCC[N+](=O)[O-])c1C1CC1 ZINC000860916944 929216802 /nfs/dbraw/zinc/21/68/02/929216802.db2.gz CKPBMUDBJXPIOI-UHFFFAOYSA-N 0 0 281.312 1.994 20 5 CDBDRN Cc1nn(C)c2sc(C(=O)OCCC[N+](=O)[O-])cc12 ZINC000860913331 929216971 /nfs/dbraw/zinc/21/69/71/929216971.db2.gz YYNHBSOBPITONH-UHFFFAOYSA-N 0 0 283.309 1.767 20 5 CDBDRN CO[C@@H]1CCC[C@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860921664 929218054 /nfs/dbraw/zinc/21/80/54/929218054.db2.gz ZGTZMSQTRNXMFN-WDEREUQCSA-N 0 0 259.302 1.792 20 5 CDBDRN C[C@]1(COC(=O)c2cccc([N+](=O)[O-])c2)COC(=O)N1 ZINC000860990666 929228101 /nfs/dbraw/zinc/22/81/01/929228101.db2.gz KNYMWXLUSUBTLF-LBPRGKRZSA-N 0 0 280.236 1.250 20 5 CDBDRN O=C(NC[C@@H]1COCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000861967605 929357616 /nfs/dbraw/zinc/35/76/16/929357616.db2.gz FHTNNSSCSYXHEQ-SECBINFHSA-N 0 0 291.263 1.179 20 5 CDBDRN CC(C)(C(=O)NC[C@H]1COCO1)c1ccccc1[N+](=O)[O-] ZINC000861979866 929363806 /nfs/dbraw/zinc/36/38/06/929363806.db2.gz GCMLDLCTQLPUPF-JTQLQIEISA-N 0 0 294.307 1.362 20 5 CDBDRN COC[C@@H]1CCCN1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000862601213 929441304 /nfs/dbraw/zinc/44/13/04/929441304.db2.gz KMVSZZGEQHXTCN-LBPRGKRZSA-N 0 0 293.323 1.659 20 5 CDBDRN CCN(CC(=O)NC)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788073378 929473157 /nfs/dbraw/zinc/47/31/57/929473157.db2.gz YYRUEHGBRZCFPQ-UHFFFAOYSA-N 0 0 271.704 1.821 20 5 CDBDRN O=[N+]([O-])c1c(NOC[C@H]2CCOC2)nc2ccccn21 ZINC000788083656 929474980 /nfs/dbraw/zinc/47/49/80/929474980.db2.gz SUKLQRAZZHEVAP-VIFPVBQESA-N 0 0 278.268 1.623 20 5 CDBDRN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC1 ZINC000862852567 929475557 /nfs/dbraw/zinc/47/55/57/929475557.db2.gz SDOWDFGHINGPAH-ZDUSSCGKSA-N 0 0 276.292 1.782 20 5 CDBDRN CCNc1ccc(C(=O)OCC(C)=O)cc1[N+](=O)[O-] ZINC000797671092 937334763 /nfs/dbraw/zinc/33/47/63/937334763.db2.gz GENZQQJAJDIXGW-UHFFFAOYSA-N 0 0 266.253 1.772 20 5 CDBDRN CN(CSc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000788503544 929542601 /nfs/dbraw/zinc/54/26/01/929542601.db2.gz HPQIQOZBASVRCT-UHFFFAOYSA-N 0 0 294.329 1.675 20 5 CDBDRN O=C1CN(c2c(Cl)cccc2[N+](=O)[O-])CCCN1 ZINC000814360956 929683397 /nfs/dbraw/zinc/68/33/97/929683397.db2.gz SOWPYRWMLMNADT-UHFFFAOYSA-N 0 0 269.688 1.575 20 5 CDBDRN CC(C)C1(O)CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000216966710 929710983 /nfs/dbraw/zinc/71/09/83/929710983.db2.gz LBKHUQVPZNUAQS-YVMONPNESA-N 0 0 290.319 1.837 20 5 CDBDRN COCC1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000880595938 929719001 /nfs/dbraw/zinc/71/90/01/929719001.db2.gz UWDQEBRNRMYRRM-UHFFFAOYSA-N 0 0 298.270 1.218 20 5 CDBDRN CC(=O)NCCOCCCNc1ccc([N+](=O)[O-])cc1 ZINC001115374562 937357676 /nfs/dbraw/zinc/35/76/76/937357676.db2.gz HJEYLUWSBNSDFY-UHFFFAOYSA-N 0 0 281.312 1.550 20 5 CDBDRN O=[N+]([O-])c1cccc(Cn2cc([C@@H](O)C3CC3)nn2)c1 ZINC000880958056 929769856 /nfs/dbraw/zinc/76/98/56/929769856.db2.gz OBVUOJWGQAIIMW-ZDUSSCGKSA-N 0 0 274.280 1.678 20 5 CDBDRN C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)C1CC1 ZINC000798608690 937362129 /nfs/dbraw/zinc/36/21/29/937362129.db2.gz AGHJMDFFWMQLEF-QMMMGPOBSA-N 0 0 295.295 1.437 20 5 CDBDRN CC(C)(O)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000881353593 929822762 /nfs/dbraw/zinc/82/27/62/929822762.db2.gz OARPJFYXGUHZJY-UHFFFAOYSA-N 0 0 298.249 1.740 20 5 CDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccns1 ZINC000881502115 929856343 /nfs/dbraw/zinc/85/63/43/929856343.db2.gz JCAJVSDBNGDVOP-UHFFFAOYSA-N 0 0 292.320 1.727 20 5 CDBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](CF)C1 ZINC000881665572 929879966 /nfs/dbraw/zinc/87/99/66/929879966.db2.gz IZJGJSTUCRFBME-QMMMGPOBSA-N 0 0 292.270 1.903 20 5 CDBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](O)CC1 ZINC000814959798 929900590 /nfs/dbraw/zinc/90/05/90/929900590.db2.gz DBKHIPYFFNLNEU-NSHDSACASA-N 0 0 293.323 1.306 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1NC[C@@H](O)C(F)(F)F ZINC000881856263 929908224 /nfs/dbraw/zinc/90/82/24/929908224.db2.gz JEDACJRYNJICKY-RXMQYKEDSA-N 0 0 269.154 1.464 20 5 CDBDRN C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000881923782 929918729 /nfs/dbraw/zinc/91/87/29/929918729.db2.gz NSYXYYZRYDALFC-ZJUUUORDSA-N 0 0 298.318 1.650 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1NCC[C@H](O)C(F)(F)F ZINC000881973412 929926116 /nfs/dbraw/zinc/92/61/16/929926116.db2.gz MFDSRTKOXWXCSE-LURJTMIESA-N 0 0 283.181 1.854 20 5 CDBDRN CC(C)[C@@H](O)CCn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000882018818 929932742 /nfs/dbraw/zinc/93/27/42/929932742.db2.gz DBRDBQPBKFIQIZ-ZDUSSCGKSA-N 0 0 291.307 1.712 20 5 CDBDRN O=C(N1C[C@H]2C[C@@]2(O)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000882342416 929980474 /nfs/dbraw/zinc/98/04/74/929980474.db2.gz GXWWUZADDVKFEF-BXKDBHETSA-N 0 0 298.245 1.280 20 5 CDBDRN CC(=O)c1c(N[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000882433029 929998023 /nfs/dbraw/zinc/99/80/23/929998023.db2.gz VEODMFGGTGTJGY-DTORHVGOSA-N 0 0 250.254 1.733 20 5 CDBDRN CC(=O)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)C1 ZINC000882471482 930006576 /nfs/dbraw/zinc/00/65/76/930006576.db2.gz UAAMQTUIMCDOTP-NSHDSACASA-N 0 0 291.307 1.512 20 5 CDBDRN CCOC(=O)[C@@H](F)[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000882570779 930040735 /nfs/dbraw/zinc/04/07/35/930040735.db2.gz ITSORKHCAUNYJQ-ONGXEEELSA-N 0 0 297.286 1.717 20 5 CDBDRN O=[N+]([O-])c1c(F)nccc1N1CCc2nccnc2C1 ZINC000882635369 930053105 /nfs/dbraw/zinc/05/31/05/930053105.db2.gz GOXAATWDHMMAHE-UHFFFAOYSA-N 0 0 275.243 1.482 20 5 CDBDRN C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000882636366 930053314 /nfs/dbraw/zinc/05/33/14/930053314.db2.gz RHBJQGBTFUOWMR-UFBFGSQYSA-N 0 0 269.276 1.584 20 5 CDBDRN CC(=O)C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882714724 930064147 /nfs/dbraw/zinc/06/41/47/930064147.db2.gz QOINOQCSGYFIIR-UHFFFAOYSA-N 0 0 267.260 1.934 20 5 CDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[C@@]2(O)C1 ZINC000882933656 930103386 /nfs/dbraw/zinc/10/33/86/930103386.db2.gz LIOMGFPMWOTGIK-NOZJJQNGSA-N 0 0 262.265 1.368 20 5 CDBDRN CO[C@H]1COCC[C@H]1N(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000882938779 930106234 /nfs/dbraw/zinc/10/62/34/930106234.db2.gz LGSOCLUGRVAWHL-PWSUYJOCSA-N 0 0 281.312 1.538 20 5 CDBDRN O=[N+]([O-])c1ccc(N2CC=C[C@H]2CO)cc1OC(F)F ZINC000882976522 930114968 /nfs/dbraw/zinc/11/49/68/930114968.db2.gz FPCJJQIXKAFNEN-VIFPVBQESA-N 0 0 286.234 1.933 20 5 CDBDRN Cc1c(Cn2cc3c(n2)CC[C@@H](O)C3)cccc1[N+](=O)[O-] ZINC000883005140 930120916 /nfs/dbraw/zinc/12/09/16/930120916.db2.gz FVXUWSNCGAOSQB-CYBMUJFWSA-N 0 0 287.319 1.998 20 5 CDBDRN COc1cnc(N[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC001170823221 930260389 /nfs/dbraw/zinc/26/03/89/930260389.db2.gz MIUWBMBQAMSDRJ-RKDXNWHRSA-N 0 0 267.285 1.835 20 5 CDBDRN COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1CCOC[C@H]1C ZINC001170830628 930307431 /nfs/dbraw/zinc/30/74/31/930307431.db2.gz IZFYAFHUNOLDIX-SCZZXKLOSA-N 0 0 295.295 1.613 20 5 CDBDRN CC(=O)OC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000133661129 930435417 /nfs/dbraw/zinc/43/54/17/930435417.db2.gz ZLINIPFFGKWDDU-UHFFFAOYSA-N 0 0 298.320 1.824 20 5 CDBDRN CN(CCCF)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000884139059 930457223 /nfs/dbraw/zinc/45/72/23/930457223.db2.gz HTAHNHPJOWBOCI-UHFFFAOYSA-N 0 0 299.302 1.975 20 5 CDBDRN CON(C)C(=O)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000817296085 930488306 /nfs/dbraw/zinc/48/83/06/930488306.db2.gz HZALJBCNZTXHEL-UHFFFAOYSA-N 0 0 296.283 1.045 20 5 CDBDRN CCOC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817433455 930535629 /nfs/dbraw/zinc/53/56/29/930535629.db2.gz QNNWYWAJOMCZRC-JTQLQIEISA-N 0 0 294.307 1.893 20 5 CDBDRN Cc1nn(CN2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000884480837 930579398 /nfs/dbraw/zinc/57/93/98/930579398.db2.gz BLSBZINKFLALSO-AAEUAGOBSA-N 0 0 280.328 1.558 20 5 CDBDRN O=[N+]([O-])c1cnn(CN2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884482866 930582621 /nfs/dbraw/zinc/58/26/21/930582621.db2.gz IWHNHKXOHXCWMO-ZYHUDNBSSA-N 0 0 266.301 1.250 20 5 CDBDRN O=[N+]([O-])c1cnc(N2C[C@H]3[C@H](CO)[C@H]3C2)c2ccccc21 ZINC000884513651 930588150 /nfs/dbraw/zinc/58/81/50/930588150.db2.gz OASUXTPTHHXQCO-ITGUQSILSA-N 0 0 285.303 1.818 20 5 CDBDRN O=[N+]([O-])c1ccc(N[C@H](CO)C[C@H]2CCCO2)cc1 ZINC000884618118 930608644 /nfs/dbraw/zinc/60/86/44/930608644.db2.gz XIXDWXSHBSGPOE-WCQYABFASA-N 0 0 266.297 1.937 20 5 CDBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884622097 930610876 /nfs/dbraw/zinc/61/08/76/930610876.db2.gz DUKAEQFCFYBHDL-FJPPDTINSA-N 0 0 272.688 1.544 20 5 CDBDRN COc1cc(COC(=O)COC2CC2)c([N+](=O)[O-])cc1F ZINC000884658038 930620436 /nfs/dbraw/zinc/62/04/36/930620436.db2.gz VMNCWGDBIYONSH-UHFFFAOYSA-N 0 0 299.254 1.965 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](c2ncccn2)C1 ZINC000884708857 930628351 /nfs/dbraw/zinc/62/83/51/930628351.db2.gz MXBZWSXDKCEDLO-JTQLQIEISA-N 0 0 288.311 1.502 20 5 CDBDRN O=C(C[C@H]1CCNC1=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000884922134 930652351 /nfs/dbraw/zinc/65/23/51/930652351.db2.gz OITQXTAANSOBSM-MRVPVSSYSA-N 0 0 296.254 1.303 20 5 CDBDRN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818018831 930662776 /nfs/dbraw/zinc/66/27/76/930662776.db2.gz 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281.312 1.376 20 5 CDBDRN CN(CCc1cnccn1)c1cc(N)ccc1[N+](=O)[O-] ZINC000800861590 935942654 /nfs/dbraw/zinc/94/26/54/935942654.db2.gz VPEWXOYJTXMGTQ-UHFFFAOYSA-N 0 0 273.296 1.646 20 5 CDBDRN C[C@@H](O)[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800860985 935942791 /nfs/dbraw/zinc/94/27/91/935942791.db2.gz ZZWWEYGZVHBERI-ZJUUUORDSA-N 0 0 265.313 1.774 20 5 CDBDRN CCn1ncnc1COC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000801193591 935975803 /nfs/dbraw/zinc/97/58/03/935975803.db2.gz BPYAAPQXBYYFOP-UHFFFAOYSA-N 0 0 290.279 1.492 20 5 CDBDRN CCOC(=O)[C@H](C)OC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780071188 936014029 /nfs/dbraw/zinc/01/40/29/936014029.db2.gz DRUTYSGCXKUWDS-ZETCQYMHSA-N 0 0 283.236 1.409 20 5 CDBDRN C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000801915262 936016037 /nfs/dbraw/zinc/01/60/37/936016037.db2.gz IVGXFVYYFYTRLH-CYBMUJFWSA-N 0 0 297.286 1.207 20 5 CDBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC=CCC1 ZINC000801948370 936017985 /nfs/dbraw/zinc/01/79/85/936017985.db2.gz 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/nfs/dbraw/zinc/27/86/58/343278658.db2.gz WQGKXOREAYDUOB-JTQLQIEISA-N 0 0 293.323 1.922 20 5 CDBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](C)O ZINC000596266986 343280270 /nfs/dbraw/zinc/28/02/70/343280270.db2.gz UNZCAJYFABHCRO-OIBJUYFYSA-N 0 0 267.285 1.265 20 5 CDBDRN CCc1nc(C)c(Cn2c(C)ccc([N+](=O)[O-])c2=O)o1 ZINC000596269426 343281404 /nfs/dbraw/zinc/28/14/04/343281404.db2.gz UIYQNQMQOVXWNL-UHFFFAOYSA-N 0 0 277.280 1.972 20 5 CDBDRN CCOC(=O)c1nnn(Cc2onc(C)c2[N+](=O)[O-])c1C ZINC000596297932 343291455 /nfs/dbraw/zinc/29/14/55/343291455.db2.gz SRVYFUNTACFXPU-UHFFFAOYSA-N 0 0 295.255 1.016 20 5 CDBDRN CC(C)N(CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000596300174 343292163 /nfs/dbraw/zinc/29/21/63/343292163.db2.gz VEFNITDUXUZLMU-UHFFFAOYSA-N 0 0 286.353 1.807 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CO)c1cccnc1 ZINC000596278405 343296356 /nfs/dbraw/zinc/29/63/56/343296356.db2.gz PCGHERMDEWREMN-LLVKDONJSA-N 0 0 291.311 1.660 20 5 CDBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc[nH]1 ZINC000619564186 349803809 /nfs/dbraw/zinc/80/38/09/349803809.db2.gz XQSUKSZQVFZLOP-UHFFFAOYSA-N 0 0 298.262 1.960 20 5 CDBDRN CCOc1cccc(N(C)C[C@H]2COCCO2)c1[N+](=O)[O-] ZINC000596458614 343316757 /nfs/dbraw/zinc/31/67/57/343316757.db2.gz UIWPVQIFSFAKNP-NSHDSACASA-N 0 0 296.323 1.845 20 5 CDBDRN O=C([O-])C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000596658486 343365072 /nfs/dbraw/zinc/36/50/72/343365072.db2.gz RVHVAJFWRJBFNP-UHFFFAOYSA-N 0 0 264.281 1.939 20 5 CDBDRN CCCN(CC(=O)NC)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000091484387 342404714 /nfs/dbraw/zinc/40/47/14/342404714.db2.gz RYSQBLUOVJPIAT-UHFFFAOYSA-N 0 0 299.302 1.705 20 5 CDBDRN O=[N+]([O-])c1cnc2ccc(NCC3=CCCC3)nn21 ZINC000596517245 343340312 /nfs/dbraw/zinc/34/03/12/343340312.db2.gz FXKDUCAQIZKVGE-UHFFFAOYSA-N 0 0 259.269 1.582 20 5 CDBDRN COC(=O)[C@H]1C[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000596557088 343342643 /nfs/dbraw/zinc/34/26/43/343342643.db2.gz 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/nfs/dbraw/zinc/56/27/08/343562708.db2.gz VOGVENSRFBWQCL-LLVKDONJSA-N 0 0 296.279 1.048 20 5 CDBDRN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597531800 343567807 /nfs/dbraw/zinc/56/78/07/343567807.db2.gz GUXRPKOWSPRDMM-CHWSQXEVSA-N 0 0 293.323 1.513 20 5 CDBDRN CCc1nn(C)c(NCC(C)(C)COC)c1[N+](=O)[O-] ZINC000291793153 529767587 /nfs/dbraw/zinc/76/75/87/529767587.db2.gz IXPHIZYBPZDILL-UHFFFAOYSA-N 0 0 270.333 1.975 20 5 CDBDRN CCc1nn(C)c(NCc2nncn2CC)c1[N+](=O)[O-] ZINC000158150294 529767695 /nfs/dbraw/zinc/76/76/95/529767695.db2.gz FHZHDIRNGOYNEU-UHFFFAOYSA-N 0 0 279.304 1.114 20 5 CDBDRN CC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597706940 343605639 /nfs/dbraw/zinc/60/56/39/343605639.db2.gz KUMHTOLEUQBCGQ-SNVBAGLBSA-N 0 0 265.269 1.507 20 5 CDBDRN C[C@H](CO)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000598016105 343690368 /nfs/dbraw/zinc/69/03/68/343690368.db2.gz DRQGXMSXVSIQJC-MNOVXSKESA-N 0 0 295.339 1.556 20 5 CDBDRN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000598040369 343703249 /nfs/dbraw/zinc/70/32/49/343703249.db2.gz PIJHCIMCXBONNC-SNVBAGLBSA-N 0 0 294.307 1.251 20 5 CDBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC/C=C\CO)c1 ZINC000597992664 343682528 /nfs/dbraw/zinc/68/25/28/343682528.db2.gz MVCCEVAHNQLLSL-IHWYPQMZSA-N 0 0 294.307 1.337 20 5 CDBDRN CCOc1ccc(C(=O)NC/C=C/CO)cc1[N+](=O)[O-] ZINC000597994293 343683851 /nfs/dbraw/zinc/68/38/51/343683851.db2.gz VHKPSJFEIGHWKR-ONEGZZNKSA-N 0 0 280.280 1.272 20 5 CDBDRN Cc1cc(C(=O)N(C)Cc2cn(C)nn2)ccc1[N+](=O)[O-] ZINC000598224644 343737407 /nfs/dbraw/zinc/73/74/07/343737407.db2.gz MEWPWXAHRUOGJZ-UHFFFAOYSA-N 0 0 289.295 1.304 20 5 CDBDRN CN(Cc1cn(C)nn1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598227259 343738258 /nfs/dbraw/zinc/73/82/58/343738258.db2.gz TWMNKQNPKRUSFB-UHFFFAOYSA-N 0 0 293.258 1.135 20 5 CDBDRN C[C@H](O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598236087 343745661 /nfs/dbraw/zinc/74/56/61/343745661.db2.gz HEJREAVCRKGFJP-JOYOIKCWSA-N 0 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RGEWXFDMEOZAOX-NXEZZACHSA-N 0 0 251.286 1.445 20 5 CDBDRN CC[C@H](CCO)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598598678 343830807 /nfs/dbraw/zinc/83/08/07/343830807.db2.gz INEIXYFMBWBSIO-MRVPVSSYSA-N 0 0 283.284 1.349 20 5 CDBDRN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[NH2+]1 ZINC000598576669 343833990 /nfs/dbraw/zinc/83/39/90/343833990.db2.gz YNYUQMJISGTWAN-GFCCVEGCSA-N 0 0 293.323 1.370 20 5 CDBDRN COC(=O)c1ccnc(N(C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000598601694 343850562 /nfs/dbraw/zinc/85/05/62/343850562.db2.gz MUJHSUQFGLYHHM-VIFPVBQESA-N 0 0 295.295 1.249 20 5 CDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](CO)C1 ZINC000598635164 343862612 /nfs/dbraw/zinc/86/26/12/343862612.db2.gz ISTJOOADSZWYCW-GXSJLCMTSA-N 0 0 282.344 1.574 20 5 CDBDRN Cc1nc(N2CC[C@@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598635124 343862841 /nfs/dbraw/zinc/86/28/41/343862841.db2.gz IDYGPKMFOFSQDT-MWLCHTKSSA-N 0 0 265.313 1.753 20 5 CDBDRN O=C([O-])[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 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CC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000331919535 204293950 /nfs/dbraw/zinc/29/39/50/204293950.db2.gz FHWLIMXGFDDVAX-MWLCHTKSSA-N 0 0 284.337 1.980 20 5 CDBDRN COc1ccc(NC(=O)NC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000272857204 371442840 /nfs/dbraw/zinc/44/28/40/371442840.db2.gz RIYAJZNGACOJFX-NSHDSACASA-N 0 0 295.295 1.496 20 5 CDBDRN C[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000362078026 296175645 /nfs/dbraw/zinc/17/56/45/296175645.db2.gz QHDZPGCUROBLMT-NXEZZACHSA-N 0 0 281.312 1.678 20 5 CDBDRN Cn1cnc([N+](=O)[O-])c1NCCc1ccccc1[N+](=O)[O-] ZINC000266303747 372070541 /nfs/dbraw/zinc/07/05/41/372070541.db2.gz YZSUMCHBEZXFOB-UHFFFAOYSA-N 0 0 291.267 1.891 20 5 CDBDRN CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332605548 204828938 /nfs/dbraw/zinc/82/89/38/204828938.db2.gz BWJOEUQVYJZOIB-GZMMTYOYSA-N 0 0 267.285 1.156 20 5 CDBDRN CC(C)[C@@](C)(O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332720971 204925029 /nfs/dbraw/zinc/92/50/29/204925029.db2.gz 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