smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285288337 398319548 /nfs/dbraw/zinc/31/95/48/398319548.db2.gz KBYAFYGPOJZPAH-UHFFFAOYSA-N 1 1 236.315 2.869 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1F ZINC000339587767 398332788 /nfs/dbraw/zinc/33/27/88/398332788.db2.gz UDXYNKGDERHRSE-GHMZBOCLSA-N 1 1 238.262 2.575 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000335689956 136324474 /nfs/dbraw/zinc/32/44/74/136324474.db2.gz KIJMOTWSGSQSNY-AOOOYVTPSA-N 1 1 220.272 2.578 20 5 BFBDMO Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000611164966 344268831 /nfs/dbraw/zinc/26/88/31/344268831.db2.gz CSZBZEGWWLKZSX-UHFFFAOYSA-N 1 1 249.245 2.596 20 5 BFBDMO CCc1[nH+]ccn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000158346572 344611180 /nfs/dbraw/zinc/61/11/80/344611180.db2.gz HQGKLDGMZCDNKK-UHFFFAOYSA-N 1 1 249.245 2.541 20 5 BFBDMO Cc1c(C[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517228 344747767 /nfs/dbraw/zinc/74/77/67/344747767.db2.gz JPPIZIWDAXVXRL-UHFFFAOYSA-N 1 1 232.283 2.665 20 5 BFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC=CCC1 ZINC000611521187 344749536 /nfs/dbraw/zinc/74/95/36/344749536.db2.gz RYCXKEVGPMBDBH-SOFGYWHQSA-N 1 1 244.294 2.870 20 5 BFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000078723246 344901327 /nfs/dbraw/zinc/90/13/27/344901327.db2.gz RSEACSBUGXORQA-JTQLQIEISA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092471268 345623632 /nfs/dbraw/zinc/62/36/32/345623632.db2.gz RYCXRXRATGYMNT-FUEXJSSKSA-N 1 1 246.310 2.950 20 5 BFBDMO C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595334209 348228957 /nfs/dbraw/zinc/22/89/57/348228957.db2.gz NKWLSUPCRRFAKG-VIFPVBQESA-N 1 1 238.262 2.718 20 5 BFBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595560159 348281083 /nfs/dbraw/zinc/28/10/83/348281083.db2.gz IJOCUSWXVWNJSP-UHFFFAOYSA-N 1 1 241.291 2.512 20 5 BFBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174375 323203321 /nfs/dbraw/zinc/20/33/21/323203321.db2.gz DIJXLDPQYOYFCQ-UHFFFAOYSA-N 1 1 226.301 2.641 20 5 BFBDMO Cc1[nH+]cn(Cc2c(F)cccc2[N+](=O)[O-])c1C ZINC000112980719 180288272 /nfs/dbraw/zinc/28/82/72/180288272.db2.gz RVKSPRWLLQPGAU-UHFFFAOYSA-N 1 1 249.245 2.596 20 5 BFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000267056285 354319127 /nfs/dbraw/zinc/31/91/27/354319127.db2.gz SBAIBBSAEITUDG-UHFFFAOYSA-N 1 1 238.262 2.718 20 5 BFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000267056285 354319131 /nfs/dbraw/zinc/31/91/31/354319131.db2.gz SBAIBBSAEITUDG-UHFFFAOYSA-N 1 1 238.262 2.718 20 5 BFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610133345 357221776 /nfs/dbraw/zinc/22/17/76/357221776.db2.gz HUZITALRSYWEQA-IUCAKERBSA-N 1 1 240.328 2.887 20 5 BFBDMO CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000429305257 201098635 /nfs/dbraw/zinc/09/86/35/201098635.db2.gz LNKJLOJZMZWBCO-JTQLQIEISA-N 1 1 238.262 2.718 20 5 BFBDMO CC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000429305257 201098636 /nfs/dbraw/zinc/09/86/36/201098636.db2.gz LNKJLOJZMZWBCO-JTQLQIEISA-N 1 1 238.262 2.718 20 5 BFBDMO CC1=CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000436265251 201316278 /nfs/dbraw/zinc/31/62/78/201316278.db2.gz RCXSGBGXZAGKDD-UHFFFAOYSA-N 1 1 246.310 2.789 20 5 BFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000353801952 371957822 /nfs/dbraw/zinc/95/78/22/371957822.db2.gz GTPLBEIGSSRHTB-UHFFFAOYSA-N 1 1 234.299 2.969 20 5 BFBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000353817187 371959921 /nfs/dbraw/zinc/95/99/21/371959921.db2.gz NKAKCYOKCFECNQ-UHFFFAOYSA-N 1 1 234.299 2.969 20 5 BFBDMO CCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000127536910 169081492 /nfs/dbraw/zinc/08/14/92/169081492.db2.gz IKEYHWCZXCJGKU-UHFFFAOYSA-N 1 1 222.288 2.745 20 5 BFBDMO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171681625 169180034 /nfs/dbraw/zinc/18/00/34/169180034.db2.gz QLFYKOYDNSUHMJ-UHFFFAOYSA-N 1 1 234.299 2.969 20 5 BFBDMO C[C@@H](CF)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000288569125 383905102 /nfs/dbraw/zinc/90/51/02/383905102.db2.gz ZMMZSKJMIPOQAO-ZETCQYMHSA-N 1 1 246.669 2.696 20 5 BFBDMO CC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000569532295 384184456 /nfs/dbraw/zinc/18/44/56/384184456.db2.gz XRKBADCXKKATJT-UHFFFAOYSA-N 1 1 246.310 2.753 20 5 BFBDMO Cc1ccc(C[N@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000093475756 384242799 /nfs/dbraw/zinc/24/27/99/384242799.db2.gz ASYWFHYWDKSHDY-UHFFFAOYSA-N 1 1 234.299 2.888 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248344159 384787027 /nfs/dbraw/zinc/78/70/27/384787027.db2.gz LFWSDDRKJXRVCB-MNOVXSKESA-N 1 1 234.299 2.825 20 5 BFBDMO CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267070365 386754323 /nfs/dbraw/zinc/75/43/23/386754323.db2.gz VQPDIELRXZKJRE-UHFFFAOYSA-N 1 1 240.278 2.966 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC2(CC2)C1 ZINC000186609049 387019394 /nfs/dbraw/zinc/01/93/94/387019394.db2.gz SSXDOKPTTZYAJT-UHFFFAOYSA-N 1 1 246.310 2.971 20 5 BFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045770777 387994554 /nfs/dbraw/zinc/99/45/54/387994554.db2.gz DNBVMLLFTCGTCP-UHFFFAOYSA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000252020869 388392756 /nfs/dbraw/zinc/39/27/56/388392756.db2.gz YGXDNASCTSUZJO-JTQLQIEISA-N 1 1 234.299 2.825 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000449423207 388749437 /nfs/dbraw/zinc/74/94/37/388749437.db2.gz GZANSOYBAKCKCH-LBPRGKRZSA-N 1 1 232.283 2.579 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000449427307 388749508 /nfs/dbraw/zinc/74/95/08/388749508.db2.gz RPTCSIPAADYLKI-CYBMUJFWSA-N 1 1 232.283 2.579 20 5 BFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]2C2CC2)cs1 ZINC000449427316 388749556 /nfs/dbraw/zinc/74/95/56/388749556.db2.gz RRPIXGRTYWJGEL-SNVBAGLBSA-N 1 1 238.312 2.641 20 5 BFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]2C2CC2)cs1 ZINC000449427316 388749559 /nfs/dbraw/zinc/74/95/59/388749559.db2.gz RRPIXGRTYWJGEL-SNVBAGLBSA-N 1 1 238.312 2.641 20 5 BFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489443307 388726188 /nfs/dbraw/zinc/72/61/88/388726188.db2.gz WEBBTEFUHNEYNR-LBPRGKRZSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000338356642 177100148 /nfs/dbraw/zinc/10/01/48/177100148.db2.gz XSQYJJVGWZOFOO-LBPRGKRZSA-N 1 1 248.326 2.869 20 5 BFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267020723 177165372 /nfs/dbraw/zinc/16/53/72/177165372.db2.gz KAQXYDIQUOPZCN-VIFPVBQESA-N 1 1 238.262 2.576 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C)C1 ZINC000299569542 177169613 /nfs/dbraw/zinc/16/96/13/177169613.db2.gz BJVTXEZQVTVLGH-WDEREUQCSA-N 1 1 234.299 2.998 20 5 BFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123275370 177187193 /nfs/dbraw/zinc/18/71/93/177187193.db2.gz XZBXISMYOGXITK-PHIMTYICSA-N 1 1 234.299 2.968 20 5 BFBDMO CC(C)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247437 323169013 /nfs/dbraw/zinc/16/90/13/323169013.db2.gz PCFIBXXCRBFEIW-UHFFFAOYSA-N 1 1 248.326 2.999 20 5 BFBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174375 323203320 /nfs/dbraw/zinc/20/33/20/323203320.db2.gz DIJXLDPQYOYFCQ-UHFFFAOYSA-N 1 1 226.301 2.641 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CC1CC1)C1CC1 ZINC000076350090 325342324 /nfs/dbraw/zinc/34/23/24/325342324.db2.gz KLOCESHATLMGQK-UHFFFAOYSA-N 1 1 246.310 2.969 20 5 BFBDMO CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273623 588974299 /nfs/dbraw/zinc/97/42/99/588974299.db2.gz XQQPHVMGLAITRS-UHFFFAOYSA-N 1 1 228.679 2.700 20 5 BFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000791051399 585972689 /nfs/dbraw/zinc/97/26/89/585972689.db2.gz CJFIAPBZFLYUSB-ZDUSSCGKSA-N 1 1 240.347 2.698 20 5 BFBDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053794 585973472 /nfs/dbraw/zinc/97/34/72/585973472.db2.gz PNTYJAFDMOTHIB-SECBINFHSA-N 1 1 242.706 2.610 20 5 BFBDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053794 585973473 /nfs/dbraw/zinc/97/34/73/585973473.db2.gz PNTYJAFDMOTHIB-SECBINFHSA-N 1 1 242.706 2.610 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554542 586261752 /nfs/dbraw/zinc/26/17/52/586261752.db2.gz KGNBYCOFLKBDLT-DTORHVGOSA-N 1 1 238.262 2.717 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554542 586261755 /nfs/dbraw/zinc/26/17/55/586261755.db2.gz KGNBYCOFLKBDLT-DTORHVGOSA-N 1 1 238.262 2.717 20 5 BFBDMO CC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885941618 592111727 /nfs/dbraw/zinc/11/17/27/592111727.db2.gz DEQKCRCXYRABOR-LLVKDONJSA-N 1 1 249.314 2.612 20 5 BFBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC[N+](=O)[O-] ZINC000930602008 639817531 /nfs/dbraw/zinc/81/75/31/639817531.db2.gz YLGJLAZMJMKSLT-YRGRVCCFSA-N 1 1 248.326 2.530 20 5 BFBDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC[N+](=O)[O-] ZINC000930602005 639817571 /nfs/dbraw/zinc/81/75/71/639817571.db2.gz YLGJLAZMJMKSLT-BZPMIXESSA-N 1 1 248.326 2.530 20 5 BFBDMO CC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774256 641371774 /nfs/dbraw/zinc/37/17/74/641371774.db2.gz ATUWALHSDZIQPN-VIFPVBQESA-N 1 1 240.278 2.964 20 5 BFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007167 969328876 /nfs/dbraw/zinc/32/88/76/969328876.db2.gz LSAZQSGURHDNPA-XQHKEYJVSA-N 1 1 240.347 2.695 20 5 BFBDMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038982 969356138 /nfs/dbraw/zinc/35/61/38/969356138.db2.gz MDWQTJLUQRFOHM-CMPLNLGQSA-N 1 1 228.336 2.552 20 5 BFBDMO CC(C)[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220418 975068846 /nfs/dbraw/zinc/06/88/46/975068846.db2.gz AAQJXEIJHJQRJX-LLVKDONJSA-N 1 1 236.315 2.866 20 5 BFBDMO Cc1cc[nH+]c(C)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203567068 966695502 /nfs/dbraw/zinc/69/55/02/966695502.db2.gz WIPIONQUMXBPNJ-UHFFFAOYSA-N 1 1 244.254 2.745 20 5 BFBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169007408 969329568 /nfs/dbraw/zinc/32/95/68/969329568.db2.gz NJSMFIJCHNSOMZ-YPMHNXCESA-N 1 1 240.347 2.696 20 5 BFBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169007407 969330538 /nfs/dbraw/zinc/33/05/38/969330538.db2.gz NJSMFIJCHNSOMZ-WCQYABFASA-N 1 1 240.347 2.696 20 5 BFBDMO CCCC[N@@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008039 969334624 /nfs/dbraw/zinc/33/46/24/969334624.db2.gz QXOGNBBUABQOHI-NEPJUHHUSA-N 1 1 228.336 2.554 20 5 BFBDMO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012276 969339314 /nfs/dbraw/zinc/33/93/14/969339314.db2.gz OXHFRXHXBZJJON-FRRDWIJNSA-N 1 1 240.347 2.554 20 5 BFBDMO C[C@@H]1CCCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027503 969344873 /nfs/dbraw/zinc/34/48/73/969344873.db2.gz QRBNKXKUVFAVGW-AGIUHOORSA-N 1 1 240.347 2.696 20 5 BFBDMO C[N@@H+](CC1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040107 969355513 /nfs/dbraw/zinc/35/55/13/969355513.db2.gz XXTZLBMVFDLCBP-OLZOCXBDSA-N 1 1 240.347 2.554 20 5 BFBDMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038985 969357077 /nfs/dbraw/zinc/35/70/77/969357077.db2.gz MDWQTJLUQRFOHM-ZYHUDNBSSA-N 1 1 228.336 2.552 20 5 BFBDMO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169038270 969357928 /nfs/dbraw/zinc/35/79/28/969357928.db2.gz XOIUVCQHBJJPIO-FVCCEPFGSA-N 1 1 240.347 2.552 20 5 BFBDMO CCC(CC)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038984 969358283 /nfs/dbraw/zinc/35/82/83/969358283.db2.gz MDWQTJLUQRFOHM-PWSUYJOCSA-N 1 1 228.336 2.552 20 5 BFBDMO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044564 969359894 /nfs/dbraw/zinc/35/98/94/969359894.db2.gz IKDDBXDZYDYDCZ-AGIUHOORSA-N 1 1 240.347 2.552 20 5 BFBDMO CCCC[N@@H+](CCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023257 969363576 /nfs/dbraw/zinc/36/35/76/969363576.db2.gz DVDJTRYHDQWJRK-STQMWFEESA-N 1 1 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CC[C@H]1CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292777009 385723560 /nfs/dbraw/zinc/72/35/60/385723560.db2.gz KYNLMUCKLIEDFI-LBPRGKRZSA-N 1 1 234.299 2.888 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3CCC2CC3)c1 ZINC000367396931 386505979 /nfs/dbraw/zinc/50/59/79/386505979.db2.gz OQEQEOSUQAIJHW-UHFFFAOYSA-N 1 1 246.310 2.969 20 5 BFBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000192969899 388127452 /nfs/dbraw/zinc/12/74/52/388127452.db2.gz DMJLLNRIIBDUMW-UHFFFAOYSA-N 1 1 222.288 2.825 20 5 BFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000143739574 388266393 /nfs/dbraw/zinc/26/63/93/388266393.db2.gz XBPWHZIAPAXIJN-UHFFFAOYSA-N 1 1 238.262 2.718 20 5 BFBDMO O=[N+]([O-])c1cccc(Cn2cc[nH+]c2C2CC2)c1 ZINC000600610016 388352175 /nfs/dbraw/zinc/35/21/75/388352175.db2.gz CMIXVDXJJFUMKZ-UHFFFAOYSA-N 1 1 243.266 2.717 20 5 BFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000352542928 388361828 /nfs/dbraw/zinc/36/18/28/388361828.db2.gz ABYWDPNKJKLAGC-UHFFFAOYSA-N 1 1 248.326 2.869 20 5 BFBDMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000595505380 388387295 /nfs/dbraw/zinc/38/72/95/388387295.db2.gz QKKYGPAKJLJFPK-RKDXNWHRSA-N 1 1 238.262 2.574 20 5 BFBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000595505380 388387298 /nfs/dbraw/zinc/38/72/98/388387298.db2.gz QKKYGPAKJLJFPK-RKDXNWHRSA-N 1 1 238.262 2.574 20 5 BFBDMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595505377 388387303 /nfs/dbraw/zinc/38/73/03/388387303.db2.gz QKKYGPAKJLJFPK-BDAKNGLRSA-N 1 1 238.262 2.574 20 5 BFBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595505377 388387305 /nfs/dbraw/zinc/38/73/05/388387305.db2.gz QKKYGPAKJLJFPK-BDAKNGLRSA-N 1 1 238.262 2.574 20 5 BFBDMO Cc1c(C[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000174419512 388440484 /nfs/dbraw/zinc/44/04/84/388440484.db2.gz QMBRMWWDKFNDRN-SNVBAGLBSA-N 1 1 234.299 2.888 20 5 BFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000489501724 388741828 /nfs/dbraw/zinc/74/18/28/388741828.db2.gz VIVLOWMJSVUFPT-CYBMUJFWSA-N 1 1 248.326 2.868 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426456815 388710976 /nfs/dbraw/zinc/71/09/76/388710976.db2.gz XACOUCSRSLRATQ-OCCSQVGLSA-N 1 1 246.310 2.969 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426462231 388711406 /nfs/dbraw/zinc/71/14/06/388711406.db2.gz QKJVGZBADLQMMI-TZMCWYRMSA-N 1 1 246.310 2.969 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426462230 388711477 /nfs/dbraw/zinc/71/14/77/388711477.db2.gz QKJVGZBADLQMMI-OCCSQVGLSA-N 1 1 246.310 2.969 20 5 BFBDMO CCCc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000070424244 388729788 /nfs/dbraw/zinc/72/97/88/388729788.db2.gz NGNFTTGDKAQXIC-UHFFFAOYSA-N 1 1 245.282 2.792 20 5 BFBDMO CC[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285414451 388835099 /nfs/dbraw/zinc/83/50/99/388835099.db2.gz VEGJHYYJVADIHK-LLVKDONJSA-N 1 1 236.315 2.868 20 5 BFBDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172949669 168013592 /nfs/dbraw/zinc/01/35/92/168013592.db2.gz HCZWHFICSFENCL-BETUJISGSA-N 1 1 246.310 2.683 20 5 BFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)C1 ZINC000266555431 176026243 /nfs/dbraw/zinc/02/62/43/176026243.db2.gz VRRZVOQMWNXRKG-MNOVXSKESA-N 1 1 234.299 2.998 20 5 BFBDMO C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352733516 176167328 /nfs/dbraw/zinc/16/73/28/176167328.db2.gz RYCXRXRATGYMNT-TXNVCOODSA-N 1 1 246.310 2.950 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177909707 176175691 /nfs/dbraw/zinc/17/56/91/176175691.db2.gz XDURKVFYQSCCHB-GHMZBOCLSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076114650 177110703 /nfs/dbraw/zinc/11/07/03/177110703.db2.gz IKFHNRIGDJJPKQ-JTQLQIEISA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123328121 177186840 /nfs/dbraw/zinc/18/68/40/177186840.db2.gz DKLPPWVMCWWYRK-PHIMTYICSA-N 1 1 234.299 2.968 20 5 BFBDMO CC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470172050 527793024 /nfs/dbraw/zinc/79/30/24/527793024.db2.gz RMNOQZGFUFDWAW-DHZHZOJOSA-N 1 1 234.299 2.950 20 5 BFBDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053330 585973008 /nfs/dbraw/zinc/97/30/08/585973008.db2.gz KWKQUYKFNKRELS-VIFPVBQESA-N 1 1 242.706 2.610 20 5 BFBDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053330 585973009 /nfs/dbraw/zinc/97/30/09/585973009.db2.gz KWKQUYKFNKRELS-VIFPVBQESA-N 1 1 242.706 2.610 20 5 BFBDMO Cc1c(C[N@H+]2CC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877562629 590360294 /nfs/dbraw/zinc/36/02/94/590360294.db2.gz YCKGKUGOUFQXLJ-CQSZACIVSA-N 1 1 246.310 2.888 20 5 BFBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028831 592135348 /nfs/dbraw/zinc/13/53/48/592135348.db2.gz YHYIWUUAXNIYBM-GHMZBOCLSA-N 1 1 249.314 2.610 20 5 BFBDMO C[C@@H]([N@@H+](C)Cc1cccnc1[N+](=O)[O-])C1(C)CC1 ZINC000886036641 592137998 /nfs/dbraw/zinc/13/79/98/592137998.db2.gz BGTCBMKXQBXWFV-SNVBAGLBSA-N 1 1 249.314 2.610 20 5 BFBDMO CC[N@@H+](CCC1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886134331 592161148 /nfs/dbraw/zinc/16/11/48/592161148.db2.gz PFVGHAUUOXCVKW-UHFFFAOYSA-N 1 1 249.314 2.612 20 5 BFBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC[N+](=O)[O-] ZINC000930602007 639817134 /nfs/dbraw/zinc/81/71/34/639817134.db2.gz YLGJLAZMJMKSLT-MBNYWOFBSA-N 1 1 248.326 2.530 20 5 BFBDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CC[N+](=O)[O-] ZINC000930602006 639817466 /nfs/dbraw/zinc/81/74/66/639817466.db2.gz YLGJLAZMJMKSLT-DYEKYZERSA-N 1 1 248.326 2.530 20 5 BFBDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])c1 ZINC000929833211 641724209 /nfs/dbraw/zinc/72/42/09/641724209.db2.gz GEHJMVWYWAEICI-AWEZNQCLSA-N 1 1 248.326 2.717 20 5 BFBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929632195 646214093 /nfs/dbraw/zinc/21/40/93/646214093.db2.gz WFYSVDWDXUMCHY-ZDUSSCGKSA-N 1 1 236.315 2.592 20 5 BFBDMO CCC[N@@H+]([C@H](C)CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008671 969332905 /nfs/dbraw/zinc/33/29/05/969332905.db2.gz TUYSTLZHCGLTRM-FRRDWIJNSA-N 1 1 242.363 2.942 20 5 BFBDMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037551 969357746 /nfs/dbraw/zinc/35/77/46/969357746.db2.gz SJKLXFLIPBSSHU-YNEHKIRRSA-N 1 1 240.347 2.696 20 5 BFBDMO CCC[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223497 975072597 /nfs/dbraw/zinc/07/25/97/975072597.db2.gz ANNPSEMLLMEWIM-LLVKDONJSA-N 1 1 236.315 2.868 20 5 BFBDMO CCC[N@@H+]([C@H](C)CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008670 969334593 /nfs/dbraw/zinc/33/45/93/969334593.db2.gz TUYSTLZHCGLTRM-AGIUHOORSA-N 1 1 242.363 2.942 20 5 BFBDMO CCC(CC)[N@@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039057 969356280 /nfs/dbraw/zinc/35/62/80/969356280.db2.gz MVOADQSAAJKUSL-YPMHNXCESA-N 1 1 242.363 2.942 20 5 BFBDMO CC(C)[N@@H+](CC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026400 969364633 /nfs/dbraw/zinc/36/46/33/969364633.db2.gz LRUSAKSDODPAFK-OLZOCXBDSA-N 1 1 240.347 2.552 20 5 BFBDMO CC[C@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047889 969366617 /nfs/dbraw/zinc/36/66/17/969366617.db2.gz SJKLXFLIPBSSHU-AGIUHOORSA-N 1 1 240.347 2.696 20 5 BFBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC001169540371 969737882 /nfs/dbraw/zinc/73/78/82/969737882.db2.gz QAQXUFVEMBIASR-GFCCVEGCSA-N 1 1 240.347 2.555 20 5 BFBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CC1 ZINC001173223972 975073099 /nfs/dbraw/zinc/07/30/99/975073099.db2.gz COCQQQJOOMUUOP-LLVKDONJSA-N 1 1 248.326 2.868 20 5 BFBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC001173230649 975076660 /nfs/dbraw/zinc/07/66/60/975076660.db2.gz ZJTGOSVXNNUWLE-JTQLQIEISA-N 1 1 234.299 2.620 20 5 BFBDMO CCCC1(CCC)CCC[N@H+]1CC[N+](=O)[O-] ZINC001197513702 982570737 /nfs/dbraw/zinc/57/07/37/982570737.db2.gz BFLJGODTSPECKM-UHFFFAOYSA-N 1 1 228.336 2.698 20 5 BFBDMO CC[C@@H](C)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321238848 992500594 /nfs/dbraw/zinc/50/05/94/992500594.db2.gz FQDYVXPCYUCGKD-SECBINFHSA-N 1 1 220.272 2.709 20 5 BFBDMO CC[C@@H](C)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321238848 992500606 /nfs/dbraw/zinc/50/06/06/992500606.db2.gz FQDYVXPCYUCGKD-SECBINFHSA-N 1 1 220.272 2.709 20 5 BFBDMO CC1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076013692 344020209 /nfs/dbraw/zinc/02/02/09/344020209.db2.gz PXCALYFRATZUNC-UHFFFAOYSA-N 1 1 234.299 2.827 20 5 BFBDMO CCC[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000047697940 343439700 /nfs/dbraw/zinc/43/97/00/343439700.db2.gz LJJVIGYXTQJJRF-UHFFFAOYSA-N 1 1 222.288 2.827 20 5 BFBDMO CC(C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610762755 344151944 /nfs/dbraw/zinc/15/19/44/344151944.db2.gz SDWKZDXEMCFWKH-UHFFFAOYSA-N 1 1 249.270 2.576 20 5 BFBDMO C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092471267 345623376 /nfs/dbraw/zinc/62/33/76/345623376.db2.gz RYCXRXRATGYMNT-FVOPLDGLSA-N 1 1 246.310 2.950 20 5 BFBDMO CC12CC(C1)C[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000595915192 348399616 /nfs/dbraw/zinc/39/96/16/348399616.db2.gz LFINSGZRBYTMFK-UHFFFAOYSA-N 1 1 238.312 2.641 20 5 BFBDMO CC12CC(C1)C[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000595915192 348399618 /nfs/dbraw/zinc/39/96/18/348399618.db2.gz LFINSGZRBYTMFK-UHFFFAOYSA-N 1 1 238.312 2.641 20 5 BFBDMO Cc1c(C[N@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595916349 348400569 /nfs/dbraw/zinc/40/05/69/348400569.db2.gz QISDOWINNIOAAL-UHFFFAOYSA-N 1 1 246.310 2.888 20 5 BFBDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000342864051 350816741 /nfs/dbraw/zinc/81/67/41/350816741.db2.gz ZOEGFPFHRXSXIR-ZDUSSCGKSA-N 1 1 234.299 2.825 20 5 BFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000267068513 354354115 /nfs/dbraw/zinc/35/41/15/354354115.db2.gz VEWUNUKECBXKNH-UHFFFAOYSA-N 1 1 240.278 2.964 20 5 BFBDMO CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000429305260 201099369 /nfs/dbraw/zinc/09/93/69/201099369.db2.gz LNKJLOJZMZWBCO-SNVBAGLBSA-N 1 1 238.262 2.718 20 5 BFBDMO CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000429305260 201099372 /nfs/dbraw/zinc/09/93/72/201099372.db2.gz LNKJLOJZMZWBCO-SNVBAGLBSA-N 1 1 238.262 2.718 20 5 BFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCCC2)c1 ZINC000037403684 363998256 /nfs/dbraw/zinc/99/82/56/363998256.db2.gz ADNIBVBCYVEKGT-UHFFFAOYSA-N 1 1 240.690 2.844 20 5 BFBDMO C[C@@H]1C[C@H]1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853498 365386124 /nfs/dbraw/zinc/38/61/24/365386124.db2.gz NMCFIBROVCFNDS-PWSUYJOCSA-N 1 1 246.310 2.609 20 5 BFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CC1 ZINC000077194485 370399591 /nfs/dbraw/zinc/39/95/91/370399591.db2.gz YOIORIOJEFUYAA-JTQLQIEISA-N 1 1 234.299 2.998 20 5 BFBDMO CC1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000077382797 370414336 /nfs/dbraw/zinc/41/43/36/370414336.db2.gz LKIZTTSTTWMFIS-UHFFFAOYSA-N 1 1 234.299 2.969 20 5 BFBDMO O=[N+]([O-])c1cc(Cn2cc[nH+]c2C2CC2)cs1 ZINC000600611675 371688547 /nfs/dbraw/zinc/68/85/47/371688547.db2.gz TUKLYLSPYMLWDI-UHFFFAOYSA-N 1 1 249.295 2.779 20 5 BFBDMO CCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000127526924 169065155 /nfs/dbraw/zinc/06/51/55/169065155.db2.gz RCDSMFMTGFOKTE-SOFGYWHQSA-N 1 1 234.299 2.950 20 5 BFBDMO CCC[N@@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000299407773 169122826 /nfs/dbraw/zinc/12/28/26/169122826.db2.gz YLZUTVUTSNQULH-UHFFFAOYSA-N 1 1 236.315 2.869 20 5 BFBDMO CCC[N@@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000299405367 169129320 /nfs/dbraw/zinc/12/93/20/169129320.db2.gz XJCNMRGGTIFAKD-UHFFFAOYSA-N 1 1 228.317 2.888 20 5 BFBDMO C[C@H](CF)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000288569121 383906384 /nfs/dbraw/zinc/90/63/84/383906384.db2.gz ZMMZSKJMIPOQAO-SSDOTTSWSA-N 1 1 246.669 2.696 20 5 BFBDMO C[C@H](CF)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000309742052 384169562 /nfs/dbraw/zinc/16/95/62/384169562.db2.gz IAVQPJUROQCTNN-SSDOTTSWSA-N 1 1 246.669 2.696 20 5 BFBDMO CC(C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285281759 384438601 /nfs/dbraw/zinc/43/86/01/384438601.db2.gz JNJNKXIAVYCKCG-UHFFFAOYSA-N 1 1 236.315 2.725 20 5 BFBDMO CC[C@H]1CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292404132 385698902 /nfs/dbraw/zinc/69/89/02/385698902.db2.gz LLEFAOWRSHAJLX-NSHDSACASA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248366876 386568295 /nfs/dbraw/zinc/56/82/95/386568295.db2.gz SQMKDMDRSGMRQA-MNOVXSKESA-N 1 1 234.299 2.825 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186624191 387025152 /nfs/dbraw/zinc/02/51/52/387025152.db2.gz UVNIJKOZNFJWTR-UHFFFAOYSA-N 1 1 246.310 2.971 20 5 BFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000519711134 387510397 /nfs/dbraw/zinc/51/03/97/387510397.db2.gz IYQIDCBXXVUTGV-UHFFFAOYSA-N 1 1 228.317 2.887 20 5 BFBDMO Cc1ccc[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000049942930 387789216 /nfs/dbraw/zinc/78/92/16/387789216.db2.gz NYBBZVKUXZIRRK-UHFFFAOYSA-N 1 1 243.266 2.910 20 5 BFBDMO Cc1ccc(NCc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000049942912 387789650 /nfs/dbraw/zinc/78/96/50/387789650.db2.gz XOYDDFYFTMFEFF-UHFFFAOYSA-N 1 1 243.266 2.910 20 5 BFBDMO CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774171 388378042 /nfs/dbraw/zinc/37/80/42/388378042.db2.gz YTSUZVBKLWSOBC-UHFFFAOYSA-N 1 1 240.278 2.966 20 5 BFBDMO C[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174414225 388440101 /nfs/dbraw/zinc/44/01/01/388440101.db2.gz IKHRUKKWFSSRHT-VIFPVBQESA-N 1 1 238.262 2.718 20 5 BFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]2C2CC2)cs1 ZINC000449427315 388750012 /nfs/dbraw/zinc/75/00/12/388750012.db2.gz RRPIXGRTYWJGEL-JTQLQIEISA-N 1 1 238.312 2.641 20 5 BFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]2C2CC2)cs1 ZINC000449427315 388750014 /nfs/dbraw/zinc/75/00/14/388750014.db2.gz RRPIXGRTYWJGEL-JTQLQIEISA-N 1 1 238.312 2.641 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426456812 388710639 /nfs/dbraw/zinc/71/06/39/388710639.db2.gz XACOUCSRSLRATQ-GXTWGEPZSA-N 1 1 246.310 2.969 20 5 BFBDMO CC[C@@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000068451180 388712187 /nfs/dbraw/zinc/71/21/87/388712187.db2.gz ZEFSBELQCHCLRF-LLVKDONJSA-N 1 1 236.315 2.868 20 5 BFBDMO CCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528123 388817783 /nfs/dbraw/zinc/81/77/83/388817783.db2.gz URABVFHLFZRGGH-UHFFFAOYSA-N 1 1 236.315 2.869 20 5 BFBDMO CC(C)=CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153135359 388942482 /nfs/dbraw/zinc/94/24/82/388942482.db2.gz KKQYYESWXPZUHD-UHFFFAOYSA-N 1 1 246.310 2.919 20 5 BFBDMO CC(C)=CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153135359 388942484 /nfs/dbraw/zinc/94/24/84/388942484.db2.gz KKQYYESWXPZUHD-UHFFFAOYSA-N 1 1 246.310 2.919 20 5 BFBDMO CCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255588949 135130186 /nfs/dbraw/zinc/13/01/86/135130186.db2.gz RCDSMFMTGFOKTE-VURMDHGXSA-N 1 1 234.299 2.950 20 5 BFBDMO CC1(C)[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000172968016 168013771 /nfs/dbraw/zinc/01/37/71/168013771.db2.gz CBLDWOXVEXHHAC-TXEJJXNPSA-N 1 1 246.310 2.683 20 5 BFBDMO CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000292875171 171024268 /nfs/dbraw/zinc/02/42/68/171024268.db2.gz WXANMZMBOPBFOD-GFCCVEGCSA-N 1 1 234.299 2.888 20 5 BFBDMO C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267613637 176110003 /nfs/dbraw/zinc/11/00/03/176110003.db2.gz BTOARDUNZIXPJM-SECBINFHSA-N 1 1 238.262 2.718 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350832527 176174419 /nfs/dbraw/zinc/17/44/19/176174419.db2.gz NUHMKVCVBQLDJN-SECBINFHSA-N 1 1 238.262 2.576 20 5 BFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000791053010 583385507 /nfs/dbraw/zinc/38/55/07/583385507.db2.gz RSORVQWEIFRZGD-AWEZNQCLSA-N 1 1 248.326 2.533 20 5 BFBDMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554543 586261929 /nfs/dbraw/zinc/26/19/29/586261929.db2.gz KGNBYCOFLKBDLT-IUCAKERBSA-N 1 1 238.262 2.717 20 5 BFBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000816649226 586751175 /nfs/dbraw/zinc/75/11/75/586751175.db2.gz VYOUZDUPTZQSMA-LWSHCTJVSA-N 1 1 246.310 2.948 20 5 BFBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885965112 592116868 /nfs/dbraw/zinc/11/68/68/592116868.db2.gz JLZNSZKVRIHEDT-LBPRGKRZSA-N 1 1 249.314 2.610 20 5 BFBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CCCC1 ZINC000885973194 592119368 /nfs/dbraw/zinc/11/93/68/592119368.db2.gz QBGVNLPSNWSYCQ-UHFFFAOYSA-N 1 1 249.314 2.612 20 5 BFBDMO C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886019582 592132607 /nfs/dbraw/zinc/13/26/07/592132607.db2.gz XFCPDTZIENLUCF-GHMZBOCLSA-N 1 1 249.314 2.610 20 5 BFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886333014 592211322 /nfs/dbraw/zinc/21/13/22/592211322.db2.gz BNHQRIDCXQDEPP-MXWKQRLJSA-N 1 1 232.283 2.608 20 5 BFBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000791054204 635763575 /nfs/dbraw/zinc/76/35/75/635763575.db2.gz YMVNZWGVMIHLOG-UHFFFAOYSA-N 1 1 248.326 2.565 20 5 BFBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000930700001 639865826 /nfs/dbraw/zinc/86/58/26/639865826.db2.gz MDYKLDBAKVVUQN-UONOGXRCSA-N 1 1 248.326 2.531 20 5 BFBDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000930923386 639991007 /nfs/dbraw/zinc/99/10/07/639991007.db2.gz PHMPEOQDDDYTBK-CYBMUJFWSA-N 1 1 248.326 2.717 20 5 BFBDMO Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000715078064 712506425 /nfs/dbraw/zinc/50/64/25/712506425.db2.gz WJPQBIUMOADAOL-UHFFFAOYSA-N 1 1 249.245 2.596 20 5 BFBDMO CCc1[nH+]c(C)cn1Cc1ccccc1[N+](=O)[O-] ZINC000715141158 712512110 /nfs/dbraw/zinc/51/21/10/712512110.db2.gz NRHJFQBIITUTAY-UHFFFAOYSA-N 1 1 245.282 2.710 20 5 BFBDMO CCC[N@@H+](CC1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009658 969335563 /nfs/dbraw/zinc/33/55/63/969335563.db2.gz WXHPVJKQQRCISU-QWHCGFSZSA-N 1 1 240.347 2.554 20 5 BFBDMO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169030273 969350800 /nfs/dbraw/zinc/35/08/00/969350800.db2.gz XTQBWTURNFPNJP-MROQNXINSA-N 1 1 240.347 2.552 20 5 BFBDMO CC(C)CC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC001167902784 961662522 /nfs/dbraw/zinc/66/25/22/961662522.db2.gz ABMVJSVSDHUCNA-LBPRGKRZSA-N 1 1 228.336 2.554 20 5 BFBDMO CCC[N@@H+]([C@H](C)CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008672 969334149 /nfs/dbraw/zinc/33/41/49/969334149.db2.gz TUYSTLZHCGLTRM-JHJVBQTASA-N 1 1 242.363 2.942 20 5 BFBDMO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169030274 969351521 /nfs/dbraw/zinc/35/15/21/969351521.db2.gz XTQBWTURNFPNJP-YVECIDJPSA-N 1 1 240.347 2.552 20 5 BFBDMO CCCC[N@@H+](CCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023254 969364584 /nfs/dbraw/zinc/36/45/84/969364584.db2.gz DVDJTRYHDQWJRK-CHWSQXEVSA-N 1 1 242.363 2.944 20 5 BFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)C1 ZINC001254553551 969737312 /nfs/dbraw/zinc/73/73/12/969737312.db2.gz XGYLBXPCRWPKAU-NWDGAFQWSA-N 1 1 248.326 2.868 20 5 BFBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254601194 969745645 /nfs/dbraw/zinc/74/56/45/969745645.db2.gz VPPVEZQBAKWCNQ-CYBMUJFWSA-N 1 1 248.326 2.792 20 5 BFBDMO Cc1c(C[N@@H+]2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293429241 398194342 /nfs/dbraw/zinc/19/43/42/398194342.db2.gz NPKDQTPOZYSJRG-GXSJLCMTSA-N 1 1 234.299 2.743 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893196 398309529 /nfs/dbraw/zinc/30/95/29/398309529.db2.gz GEJJZLVNPJTYJU-MNOVXSKESA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000524893198 398309582 /nfs/dbraw/zinc/30/95/82/398309582.db2.gz GEJJZLVNPJTYJU-WDEREUQCSA-N 1 1 234.299 2.825 20 5 BFBDMO Cc1ccoc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000135154454 343953898 /nfs/dbraw/zinc/95/38/98/343953898.db2.gz OHGSVTCYDGYHAD-UHFFFAOYSA-N 1 1 246.266 2.786 20 5 BFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC=CCC1 ZINC000611517429 344747574 /nfs/dbraw/zinc/74/75/74/344747574.db2.gz AVRGDCXPFCHCQG-LLVKDONJSA-N 1 1 232.283 2.918 20 5 BFBDMO CC(C)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605399 345543557 /nfs/dbraw/zinc/54/35/57/345543557.db2.gz BOKZIHYRBGJPSY-UHFFFAOYSA-N 1 1 248.326 2.999 20 5 BFBDMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093503476 345674681 /nfs/dbraw/zinc/67/46/81/345674681.db2.gz SGMNVCYEJQWILP-TXEJJXNPSA-N 1 1 248.326 2.991 20 5 BFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCCCC1 ZINC000595291712 348213940 /nfs/dbraw/zinc/21/39/40/348213940.db2.gz QMBSOSGTGNTESC-UHFFFAOYSA-N 1 1 238.262 2.720 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807568 348349071 /nfs/dbraw/zinc/34/90/71/348349071.db2.gz KNUQEHXJJGUJQM-RAIGVLPGSA-N 1 1 246.310 2.998 20 5 BFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000597224146 348694456 /nfs/dbraw/zinc/69/44/56/348694456.db2.gz YUHBNWDUQXAWRA-AAEUAGOBSA-N 1 1 246.310 2.745 20 5 BFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CC1 ZINC000072578678 351281733 /nfs/dbraw/zinc/28/17/33/351281733.db2.gz FNYSFOLZUWSKCI-SNVBAGLBSA-N 1 1 234.299 2.998 20 5 BFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600193130 351421400 /nfs/dbraw/zinc/42/14/00/351421400.db2.gz VOIYFJSHUKNWNO-VFWWJLHSSA-N 1 1 244.294 2.560 20 5 BFBDMO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000052926100 353133978 /nfs/dbraw/zinc/13/39/78/353133978.db2.gz UYKYPEKKPBPKDD-UHFFFAOYSA-N 1 1 246.266 2.786 20 5 BFBDMO Cc1c(C[N@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000065961441 361083344 /nfs/dbraw/zinc/08/33/44/361083344.db2.gz BIRCXXDZARMFMA-UHFFFAOYSA-N 1 1 236.315 2.991 20 5 BFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccco1 ZINC000183421978 367022352 /nfs/dbraw/zinc/02/23/52/367022352.db2.gz IBMFSHJLCHNRIO-UHFFFAOYSA-N 1 1 246.266 2.786 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CC1 ZINC000077194486 370399964 /nfs/dbraw/zinc/39/99/64/370399964.db2.gz YOIORIOJEFUYAA-SNVBAGLBSA-N 1 1 234.299 2.998 20 5 BFBDMO C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415670 371631261 /nfs/dbraw/zinc/63/12/61/371631261.db2.gz OPFJKWKNLFZJDX-ZYHUDNBSSA-N 1 1 246.310 2.609 20 5 BFBDMO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174250416 374156081 /nfs/dbraw/zinc/15/60/81/374156081.db2.gz AJDHQHKETPEGDQ-UHFFFAOYSA-N 1 1 234.299 2.827 20 5 BFBDMO CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000310401002 169129934 /nfs/dbraw/zinc/12/99/34/169129934.db2.gz GQOKDJOEXCIABG-UHFFFAOYSA-N 1 1 240.278 2.966 20 5 BFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171679812 169175420 /nfs/dbraw/zinc/17/54/20/169175420.db2.gz OJFPXKWNPJWQNB-UHFFFAOYSA-N 1 1 234.299 2.969 20 5 BFBDMO C[C@H]1C[C@H]1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000573018276 384231290 /nfs/dbraw/zinc/23/12/90/384231290.db2.gz IAJJYKMJLNTHMD-AAEUAGOBSA-N 1 1 248.326 2.725 20 5 BFBDMO C[N@@H+](CCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000135293451 384431602 /nfs/dbraw/zinc/43/16/02/384431602.db2.gz XPRWDKBBPDJEJJ-UHFFFAOYSA-N 1 1 240.328 2.888 20 5 BFBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000135294095 384681304 /nfs/dbraw/zinc/68/13/04/384681304.db2.gz XSNMRMRQRBJQMV-UHFFFAOYSA-N 1 1 248.326 2.869 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000248347826 384786370 /nfs/dbraw/zinc/78/63/70/384786370.db2.gz NVOKELIKMCTFQL-BDAKNGLRSA-N 1 1 240.328 2.887 20 5 BFBDMO Cc1occc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000321252955 385080561 /nfs/dbraw/zinc/08/05/61/385080561.db2.gz OTKHNNIPXWLEHP-UHFFFAOYSA-N 1 1 246.266 2.786 20 5 BFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111298265 385502340 /nfs/dbraw/zinc/50/23/40/385502340.db2.gz FHRCDZKRWRKESX-UHFFFAOYSA-N 1 1 248.326 2.869 20 5 BFBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000266923876 386716004 /nfs/dbraw/zinc/71/60/04/386716004.db2.gz QBBLRJKLQCNGSZ-UHFFFAOYSA-N 1 1 240.690 2.842 20 5 BFBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000266923876 386716012 /nfs/dbraw/zinc/71/60/12/386716012.db2.gz QBBLRJKLQCNGSZ-UHFFFAOYSA-N 1 1 240.690 2.842 20 5 BFBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595505378 388387576 /nfs/dbraw/zinc/38/75/76/388387576.db2.gz QKKYGPAKJLJFPK-DTWKUNHWSA-N 1 1 238.262 2.574 20 5 BFBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595505378 388387577 /nfs/dbraw/zinc/38/75/77/388387577.db2.gz QKKYGPAKJLJFPK-DTWKUNHWSA-N 1 1 238.262 2.574 20 5 BFBDMO CCC1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000297511849 388633894 /nfs/dbraw/zinc/63/38/94/388633894.db2.gz XGPAIJGCZLPWOW-UHFFFAOYSA-N 1 1 234.299 2.827 20 5 BFBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(CC2)C1 ZINC000449370994 388747609 /nfs/dbraw/zinc/74/76/09/388747609.db2.gz PDNJTZIPUKTIFC-HYXAFXHYSA-N 1 1 244.294 2.704 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000449427308 388748846 /nfs/dbraw/zinc/74/88/46/388748846.db2.gz RPTCSIPAADYLKI-ZDUSSCGKSA-N 1 1 232.283 2.579 20 5 BFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489436611 388726303 /nfs/dbraw/zinc/72/63/03/388726303.db2.gz YDBDKWWRZVTOJP-LBPRGKRZSA-N 1 1 234.299 2.825 20 5 BFBDMO CCCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000070535661 388730792 /nfs/dbraw/zinc/73/07/92/388730792.db2.gz ICBFYEFRYNELHO-UHFFFAOYSA-N 1 1 245.282 2.792 20 5 BFBDMO CCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153127636 388941800 /nfs/dbraw/zinc/94/18/00/388941800.db2.gz QWDLMHCNMATPJF-UHFFFAOYSA-N 1 1 234.299 2.753 20 5 BFBDMO CC(C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153184952 388947524 /nfs/dbraw/zinc/94/75/24/388947524.db2.gz FILMESHZJPUTGK-UHFFFAOYSA-N 1 1 234.299 2.609 20 5 BFBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177868108 134303582 /nfs/dbraw/zinc/30/35/82/134303582.db2.gz DZEWYGRYBVKGDG-VXGBXAGGSA-N 1 1 248.326 2.868 20 5 BFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000255397330 135130079 /nfs/dbraw/zinc/13/00/79/135130079.db2.gz FGXZPIFLKMCLBJ-XQRVVYSFSA-N 1 1 246.310 2.950 20 5 BFBDMO CC1=CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280965410 168100809 /nfs/dbraw/zinc/10/08/09/168100809.db2.gz ZMJMUAAYNIETCJ-UHFFFAOYSA-N 1 1 232.283 2.747 20 5 BFBDMO CC[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000337211134 171307670 /nfs/dbraw/zinc/30/76/70/171307670.db2.gz DGHMMEPRPFDWCE-JTQLQIEISA-N 1 1 222.288 2.825 20 5 BFBDMO C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076114646 176110146 /nfs/dbraw/zinc/11/01/46/176110146.db2.gz IKFHNRIGDJJPKQ-SNVBAGLBSA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248344160 177165858 /nfs/dbraw/zinc/16/58/58/177165858.db2.gz LFWSDDRKJXRVCB-QWRGUYRKSA-N 1 1 234.299 2.825 20 5 BFBDMO CC1(C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000536680853 323200836 /nfs/dbraw/zinc/20/08/36/323200836.db2.gz CRCDKJQOCZOJQG-UHFFFAOYSA-N 1 1 220.272 2.579 20 5 BFBDMO CC[NH+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465354 323250317 /nfs/dbraw/zinc/25/03/17/323250317.db2.gz CNDFMQPCIBOOBX-UHFFFAOYSA-N 1 1 226.251 2.576 20 5 BFBDMO C/C=C\C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089967 583945979 /nfs/dbraw/zinc/94/59/79/583945979.db2.gz IWDVXRREWTUTHD-ZBJFTSOASA-N 1 1 238.262 2.961 20 5 BFBDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC[N+](=O)[O-] ZINC000791052674 585972768 /nfs/dbraw/zinc/97/27/68/585972768.db2.gz AHHODJSIJZKEJM-JTQLQIEISA-N 1 1 248.282 2.702 20 5 BFBDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791052674 585972769 /nfs/dbraw/zinc/97/27/69/585972769.db2.gz AHHODJSIJZKEJM-JTQLQIEISA-N 1 1 248.282 2.702 20 5 BFBDMO Cc1c(C[NH+]2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000877717538 590399450 /nfs/dbraw/zinc/39/94/50/590399450.db2.gz KVEQRUBLWBVCOU-UHFFFAOYSA-N 1 1 234.299 2.745 20 5 BFBDMO CCCC[N@@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000885933298 592110181 /nfs/dbraw/zinc/11/01/81/592110181.db2.gz PWIOYYFNMXMIJO-UHFFFAOYSA-N 1 1 237.303 2.612 20 5 BFBDMO CC(C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885951936 592113791 /nfs/dbraw/zinc/11/37/91/592113791.db2.gz RYJNVJDJUOBMMC-UHFFFAOYSA-N 1 1 249.314 2.610 20 5 BFBDMO C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885967070 592118379 /nfs/dbraw/zinc/11/83/79/592118379.db2.gz GWWJAGQOIIPVKP-LLVKDONJSA-N 1 1 249.314 2.612 20 5 BFBDMO CC[C@@]1(C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039046 592139395 /nfs/dbraw/zinc/13/93/95/592139395.db2.gz HANJVLKILBEVEE-ZDUSSCGKSA-N 1 1 249.314 2.612 20 5 BFBDMO CC1=C(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886183844 592172071 /nfs/dbraw/zinc/17/20/71/592172071.db2.gz OHYDBQYWZZXCGX-UHFFFAOYSA-N 1 1 247.298 2.532 20 5 BFBDMO CC1=C(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886183844 592172073 /nfs/dbraw/zinc/17/20/73/592172073.db2.gz OHYDBQYWZZXCGX-UHFFFAOYSA-N 1 1 247.298 2.532 20 5 BFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346814 592213381 /nfs/dbraw/zinc/21/33/81/592213381.db2.gz RPNRJWPWFUDOCG-UTUOFQBUSA-N 1 1 246.310 2.916 20 5 BFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346812 592213663 /nfs/dbraw/zinc/21/36/63/592213663.db2.gz RPNRJWPWFUDOCG-SDDRHHMPSA-N 1 1 246.310 2.916 20 5 BFBDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000932274517 635639555 /nfs/dbraw/zinc/63/95/55/635639555.db2.gz IENITMZVQVMVOR-TZMCWYRMSA-N 1 1 248.326 2.531 20 5 BFBDMO C[C@@H](C1CC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353050 639721628 /nfs/dbraw/zinc/72/16/28/639721628.db2.gz FBVJYRGVOXCIBK-NSHDSACASA-N 1 1 248.326 2.868 20 5 BFBDMO CC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170915579 640938568 /nfs/dbraw/zinc/93/85/68/640938568.db2.gz ZIINEKDLEBMWQJ-SECBINFHSA-N 1 1 240.278 2.964 20 5 BFBDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC[N+](=O)[O-] ZINC000929384476 646106105 /nfs/dbraw/zinc/10/61/05/646106105.db2.gz GEEXZXZKSRIMOC-CYBMUJFWSA-N 1 1 236.315 2.736 20 5 BFBDMO CCc1[nH+]ccn1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000714030043 712477393 /nfs/dbraw/zinc/47/73/93/712477393.db2.gz XELCEBOGRTZXAQ-UHFFFAOYSA-N 1 1 245.282 2.710 20 5 BFBDMO CCCC[N@@H+](CCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023255 969366832 /nfs/dbraw/zinc/36/68/32/969366832.db2.gz DVDJTRYHDQWJRK-OLZOCXBDSA-N 1 1 242.363 2.944 20 5 BFBDMO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC=[NH2+] ZINC001167867594 961354288 /nfs/dbraw/zinc/35/42/88/961354288.db2.gz LYMZHZDAIHTVLT-UHFFFAOYSA-N 1 1 243.650 2.584 20 5 BFBDMO CC(C)CC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC001167902781 961668277 /nfs/dbraw/zinc/66/82/77/961668277.db2.gz ABMVJSVSDHUCNA-GFCCVEGCSA-N 1 1 228.336 2.554 20 5 BFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC001168184064 963939295 /nfs/dbraw/zinc/93/92/95/963939295.db2.gz KHPBESUKUHVZMD-ZDUSSCGKSA-N 1 1 240.347 2.698 20 5 BFBDMO CCC[N@@H+]([C@H](C)CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008673 969335621 /nfs/dbraw/zinc/33/56/21/969335621.db2.gz TUYSTLZHCGLTRM-UPJWGTAASA-N 1 1 242.363 2.942 20 5 BFBDMO Cc1cccc(Nc2ccc(N)c([N+](=O)[O-])c2)[nH+]1 ZINC001209932246 969697269 /nfs/dbraw/zinc/69/72/69/969697269.db2.gz LDVRTHGYZRETFK-UHFFFAOYSA-N 1 1 244.254 2.624 20 5 BFBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC001169540372 969738691 /nfs/dbraw/zinc/73/86/91/969738691.db2.gz QAQXUFVEMBIASR-LBPRGKRZSA-N 1 1 240.347 2.555 20 5 BFBDMO CC[C@@H](C)[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594328 969744628 /nfs/dbraw/zinc/74/46/28/969744628.db2.gz PQOZWGSHVPOOEI-QMTHXVAHSA-N 1 1 248.326 2.792 20 5 BFBDMO CCC[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223499 975073564 /nfs/dbraw/zinc/07/35/64/975073564.db2.gz ANNPSEMLLMEWIM-NSHDSACASA-N 1 1 236.315 2.868 20 5 BFBDMO CC[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC001473403212 987425563 /nfs/dbraw/zinc/42/55/63/987425563.db2.gz SLSQXGYXMYNKDP-GHMZBOCLSA-N 1 1 249.314 2.610 20 5 BFBDMO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001119434337 989067405 /nfs/dbraw/zinc/06/74/05/989067405.db2.gz CQRUHXUPYZBVFO-UHFFFAOYSA-N 1 1 249.314 2.610 20 5 BFBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001119434337 989067414 /nfs/dbraw/zinc/06/74/14/989067414.db2.gz CQRUHXUPYZBVFO-UHFFFAOYSA-N 1 1 249.314 2.610 20 5 BFBDMO CC(C)[C@H]1CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000342859487 398162775 /nfs/dbraw/zinc/16/27/75/398162775.db2.gz GGYCQUKYHYBGNT-SNVBAGLBSA-N 1 1 240.328 2.887 20 5 BFBDMO CC(C)[C@H]1CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000342859487 398162778 /nfs/dbraw/zinc/16/27/78/398162778.db2.gz GGYCQUKYHYBGNT-SNVBAGLBSA-N 1 1 240.328 2.887 20 5 BFBDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293429245 398194371 /nfs/dbraw/zinc/19/43/71/398194371.db2.gz NPKDQTPOZYSJRG-KOLCDFICSA-N 1 1 234.299 2.743 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339587770 398332737 /nfs/dbraw/zinc/33/27/37/398332737.db2.gz UDXYNKGDERHRSE-WDEREUQCSA-N 1 1 238.262 2.575 20 5 BFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133319 343659654 /nfs/dbraw/zinc/65/96/54/343659654.db2.gz DHMOOQQSPFWUCR-GHMZBOCLSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC=CCC1 ZINC000611517183 344747778 /nfs/dbraw/zinc/74/77/78/344747778.db2.gz 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ZINC000595561643 348281105 /nfs/dbraw/zinc/28/11/05/348281105.db2.gz KMTPLBGPSHEIFO-JSGCOSHPSA-N 1 1 246.310 2.969 20 5 BFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC3CCC3)c2c1 ZINC000601112802 371727502 /nfs/dbraw/zinc/72/75/02/371727502.db2.gz FRWFJCQGCHCUIS-UHFFFAOYSA-N 1 1 243.266 2.529 20 5 BFBDMO O=[N+]([O-])c1ccc(Cn2cc[nH+]c2C2CC2)cc1 ZINC000600610647 371688066 /nfs/dbraw/zinc/68/80/66/371688066.db2.gz JDPVTDFWSFPFPK-UHFFFAOYSA-N 1 1 243.266 2.717 20 5 BFBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000133302863 372018584 /nfs/dbraw/zinc/01/85/84/372018584.db2.gz GNBUAFUZCINGBP-UHFFFAOYSA-N 1 1 234.299 2.888 20 5 BFBDMO CCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103471233 169080083 /nfs/dbraw/zinc/08/00/83/169080083.db2.gz JAVQZQDFLQFXQX-UHFFFAOYSA-N 1 1 226.251 2.576 20 5 BFBDMO CCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103471233 169080085 /nfs/dbraw/zinc/08/00/85/169080085.db2.gz JAVQZQDFLQFXQX-UHFFFAOYSA-N 1 1 226.251 2.576 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC12CCC2 ZINC000336527609 384234896 /nfs/dbraw/zinc/23/48/96/384234896.db2.gz FGGLADKPTUBNEQ-UHFFFAOYSA-N 1 1 232.283 2.723 20 5 BFBDMO CCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072583653 384227096 /nfs/dbraw/zinc/22/70/96/384227096.db2.gz UFFAYVFNJACYKY-JTQLQIEISA-N 1 1 222.288 2.998 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000363385441 384470963 /nfs/dbraw/zinc/47/09/63/384470963.db2.gz ZBDLCXGYOILBSX-CYBMUJFWSA-N 1 1 246.310 2.969 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000363384882 384471796 /nfs/dbraw/zinc/47/17/96/384471796.db2.gz QTLZZNQGRRKQNX-AWEZNQCLSA-N 1 1 246.310 2.969 20 5 BFBDMO CC[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000125072617 384884442 /nfs/dbraw/zinc/88/44/42/384884442.db2.gz FIYQZXFTZDNDBL-NSHDSACASA-N 1 1 234.299 2.827 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1CF ZINC000292983550 385729805 /nfs/dbraw/zinc/72/98/05/385729805.db2.gz HORZZQQQCRTMCL-LLVKDONJSA-N 1 1 238.262 2.529 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1CF ZINC000292983550 385729809 /nfs/dbraw/zinc/72/98/09/385729809.db2.gz HORZZQQQCRTMCL-LLVKDONJSA-N 1 1 238.262 2.529 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CF)cc1 ZINC000293147562 385736938 /nfs/dbraw/zinc/73/69/38/385736938.db2.gz UCVIUIKSMQOFIU-LBPRGKRZSA-N 1 1 238.262 2.529 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CF)cc1 ZINC000293147562 385736945 /nfs/dbraw/zinc/73/69/45/385736945.db2.gz UCVIUIKSMQOFIU-LBPRGKRZSA-N 1 1 238.262 2.529 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2CF)c1 ZINC000293128052 385737842 /nfs/dbraw/zinc/73/78/42/385737842.db2.gz RYTWBWBBBUEGOV-LBPRGKRZSA-N 1 1 238.262 2.529 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2CF)c1 ZINC000293128052 385737848 /nfs/dbraw/zinc/73/78/48/385737848.db2.gz RYTWBWBBBUEGOV-LBPRGKRZSA-N 1 1 238.262 2.529 20 5 BFBDMO CCC1(C)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000297439212 386258118 /nfs/dbraw/zinc/25/81/18/386258118.db2.gz PFOHXZZZGINKHH-UHFFFAOYSA-N 1 1 234.299 2.827 20 5 BFBDMO CCc1[nH+]ccn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000572016070 386421121 /nfs/dbraw/zinc/42/11/21/386421121.db2.gz QUEYUGDBIJFYOV-UHFFFAOYSA-N 1 1 249.245 2.541 20 5 BFBDMO CC[C@H](F)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000440506272 387251255 /nfs/dbraw/zinc/25/12/55/387251255.db2.gz ZYXYQOHMJXAVHD-UWVGGRQHSA-N 1 1 240.278 2.994 20 5 BFBDMO C[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000173257757 388416952 /nfs/dbraw/zinc/41/69/52/388416952.db2.gz KDTGINGTIJRIRB-UHFFFAOYSA-N 1 1 234.299 2.827 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC000371386694 388697059 /nfs/dbraw/zinc/69/70/59/388697059.db2.gz CYJXHNJKFWAFTE-UHFFFAOYSA-N 1 1 246.310 2.969 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426462228 388711247 /nfs/dbraw/zinc/71/12/47/388711247.db2.gz QKJVGZBADLQMMI-GXTWGEPZSA-N 1 1 246.310 2.969 20 5 BFBDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000430285556 388726590 /nfs/dbraw/zinc/72/65/90/388726590.db2.gz UHULJWSVIHSSJC-LLVKDONJSA-N 1 1 246.310 2.993 20 5 BFBDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000430272037 388727426 /nfs/dbraw/zinc/72/74/26/388727426.db2.gz ZKJJWGZVIFVSGR-NSHDSACASA-N 1 1 246.310 2.993 20 5 BFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489497071 388733650 /nfs/dbraw/zinc/73/36/50/388733650.db2.gz NSNVZWICDMFXOB-SECBINFHSA-N 1 1 240.328 2.887 20 5 BFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489497071 388733653 /nfs/dbraw/zinc/73/36/53/388733653.db2.gz NSNVZWICDMFXOB-SECBINFHSA-N 1 1 240.328 2.887 20 5 BFBDMO CC[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000125072389 171011428 /nfs/dbraw/zinc/01/14/28/171011428.db2.gz FIYQZXFTZDNDBL-LLVKDONJSA-N 1 1 234.299 2.827 20 5 BFBDMO CC[C@@H]1CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000292320532 171022871 /nfs/dbraw/zinc/02/28/71/171022871.db2.gz FHJSGBUMRACIKQ-GFCCVEGCSA-N 1 1 234.299 2.622 20 5 BFBDMO CC[C@@H]1CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292487519 171024247 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C[N@@H+](CCCF)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887142482 592459040 /nfs/dbraw/zinc/45/90/40/592459040.db2.gz LQYPGIVAHGPTRF-UHFFFAOYSA-N 1 1 244.241 2.525 20 5 BFBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC000930456923 639758993 /nfs/dbraw/zinc/75/89/93/639758993.db2.gz JVEXYZDRYOWRLG-OCCSQVGLSA-N 1 1 248.326 2.736 20 5 BFBDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC000930763329 639904009 /nfs/dbraw/zinc/90/40/09/639904009.db2.gz NEVCHKUBDREGIS-CYBMUJFWSA-N 1 1 248.326 2.736 20 5 BFBDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000932274508 640470570 /nfs/dbraw/zinc/47/05/70/640470570.db2.gz IENITMZVQVMVOR-GXTWGEPZSA-N 1 1 248.326 2.531 20 5 BFBDMO CCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000195010447 642367736 /nfs/dbraw/zinc/36/77/36/642367736.db2.gz FZVUJKUUTBZFKL-UHFFFAOYSA-N 1 1 226.251 2.576 20 5 BFBDMO C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774363 644727441 /nfs/dbraw/zinc/72/74/41/644727441.db2.gz IPJFSBXAIVKBIW-SECBINFHSA-N 1 1 238.262 2.718 20 5 BFBDMO Cc1ccc([C@H]2CCCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000929702539 646254968 /nfs/dbraw/zinc/25/49/68/646254968.db2.gz HGWZOVNMXPNFFR-CQSZACIVSA-N 1 1 248.326 2.799 20 5 BFBDMO C[C@@H]1CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006935 969328729 /nfs/dbraw/zinc/32/87/29/969328729.db2.gz KJKDOZAUTZCOAO-UPJWGTAASA-N 1 1 240.347 2.554 20 5 BFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007166 969330092 /nfs/dbraw/zinc/33/00/92/969330092.db2.gz LSAZQSGURHDNPA-RNJOBUHISA-N 1 1 240.347 2.695 20 5 BFBDMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044567 969360777 /nfs/dbraw/zinc/36/07/77/969360777.db2.gz IKDDBXDZYDYDCZ-UPJWGTAASA-N 1 1 240.347 2.552 20 5 BFBDMO CC(C)[N@@H+](CC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026402 969366074 /nfs/dbraw/zinc/36/60/74/969366074.db2.gz LRUSAKSDODPAFK-STQMWFEESA-N 1 1 240.347 2.552 20 5 BFBDMO 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STRIBZDYCUPXSJ-LBPRGKRZSA-N 1 1 234.299 2.825 20 5 BFBDMO CC(C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000158706178 398333707 /nfs/dbraw/zinc/33/37/07/398333707.db2.gz LNLSAJJLIITZLE-SOFGYWHQSA-N 1 1 234.299 2.948 20 5 BFBDMO CCC[N@@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296316 348215964 /nfs/dbraw/zinc/21/59/64/348215964.db2.gz AFCOASSVDXUZMQ-UHFFFAOYSA-N 1 1 240.278 2.966 20 5 BFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810491 348349842 /nfs/dbraw/zinc/34/98/42/348349842.db2.gz YDYJVGVZCGVTNY-IJLUTSLNSA-N 1 1 246.310 2.998 20 5 BFBDMO CC(C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637818 351062895 /nfs/dbraw/zinc/06/28/95/351062895.db2.gz RDBUYSVPZYGWCA-UHFFFAOYSA-N 1 1 222.288 2.683 20 5 BFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610133346 357221331 /nfs/dbraw/zinc/22/13/31/357221331.db2.gz HUZITALRSYWEQA-RKDXNWHRSA-N 1 1 240.328 2.887 20 5 BFBDMO C[C@H]1C[C@@H]1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000580469161 359572707 /nfs/dbraw/zinc/57/27/07/359572707.db2.gz NIFKLVFEUYNAIG-WCQYABFASA-N 1 1 248.326 2.725 20 5 BFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000349975007 370841963 /nfs/dbraw/zinc/84/19/63/370841963.db2.gz NDSHEWQMTYWTSU-TXEJJXNPSA-N 1 1 248.326 2.991 20 5 BFBDMO CCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131350896 371593593 /nfs/dbraw/zinc/59/35/93/371593593.db2.gz MTTHQLOSDHGWST-UHFFFAOYSA-N 1 1 234.299 2.753 20 5 BFBDMO CC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310235279 384059899 /nfs/dbraw/zinc/05/98/99/384059899.db2.gz ADAVYUHAOPNOSW-SECBINFHSA-N 1 1 240.278 2.964 20 5 BFBDMO Cc1c(C[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000263772596 385138689 /nfs/dbraw/zinc/13/86/89/385138689.db2.gz WTNVFOSIKDNBKY-SNVBAGLBSA-N 1 1 234.299 2.745 20 5 BFBDMO CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551772 385140826 /nfs/dbraw/zinc/14/08/26/385140826.db2.gz VFRQTGNSYAAAKM-GFCCVEGCSA-N 1 1 234.299 2.794 20 5 BFBDMO Cc1cc[nH+]c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000049942920 386683527 /nfs/dbraw/zinc/68/35/27/386683527.db2.gz RIJRTCGRRNZVHC-UHFFFAOYSA-N 1 1 243.266 2.910 20 5 BFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000053435554 387020489 /nfs/dbraw/zinc/02/04/89/387020489.db2.gz JNOLAZPJYFUXEI-UHFFFAOYSA-N 1 1 234.299 2.969 20 5 BFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CCC1)CC2 ZINC000088605792 387479947 /nfs/dbraw/zinc/47/99/47/387479947.db2.gz KIYRAHUVAQTTFM-UHFFFAOYSA-N 1 1 246.310 2.753 20 5 BFBDMO Cc1c(C[N@@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000548096439 388097307 /nfs/dbraw/zinc/09/73/07/388097307.db2.gz XXVQOZFSFNHEDV-AOOOYVTPSA-N 1 1 234.299 2.886 20 5 BFBDMO CC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174830749 388443381 /nfs/dbraw/zinc/44/33/81/388443381.db2.gz NIOAIIVOGOSKFY-UHFFFAOYSA-N 1 1 228.679 2.700 20 5 BFBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000112983632 388671390 /nfs/dbraw/zinc/67/13/90/388671390.db2.gz JOJALHGWNXIZHB-UHFFFAOYSA-N 1 1 248.326 2.869 20 5 BFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078339523 388680981 /nfs/dbraw/zinc/68/09/81/388680981.db2.gz YEPTYRHYNDJXBS-UHFFFAOYSA-N 1 1 234.299 2.968 20 5 BFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000153758762 388630702 /nfs/dbraw/zinc/63/07/02/388630702.db2.gz MZYQIXHUEADMCS-GQCTYLIASA-N 1 1 232.283 2.702 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000371309747 388697307 /nfs/dbraw/zinc/69/73/07/388697307.db2.gz ZOFXJTRERMMIQC-ZDUSSCGKSA-N 1 1 246.310 2.827 20 5 BFBDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000430272036 388726987 /nfs/dbraw/zinc/72/69/87/388726987.db2.gz ZKJJWGZVIFVSGR-LLVKDONJSA-N 1 1 246.310 2.993 20 5 BFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489497072 388733568 /nfs/dbraw/zinc/73/35/68/388733568.db2.gz NSNVZWICDMFXOB-VIFPVBQESA-N 1 1 240.328 2.887 20 5 BFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489497072 388733572 /nfs/dbraw/zinc/73/35/72/388733572.db2.gz NSNVZWICDMFXOB-VIFPVBQESA-N 1 1 240.328 2.887 20 5 BFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC23CCC3)cc1 ZINC000348314742 136067875 /nfs/dbraw/zinc/06/78/75/136067875.db2.gz ADMLJFJPVALJDM-UHFFFAOYSA-N 1 1 246.310 2.766 20 5 BFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000111296437 397907390 /nfs/dbraw/zinc/90/73/90/397907390.db2.gz NPFJJWYCDJUSOA-UHFFFAOYSA-N 1 1 240.328 2.888 20 5 BFBDMO CC[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285414453 171308326 /nfs/dbraw/zinc/30/83/26/171308326.db2.gz VEGJHYYJVADIHK-NSHDSACASA-N 1 1 236.315 2.868 20 5 BFBDMO CCc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000108658089 172024947 /nfs/dbraw/zinc/02/49/47/172024947.db2.gz JZNVHUAJUPBLSZ-UHFFFAOYSA-N 1 1 245.282 2.596 20 5 BFBDMO C[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000029131354 176109375 /nfs/dbraw/zinc/10/93/75/176109375.db2.gz PFZYNGPCNCRLFU-LLVKDONJSA-N 1 1 234.299 2.622 20 5 in-vivo BFBDMO C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000174417232 176110646 /nfs/dbraw/zinc/11/06/46/176110646.db2.gz UTJGCNLQDXZJJH-MRVPVSSYSA-N 1 1 226.301 2.641 20 5 BFBDMO C[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000174417232 176110648 /nfs/dbraw/zinc/11/06/48/176110648.db2.gz UTJGCNLQDXZJJH-MRVPVSSYSA-N 1 1 226.301 2.641 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177900990 176176476 /nfs/dbraw/zinc/17/64/76/176176476.db2.gz SQMKDMDRSGMRQA-GHMZBOCLSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000177901003 177164800 /nfs/dbraw/zinc/16/48/00/177164800.db2.gz SQMKDMDRSGMRQA-WDEREUQCSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000293535510 177263652 /nfs/dbraw/zinc/26/36/52/177263652.db2.gz XJUBDQYQPZJZCM-DTWKUNHWSA-N 1 1 238.262 2.574 20 5 BFBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000293535510 177263653 /nfs/dbraw/zinc/26/36/53/177263653.db2.gz XJUBDQYQPZJZCM-DTWKUNHWSA-N 1 1 238.262 2.574 20 5 BFBDMO CCCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505603629 528360026 /nfs/dbraw/zinc/36/00/26/528360026.db2.gz QYYLRWKAGJVGAI-UHFFFAOYSA-N 1 1 240.278 2.966 20 5 BFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC1CC1)C2 ZINC000536000637 323195127 /nfs/dbraw/zinc/19/51/27/323195127.db2.gz FJPLTWYHCQREBR-UHFFFAOYSA-N 1 1 246.310 2.753 20 5 BFBDMO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348393 533713993 /nfs/dbraw/zinc/71/39/93/533713993.db2.gz MJNKDAGULOQOLX-ZYHUDNBSSA-N 1 1 234.299 2.683 20 5 BFBDMO CC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470172051 527792767 /nfs/dbraw/zinc/79/27/67/527792767.db2.gz RMNOQZGFUFDWAW-FLIBITNWSA-N 1 1 234.299 2.950 20 5 BFBDMO CCCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505603629 528360019 /nfs/dbraw/zinc/36/00/19/528360019.db2.gz QYYLRWKAGJVGAI-UHFFFAOYSA-N 1 1 240.278 2.966 20 5 BFBDMO C/C=C/C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089964 583945958 /nfs/dbraw/zinc/94/59/58/583945958.db2.gz IWDVXRREWTUTHD-CDAZIORVSA-N 1 1 238.262 2.961 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761088391 585407670 /nfs/dbraw/zinc/40/76/70/585407670.db2.gz GKLITSRXRNRGRC-XWIASGKRSA-N 1 1 232.283 2.750 20 5 BFBDMO C[C@H](C1CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000782181632 585810438 /nfs/dbraw/zinc/81/04/38/585810438.db2.gz DECKBQMFZUJUIV-SNVBAGLBSA-N 1 1 246.310 2.751 20 5 BFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C ZINC000830545616 587557104 /nfs/dbraw/zinc/55/71/04/587557104.db2.gz JVDNGQFSJHWALW-UHFFFAOYSA-N 1 1 240.278 2.964 20 5 BFBDMO CC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885943828 592111696 /nfs/dbraw/zinc/11/16/96/592111696.db2.gz DITLERMLHUCGJG-GFCCVEGCSA-N 1 1 249.314 2.754 20 5 BFBDMO CC(C)[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885965111 592116766 /nfs/dbraw/zinc/11/67/66/592116766.db2.gz JLZNSZKVRIHEDT-GFCCVEGCSA-N 1 1 249.314 2.610 20 5 BFBDMO CCC(C)(C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886068466 592143228 /nfs/dbraw/zinc/14/32/28/592143228.db2.gz YSXQQGZLKNFDSD-UHFFFAOYSA-N 1 1 237.303 2.610 20 5 BFBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000930699995 639866713 /nfs/dbraw/zinc/86/67/13/639866713.db2.gz MDYKLDBAKVVUQN-KBPBESRZSA-N 1 1 248.326 2.531 20 5 BFBDMO C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174417784 641282620 /nfs/dbraw/zinc/28/26/20/641282620.db2.gz XNFVPLUJCALNBJ-SECBINFHSA-N 1 1 238.262 2.718 20 5 BFBDMO CC[C@@H](C)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929222900 643601355 /nfs/dbraw/zinc/60/13/55/643601355.db2.gz NKGOKVZXIRSFCA-GFCCVEGCSA-N 1 1 236.315 2.564 20 5 BFBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000929383896 646105331 /nfs/dbraw/zinc/10/53/31/646105331.db2.gz YEVRVOWFMZIDQU-CQSZACIVSA-N 1 1 248.326 2.663 20 5 BFBDMO CCc1[nH+]c(C)cn1Cc1cccc([N+](=O)[O-])c1 ZINC000715140980 712512100 /nfs/dbraw/zinc/51/21/00/712512100.db2.gz KQHQIXYJUZCXAD-UHFFFAOYSA-N 1 1 245.282 2.710 20 5 BFBDMO Cc1c[nH]c(Nc2cc(C)ccc2[N+](=O)[O-])[nH+]1 ZINC001162780780 965160819 /nfs/dbraw/zinc/16/08/19/965160819.db2.gz BUQGVQGUCVCFGA-UHFFFAOYSA-N 1 1 232.243 2.678 20 5 BFBDMO CCC[N@@H+](CC(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042823 969360331 /nfs/dbraw/zinc/36/03/31/969360331.db2.gz GEYIFUGZJICGFW-CHWSQXEVSA-N 1 1 242.363 2.800 20 5 BFBDMO CC(C)[N@@H+](CC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026399 969366998 /nfs/dbraw/zinc/36/69/98/969366998.db2.gz LRUSAKSDODPAFK-CHWSQXEVSA-N 1 1 240.347 2.552 20 5 BFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC001254550117 969735409 /nfs/dbraw/zinc/73/54/09/969735409.db2.gz CWZBDWKTFKBIFZ-JTQLQIEISA-N 1 1 234.299 2.620 20 5 BFBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]1C ZINC001173223089 975075471 /nfs/dbraw/zinc/07/54/71/975075471.db2.gz XHUDLXSLFVDWRM-QWRGUYRKSA-N 1 1 234.299 2.620 20 5 BFBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC001353353120 982843657 /nfs/dbraw/zinc/84/36/57/982843657.db2.gz FKROSBAZMOTYRD-UHFFFAOYSA-N 1 1 237.303 2.610 20 5 BFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001473670585 987524539 /nfs/dbraw/zinc/52/45/39/987524539.db2.gz LPVAYWXQJFBYGC-CYBMUJFWSA-N 1 1 240.347 2.555 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293448267 398194995 /nfs/dbraw/zinc/19/49/95/398194995.db2.gz PDCWKASPPDSSNQ-OUAUKWLOSA-N 1 1 234.299 2.996 20 5 BFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C1 ZINC000273418584 178271492 /nfs/dbraw/zinc/27/14/92/178271492.db2.gz IZZXLQHXEACUCD-SNVBAGLBSA-N 1 1 234.299 2.745 20 5 BFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893195 398309546 /nfs/dbraw/zinc/30/95/46/398309546.db2.gz GEJJZLVNPJTYJU-GHMZBOCLSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000335828290 344030421 /nfs/dbraw/zinc/03/04/21/344030421.db2.gz INUKVXNHOZVWCF-RKDXNWHRSA-N 1 1 238.262 2.717 20 5 BFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000076853292 344038930 /nfs/dbraw/zinc/03/89/30/344038930.db2.gz PPQIAZJVQQEINE-UHFFFAOYSA-N 1 1 222.288 2.825 20 5 BFBDMO Cc1ccoc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000135150805 343943783 /nfs/dbraw/zinc/94/37/83/343943783.db2.gz FYKLVTVLWWPRJW-UHFFFAOYSA-N 1 1 246.266 2.786 20 5 BFBDMO CC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145066916 344356587 /nfs/dbraw/zinc/35/65/87/344356587.db2.gz FSLXLWZRBSVFPS-LBPRGKRZSA-N 1 1 234.299 2.969 20 5 BFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000078723249 344901532 /nfs/dbraw/zinc/90/15/32/344901532.db2.gz RSEACSBUGXORQA-SNVBAGLBSA-N 1 1 234.299 2.825 20 5 BFBDMO CC[C@@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000170915551 346479796 /nfs/dbraw/zinc/47/97/96/346479796.db2.gz GEBMAUPOSDLFAX-MRVPVSSYSA-N 1 1 228.317 2.887 20 5 BFBDMO CCCC[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595289855 348213331 /nfs/dbraw/zinc/21/33/31/348213331.db2.gz VURSGCMHWNLLAV-UHFFFAOYSA-N 1 1 241.291 2.513 20 5 BFBDMO CCCC[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595289855 348213336 /nfs/dbraw/zinc/21/33/36/348213336.db2.gz VURSGCMHWNLLAV-UHFFFAOYSA-N 1 1 241.291 2.513 20 5 BFBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595467563 348258721 /nfs/dbraw/zinc/25/87/21/348258721.db2.gz HWKFENYCUPTBKA-RKDXNWHRSA-N 1 1 238.262 2.717 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595562534 348281013 /nfs/dbraw/zinc/28/10/13/348281013.db2.gz PTKTYHNBXJVNPH-AAEUAGOBSA-N 1 1 246.310 2.969 20 5 BFBDMO CC(C)[C@H]1CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000342863166 350816563 /nfs/dbraw/zinc/81/65/63/350816563.db2.gz VXRHEBWXCLDUAE-CYBMUJFWSA-N 1 1 234.299 2.825 20 5 BFBDMO C[N@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000343101332 350900967 /nfs/dbraw/zinc/90/09/67/350900967.db2.gz HLFWHWIILQWPGV-UHFFFAOYSA-N 1 1 246.266 2.820 20 5 BFBDMO C[N@@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000343101332 350900971 /nfs/dbraw/zinc/90/09/71/350900971.db2.gz HLFWHWIILQWPGV-UHFFFAOYSA-N 1 1 246.266 2.820 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610133343 357221470 /nfs/dbraw/zinc/22/14/70/357221470.db2.gz HUZITALRSYWEQA-BDAKNGLRSA-N 1 1 240.328 2.887 20 5 BFBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133350 357221726 /nfs/dbraw/zinc/22/17/26/357221726.db2.gz ICQBCLVFFTUYKZ-VXGBXAGGSA-N 1 1 248.326 2.868 20 5 BFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000610133468 357222027 /nfs/dbraw/zinc/22/20/27/357222027.db2.gz RRPZRJYNCITLPK-GHMZBOCLSA-N 1 1 234.299 2.825 20 5 BFBDMO CC[C@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000170916211 134255528 /nfs/dbraw/zinc/25/55/28/134255528.db2.gz QNLHDALWXYOUIG-VIFPVBQESA-N 1 1 240.278 2.964 20 5 BFBDMO CC[C@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000170916211 134255529 /nfs/dbraw/zinc/25/55/29/134255529.db2.gz QNLHDALWXYOUIG-VIFPVBQESA-N 1 1 240.278 2.964 20 5 BFBDMO C[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174414210 134281813 /nfs/dbraw/zinc/28/18/13/134281813.db2.gz 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O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CF)cc1 ZINC000293147561 385737339 /nfs/dbraw/zinc/73/73/39/385737339.db2.gz UCVIUIKSMQOFIU-GFCCVEGCSA-N 1 1 238.262 2.529 20 5 BFBDMO Cc1cc[nH+]c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000049942922 386684097 /nfs/dbraw/zinc/68/40/97/386684097.db2.gz XBLPVZAXPONLPW-UHFFFAOYSA-N 1 1 243.266 2.910 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000152624743 387343275 /nfs/dbraw/zinc/34/32/75/387343275.db2.gz BLNQYYWWWUJUSY-BETUJISGSA-N 1 1 246.310 2.827 20 5 BFBDMO CC[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548783656 388369123 /nfs/dbraw/zinc/36/91/23/388369123.db2.gz OMWVYGXWUOKXPK-JTQLQIEISA-N 1 1 234.299 2.751 20 5 BFBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000124320646 388745331 /nfs/dbraw/zinc/74/53/31/388745331.db2.gz UNIFURFBLHQVCY-LLVKDONJSA-N 1 1 234.299 2.888 20 5 BFBDMO Cc1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449427290 388750021 /nfs/dbraw/zinc/75/00/21/388750021.db2.gz RIMZEUYQFQSWCI-CYBMUJFWSA-N 1 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CC(C)[C@@H]1CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000602503069 343227140 /nfs/dbraw/zinc/22/71/40/343227140.db2.gz CEQHOYPEWAORSS-AWEZNQCLSA-N 1 1 248.326 2.868 20 5 BFBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111003 344795220 /nfs/dbraw/zinc/79/52/20/344795220.db2.gz BMXXMEFYLKSENE-PHIMTYICSA-N 1 1 234.299 2.683 20 5 BFBDMO Cc1cccc(NCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048330176 179149711 /nfs/dbraw/zinc/14/97/11/179149711.db2.gz GJRUXQOEPMGDBR-UHFFFAOYSA-N 1 1 243.266 2.910 20 5 BFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595295111 348216241 /nfs/dbraw/zinc/21/62/41/348216241.db2.gz FGOZNBDGTCGIGF-UHFFFAOYSA-N 1 1 238.262 2.576 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595301385 348218713 /nfs/dbraw/zinc/21/87/13/348218713.db2.gz JTNGITVFYMWTRJ-SECBINFHSA-N 1 1 238.262 2.576 20 5 BFBDMO CC[C@H](C)[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595600186 348294854 /nfs/dbraw/zinc/29/48/54/348294854.db2.gz NMQIJNSOQMXIBP-QMMMGPOBSA-N 1 1 241.291 2.512 20 5 BFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000563080525 348425719 /nfs/dbraw/zinc/42/57/19/348425719.db2.gz FZGHYQXHYHYQEZ-UHFFFAOYSA-N 1 1 222.288 2.825 20 5 BFBDMO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597222514 348693215 /nfs/dbraw/zinc/69/32/15/348693215.db2.gz DTKIUHANAADKOL-CHWSQXEVSA-N 1 1 246.310 2.745 20 5 BFBDMO Cc1[nH+]cn(Cc2cc(F)ccc2[N+](=O)[O-])c1C ZINC000134591360 180287826 /nfs/dbraw/zinc/28/78/26/180287826.db2.gz MAWAWRLLDQQGTC-UHFFFAOYSA-N 1 1 249.245 2.596 20 5 BFBDMO CC(C)[C@H]1CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000342862377 350816894 /nfs/dbraw/zinc/81/68/94/350816894.db2.gz SMPROEWEFRDHNC-GFCCVEGCSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000610133344 357221347 /nfs/dbraw/zinc/22/13/47/357221347.db2.gz HUZITALRSYWEQA-DTWKUNHWSA-N 1 1 240.328 2.887 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133347 357221615 /nfs/dbraw/zinc/22/16/15/357221615.db2.gz ICQBCLVFFTUYKZ-NEPJUHHUSA-N 1 1 248.326 2.868 20 5 BFBDMO Cc1c(C[NH2+]Cc2ccco2)cccc1[N+](=O)[O-] ZINC000035648820 358015873 /nfs/dbraw/zinc/01/58/73/358015873.db2.gz HPJOLOIGRKHKBP-UHFFFAOYSA-N 1 1 246.266 2.786 20 5 BFBDMO CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169718 169082357 /nfs/dbraw/zinc/08/23/57/169082357.db2.gz CZVLXFPKIUEFFB-UHFFFAOYSA-N 1 1 249.270 2.578 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000362413711 384206709 /nfs/dbraw/zinc/20/67/09/384206709.db2.gz NRBVKPYLPOBMRR-CYBMUJFWSA-N 1 1 246.310 2.827 20 5 BFBDMO CCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047703420 384671038 /nfs/dbraw/zinc/67/10/38/384671038.db2.gz LGCQPDCBWPNGOK-JTQLQIEISA-N 1 1 222.288 2.998 20 5 BFBDMO Cc1[nH+]cn(Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000106440345 384915766 /nfs/dbraw/zinc/91/57/66/384915766.db2.gz XGSFVPXWGNUSRY-UHFFFAOYSA-N 1 1 245.282 2.765 20 5 BFBDMO CC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000292875172 385725247 /nfs/dbraw/zinc/72/52/47/385725247.db2.gz WXANMZMBOPBFOD-LBPRGKRZSA-N 1 1 234.299 2.888 20 5 BFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045770782 387993770 /nfs/dbraw/zinc/99/37/70/387993770.db2.gz BTIDMKHLDVQAAC-UHFFFAOYSA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000548752910 388368249 /nfs/dbraw/zinc/36/82/49/388368249.db2.gz FUUORWDRRNWXOP-PHIMTYICSA-N 1 1 234.299 2.620 20 5 BFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(C)CC1 ZINC000549407728 388387903 /nfs/dbraw/zinc/38/79/03/388387903.db2.gz IVHHENNHRFGYCQ-UHFFFAOYSA-N 1 1 248.326 2.869 20 5 BFBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171056605 388400705 /nfs/dbraw/zinc/40/07/05/388400705.db2.gz WXBBSDYQUJXZGN-UHFFFAOYSA-N 1 1 236.315 2.868 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368683601 388682742 /nfs/dbraw/zinc/68/27/42/388682742.db2.gz PTKTYHNBXJVNPH-DGCLKSJQSA-N 1 1 246.310 2.969 20 5 BFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489501725 388740982 /nfs/dbraw/zinc/74/09/82/388740982.db2.gz VIVLOWMJSVUFPT-ZDUSSCGKSA-N 1 1 248.326 2.868 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426456813 388710658 /nfs/dbraw/zinc/71/06/58/388710658.db2.gz XACOUCSRSLRATQ-JSGCOSHPSA-N 1 1 246.310 2.969 20 5 BFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000378311685 388727475 /nfs/dbraw/zinc/72/74/75/388727475.db2.gz DRUYUDHBYJHMKD-GFCCVEGCSA-N 1 1 246.310 2.827 20 5 BFBDMO CCCc1[nH+]ccn1Cc1ccccc1[N+](=O)[O-] ZINC000070424282 388730102 /nfs/dbraw/zinc/73/01/02/388730102.db2.gz VQAJDQLGQJFWOK-UHFFFAOYSA-N 1 1 245.282 2.792 20 5 BFBDMO CC[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000125455210 388787350 /nfs/dbraw/zinc/78/73/50/388787350.db2.gz MEUFGTFRYROACX-VIFPVBQESA-N 1 1 240.328 2.888 20 5 BFBDMO CC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255406094 135130147 /nfs/dbraw/zinc/13/01/47/135130147.db2.gz XGVTXEPBMVSOGI-VURMDHGXSA-N 1 1 220.272 2.560 20 5 BFBDMO CC[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000125514150 171010520 /nfs/dbraw/zinc/01/05/20/171010520.db2.gz HOBWOHCODGBAJD-LLVKDONJSA-N 1 1 234.299 2.827 20 5 BFBDMO CC[C@@H]1CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292777004 171024298 /nfs/dbraw/zinc/02/42/98/171024298.db2.gz KYNLMUCKLIEDFI-GFCCVEGCSA-N 1 1 234.299 2.888 20 5 BFBDMO CC[C@@H]1CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000292474224 171025566 /nfs/dbraw/zinc/02/55/66/171025566.db2.gz ROUNRKWAULRYKH-GFCCVEGCSA-N 1 1 234.299 2.888 20 5 BFBDMO CC[C@@H]1CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292404130 171026003 /nfs/dbraw/zinc/02/60/03/171026003.db2.gz LLEFAOWRSHAJLX-LLVKDONJSA-N 1 1 220.272 2.579 20 5 BFBDMO CCc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1C ZINC000104288385 172028217 /nfs/dbraw/zinc/02/82/17/172028217.db2.gz BQUGCFGIAIUZGP-UHFFFAOYSA-N 1 1 245.282 2.710 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000293448264 176316812 /nfs/dbraw/zinc/31/68/12/176316812.db2.gz PDCWKASPPDSSNQ-GMTAPVOTSA-N 1 1 234.299 2.996 20 5 BFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H]1C ZINC000292977665 176318039 /nfs/dbraw/zinc/31/80/39/176318039.db2.gz KVLLHPDUEMVHOY-GMTAPVOTSA-N 1 1 234.299 2.996 20 5 BFBDMO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348390 225382413 /nfs/dbraw/zinc/38/24/13/225382413.db2.gz MJNKDAGULOQOLX-CMPLNLGQSA-N 1 1 234.299 2.683 20 5 BFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000563080841 323088188 /nfs/dbraw/zinc/08/81/88/323088188.db2.gz HOJXXPNFBFVLBB-UHFFFAOYSA-N 1 1 222.288 2.825 20 5 BFBDMO C[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348392 534019550 /nfs/dbraw/zinc/01/95/50/534019550.db2.gz MJNKDAGULOQOLX-PWSUYJOCSA-N 1 1 234.299 2.683 20 5 BFBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000791053011 583385077 /nfs/dbraw/zinc/38/50/77/583385077.db2.gz RSORVQWEIFRZGD-CQSZACIVSA-N 1 1 248.326 2.533 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCF ZINC000766010522 585495659 /nfs/dbraw/zinc/49/56/59/585495659.db2.gz WHKBCCGXTZYHDI-SNVBAGLBSA-N 1 1 240.278 2.947 20 5 BFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCF ZINC000766010521 585495797 /nfs/dbraw/zinc/49/57/97/585495797.db2.gz WHKBCCGXTZYHDI-JTQLQIEISA-N 1 1 240.278 2.947 20 5 BFBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000816649084 586751309 /nfs/dbraw/zinc/75/13/09/586751309.db2.gz TUDSVJKOLWHGOM-GHMZBOCLSA-N 1 1 234.299 2.743 20 5 BFBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000816649225 586751899 /nfs/dbraw/zinc/75/18/99/586751899.db2.gz VYOUZDUPTZQSMA-BAEOLTKYSA-N 1 1 246.310 2.948 20 5 BFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885943757 592111611 /nfs/dbraw/zinc/11/16/11/592111611.db2.gz BVQIETZALZJEIL-UHFFFAOYSA-N 1 1 249.314 2.754 20 5 BFBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886029739 592135806 /nfs/dbraw/zinc/13/58/06/592135806.db2.gz AJQYFIWPTJJBEB-JTQLQIEISA-N 1 1 249.314 2.610 20 5 BFBDMO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000886048970 592140180 /nfs/dbraw/zinc/14/01/80/592140180.db2.gz CCAAVPKUTUDSAT-UHFFFAOYSA-N 1 1 249.314 2.610 20 5 BFBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000930699999 639865980 /nfs/dbraw/zinc/86/59/80/639865980.db2.gz MDYKLDBAKVVUQN-KGLIPLIRSA-N 1 1 248.326 2.531 20 5 BFBDMO CC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170915580 640938415 /nfs/dbraw/zinc/93/84/15/640938415.db2.gz ZIINEKDLEBMWQJ-VIFPVBQESA-N 1 1 240.278 2.964 20 5 BFBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000929383895 646104741 /nfs/dbraw/zinc/10/47/41/646104741.db2.gz YEVRVOWFMZIDQU-AWEZNQCLSA-N 1 1 248.326 2.663 20 5 BFBDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC[N+](=O)[O-] ZINC000929384477 646105361 /nfs/dbraw/zinc/10/53/61/646105361.db2.gz GEEXZXZKSRIMOC-ZDUSSCGKSA-N 1 1 236.315 2.736 20 5 BFBDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929840793 646352356 /nfs/dbraw/zinc/35/23/56/646352356.db2.gz HIZSUGQSDQBRRX-CQSZACIVSA-N 1 1 248.326 2.519 20 5 BFBDMO CCCCC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007084 969328854 /nfs/dbraw/zinc/32/88/54/969328854.db2.gz KUCPPXGLUBTVQB-VXGBXAGGSA-N 1 1 228.336 2.554 20 5 BFBDMO C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012283 969337829 /nfs/dbraw/zinc/33/78/29/969337829.db2.gz OXHFRXHXBZJJON-UPJWGTAASA-N 1 1 240.347 2.554 20 5 BFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005711 969328998 /nfs/dbraw/zinc/32/89/98/969328998.db2.gz CIGKZEKPXPQJPD-KGLIPLIRSA-N 1 1 248.326 2.564 20 5 BFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005710 969330269 /nfs/dbraw/zinc/33/02/69/969330269.db2.gz CIGKZEKPXPQJPD-KBPBESRZSA-N 1 1 248.326 2.564 20 5 BFBDMO CCC[N@@H+](CC(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042824 969359389 /nfs/dbraw/zinc/35/93/89/969359389.db2.gz GEYIFUGZJICGFW-OLZOCXBDSA-N 1 1 242.363 2.800 20 5 BFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC001254550118 969738490 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Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C ZINC000183339218 178270810 /nfs/dbraw/zinc/27/08/10/178270810.db2.gz NWIGMQIFJKEMMG-NSHDSACASA-N 1 1 234.299 2.888 20 5 BFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000073778921 343994740 /nfs/dbraw/zinc/99/47/40/343994740.db2.gz GDLFWJMOGYQSIP-JTQLQIEISA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893197 398309593 /nfs/dbraw/zinc/30/95/93/398309593.db2.gz GEJJZLVNPJTYJU-QWRGUYRKSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC=CCC1 ZINC000611517182 344747928 /nfs/dbraw/zinc/74/79/28/344747928.db2.gz GTRKGDRHSACWNB-LLVKDONJSA-N 1 1 232.283 2.918 20 5 BFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCC3)cc1 ZINC000081545809 345477966 /nfs/dbraw/zinc/47/79/66/345477966.db2.gz FMABHKHHQHWVFL-UHFFFAOYSA-N 1 1 232.283 2.723 20 5 BFBDMO CC[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000167730134 345723190 /nfs/dbraw/zinc/72/31/90/345723190.db2.gz 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1 1 232.283 2.505 20 5 BFBDMO CC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000270112965 168116018 /nfs/dbraw/zinc/11/60/18/168116018.db2.gz DNRYFSUZVHPGHI-UHFFFAOYSA-N 1 1 232.283 2.747 20 5 BFBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000070013883 169933624 /nfs/dbraw/zinc/93/36/24/169933624.db2.gz FSBLIQSQOOIRLJ-UHFFFAOYSA-N 1 1 240.328 2.888 20 5 BFBDMO C[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000076117772 176110628 /nfs/dbraw/zinc/11/06/28/176110628.db2.gz NAAYRAVKAKRNEZ-SNVBAGLBSA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000029131364 177108788 /nfs/dbraw/zinc/10/87/88/177108788.db2.gz PFZYNGPCNCRLFU-NSHDSACASA-N 1 1 234.299 2.622 20 5 in-vivo BFBDMO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000248347827 177167485 /nfs/dbraw/zinc/16/74/85/177167485.db2.gz NVOKELIKMCTFQL-IUCAKERBSA-N 1 1 240.328 2.887 20 5 BFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C)C1 ZINC000299569535 177169681 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O=[N+]([O-])CC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000791051397 585972651 /nfs/dbraw/zinc/97/26/51/585972651.db2.gz CJFIAPBZFLYUSB-CYBMUJFWSA-N 1 1 240.347 2.698 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000791574560 585984351 /nfs/dbraw/zinc/98/43/51/585984351.db2.gz QFQCITSJWVWHJY-DTORHVGOSA-N 1 1 238.262 2.717 20 5 BFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000791574560 585984352 /nfs/dbraw/zinc/98/43/52/585984352.db2.gz QFQCITSJWVWHJY-DTORHVGOSA-N 1 1 238.262 2.717 20 5 BFBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554544 586261894 /nfs/dbraw/zinc/26/18/94/586261894.db2.gz KGNBYCOFLKBDLT-RKDXNWHRSA-N 1 1 238.262 2.717 20 5 BFBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000816649228 586751600 /nfs/dbraw/zinc/75/16/00/586751600.db2.gz VYOUZDUPTZQSMA-OXTPZFROSA-N 1 1 246.310 2.948 20 5 BFBDMO Cc1ccc(C[N@H+]2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000879009416 590677608 /nfs/dbraw/zinc/67/76/08/590677608.db2.gz XKOSMLBMSTUEBO-UHFFFAOYSA-N 1 1 246.310 2.888 20 5 BFBDMO CCC[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885951251 592114018 /nfs/dbraw/zinc/11/40/18/592114018.db2.gz CHDAPVZJOZWRFM-SNVBAGLBSA-N 1 1 237.303 2.610 20 5 BFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886004239 592127445 /nfs/dbraw/zinc/12/74/45/592127445.db2.gz VUFWFVRGGQBTBH-PHIMTYICSA-N 1 1 249.314 2.753 20 5 BFBDMO CC[C@]1(C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039044 592138656 /nfs/dbraw/zinc/13/86/56/592138656.db2.gz HANJVLKILBEVEE-CYBMUJFWSA-N 1 1 249.314 2.612 20 5 BFBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239082 592183074 /nfs/dbraw/zinc/18/30/74/592183074.db2.gz OZFDOLCJFHGJDH-SNVBAGLBSA-N 1 1 249.314 2.753 20 5 BFBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000886242985 592183409 /nfs/dbraw/zinc/18/34/09/592183409.db2.gz LBFUQDRRGMJWLV-UHFFFAOYSA-N 1 1 249.314 2.610 20 5 BFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886327402 592209440 /nfs/dbraw/zinc/20/94/40/592209440.db2.gz IJHHIRIHNDICNJ-ZMLRMANQSA-N 1 1 232.283 2.608 20 5 BFBDMO C[C@@H](CF)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000309840093 632671871 /nfs/dbraw/zinc/67/18/71/632671871.db2.gz OFJBBUOVJJZFFO-ZETCQYMHSA-N 1 1 246.669 2.696 20 5 BFBDMO CC(C)[C@H]1[N@@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC000899887484 637149397 /nfs/dbraw/zinc/14/93/97/637149397.db2.gz UDBIRYCDUCKYSX-GFCCVEGCSA-N 1 1 240.347 2.554 20 5 BFBDMO CC(C)[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000930537866 639805611 /nfs/dbraw/zinc/80/56/11/639805611.db2.gz HJWGAXQXKGKMBL-GFCCVEGCSA-N 1 1 236.315 2.735 20 5 BFBDMO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000929289889 646065019 /nfs/dbraw/zinc/06/50/19/646065019.db2.gz IOFDQEQAVUEUAK-AWEZNQCLSA-N 1 1 248.326 2.880 20 5 BFBDMO Cc1ccc([C@H](C)[N@@H+](C)CC[N+](=O)[O-])c(C)c1 ZINC000929325538 646079583 /nfs/dbraw/zinc/07/95/83/646079583.db2.gz IXKFPWGOYKFHOT-LBPRGKRZSA-N 1 1 236.315 2.573 20 5 BFBDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929840791 646352315 /nfs/dbraw/zinc/35/23/15/646352315.db2.gz HIZSUGQSDQBRRX-AWEZNQCLSA-N 1 1 248.326 2.519 20 5 BFBDMO C[N@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1F ZINC000716639231 712568687 /nfs/dbraw/zinc/56/86/87/712568687.db2.gz HEWLZSGXMJPYBM-UHFFFAOYSA-N 1 1 244.241 2.525 20 5 BFBDMO C[N@@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1F ZINC000716639231 712568688 /nfs/dbraw/zinc/56/86/88/712568688.db2.gz HEWLZSGXMJPYBM-UHFFFAOYSA-N 1 1 244.241 2.525 20 5 BFBDMO C[C@@H](CF)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000702572506 712055663 /nfs/dbraw/zinc/05/56/63/712055663.db2.gz YIVKLDZNISQASY-ZETCQYMHSA-N 1 1 246.669 2.696 20 5 BFBDMO CC[C@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047890 969366533 /nfs/dbraw/zinc/36/65/33/969366533.db2.gz SJKLXFLIPBSSHU-AVGNSLFASA-N 1 1 240.347 2.696 20 5 BFBDMO CC(C)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252279808 968617225 /nfs/dbraw/zinc/61/72/25/968617225.db2.gz NNERXLPITHQIFJ-UHFFFAOYSA-N 1 1 234.299 2.957 20 5 BFBDMO CC(C)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252279808 968617228 /nfs/dbraw/zinc/61/72/28/968617228.db2.gz NNERXLPITHQIFJ-UHFFFAOYSA-N 1 1 234.299 2.957 20 5 BFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005712 969330057 /nfs/dbraw/zinc/33/00/57/969330057.db2.gz CIGKZEKPXPQJPD-UONOGXRCSA-N 1 1 248.326 2.564 20 5 BFBDMO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169038272 969356331 /nfs/dbraw/zinc/35/63/31/969356331.db2.gz XOIUVCQHBJJPIO-YVECIDJPSA-N 1 1 240.347 2.552 20 5 BFBDMO CC[N@@H+](C(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597853 969746417 /nfs/dbraw/zinc/74/64/17/969746417.db2.gz IEFIJNRBKRCMOE-CQSZACIVSA-N 1 1 248.326 2.792 20 5 BFBDMO CC[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC001473403215 983882878 /nfs/dbraw/zinc/88/28/78/983882878.db2.gz SLSQXGYXMYNKDP-WDEREUQCSA-N 1 1 249.314 2.610 20 5 BFBDMO Cc1cc(OCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001321614068 987952232 /nfs/dbraw/zinc/95/22/32/987952232.db2.gz KELUIBXQFVECMO-UHFFFAOYSA-N 1 1 244.250 2.877 20 5 BFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCC1)C2 ZINC001318784647 991717738 /nfs/dbraw/zinc/71/77/38/991717738.db2.gz NODFZPFBMXSLAE-UHFFFAOYSA-N 1 1 232.283 2.711 20 5 BFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CCC1)C2 ZINC001318784647 991717749 /nfs/dbraw/zinc/71/77/49/991717749.db2.gz NODFZPFBMXSLAE-UHFFFAOYSA-N 1 1 232.283 2.711 20 5 BFBDMO Cc1c(C[N@@H+]2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293429253 398194333 /nfs/dbraw/zinc/19/43/33/398194333.db2.gz NPKDQTPOZYSJRG-ONGXEEELSA-N 1 1 234.299 2.743 20 5 BFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C(C)C ZINC000183227768 178271906 /nfs/dbraw/zinc/27/19/06/178271906.db2.gz IWXHLYKPSTZGOL-UHFFFAOYSA-N 1 1 222.288 2.743 20 5 BFBDMO CC1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076015364 344020725 /nfs/dbraw/zinc/02/07/25/344020725.db2.gz LSPOOOLSDQLQGP-UHFFFAOYSA-N 1 1 234.299 2.827 20 5 BFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000610133470 343660035 /nfs/dbraw/zinc/66/00/35/343660035.db2.gz RRPZRJYNCITLPK-QWRGUYRKSA-N 1 1 234.299 2.825 20 5 BFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000610133471 343662753 /nfs/dbraw/zinc/66/27/53/343662753.db2.gz RRPZRJYNCITLPK-WDEREUQCSA-N 1 1 234.299 2.825 20 5 BFBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092471342 344296959 /nfs/dbraw/zinc/29/69/59/344296959.db2.gz REGHANLTBKOOCG-SNVBAGLBSA-N 1 1 234.299 2.745 20 5 BFBDMO Cc1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449427291 201918291 /nfs/dbraw/zinc/91/82/91/201918291.db2.gz RIMZEUYQFQSWCI-ZDUSSCGKSA-N 1 1 246.310 2.888 20 5 BFBDMO CCCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290270 348213382 /nfs/dbraw/zinc/21/33/82/348213382.db2.gz XXKIKSKIYJSDKB-UHFFFAOYSA-N 1 1 240.278 2.966 20 5 BFBDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595301386 348218961 /nfs/dbraw/zinc/21/89/61/348218961.db2.gz JTNGITVFYMWTRJ-VIFPVBQESA-N 1 1 238.262 2.576 20 5 BFBDMO CCC[C@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595288894 348213104 /nfs/dbraw/zinc/21/31/04/348213104.db2.gz AEPHFUXCQRUOOW-QMMMGPOBSA-N 1 1 241.291 2.512 20 5 BFBDMO CCC[C@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595288894 348213106 /nfs/dbraw/zinc/21/31/06/348213106.db2.gz AEPHFUXCQRUOOW-QMMMGPOBSA-N 1 1 241.291 2.512 20 5 BFBDMO Cc1c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595808582 348348756 /nfs/dbraw/zinc/34/87/56/348348756.db2.gz OCSKISLPAJGHFC-DGCLKSJQSA-N 1 1 246.310 2.745 20 5 BFBDMO CC12CC(C1)C[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595915770 348400550 /nfs/dbraw/zinc/40/05/50/348400550.db2.gz NIVCMOCIIRESDA-UHFFFAOYSA-N 1 1 232.283 2.579 20 5 BFBDMO C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264509 490248916 /nfs/dbraw/zinc/24/89/16/490248916.db2.gz QRMAMVLMTXXHFR-VIFPVBQESA-N 1 1 240.328 2.888 20 5 BFBDMO C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264509 490248924 /nfs/dbraw/zinc/24/89/24/490248924.db2.gz QRMAMVLMTXXHFR-VIFPVBQESA-N 1 1 240.328 2.888 20 5 BFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094774239 362981764 /nfs/dbraw/zinc/98/17/64/362981764.db2.gz UESBAFPUWZETGX-UHFFFAOYSA-N 1 1 240.278 2.964 20 5 BFBDMO CC[C@@H](C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131352278 371593893 /nfs/dbraw/zinc/59/38/93/371593893.db2.gz GPOLQFWISAPDDU-LLVKDONJSA-N 1 1 248.326 2.999 20 5 BFBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000172018868 372856634 /nfs/dbraw/zinc/85/66/34/372856634.db2.gz MNIOQYUMAQYKPZ-UHFFFAOYSA-N 1 1 240.690 2.842 20 5 BFBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000172018868 372856636 /nfs/dbraw/zinc/85/66/36/372856636.db2.gz MNIOQYUMAQYKPZ-UHFFFAOYSA-N 1 1 240.690 2.842 20 5 BFBDMO CCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047703422 384673798 /nfs/dbraw/zinc/67/37/98/384673798.db2.gz LGCQPDCBWPNGOK-SNVBAGLBSA-N 1 1 222.288 2.998 20 5 BFBDMO Cc1c(C[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000263772592 385137386 /nfs/dbraw/zinc/13/73/86/385137386.db2.gz WTNVFOSIKDNBKY-JTQLQIEISA-N 1 1 234.299 2.745 20 5 BFBDMO CCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332703049 385904276 /nfs/dbraw/zinc/90/42/76/385904276.db2.gz MWNUKGIFZCYHIL-UHFFFAOYSA-N 1 1 249.314 2.538 20 5 BFBDMO CC[C@H](F)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000440506279 387238426 /nfs/dbraw/zinc/23/84/26/387238426.db2.gz ZYXYQOHMJXAVHD-ZJUUUORDSA-N 1 1 240.278 2.994 20 5 BFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774371 388393716 /nfs/dbraw/zinc/39/37/16/388393716.db2.gz PRDJEZBOYIJKPO-UHFFFAOYSA-N 1 1 238.262 2.576 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CC2CC2)C2CC2)c1 ZINC000076348673 388399067 /nfs/dbraw/zinc/39/90/67/388399067.db2.gz RPMGVJGFIVCVKM-UHFFFAOYSA-N 1 1 246.310 2.969 20 5 BFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000077325600 388675174 /nfs/dbraw/zinc/67/51/74/388675174.db2.gz RNEDKAWBHIVGKP-QMMMGPOBSA-N 1 1 240.328 2.887 20 5 BFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000449421476 388749768 /nfs/dbraw/zinc/74/97/68/388749768.db2.gz AKZKFAHKPWQVTH-ZDUSSCGKSA-N 1 1 232.283 2.579 20 5 BFBDMO CC[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000068450380 388712408 /nfs/dbraw/zinc/71/24/08/388712408.db2.gz VXYXKZRGDKJUQL-SNVBAGLBSA-N 1 1 222.288 2.825 20 5 BFBDMO C[N@@H+](CCCCF)Cc1ccccc1[N+](=O)[O-] ZINC000285045623 388834031 /nfs/dbraw/zinc/83/40/31/388834031.db2.gz CKCNFICHQVQDKB-UHFFFAOYSA-N 1 1 240.278 2.776 20 5 BFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C1CCCC1)C2 ZINC000093443816 388839234 /nfs/dbraw/zinc/83/92/34/388839234.db2.gz WSOLFENYIUELEQ-UHFFFAOYSA-N 1 1 246.310 2.896 20 5 BFBDMO CC[C@H](C)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153382376 388967040 /nfs/dbraw/zinc/96/70/40/388967040.db2.gz SQSSCEYJSPIITO-NSHDSACASA-N 1 1 248.326 2.999 20 5 BFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000177868118 134303340 /nfs/dbraw/zinc/30/33/40/134303340.db2.gz DZEWYGRYBVKGDG-NWDGAFQWSA-N 1 1 248.326 2.868 20 5 BFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC000267031152 135151457 /nfs/dbraw/zinc/15/14/57/135151457.db2.gz MRVDFWTZOUTMER-UHFFFAOYSA-N 1 1 238.262 2.720 20 5 BFBDMO CC1=CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000280779094 168099530 /nfs/dbraw/zinc/09/95/30/168099530.db2.gz IAOZZDZPXVBHJI-UHFFFAOYSA-N 1 1 232.283 2.747 20 5 BFBDMO CC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000270335499 168115401 /nfs/dbraw/zinc/11/54/01/168115401.db2.gz MQFMAQISZFUHKH-UHFFFAOYSA-N 1 1 232.283 2.747 20 5 BFBDMO CC[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282531683 171307729 /nfs/dbraw/zinc/30/77/29/171307729.db2.gz VBVOQBGLSMHOMA-NSHDSACASA-N 1 1 236.315 2.868 20 5 BFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267020721 176176385 /nfs/dbraw/zinc/17/63/85/176176385.db2.gz KAQXYDIQUOPZCN-SECBINFHSA-N 1 1 238.262 2.576 20 5 BFBDMO C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000042975701 177077693 /nfs/dbraw/zinc/07/76/93/177077693.db2.gz OPCPVIGJIWJVIO-NSHDSACASA-N 1 1 234.299 2.969 20 5 BFBDMO C[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000076117773 177110697 /nfs/dbraw/zinc/11/06/97/177110697.db2.gz NAAYRAVKAKRNEZ-JTQLQIEISA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000174410894 177110929 /nfs/dbraw/zinc/11/09/29/177110929.db2.gz NPBZOQQPZMWRHD-JTQLQIEISA-N 1 1 220.272 2.579 20 5 BFBDMO C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352733515 177156888 /nfs/dbraw/zinc/15/68/88/177156888.db2.gz RYCXRXRATGYMNT-RNZFLTOJSA-N 1 1 246.310 2.950 20 5 BFBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000292884566 177263187 /nfs/dbraw/zinc/26/31/87/177263187.db2.gz CJIYRKLXFJLJEM-DTWKUNHWSA-N 1 1 238.262 2.574 20 5 BFBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000292884566 177263188 /nfs/dbraw/zinc/26/31/88/177263188.db2.gz CJIYRKLXFJLJEM-DTWKUNHWSA-N 1 1 238.262 2.574 20 5 BFBDMO C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348391 225380736 /nfs/dbraw/zinc/38/07/36/225380736.db2.gz MJNKDAGULOQOLX-JQWIXIFHSA-N 1 1 234.299 2.683 20 5 BFBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCCC1 ZINC000163289956 326347530 /nfs/dbraw/zinc/34/75/30/326347530.db2.gz ATURYOLCHOSTQQ-UHFFFAOYSA-N 1 1 240.690 2.844 20 5 BFBDMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053329 585973087 /nfs/dbraw/zinc/97/30/87/585973087.db2.gz KWKQUYKFNKRELS-SECBINFHSA-N 1 1 242.706 2.610 20 5 BFBDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053329 585973088 /nfs/dbraw/zinc/97/30/88/585973088.db2.gz KWKQUYKFNKRELS-SECBINFHSA-N 1 1 242.706 2.610 20 5 BFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886027046 592135621 /nfs/dbraw/zinc/13/56/21/592135621.db2.gz BPGHVJFCUMJDKH-PWSUYJOCSA-N 1 1 249.314 2.610 20 5 BFBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028832 592136014 /nfs/dbraw/zinc/13/60/14/592136014.db2.gz YHYIWUUAXNIYBM-MNOVXSKESA-N 1 1 249.314 2.610 20 5 BFBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239081 592183022 /nfs/dbraw/zinc/18/30/22/592183022.db2.gz OZFDOLCJFHGJDH-JTQLQIEISA-N 1 1 249.314 2.753 20 5 BFBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886271158 592191806 /nfs/dbraw/zinc/19/18/06/592191806.db2.gz ZCLBJPNQLHBQNG-UHFFFAOYSA-N 1 1 237.303 2.610 20 5 BFBDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000932274515 635639082 /nfs/dbraw/zinc/63/90/82/635639082.db2.gz IENITMZVQVMVOR-OCCSQVGLSA-N 1 1 248.326 2.531 20 5 BFBDMO C[C@H](C1CC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353049 639721351 /nfs/dbraw/zinc/72/13/51/639721351.db2.gz FBVJYRGVOXCIBK-LLVKDONJSA-N 1 1 248.326 2.868 20 5 BFBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000930700002 639866134 /nfs/dbraw/zinc/86/61/34/639866134.db2.gz MDYKLDBAKVVUQN-ZIAGYGMSSA-N 1 1 248.326 2.531 20 5 BFBDMO CCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775084 644727316 /nfs/dbraw/zinc/72/73/16/644727316.db2.gz QDHXNYWIGKCWBH-UHFFFAOYSA-N 1 1 249.245 2.541 20 5 BFBDMO 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