smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382479024 398173355 /nfs/dbraw/zinc/17/33/55/398173355.db2.gz DUPBTNGTOXXZGT-GHMZBOCLSA-N 1 0 249.314 2.585 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC1 ZINC000273425086 178271121 /nfs/dbraw/zinc/27/11/21/178271121.db2.gz RRMUHMAMQRSPEO-UHFFFAOYSA-N 1 0 220.272 2.545 20 5 BFBDRO CCC(CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472314 168389656 /nfs/dbraw/zinc/38/96/56/168389656.db2.gz PMVLPJCOZZVGDB-UHFFFAOYSA-N 1 0 228.317 2.935 20 5 BFBDRO CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309425 398306094 /nfs/dbraw/zinc/30/60/94/398306094.db2.gz GIAUGJSPGKDHHN-ZDUSSCGKSA-N 1 0 234.299 2.972 20 5 BFBDRO CCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285288337 398319547 /nfs/dbraw/zinc/31/95/47/398319547.db2.gz KBYAFYGPOJZPAH-UHFFFAOYSA-N 1 0 236.315 2.869 20 5 BFBDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000335689957 136324471 /nfs/dbraw/zinc/32/44/71/136324471.db2.gz KIJMOTWSGSQSNY-NXEZZACHSA-N 1 0 220.272 2.578 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000335689956 136324473 /nfs/dbraw/zinc/32/44/73/136324473.db2.gz KIJMOTWSGSQSNY-AOOOYVTPSA-N 1 0 220.272 2.578 20 5 BFBDRO CC/C=C/C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000395251253 344132532 /nfs/dbraw/zinc/13/25/32/344132532.db2.gz SWPDVZMWMLRIGH-SNAWJCMRSA-N 1 0 234.299 2.959 20 5 BFBDRO Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])c(C)n1 ZINC000611164966 344268829 /nfs/dbraw/zinc/26/88/29/344268829.db2.gz CSZBZEGWWLKZSX-UHFFFAOYSA-N 1 0 249.245 2.596 20 5 BFBDRO Cc1c(C[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517228 344747764 /nfs/dbraw/zinc/74/77/64/344747764.db2.gz JPPIZIWDAXVXRL-UHFFFAOYSA-N 1 0 232.283 2.665 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC=CCC1 ZINC000611521187 344749532 /nfs/dbraw/zinc/74/95/32/344749532.db2.gz RYCXKEVGPMBDBH-SOFGYWHQSA-N 1 0 244.294 2.870 20 5 BFBDRO C[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076111144 344794985 /nfs/dbraw/zinc/79/49/85/344794985.db2.gz QAROAUDZCGHQPE-VXGBXAGGSA-N 1 0 248.326 2.725 20 5 BFBDRO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000294677559 168497067 /nfs/dbraw/zinc/49/70/67/168497067.db2.gz BJFXIACAHGRPCT-UHFFFAOYSA-N 1 0 226.301 2.689 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC1 ZINC000449071506 201804394 /nfs/dbraw/zinc/80/43/94/201804394.db2.gz HJJIEMFMKKUFKK-JTQLQIEISA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092471268 345623631 /nfs/dbraw/zinc/62/36/31/345623631.db2.gz RYCXRXRATGYMNT-FUEXJSSKSA-N 1 0 246.310 2.950 20 5 BFBDRO CC[C@H](C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000093111364 345656957 /nfs/dbraw/zinc/65/69/57/345656957.db2.gz LFJNYPOWJOQETH-NSHDSACASA-N 1 0 236.315 2.773 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCC2)cc1 ZINC000401141719 346310867 /nfs/dbraw/zinc/31/08/67/346310867.db2.gz HBALOZGMZDFPNY-UHFFFAOYSA-N 1 0 232.283 2.795 20 5 BFBDRO C[C@@H](CF)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594607452 348081293 /nfs/dbraw/zinc/08/12/93/348081293.db2.gz VKTZZYBULISDCT-KWQFWETISA-N 1 0 238.262 2.530 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]23C[C@@H]2CCC3)cs1 ZINC000594954019 348148448 /nfs/dbraw/zinc/14/84/48/348148448.db2.gz WBNPLHRCTLJRFE-ONGXEEELSA-N 1 0 238.312 2.689 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCCC2)cs1 ZINC000594990460 348166831 /nfs/dbraw/zinc/16/68/31/348166831.db2.gz QVCLDCGGMHXJLR-UHFFFAOYSA-N 1 0 238.312 2.856 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595334209 348228955 /nfs/dbraw/zinc/22/89/55/348228955.db2.gz NKWLSUPCRRFAKG-VIFPVBQESA-N 1 0 238.262 2.718 20 5 BFBDRO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595560159 348281082 /nfs/dbraw/zinc/28/10/82/348281082.db2.gz IJOCUSWXVWNJSP-UHFFFAOYSA-N 1 0 241.291 2.512 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+](C2CC2)C2CC2)cc1 ZINC000599595504 349222574 /nfs/dbraw/zinc/22/25/74/349222574.db2.gz VFJIVBWRQXSGGE-UHFFFAOYSA-N 1 0 232.283 2.722 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+](C2CC2)C2CC2)c1 ZINC000599593259 349222814 /nfs/dbraw/zinc/22/28/14/349222814.db2.gz CEECAHXMZJQQKW-UHFFFAOYSA-N 1 0 232.283 2.722 20 5 BFBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000324191417 350289708 /nfs/dbraw/zinc/28/97/08/350289708.db2.gz RGFLHLJFDASWEL-SNVBAGLBSA-N 1 0 240.328 2.935 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCF ZINC000309455995 350514016 /nfs/dbraw/zinc/51/40/16/350514016.db2.gz NPUYQRCYCNOOKW-SECBINFHSA-N 1 0 226.251 2.523 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC(F)(F)F)cc1 ZINC000063099225 351123099 /nfs/dbraw/zinc/12/30/99/351123099.db2.gz ZRHCUILYOGNHCF-UHFFFAOYSA-N 1 0 248.204 2.637 20 5 BFBDRO CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000211421435 352731838 /nfs/dbraw/zinc/73/18/38/352731838.db2.gz PWWQJVSUMPLHAT-ALCCZGGFSA-N 1 0 220.272 2.608 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403577063 353161341 /nfs/dbraw/zinc/16/13/41/353161341.db2.gz YYYKJFAPNXYBKE-RAIGVLPGSA-N 1 0 246.310 2.873 20 5 BFBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000284327851 188385701 /nfs/dbraw/zinc/38/57/01/188385701.db2.gz MDJHCPFATKWVAO-GFCCVEGCSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000449742888 202019060 /nfs/dbraw/zinc/01/90/60/202019060.db2.gz RXXLRCXULXRDCZ-JSGCOSHPSA-N 1 0 246.310 2.731 20 5 BFBDRO CC(C)=CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000191625535 355753302 /nfs/dbraw/zinc/75/33/02/355753302.db2.gz GDRGQODKALFJGJ-UHFFFAOYSA-N 1 0 226.301 2.712 20 5 BFBDRO CC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000385067845 356887801 /nfs/dbraw/zinc/88/78/01/356887801.db2.gz VKLWUODMFHACEK-ARJAWSKDSA-N 1 0 220.272 2.651 20 5 BFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610133345 357221772 /nfs/dbraw/zinc/22/17/72/357221772.db2.gz HUZITALRSYWEQA-IUCAKERBSA-N 1 0 240.328 2.887 20 5 BFBDRO CC(C)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000619431163 358016541 /nfs/dbraw/zinc/01/65/41/358016541.db2.gz SSONXWGLXOKHIP-UHFFFAOYSA-N 1 0 234.299 2.683 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C(C)C)C1 ZINC000619431185 358016645 /nfs/dbraw/zinc/01/66/45/358016645.db2.gz WXWUFRXBUAFRMZ-UHFFFAOYSA-N 1 0 248.326 2.991 20 5 BFBDRO CC1=CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000436265251 201316275 /nfs/dbraw/zinc/31/62/75/201316275.db2.gz RCXSGBGXZAGKDD-UHFFFAOYSA-N 1 0 246.310 2.789 20 5 BFBDRO CCC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472320 364055925 /nfs/dbraw/zinc/05/59/25/364055925.db2.gz UZXLSONMZJTMKL-QMMMGPOBSA-N 1 0 228.317 2.935 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000349975008 370842248 /nfs/dbraw/zinc/84/22/48/370842248.db2.gz NDSHEWQMTYWTSU-VXGBXAGGSA-N 1 0 248.326 2.991 20 5 BFBDRO Cc1occc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000067217994 368681154 /nfs/dbraw/zinc/68/11/54/368681154.db2.gz FYDPXDTUOAPREX-UHFFFAOYSA-N 1 0 246.266 2.786 20 5 BFBDRO C/C=C/C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794785 370262497 /nfs/dbraw/zinc/26/24/97/370262497.db2.gz PXFFDCKIIYZHNA-FSIBCCDJSA-N 1 0 220.272 2.822 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000310892958 370370561 /nfs/dbraw/zinc/37/05/61/370370561.db2.gz YTZKHQPBIADYLV-IACUBPJLSA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000162918170 371884692 /nfs/dbraw/zinc/88/46/92/371884692.db2.gz YJPSELXPRKBFGD-JTQLQIEISA-N 1 0 234.299 2.731 20 5 BFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000353801952 371957799 /nfs/dbraw/zinc/95/77/99/371957799.db2.gz GTPLBEIGSSRHTB-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000353817187 371959908 /nfs/dbraw/zinc/95/99/08/371959908.db2.gz NKAKCYOKCFECNQ-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000134229764 372184906 /nfs/dbraw/zinc/18/49/06/372184906.db2.gz IDHAEPXSYXNOHP-JTQLQIEISA-N 1 0 234.299 2.731 20 5 BFBDRO CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000001666800 168868678 /nfs/dbraw/zinc/86/86/78/168868678.db2.gz FWKRBOXUCMJGSO-UHFFFAOYSA-N 1 0 222.288 2.527 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000076770876 182945289 /nfs/dbraw/zinc/94/52/89/182945289.db2.gz WBFXPBXMPILCQJ-LBPRGKRZSA-N 1 0 232.283 2.793 20 5 BFBDRO CCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000127536910 169081490 /nfs/dbraw/zinc/08/14/90/169081490.db2.gz IKEYHWCZXCJGKU-UHFFFAOYSA-N 1 0 222.288 2.745 20 5 BFBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171681625 169180030 /nfs/dbraw/zinc/18/00/30/169180030.db2.gz QLFYKOYDNSUHMJ-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO CCC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677554 169369504 /nfs/dbraw/zinc/36/95/04/169369504.db2.gz PLWZYMRRGIPVCY-LLVKDONJSA-N 1 0 236.315 2.916 20 5 BFBDRO C[C@@H](CF)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000288569125 383905091 /nfs/dbraw/zinc/90/50/91/383905091.db2.gz ZMMZSKJMIPOQAO-ZETCQYMHSA-N 1 0 246.669 2.696 20 5 BFBDRO C[C@@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000339498888 383991221 /nfs/dbraw/zinc/99/12/21/383991221.db2.gz TVOWFIGJXBAGGH-MRVPVSSYSA-N 1 0 244.241 2.572 20 5 BFBDRO CC[C@H]([NH2+]CCCF)c1cccc([N+](=O)[O-])c1 ZINC000126860830 384161194 /nfs/dbraw/zinc/16/11/94/384161194.db2.gz NDAHQJIKGYIVLZ-LBPRGKRZSA-N 1 0 240.278 2.995 20 5 BFBDRO CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166178031 384185929 /nfs/dbraw/zinc/18/59/29/384185929.db2.gz ZOQGVNZWDMBOQL-JTQLQIEISA-N 1 0 222.288 2.964 20 5 BFBDRO CC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000569532295 384184448 /nfs/dbraw/zinc/18/44/48/384184448.db2.gz XRKBADCXKKATJT-UHFFFAOYSA-N 1 0 246.310 2.753 20 5 BFBDRO Cc1ccc(C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000093475756 384242791 /nfs/dbraw/zinc/24/27/91/384242791.db2.gz ASYWFHYWDKSHDY-UHFFFAOYSA-N 1 0 234.299 2.888 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCF)c(F)c1 ZINC000336727777 384260060 /nfs/dbraw/zinc/26/00/60/384260060.db2.gz WISFPVVEGNPGSG-UHFFFAOYSA-N 1 0 244.241 2.573 20 5 BFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccco2)c1 ZINC000158007311 384354845 /nfs/dbraw/zinc/35/48/45/384354845.db2.gz SAOAONYXOIQZLB-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO CC[NH+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000309229694 384470349 /nfs/dbraw/zinc/47/03/49/384470349.db2.gz CZGSDVKEAWEFRF-UHFFFAOYSA-N 1 0 226.251 2.576 20 5 BFBDRO CC[NH+](CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255375982 384505042 /nfs/dbraw/zinc/50/50/42/384505042.db2.gz ZGFNIIVHIMSPEW-CLFYSBASSA-N 1 0 234.299 2.950 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248344159 384787016 /nfs/dbraw/zinc/78/70/16/384787016.db2.gz LFWSDDRKJXRVCB-MNOVXSKESA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H](F)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340466483 385276015 /nfs/dbraw/zinc/27/60/15/385276015.db2.gz ZKBUMCJKHDBCJQ-NXEZZACHSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@H](CF)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342209012 385875003 /nfs/dbraw/zinc/87/50/03/385875003.db2.gz WFTGIJFTNOJLQL-AYYIZTPMSA-N 1 0 238.262 2.556 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)C1 ZINC000449180059 385977239 /nfs/dbraw/zinc/97/72/39/385977239.db2.gz YJTWLJOBGDVGJJ-QWKFWESOSA-N 1 0 248.326 2.914 20 5 BFBDRO CC1(F)CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000449370013 386057512 /nfs/dbraw/zinc/05/75/12/386057512.db2.gz HIXLOAOEVZWGLL-UHFFFAOYSA-N 1 0 238.262 2.575 20 5 BFBDRO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000160005538 386105425 /nfs/dbraw/zinc/10/54/25/386105425.db2.gz ZEWBUIIFACVBPC-UHFFFAOYSA-N 1 0 226.301 2.689 20 5 BFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000237389210 386556882 /nfs/dbraw/zinc/55/68/82/386556882.db2.gz IFGKDDZLTYKIDH-DUMNWFOQSA-N 1 0 246.310 2.996 20 5 BFBDRO CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267070365 386754316 /nfs/dbraw/zinc/75/43/16/386754316.db2.gz VQPDIELRXZKJRE-UHFFFAOYSA-N 1 0 240.278 2.966 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186609049 387019385 /nfs/dbraw/zinc/01/93/85/387019385.db2.gz SSXDOKPTTZYAJT-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCCC1 ZINC000103858481 387463430 /nfs/dbraw/zinc/46/34/30/387463430.db2.gz DMAOZEUHKHOPJG-ALCCZGGFSA-N 1 0 232.283 2.704 20 5 BFBDRO CCC1([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000296254770 387731919 /nfs/dbraw/zinc/73/19/19/387731919.db2.gz DASLIKMLKVHIDM-VIFPVBQESA-N 1 0 249.314 2.770 20 5 BFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045770777 387994549 /nfs/dbraw/zinc/99/45/49/387994549.db2.gz DNBVMLLFTCGTCP-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000132146174 388356617 /nfs/dbraw/zinc/35/66/17/388356617.db2.gz MKSXONCITPZDLF-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H]1C[C@H](C)[NH+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000548752911 388367892 /nfs/dbraw/zinc/36/78/92/388367892.db2.gz FUUORWDRRNWXOP-QWRGUYRKSA-N 1 0 234.299 2.620 20 5 BFBDRO Cc1c([C@H](C)[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000132715502 388368912 /nfs/dbraw/zinc/36/89/12/388368912.db2.gz PVMCAZRRXUPQFZ-VIFPVBQESA-N 1 0 220.272 2.716 20 5 BFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000252020869 388392753 /nfs/dbraw/zinc/39/27/53/388392753.db2.gz YGXDNASCTSUZJO-JTQLQIEISA-N 1 0 234.299 2.825 20 5 BFBDRO CC(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449062708 388747278 /nfs/dbraw/zinc/74/72/78/388747278.db2.gz JXSVWQJMRQFOBN-NSHDSACASA-N 1 0 236.315 2.771 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449423207 388749435 /nfs/dbraw/zinc/74/94/35/388749435.db2.gz GZANSOYBAKCKCH-LBPRGKRZSA-N 1 0 232.283 2.579 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000449427307 388749506 /nfs/dbraw/zinc/74/95/06/388749506.db2.gz RPTCSIPAADYLKI-CYBMUJFWSA-N 1 0 232.283 2.579 20 5 BFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000449445330 388749889 /nfs/dbraw/zinc/74/98/89/388749889.db2.gz IFGKDDZLTYKIDH-QZPNVGJNSA-N 1 0 246.310 2.996 20 5 BFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000449557251 388751345 /nfs/dbraw/zinc/75/13/45/388751345.db2.gz VJZYSYBXLWOHNH-STQMWFEESA-N 1 0 248.326 2.977 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326261 388696122 /nfs/dbraw/zinc/69/61/22/388696122.db2.gz OSCKTCMXGRTTAF-JOYOIKCWSA-N 1 0 232.283 2.798 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC3)CC2)c1 ZINC000371342240 388696882 /nfs/dbraw/zinc/69/68/82/388696882.db2.gz WGULMHDWVGZKRA-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO CSCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000068995292 388719321 /nfs/dbraw/zinc/71/93/21/388719321.db2.gz WKGOQVDLYFRELQ-VIFPVBQESA-N 1 0 240.328 2.608 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000377541434 388725598 /nfs/dbraw/zinc/72/55/98/388725598.db2.gz CXMWTMLHLAKNAJ-AWEZNQCLSA-N 1 0 246.310 2.969 20 5 BFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489443307 388726181 /nfs/dbraw/zinc/72/61/81/388726181.db2.gz WEBBTEFUHNEYNR-LBPRGKRZSA-N 1 0 234.299 2.825 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000342290407 135256587 /nfs/dbraw/zinc/25/65/87/135256587.db2.gz CXOQPURIMNTTFP-GHMZBOCLSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000342311256 135258884 /nfs/dbraw/zinc/25/88/84/135258884.db2.gz VXHMRNYTEIWUAJ-WDEREUQCSA-N 1 0 238.262 2.575 20 5 BFBDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000348077350 136034597 /nfs/dbraw/zinc/03/45/97/136034597.db2.gz NSJLZRCHZXKOES-AAEUAGOBSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176763 167138648 /nfs/dbraw/zinc/13/86/48/167138648.db2.gz CZMDPRLTFVYWFD-SECBINFHSA-N 1 0 208.261 2.654 20 5 BFBDRO CC(C)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472344 167384690 /nfs/dbraw/zinc/38/46/90/167384690.db2.gz BPYFBHREVVAGIQ-MRVPVSSYSA-N 1 0 228.317 2.790 20 5 BFBDRO CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000037948095 170138689 /nfs/dbraw/zinc/13/86/89/170138689.db2.gz GYMCLOXIBSZQBU-JTQLQIEISA-N 1 0 222.288 2.525 20 5 BFBDRO CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020084577 170141890 /nfs/dbraw/zinc/14/18/90/170141890.db2.gz SAKHIEBUPCMJOS-VIFPVBQESA-N 1 0 208.261 2.574 20 5 BFBDRO CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166465404 170142321 /nfs/dbraw/zinc/14/23/21/170142321.db2.gz OLAVTIHEVQQYNL-VIFPVBQESA-N 1 0 208.261 2.574 20 5 BFBDRO CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000042399429 170167224 /nfs/dbraw/zinc/16/72/24/170167224.db2.gz YBNYGMKUDOGVLF-AAEUAGOBSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237000856 171339778 /nfs/dbraw/zinc/33/97/78/171339778.db2.gz ZZLYTXSUHHLKHA-IOCXFXADSA-N 1 0 234.299 2.996 20 5 BFBDRO CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000309355031 171343196 /nfs/dbraw/zinc/34/31/96/171343196.db2.gz CGSOYLAOGZSCEY-QMMMGPOBSA-N 1 0 226.251 2.622 20 5 BFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000128541887 176213066 /nfs/dbraw/zinc/21/30/66/176213066.db2.gz XITYWGMSHKKJLL-PSASIEDQSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000338356642 177100145 /nfs/dbraw/zinc/10/01/45/177100145.db2.gz XSQYJJVGWZOFOO-LBPRGKRZSA-N 1 0 248.326 2.869 20 5 BFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000071205905 177142463 /nfs/dbraw/zinc/14/24/63/177142463.db2.gz BARKSIDVUZVMAT-GXFFZTMASA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267020723 177165370 /nfs/dbraw/zinc/16/53/70/177165370.db2.gz KAQXYDIQUOPZCN-VIFPVBQESA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C1 ZINC000299569542 177169612 /nfs/dbraw/zinc/16/96/12/177169612.db2.gz BJVTXEZQVTVLGH-WDEREUQCSA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123275370 177187189 /nfs/dbraw/zinc/18/71/89/177187189.db2.gz XZBXISMYOGXITK-PHIMTYICSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000336684005 177433066 /nfs/dbraw/zinc/43/30/66/177433066.db2.gz FMHANOJMWLGGIB-GBIKHYSHSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000495089559 226276481 /nfs/dbraw/zinc/27/64/81/226276481.db2.gz YQTRLZGJVBQCGH-JTNHKYCSSA-N 1 0 248.326 2.771 20 5 BFBDRO CC(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570696643 323067740 /nfs/dbraw/zinc/06/77/40/323067740.db2.gz QMAAZGQMRYKWLH-LBPRGKRZSA-N 1 0 234.299 2.828 20 5 BFBDRO CC(C)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247437 323169012 /nfs/dbraw/zinc/16/90/12/323169012.db2.gz PCFIBXXCRBFEIW-UHFFFAOYSA-N 1 0 248.326 2.999 20 5 BFBDRO CC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000395105988 323187135 /nfs/dbraw/zinc/18/71/35/323187135.db2.gz GTHSJEYLQBXENF-ZZXKWVIFSA-N 1 0 220.272 2.651 20 5 BFBDRO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000230673844 323398042 /nfs/dbraw/zinc/39/80/42/323398042.db2.gz QDIWPRHUYIQPQK-UHFFFAOYSA-N 1 0 240.328 2.935 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CC1 ZINC000131130178 325120966 /nfs/dbraw/zinc/12/09/66/325120966.db2.gz HUCXFEMAKHDHNL-SNVBAGLBSA-N 1 0 234.299 2.964 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC1CC1)C1CC1 ZINC000076350090 325342322 /nfs/dbraw/zinc/34/23/22/325342322.db2.gz KLOCESHATLMGQK-UHFFFAOYSA-N 1 0 246.310 2.969 20 5 BFBDRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000348117989 536099620 /nfs/dbraw/zinc/09/96/20/536099620.db2.gz DBDRQBCXYYFOSC-WCQYABFASA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000791052538 583384366 /nfs/dbraw/zinc/38/43/66/583384366.db2.gz OZNPPCJGWZDACP-LBPRGKRZSA-N 1 0 236.315 2.640 20 5 BFBDRO C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464687 583988461 /nfs/dbraw/zinc/98/84/61/583988461.db2.gz OKKINZVVPCGUCR-QJPTWQEYSA-N 1 0 248.326 2.944 20 5 BFBDRO CC(C)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466369 583988871 /nfs/dbraw/zinc/98/88/71/583988871.db2.gz SKNWYOMSHPFEFM-LLVKDONJSA-N 1 0 236.315 2.944 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000897953661 584064094 /nfs/dbraw/zinc/06/40/94/584064094.db2.gz RIWUYBIEPLJLGS-IACUBPJLSA-N 1 0 246.310 2.873 20 5 BFBDRO CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273623 588974296 /nfs/dbraw/zinc/97/42/96/588974296.db2.gz XQQPHVMGLAITRS-UHFFFAOYSA-N 1 0 228.679 2.700 20 5 BFBDRO C[NH2+][C@@H](C)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396835 584438527 /nfs/dbraw/zinc/43/85/27/584438527.db2.gz ZOSQANGBOIEEJA-QMMMGPOBSA-N 1 0 247.254 2.530 20 5 BFBDRO CCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903055249 584722143 /nfs/dbraw/zinc/72/21/43/584722143.db2.gz ACKXZYPXNZXMSZ-VIFPVBQESA-N 1 0 238.287 2.664 20 5 BFBDRO C[C@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000783258991 585832501 /nfs/dbraw/zinc/83/25/01/585832501.db2.gz SMGZNWRMIYALBM-GXFFZTMASA-N 1 0 234.299 2.525 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000791051399 585972688 /nfs/dbraw/zinc/97/26/88/585972688.db2.gz CJFIAPBZFLYUSB-ZDUSSCGKSA-N 1 0 240.347 2.698 20 5 BFBDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625542 586689062 /nfs/dbraw/zinc/68/90/62/586689062.db2.gz GRGZKUUOHNNEJG-AUTRQRHGSA-N 1 0 249.314 2.626 20 5 BFBDRO CC/C=C\C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877741 587769124 /nfs/dbraw/zinc/76/91/24/587769124.db2.gz VFDQHWNUIZGTQC-UMCURTJPSA-N 1 0 249.314 2.794 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C=CCC1 ZINC000850357942 588539498 /nfs/dbraw/zinc/53/94/98/588539498.db2.gz CGZSBYKWFIROKH-SCXUMTSISA-N 1 0 244.294 2.916 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C=CCC1 ZINC000850506511 588553178 /nfs/dbraw/zinc/55/31/78/588553178.db2.gz FGWRVNHIIRXVKN-GXFFZTMASA-N 1 0 244.294 2.890 20 5 BFBDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507492 588553313 /nfs/dbraw/zinc/55/33/13/588553313.db2.gz FOLHKOYXBMLECQ-GXSJLCMTSA-N 1 0 247.298 2.546 20 5 BFBDRO C[C@@H]([NH2+]C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872015984 589855936 /nfs/dbraw/zinc/85/59/36/589855936.db2.gz AXGLNDSESRLAOI-SSDOTTSWSA-N 1 0 224.235 2.547 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC2(CC2)C1 ZINC000877556254 590357536 /nfs/dbraw/zinc/35/75/36/590357536.db2.gz NUADNYLGVAKYTB-UHFFFAOYSA-N 1 0 246.310 2.807 20 5 BFBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCCCCCC1 ZINC000885931211 592110076 /nfs/dbraw/zinc/11/00/76/592110076.db2.gz QITBAYYSSIBQGQ-UHFFFAOYSA-N 1 0 249.314 2.756 20 5 BFBDRO CC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885941618 592111725 /nfs/dbraw/zinc/11/17/25/592111725.db2.gz DEQKCRCXYRABOR-LLVKDONJSA-N 1 0 249.314 2.612 20 5 BFBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886157484 592165637 /nfs/dbraw/zinc/16/56/37/592165637.db2.gz BZKMKHSRSYARLK-NSHDSACASA-N 1 0 249.314 2.658 20 5 BFBDRO C[C@@H](CF)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000309808175 633763289 /nfs/dbraw/zinc/76/32/89/633763289.db2.gz YGVPNSYHZFDXMK-ZETCQYMHSA-N 1 0 246.669 2.696 20 5 BFBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930602008 639817530 /nfs/dbraw/zinc/81/75/30/639817530.db2.gz YLGJLAZMJMKSLT-YRGRVCCFSA-N 1 0 248.326 2.530 20 5 BFBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930602005 639817570 /nfs/dbraw/zinc/81/75/70/639817570.db2.gz YLGJLAZMJMKSLT-BZPMIXESSA-N 1 0 248.326 2.530 20 5 BFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932178546 640448353 /nfs/dbraw/zinc/44/83/53/640448353.db2.gz PFDBCRDIIHMMOR-FOGDFJRCSA-N 1 0 234.299 2.901 20 5 BFBDRO CC(C)=CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000232617234 641306441 /nfs/dbraw/zinc/30/64/41/641306441.db2.gz AXJZOUOQCCPZNX-UHFFFAOYSA-N 1 0 234.299 2.959 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774256 641371769 /nfs/dbraw/zinc/37/17/69/641371769.db2.gz ATUWALHSDZIQPN-VIFPVBQESA-N 1 0 240.278 2.964 20 5 BFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922512798 644011697 /nfs/dbraw/zinc/01/16/97/644011697.db2.gz XEDZADYCVRUREH-FOUMNBMASA-N 1 0 246.310 2.729 20 5 BFBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000930192177 646483980 /nfs/dbraw/zinc/48/39/80/646483980.db2.gz HAHUMBVFFUBNNK-LLVKDONJSA-N 1 0 242.706 2.657 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000711679882 712316847 /nfs/dbraw/zinc/31/68/47/712316847.db2.gz OSGDIBGCLHNVJD-LBPRGKRZSA-N 1 0 246.310 2.959 20 5 BFBDRO CCCCC[C@H](C)OCC[N+](C)(C)C ZINC001224772398 964934933 /nfs/dbraw/zinc/93/49/33/964934933.db2.gz ZFOCZISCBKFIRE-LBPRGKRZSA-N 1 0 202.362 2.678 20 5 BFBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959950 969309919 /nfs/dbraw/zinc/30/99/19/969309919.db2.gz YFELKKKOZVLYOS-XQHKEYJVSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007167 969328868 /nfs/dbraw/zinc/32/88/68/969328868.db2.gz LSAZQSGURHDNPA-XQHKEYJVSA-N 1 0 240.347 2.695 20 5 BFBDRO CC(C)[NH+](C(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007434 969335904 /nfs/dbraw/zinc/33/59/04/969335904.db2.gz NRSROIPZWXSSSM-NWDGAFQWSA-N 1 0 228.336 2.551 20 5 BFBDRO CCC(CC)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038982 969356132 /nfs/dbraw/zinc/35/61/32/969356132.db2.gz MDWQTJLUQRFOHM-CMPLNLGQSA-N 1 0 228.336 2.552 20 5 BFBDRO CC(C)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220418 975068833 /nfs/dbraw/zinc/06/88/33/975068833.db2.gz AAQJXEIJHJQRJX-LLVKDONJSA-N 1 0 236.315 2.866 20 5 BFBDRO Cc1c(F)ccc(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001233867043 978716357 /nfs/dbraw/zinc/71/63/57/978716357.db2.gz AJPRBJKJHQJCBK-JTQLQIEISA-N 1 0 240.342 2.916 20 5 BFBDRO Cc1c(F)ccc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234927627 978932610 /nfs/dbraw/zinc/93/26/10/978932610.db2.gz KXNAUCFBKIQOJM-SECBINFHSA-N 1 0 244.305 2.747 20 5 BFBDRO Cc1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1F ZINC001225897320 974721503 /nfs/dbraw/zinc/72/15/03/974721503.db2.gz NHRNQOSAFMTASK-SNVBAGLBSA-N 1 0 244.305 2.747 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cc(F)cc1F ZINC001225930395 974735882 /nfs/dbraw/zinc/73/58/82/974735882.db2.gz VFSMBIBBFGDIAI-QMMMGPOBSA-N 1 0 248.268 2.577 20 5 BFBDRO C[C@H](OCCC[N+](C)(C)C)C1CCCC1 ZINC001224621693 973804629 /nfs/dbraw/zinc/80/46/29/973804629.db2.gz ZLPLLHMNLVJFOS-LBPRGKRZSA-N 1 0 214.373 2.678 20 5 BFBDRO CCC[C@@H](CC)OCCC[N+](C)(C)C ZINC001224623740 973806074 /nfs/dbraw/zinc/80/60/74/973806074.db2.gz QERLGYWJTKKFQM-GFCCVEGCSA-N 1 0 202.362 2.678 20 5 BFBDRO Cc1c[nH+]ccc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216481188 971092833 /nfs/dbraw/zinc/09/28/33/971092833.db2.gz UFDCTXIVAJBYHY-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO CCC[C@H](OCC[N+](C)(C)C)[C@@H](C)CC ZINC001224773130 973938624 /nfs/dbraw/zinc/93/86/24/973938624.db2.gz DYKOSDNEYGGWJE-STQMWFEESA-N 1 0 216.389 2.924 20 5 BFBDRO CC[C@H](OCC[N+](C)(C)C)c1ccccc1F ZINC001224775993 973941478 /nfs/dbraw/zinc/94/14/78/973941478.db2.gz RBBDBHOQTXIOHC-AWEZNQCLSA-N 1 0 240.342 3.000 20 5 BFBDRO CC[C@H]1CCCC[C@H]1OCC[N+](C)(C)C ZINC001224771483 973937808 /nfs/dbraw/zinc/93/78/08/973937808.db2.gz NFCBFUYICNDDFI-QWHCGFSZSA-N 1 0 214.373 2.678 20 5 BFBDRO Cc1cccc(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001225220038 974255837 /nfs/dbraw/zinc/25/58/37/974255837.db2.gz MUDVKFBHCHTZLO-LBPRGKRZSA-N 1 0 222.352 2.777 20 5 BFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1F ZINC001225325119 974400869 /nfs/dbraw/zinc/40/08/69/974400869.db2.gz GPXXEDWCIFMQHM-NSHDSACASA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1Cl ZINC001225208819 961868517 /nfs/dbraw/zinc/86/85/17/961868517.db2.gz KKCUGFZXMIZDGW-SNVBAGLBSA-N 1 0 228.743 2.814 20 5 BFBDRO Cc1c(CNc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000231869302 962545380 /nfs/dbraw/zinc/54/53/80/962545380.db2.gz ZSXKSSIDZRLVFV-UHFFFAOYSA-N 1 0 243.266 2.910 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ccncc21 ZINC001226612912 963264550 /nfs/dbraw/zinc/26/45/50/963264550.db2.gz HRPKAWCQPRIMMS-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O)cc1Cl ZINC001227444468 963525828 /nfs/dbraw/zinc/52/58/28/963525828.db2.gz BQBDJVQROKDCAI-VIFPVBQESA-O 1 0 244.742 2.519 20 5 BFBDRO C[N+](C)(C)CCCO[C@@H]1CC2CCC1CC2 ZINC001224623303 964815434 /nfs/dbraw/zinc/81/54/34/964815434.db2.gz LWKZOCGCCIPDSL-JXQTWKCFSA-N 1 0 226.384 2.678 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OCC1Cc2ccccc2C1 ZINC001224803118 964959947 /nfs/dbraw/zinc/95/99/47/964959947.db2.gz OWJFUQXEKHOWOX-ZDUSSCGKSA-N 1 0 248.390 2.513 20 5 BFBDRO CC(C)CC[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC001168529314 966748418 /nfs/dbraw/zinc/74/84/18/966748418.db2.gz KIYZAIIJBJMNNG-NSHDSACASA-N 1 0 230.352 2.704 20 5 BFBDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000698324483 968228938 /nfs/dbraw/zinc/22/89/38/968228938.db2.gz ANKBFPJKWNZJDP-CMPLNLGQSA-N 1 0 232.283 2.964 20 5 BFBDRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977250 969295719 /nfs/dbraw/zinc/29/57/19/969295719.db2.gz JCKDOXBRXPIMKV-XQQFMLRXSA-N 1 0 242.363 2.990 20 5 BFBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168978133 969298544 /nfs/dbraw/zinc/29/85/44/969298544.db2.gz OPBQAFSZJMFVPT-GVXVVHGQSA-N 1 0 240.347 2.600 20 5 BFBDRO CC1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168959170 969309433 /nfs/dbraw/zinc/30/94/33/969309433.db2.gz UJQZMZHMAINMAU-KPFVRQRISA-N 1 0 240.347 2.600 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001168958511 969309662 /nfs/dbraw/zinc/30/96/62/969309662.db2.gz NRFFSFKXHRMGHF-OLZOCXBDSA-N 1 0 240.347 2.602 20 5 BFBDRO CCC[NH+](CCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006389 969329474 /nfs/dbraw/zinc/32/94/74/969329474.db2.gz HMNOSTXDEYNHTG-NWDGAFQWSA-N 1 0 228.336 2.554 20 5 BFBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169007408 969329561 /nfs/dbraw/zinc/32/95/61/969329561.db2.gz NJSMFIJCHNSOMZ-YPMHNXCESA-N 1 0 240.347 2.696 20 5 BFBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169007407 969330529 /nfs/dbraw/zinc/33/05/29/969330529.db2.gz NJSMFIJCHNSOMZ-WCQYABFASA-N 1 0 240.347 2.696 20 5 BFBDRO CCCC[N@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008039 969334620 /nfs/dbraw/zinc/33/46/20/969334620.db2.gz QXOGNBBUABQOHI-NEPJUHHUSA-N 1 0 228.336 2.554 20 5 BFBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012276 969339311 /nfs/dbraw/zinc/33/93/11/969339311.db2.gz OXHFRXHXBZJJON-FRRDWIJNSA-N 1 0 240.347 2.554 20 5 BFBDRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986679 969340988 /nfs/dbraw/zinc/34/09/88/969340988.db2.gz YHIAXUCFNUYDQE-TUAOUCFPSA-N 1 0 240.347 2.600 20 5 BFBDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986681 969342851 /nfs/dbraw/zinc/34/28/51/969342851.db2.gz YHIAXUCFNUYDQE-WOPDTQHZSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H]1CCCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027503 969344869 /nfs/dbraw/zinc/34/48/69/969344869.db2.gz QRBNKXKUVFAVGW-AGIUHOORSA-N 1 0 240.347 2.696 20 5 BFBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990201 969345532 /nfs/dbraw/zinc/34/55/32/969345532.db2.gz YFELKKKOZVLYOS-YVECIDJPSA-N 1 0 240.347 2.600 20 5 BFBDRO C[N@H+](CC1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040107 969355504 /nfs/dbraw/zinc/35/55/04/969355504.db2.gz XXTZLBMVFDLCBP-OLZOCXBDSA-N 1 0 240.347 2.554 20 5 BFBDRO CCC(CC)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038985 969357075 /nfs/dbraw/zinc/35/70/75/969357075.db2.gz MDWQTJLUQRFOHM-ZYHUDNBSSA-N 1 0 228.336 2.552 20 5 BFBDRO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169038270 969357924 /nfs/dbraw/zinc/35/79/24/969357924.db2.gz XOIUVCQHBJJPIO-FVCCEPFGSA-N 1 0 240.347 2.552 20 5 BFBDRO CCC(CC)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038984 969358278 /nfs/dbraw/zinc/35/82/78/969358278.db2.gz MDWQTJLUQRFOHM-PWSUYJOCSA-N 1 0 228.336 2.552 20 5 BFBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044564 969359887 /nfs/dbraw/zinc/35/98/87/969359887.db2.gz IKDDBXDZYDYDCZ-AGIUHOORSA-N 1 0 240.347 2.552 20 5 BFBDRO CCCC[N@H+](CCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023257 969363567 /nfs/dbraw/zinc/36/35/67/969363567.db2.gz DVDJTRYHDQWJRK-STQMWFEESA-N 1 0 242.363 2.944 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(C)C1 ZINC001254550950 969737345 /nfs/dbraw/zinc/73/73/45/969737345.db2.gz TXJBWNSTCDJIPH-NSHDSACASA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001254551006 969738570 /nfs/dbraw/zinc/73/85/70/969738570.db2.gz VFIKOOJZSNJRQU-NSHDSACASA-N 1 0 234.299 2.622 20 5 BFBDRO CCC[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575388 969740026 /nfs/dbraw/zinc/74/00/26/969740026.db2.gz QIPAURLCCMLNIQ-MFKMUULPSA-N 1 0 248.326 2.840 20 5 BFBDRO CC(C)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568398 969741605 /nfs/dbraw/zinc/74/16/05/969741605.db2.gz UFUOLMXPGQENSZ-ZDUSSCGKSA-N 1 0 248.326 2.698 20 5 BFBDRO Cc1cc(Nc2ccc(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001213660102 970369797 /nfs/dbraw/zinc/36/97/97/970369797.db2.gz QYDYWVMNOSMOOW-UHFFFAOYSA-N 1 0 243.266 2.772 20 5 BFBDRO Cc1cccc(C)c1CO[C@@H](C)C[N+](C)(C)C ZINC001222829309 972704937 /nfs/dbraw/zinc/70/49/37/972704937.db2.gz YSTULFUEZACDLW-AWEZNQCLSA-N 1 0 236.379 2.915 20 5 BFBDRO C=Cc1ccc(CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001223151698 972859583 /nfs/dbraw/zinc/85/95/83/972859583.db2.gz PBOOHNVIBQWGCS-CYBMUJFWSA-N 1 0 234.363 2.941 20 5 BFBDRO C[C@H]1CC(OCCC[N+](C)(C)C)C[C@H](C)C1 ZINC001224621966 973804333 /nfs/dbraw/zinc/80/43/33/973804333.db2.gz DJNCUYOPZNBLTI-CHWSQXEVSA-N 1 0 228.400 2.924 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OCC1CC(C)(C)C1 ZINC001224768594 973930302 /nfs/dbraw/zinc/93/03/02/973930302.db2.gz DSZBNYJACKIACR-NSHDSACASA-N 1 0 214.373 2.534 20 5 BFBDRO C[C@H]1C[C@H](OCC[N+](C)(C)C)CC(C)(C)C1 ZINC001224773173 973936489 /nfs/dbraw/zinc/93/64/89/973936489.db2.gz FGISIIKIMOJEHM-STQMWFEESA-N 1 0 228.400 2.924 20 5 BFBDRO CC(C)C[C@@H](OCC[N+](C)(C)C)C(C)C ZINC001224776210 973940170 /nfs/dbraw/zinc/94/01/70/973940170.db2.gz SXPJECCYBHLEQE-CYBMUJFWSA-N 1 0 216.389 2.780 20 5 BFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001225245567 974303801 /nfs/dbraw/zinc/30/38/01/974303801.db2.gz MDNCPQUBRQTPNK-ZDUSSCGKSA-N 1 0 222.352 2.777 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cccnc21 ZINC001225293252 974367346 /nfs/dbraw/zinc/36/73/46/974367346.db2.gz RHRSASXVVGZGIQ-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO CC(C)c1ncccc1O[C@H](C)C[N+](C)(C)C ZINC001225521602 974536002 /nfs/dbraw/zinc/53/60/02/974536002.db2.gz JLJOZSKAGUMOLD-GFCCVEGCSA-N 1 0 237.367 2.679 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(Cl)c1 ZINC001225917276 974728403 /nfs/dbraw/zinc/72/84/03/974728403.db2.gz IFSYCEAQQOHURZ-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC1 ZINC001173216890 975071616 /nfs/dbraw/zinc/07/16/16/975071616.db2.gz NMEZKVGTSINTRT-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C1 ZINC001173221535 975073866 /nfs/dbraw/zinc/07/38/66/975073866.db2.gz JQKFEAUCHGBABE-VXGBXAGGSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]1C ZINC001173223087 975074181 /nfs/dbraw/zinc/07/41/81/975074181.db2.gz XHUDLXSLFVDWRM-GHMZBOCLSA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001173223926 975075067 /nfs/dbraw/zinc/07/50/67/975075067.db2.gz BRXGYUVWPSUGQK-LLVKDONJSA-N 1 0 234.299 2.622 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CC1 ZINC001173210510 975077003 /nfs/dbraw/zinc/07/70/03/975077003.db2.gz LHNIMPRQNSLZHN-QWRGUYRKSA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(F)c1Cl ZINC001226829903 975108842 /nfs/dbraw/zinc/10/88/42/975108842.db2.gz SXXXFYLJJBOFKF-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO Cc1cc(F)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227847060 975735962 /nfs/dbraw/zinc/73/59/62/975735962.db2.gz CVZPFQUXAQEXDX-NSHDSACASA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1ccn2C ZINC001229047499 976673971 /nfs/dbraw/zinc/67/39/71/976673971.db2.gz QDOJGHOSYCHJNV-GFCCVEGCSA-N 1 0 247.362 2.652 20 5 BFBDRO Cc1cc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2[nH]1 ZINC001229829767 977000993 /nfs/dbraw/zinc/00/09/93/977000993.db2.gz ZNRRAHBIHYAQSQ-LBPRGKRZSA-N 1 0 247.362 2.950 20 5 BFBDRO CCOc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001230555147 977248779 /nfs/dbraw/zinc/24/87/79/977248779.db2.gz FYENXPGFJKAISY-GFCCVEGCSA-N 1 0 238.351 2.559 20 5 BFBDRO Cc1c[nH+]ccc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734336 977669080 /nfs/dbraw/zinc/66/90/80/977669080.db2.gz FTQPMYXDILWKGI-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[C@H]1C ZINC001177268388 978319032 /nfs/dbraw/zinc/31/90/32/978319032.db2.gz XXGTUWFCQKKSJC-ZYHUDNBSSA-N 1 0 248.326 2.957 20 5 BFBDRO Cc1cccc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC000002040730 978379226 /nfs/dbraw/zinc/37/92/26/978379226.db2.gz ICAMHOVYZXWWAT-ZDUSSCGKSA-N 1 0 222.352 2.777 20 5 BFBDRO Cc1noc2cccc(O[C@H](C)C[N+](C)(C)C)c12 ZINC001233666701 978667692 /nfs/dbraw/zinc/66/76/92/978667692.db2.gz GARZUSPQZMQRGI-SNVBAGLBSA-N 1 0 249.334 2.610 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2occc2c1 ZINC001233676279 978670778 /nfs/dbraw/zinc/67/07/78/978670778.db2.gz DWKDXBZTXMTKPM-LLVKDONJSA-N 1 0 234.319 2.906 20 5 BFBDRO Cc1ncc(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001233932299 978734008 /nfs/dbraw/zinc/73/40/08/978734008.db2.gz QQQXXHKXSQSNIS-SECBINFHSA-N 1 0 243.758 2.517 20 5 BFBDRO CC[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC001473403214 983883731 /nfs/dbraw/zinc/88/37/31/983883731.db2.gz SLSQXGYXMYNKDP-QWRGUYRKSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@@H](C1CC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930442717 984955506 /nfs/dbraw/zinc/95/55/06/984955506.db2.gz YEMWSXFABJMSFN-NSHDSACASA-N 1 0 248.326 2.868 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCCCF)C2 ZINC001323545042 988549636 /nfs/dbraw/zinc/54/96/36/988549636.db2.gz DEZSJJVHCKJWKZ-UHFFFAOYSA-N 1 0 238.262 2.660 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(CCC3)C2)cc1 ZINC001308809918 991143229 /nfs/dbraw/zinc/14/32/29/991143229.db2.gz PJRZFQRRQRTNQD-UHFFFAOYSA-N 1 0 246.310 2.623 20 5 BFBDRO CC1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001333466926 994462716 /nfs/dbraw/zinc/46/27/16/994462716.db2.gz OHUTZXQHLFOTRK-UHFFFAOYSA-N 1 0 249.314 2.612 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H](C)F ZINC000339492215 178271556 /nfs/dbraw/zinc/27/15/56/178271556.db2.gz DPLRCFVHZZHCGY-SNVBAGLBSA-N 1 0 240.278 2.741 20 5 BFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000285212576 398319064 /nfs/dbraw/zinc/31/90/64/398319064.db2.gz DTHBDMJFKMCABF-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO C[C@H](F)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000351851804 136257912 /nfs/dbraw/zinc/25/79/12/136257912.db2.gz JYBSLSPYWLXYDX-JTQLQIEISA-N 1 0 240.278 2.775 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C)(C)C1 ZINC000602750736 349730359 /nfs/dbraw/zinc/73/03/59/349730359.db2.gz BOZXDIDRIYQIAV-UHFFFAOYSA-N 1 0 234.299 2.745 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000336715658 178625872 /nfs/dbraw/zinc/62/58/72/178625872.db2.gz SSGTXFVPTNTKEZ-JOYOIKCWSA-N 1 0 234.299 2.791 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC=CC1 ZINC000610741121 344144552 /nfs/dbraw/zinc/14/45/52/344144552.db2.gz JZDLCPQUFCHBPL-ALCCZGGFSA-N 1 0 244.294 2.916 20 5 BFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000119631304 344443644 /nfs/dbraw/zinc/44/36/44/344443644.db2.gz ZISGZRSWMUORKH-MRVPVSSYSA-N 1 0 240.328 2.935 20 5 BFBDRO CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000338922450 344591089 /nfs/dbraw/zinc/59/10/89/344591089.db2.gz XTVHBDMVIIPUBY-UHFFFAOYSA-N 1 0 238.287 2.531 20 5 BFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076110464 344794752 /nfs/dbraw/zinc/79/47/52/344794752.db2.gz GPSIBENPKSYLFT-PHIMTYICSA-N 1 0 234.299 2.683 20 5 BFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145070249 345929473 /nfs/dbraw/zinc/92/94/73/345929473.db2.gz FSLXLWZRBSVFPS-GFCCVEGCSA-N 1 0 234.299 2.969 20 5 BFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000183263397 347123410 /nfs/dbraw/zinc/12/34/10/347123410.db2.gz UGRYSIAUEJQFMP-UHFFFAOYSA-N 1 0 234.299 2.888 20 5 BFBDRO Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000594953321 348147897 /nfs/dbraw/zinc/14/78/97/348147897.db2.gz RPRKWHMEBRIRIX-JSGCOSHPSA-N 1 0 246.310 2.935 20 5 BFBDRO Cc1c(C[N@@H+]2CC[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595808581 348348775 /nfs/dbraw/zinc/34/87/75/348348775.db2.gz OCSKISLPAJGHFC-AAEUAGOBSA-N 1 0 246.310 2.745 20 5 BFBDRO CC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000395105987 323187058 /nfs/dbraw/zinc/18/70/58/323187058.db2.gz GTHSJEYLQBXENF-UTCJRWHESA-N 1 0 220.272 2.651 20 5 BFBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000159182742 349416499 /nfs/dbraw/zinc/41/64/99/349416499.db2.gz UGRRDRQXVFMZBR-SKDRFNHKSA-N 1 0 234.299 2.649 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCF ZINC000309455996 350513422 /nfs/dbraw/zinc/51/34/22/350513422.db2.gz NPUYQRCYCNOOKW-VIFPVBQESA-N 1 0 226.251 2.523 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000309531266 350702584 /nfs/dbraw/zinc/70/25/84/350702584.db2.gz VZTUZRJWSUXDCW-JZYVYDRUSA-N 1 0 238.312 2.544 20 5 BFBDRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000342862378 350816861 /nfs/dbraw/zinc/81/68/61/350816861.db2.gz SMPROEWEFRDHNC-LBPRGKRZSA-N 1 0 234.299 2.825 20 5 BFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086119122 350948430 /nfs/dbraw/zinc/94/84/30/350948430.db2.gz LWHVFGPWLBNPNX-CYBMUJFWSA-N 1 0 234.299 2.873 20 5 BFBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086119781 350948826 /nfs/dbraw/zinc/94/88/26/350948826.db2.gz VWRVLXXPZKKRIL-GFCCVEGCSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC(F)(F)F)c1 ZINC000063099224 351123122 /nfs/dbraw/zinc/12/31/22/351123122.db2.gz ITPFZFORCJMFJQ-UHFFFAOYSA-N 1 0 248.204 2.637 20 5 BFBDRO CC[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000054468871 363177970 /nfs/dbraw/zinc/17/79/70/363177970.db2.gz UNGCSSWFOOGIDN-MRVPVSSYSA-N 1 0 228.317 2.792 20 5 BFBDRO Cc1ccc(C[NH2+]Cc2ccoc2)cc1[N+](=O)[O-] ZINC000069833089 352492743 /nfs/dbraw/zinc/49/27/43/352492743.db2.gz HBPDRJOJHVMXNY-UHFFFAOYSA-N 1 0 246.266 2.786 20 5 BFBDRO CC1(C)CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000290197053 188268651 /nfs/dbraw/zinc/26/86/51/188268651.db2.gz UHEVJEXGYONBKM-SECBINFHSA-N 1 0 240.328 2.935 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449739459 202016461 /nfs/dbraw/zinc/01/64/61/202016461.db2.gz AOUJWGWRHHZDEP-STQMWFEESA-N 1 0 246.310 2.731 20 5 BFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000420275236 192198671 /nfs/dbraw/zinc/19/86/71/192198671.db2.gz GOPYPHLECNYTHI-WDEREUQCSA-N 1 0 249.314 2.524 20 5 BFBDRO Cc1ccc(C[NH+]2CC(C(C)C)C2)cc1[N+](=O)[O-] ZINC000619431164 358016548 /nfs/dbraw/zinc/01/65/48/358016548.db2.gz SXAVZDXEHGOTOY-UHFFFAOYSA-N 1 0 248.326 2.991 20 5 BFBDRO CC(C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606373 359970516 /nfs/dbraw/zinc/97/05/16/359970516.db2.gz SYMOXMGCDFSZCC-UHFFFAOYSA-N 1 0 234.299 2.609 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000385896137 360439870 /nfs/dbraw/zinc/43/98/70/360439870.db2.gz DYTBPROFGHRSOZ-MDZLAQPJSA-N 1 0 248.326 2.771 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000037668272 364460826 /nfs/dbraw/zinc/46/08/26/364460826.db2.gz WENHDMWPXXIMSY-UHFFFAOYSA-N 1 0 248.307 2.946 20 5 BFBDRO CSCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000068995296 370871265 /nfs/dbraw/zinc/87/12/65/370871265.db2.gz WKGOQVDLYFRELQ-SECBINFHSA-N 1 0 240.328 2.608 20 5 BFBDRO CN(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042366682 368306271 /nfs/dbraw/zinc/30/62/71/368306271.db2.gz VXWIILZYPWACOL-UHFFFAOYSA-N 1 0 246.266 2.820 20 5 BFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000387944048 369400496 /nfs/dbraw/zinc/40/04/96/369400496.db2.gz AVRYJQZZJLXDJL-ZJUUUORDSA-N 1 0 240.328 2.792 20 5 BFBDRO CC(C)[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000077897091 370493424 /nfs/dbraw/zinc/49/34/24/370493424.db2.gz XIRLJTJXODITNT-NSHDSACASA-N 1 0 236.315 2.977 20 5 BFBDRO C[C@H]([NH2+]CC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000601288332 371744671 /nfs/dbraw/zinc/74/46/71/371744671.db2.gz UPMVLEHSSNTPMX-VIFPVBQESA-N 1 0 240.278 2.994 20 5 BFBDRO CC1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602642618 371826316 /nfs/dbraw/zinc/82/63/16/371826316.db2.gz DFABXTUYEFSRAC-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000353799746 371959097 /nfs/dbraw/zinc/95/90/97/371959097.db2.gz ACTHWJDTIUNNCN-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183253113 169082106 /nfs/dbraw/zinc/08/21/06/169082106.db2.gz HAWAOOVDMNQZEK-UHFFFAOYSA-N 1 0 222.288 2.745 20 5 BFBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774243 169128834 /nfs/dbraw/zinc/12/88/34/169128834.db2.gz VGXVNQLYZLAHAO-UHFFFAOYSA-N 1 0 240.278 2.966 20 5 BFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000132145941 384215674 /nfs/dbraw/zinc/21/56/74/384215674.db2.gz MKSXONCITPZDLF-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000336796083 384283545 /nfs/dbraw/zinc/28/35/45/384283545.db2.gz PGYPFZZHCZLEAE-SUNKGSAMSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000336796084 384283974 /nfs/dbraw/zinc/28/39/74/384283974.db2.gz PGYPFZZHCZLEAE-UHIISALHSA-N 1 0 248.326 2.771 20 5 BFBDRO CCC[C@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337310671 384396740 /nfs/dbraw/zinc/39/67/40/384396740.db2.gz BEFNBHDVOWPZIJ-JTQLQIEISA-N 1 0 249.314 2.537 20 5 BFBDRO CSCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070184426 384465691 /nfs/dbraw/zinc/46/56/91/384465691.db2.gz PFLHRKLMCFLXCZ-SECBINFHSA-N 1 0 240.328 2.608 20 5 BFBDRO CC(C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255613003 384893762 /nfs/dbraw/zinc/89/37/62/384893762.db2.gz LNLSAJJLIITZLE-VURMDHGXSA-N 1 0 234.299 2.948 20 5 BFBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000226785397 384900196 /nfs/dbraw/zinc/90/01/96/384900196.db2.gz JBSVOXASYINYML-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340462823 385228223 /nfs/dbraw/zinc/22/82/23/385228223.db2.gz PYKQWXXXOOFUJX-UWVGGRQHSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@@H]([NH2+]CC[C@H](C)F)c1cccc([N+](=O)[O-])c1 ZINC000340466486 385276207 /nfs/dbraw/zinc/27/62/07/385276207.db2.gz ZKBUMCJKHDBCJQ-VHSXEESVSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000341288041 385488467 /nfs/dbraw/zinc/48/84/67/385488467.db2.gz ZKSFVKQUBBUTMQ-JTQLQIEISA-N 1 0 245.282 2.774 20 5 BFBDRO CC(C)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000292855001 385728866 /nfs/dbraw/zinc/72/88/66/385728866.db2.gz AGIMIQPCSJKZSC-UHFFFAOYSA-N 1 0 240.328 2.935 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000569472801 385991533 /nfs/dbraw/zinc/99/15/33/385991533.db2.gz SQBNGDNXWIBOCI-IMRBUKKESA-N 1 0 246.310 2.791 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C=CCCC2)cc1 ZINC000151173887 386515573 /nfs/dbraw/zinc/51/55/73/386515573.db2.gz YKTQPVODTQFBIS-LBPRGKRZSA-N 1 0 232.283 2.793 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248370185 386555398 /nfs/dbraw/zinc/55/53/98/386555398.db2.gz XDURKVFYQSCCHB-MNOVXSKESA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414098861 387019107 /nfs/dbraw/zinc/01/91/07/387019107.db2.gz JGJBPUMFSQPAIZ-WZRBSPASSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000414103685 387019855 /nfs/dbraw/zinc/01/98/55/387019855.db2.gz NTNQIUABBYFHAQ-UHIISALHSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@@H]([NH2+]CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176790 388191463 /nfs/dbraw/zinc/19/14/63/388191463.db2.gz VUFMYGKJPCJOHY-SECBINFHSA-N 1 0 220.272 2.655 20 5 BFBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000193415835 388347455 /nfs/dbraw/zinc/34/74/55/388347455.db2.gz FBJPDULJIUUDOI-UHFFFAOYSA-N 1 0 228.317 2.887 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153022070 388395879 /nfs/dbraw/zinc/39/58/79/388395879.db2.gz FZFCAXAQFJBPBS-TXEJJXNPSA-N 1 0 246.310 2.827 20 5 BFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000173921226 388432065 /nfs/dbraw/zinc/43/20/65/388432065.db2.gz HWBVWZSSYJGXSM-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H](C1CC1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000076873114 388508365 /nfs/dbraw/zinc/50/83/65/388508365.db2.gz WHTSJURSUXIFOJ-NSHDSACASA-N 1 0 248.326 2.868 20 5 BFBDRO CC(C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449069746 388746553 /nfs/dbraw/zinc/74/65/53/388746553.db2.gz HZQUNYYCHIUEOY-JTQLQIEISA-N 1 0 222.288 2.524 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449430793 388749000 /nfs/dbraw/zinc/74/90/00/388749000.db2.gz YLYJVZXJEXLBKF-CQSZACIVSA-N 1 0 246.310 2.888 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424182714 388694898 /nfs/dbraw/zinc/69/48/98/388694898.db2.gz HGFVAQQPVYZOFQ-GFCCVEGCSA-N 1 0 232.283 2.545 20 5 BFBDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326263 388695803 /nfs/dbraw/zinc/69/58/03/388695803.db2.gz OSCKTCMXGRTTAF-SKDRFNHKSA-N 1 0 232.283 2.798 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426456816 388710751 /nfs/dbraw/zinc/71/07/51/388710751.db2.gz XACOUCSRSLRATQ-TZMCWYRMSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426455011 388710902 /nfs/dbraw/zinc/71/09/02/388710902.db2.gz SAVZFWBSWSVFEP-AAEUAGOBSA-N 1 0 246.310 2.969 20 5 BFBDRO CC[C@@H](C)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000170916210 134255468 /nfs/dbraw/zinc/25/54/68/134255468.db2.gz QNLHDALWXYOUIG-SECBINFHSA-N 1 0 240.278 2.964 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342279265 135255636 /nfs/dbraw/zinc/25/56/36/135255636.db2.gz DFKPYDOBDFKFKE-GHMZBOCLSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348086369 136034799 /nfs/dbraw/zinc/03/47/99/136034799.db2.gz YVSIFOOASPYODV-STQMWFEESA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348085672 136035031 /nfs/dbraw/zinc/03/50/31/136035031.db2.gz XUBUGASJSABCBC-KBPBESRZSA-N 1 0 246.310 2.873 20 5 BFBDRO CC(C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053302359 167109730 /nfs/dbraw/zinc/10/97/30/167109730.db2.gz KKFQCVYKZVKHLG-UHFFFAOYSA-N 1 0 242.706 2.789 20 5 BFBDRO CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721052 170143605 /nfs/dbraw/zinc/14/36/05/170143605.db2.gz KNKXMWCYWVRHCO-NSHDSACASA-N 1 0 208.261 2.655 20 5 BFBDRO CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000042399423 170166443 /nfs/dbraw/zinc/16/64/43/170166443.db2.gz YBNYGMKUDOGVLF-YPMHNXCESA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125071887 171010695 /nfs/dbraw/zinc/01/06/95/171010695.db2.gz VLAWKMYBONCBQQ-LLVKDONJSA-N 1 0 234.299 2.827 20 5 BFBDRO C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000042975700 176074275 /nfs/dbraw/zinc/07/42/75/176074275.db2.gz OPCPVIGJIWJVIO-LLVKDONJSA-N 1 0 234.299 2.969 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C1 ZINC000299569524 176179756 /nfs/dbraw/zinc/17/97/56/176179756.db2.gz BJVTXEZQVTVLGH-GHMZBOCLSA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000071207451 177142261 /nfs/dbraw/zinc/14/22/61/177142261.db2.gz QXZZFLQJVXRONL-SMDDNHRTSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350832528 177163222 /nfs/dbraw/zinc/16/32/22/177163222.db2.gz NUHMKVCVBQLDJN-VIFPVBQESA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248370186 177164764 /nfs/dbraw/zinc/16/47/64/177164764.db2.gz XDURKVFYQSCCHB-QWRGUYRKSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000177904069 177166583 /nfs/dbraw/zinc/16/65/83/177166583.db2.gz NVOKELIKMCTFQL-DTWKUNHWSA-N 1 0 240.328 2.887 20 5 BFBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309051157 177195874 /nfs/dbraw/zinc/19/58/74/177195874.db2.gz PVWHUTYMSIMKNL-CBAPKCEASA-N 1 0 226.301 2.544 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000532373273 323256082 /nfs/dbraw/zinc/25/60/82/323256082.db2.gz HLGMUDIMPUMYJH-UHFFFAOYSA-N 1 0 232.283 2.627 20 5 BFBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000230673884 323398038 /nfs/dbraw/zinc/39/80/38/323398038.db2.gz GCNXVRRAVJCYOM-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCCC3)cc1 ZINC000566596418 326066833 /nfs/dbraw/zinc/06/68/33/326066833.db2.gz FTMBOBGDETWQQA-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000092731162 535157202 /nfs/dbraw/zinc/15/72/02/535157202.db2.gz WLSORLCMSQRFTM-DHZHZOJOSA-N 1 0 234.299 2.998 20 5 BFBDRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000348123578 536099378 /nfs/dbraw/zinc/09/93/78/536099378.db2.gz VHFHRSUMMKHJCU-GXTWGEPZSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464689 583988624 /nfs/dbraw/zinc/98/86/24/583988624.db2.gz OKKINZVVPCGUCR-UTUOFQBUSA-N 1 0 248.326 2.944 20 5 BFBDRO CC(C)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466370 583988875 /nfs/dbraw/zinc/98/88/75/583988875.db2.gz SKNWYOMSHPFEFM-NSHDSACASA-N 1 0 236.315 2.944 20 5 BFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccoc2)c1 ZINC000758612872 585357898 /nfs/dbraw/zinc/35/78/98/585357898.db2.gz ZHIDHIKZZSJTDK-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761087335 585407678 /nfs/dbraw/zinc/40/76/78/585407678.db2.gz FCJPCGWBYUGUHH-BREBYQMCSA-N 1 0 232.283 2.750 20 5 BFBDRO C[C@@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000783258992 585832723 /nfs/dbraw/zinc/83/27/23/585832723.db2.gz SMGZNWRMIYALBM-MFKMUULPSA-N 1 0 234.299 2.525 20 5 BFBDRO CCC1CCC([N@H+](CC[N+](=O)[O-])C2CC2)CC1 ZINC000791053812 585973338 /nfs/dbraw/zinc/97/33/38/585973338.db2.gz QEANDAUJOYQNCN-UHFFFAOYSA-N 1 0 240.347 2.696 20 5 BFBDRO C[C@@H](C1CC1)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000798194230 586139492 /nfs/dbraw/zinc/13/94/92/586139492.db2.gz XSEHPXASGDOMLR-LBPRGKRZSA-N 1 0 248.326 2.564 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625543 586689331 /nfs/dbraw/zinc/68/93/31/586689331.db2.gz GRGZKUUOHNNEJG-HOTUBEGUSA-N 1 0 249.314 2.626 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(C)C1 ZINC000877489257 590338881 /nfs/dbraw/zinc/33/88/81/590338881.db2.gz SFJOFHWCJLJCFU-UHFFFAOYSA-N 1 0 234.299 2.663 20 5 BFBDRO CC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885941619 592112214 /nfs/dbraw/zinc/11/22/14/592112214.db2.gz DEQKCRCXYRABOR-NSHDSACASA-N 1 0 249.314 2.612 20 5 BFBDRO C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886019584 592132930 /nfs/dbraw/zinc/13/29/30/592132930.db2.gz XFCPDTZIENLUCF-QWRGUYRKSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886027045 592135447 /nfs/dbraw/zinc/13/54/47/592135447.db2.gz BPGHVJFCUMJDKH-JQWIXIFHSA-N 1 0 249.314 2.610 20 5 BFBDRO O=[N+]([O-])CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000905232753 637692471 /nfs/dbraw/zinc/69/24/71/637692471.db2.gz YQTHHIJVEOTEDV-UHFFFAOYSA-N 1 0 240.347 2.746 20 5 BFBDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905211723 637698312 /nfs/dbraw/zinc/69/83/12/637698312.db2.gz FKIVAUBUJGRBQX-BXUZGUMPSA-N 1 0 248.326 2.566 20 5 BFBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000929833218 641723747 /nfs/dbraw/zinc/72/37/47/641723747.db2.gz GEHJMVWYWAEICI-CQSZACIVSA-N 1 0 248.326 2.717 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774364 644727474 /nfs/dbraw/zinc/72/74/74/644727474.db2.gz IPJFSBXAIVKBIW-VIFPVBQESA-N 1 0 238.262 2.718 20 5 BFBDRO Cc1c(C[NH2+]C[C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000711679571 712316525 /nfs/dbraw/zinc/31/65/25/712316525.db2.gz NDCWSFCWPYHQDD-LBPRGKRZSA-N 1 0 246.310 2.959 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1CCC2 ZINC001226794097 963360078 /nfs/dbraw/zinc/36/00/78/963360078.db2.gz GUZJBUGAQVCJQE-GFCCVEGCSA-N 1 0 234.363 2.649 20 5 BFBDRO CC(C)CC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC001168529313 966748356 /nfs/dbraw/zinc/74/83/56/966748356.db2.gz KIYZAIIJBJMNNG-LLVKDONJSA-N 1 0 230.352 2.704 20 5 BFBDRO CC1(C)CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996510 969326500 /nfs/dbraw/zinc/32/65/00/969326500.db2.gz VKEXYQMLUCVKPK-TUAOUCFPSA-N 1 0 240.347 2.600 20 5 BFBDRO CCCCC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007082 969331144 /nfs/dbraw/zinc/33/11/44/969331144.db2.gz KUCPPXGLUBTVQB-NWDGAFQWSA-N 1 0 228.336 2.554 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c(F)c1 ZINC001225782282 974682028 /nfs/dbraw/zinc/68/20/28/974682028.db2.gz QECYEWUCIFOFDY-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@H](Cc1ccccc1)OCCC[N+](C)(C)C ZINC001224624587 973807898 /nfs/dbraw/zinc/80/78/98/973807898.db2.gz XUGMOYAGUAMBBT-CQSZACIVSA-N 1 0 236.379 2.731 20 5 BFBDRO CC1(C)CCC(OCC[N+](C)(C)C)CC1 ZINC001224772216 973938579 /nfs/dbraw/zinc/93/85/79/973938579.db2.gz XBRWVEAVBHXFDS-UHFFFAOYSA-N 1 0 214.373 2.678 20 5 BFBDRO CC/C=C(\C)[C@@H](CC)OCC[N+](C)(C)C ZINC001224773559 973941384 /nfs/dbraw/zinc/94/13/84/973941384.db2.gz JZHLUTHQJMYBNS-CNELAYHGSA-N 1 0 214.373 2.844 20 5 BFBDRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)C)C2 ZINC001224776269 973942221 /nfs/dbraw/zinc/94/22/21/973942221.db2.gz UENVGQDBKCRQAX-GZBFAFLISA-N 1 0 240.411 2.924 20 5 BFBDRO Cc1c[nH+]ccc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210950533 957957438 /nfs/dbraw/zinc/95/74/38/957957438.db2.gz XULJATIYMIMDSN-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000052128482 961988533 /nfs/dbraw/zinc/98/85/33/961988533.db2.gz BEGFYICHUVZTJP-UHFFFAOYSA-N 1 0 238.262 2.576 20 5 BFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cnc1Cl ZINC001225824600 962855652 /nfs/dbraw/zinc/85/56/52/962855652.db2.gz JKGHIZPJIIJEMB-SNVBAGLBSA-N 1 0 243.758 2.517 20 5 BFBDRO Cc1ccnc(Cl)c1O[C@H](C)C[N+](C)(C)C ZINC001228989994 963939775 /nfs/dbraw/zinc/93/97/75/963939775.db2.gz SQPHLWQLEMIWBJ-SNVBAGLBSA-N 1 0 243.758 2.517 20 5 BFBDRO C[C@@H]1CC[C@@H](OCC[N+](C)(C)C)C[C@@H]1C ZINC001224774891 964937186 /nfs/dbraw/zinc/93/71/86/964937186.db2.gz HAEZAIPCWQZRSC-FRRDWIJNSA-N 1 0 214.373 2.534 20 5 BFBDRO CC(C)(C)C(=[NH2+])Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001162664722 965098278 /nfs/dbraw/zinc/09/82/78/965098278.db2.gz NFYGGQISZGWSKC-UHFFFAOYSA-N 1 0 240.238 2.564 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C=CCC2)c(F)c1 ZINC000698275973 965167205 /nfs/dbraw/zinc/16/72/05/965167205.db2.gz DVCDIURSQCEIGH-SNVBAGLBSA-N 1 0 236.246 2.542 20 5 BFBDRO Cc1ccc(CCO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001206416133 968290084 /nfs/dbraw/zinc/29/00/84/968290084.db2.gz IKKMSLQLLJSDPT-AWEZNQCLSA-N 1 0 236.379 2.649 20 5 BFBDRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977252 969295599 /nfs/dbraw/zinc/29/55/99/969295599.db2.gz JCKDOXBRXPIMKV-YNEHKIRRSA-N 1 0 242.363 2.990 20 5 BFBDRO CC(C)C([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977271 969296086 /nfs/dbraw/zinc/29/60/86/969296086.db2.gz JDTCAYDBJQFHCY-NWDGAFQWSA-N 1 0 242.363 2.702 20 5 BFBDRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977244 969296217 /nfs/dbraw/zinc/29/62/17/969296217.db2.gz JCKDOXBRXPIMKV-AVGNSLFASA-N 1 0 242.363 2.990 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001168958513 969309972 /nfs/dbraw/zinc/30/99/72/969309972.db2.gz NRFFSFKXHRMGHF-STQMWFEESA-N 1 0 240.347 2.602 20 5 BFBDRO CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168961696 969313568 /nfs/dbraw/zinc/31/35/68/969313568.db2.gz JQLYSGFDKZRNEH-VXGBXAGGSA-N 1 0 240.347 2.744 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001168966847 969318628 /nfs/dbraw/zinc/31/86/28/969318628.db2.gz LPTGHWXOMQRRTE-STQMWFEESA-N 1 0 240.347 2.602 20 5 BFBDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965317 969319464 /nfs/dbraw/zinc/31/94/64/969319464.db2.gz ZQEYAHMJFZCNMF-FVCCEPFGSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007165 969331250 /nfs/dbraw/zinc/33/12/50/969331250.db2.gz LSAZQSGURHDNPA-QNWHQSFQSA-N 1 0 240.347 2.695 20 5 BFBDRO CCCCC[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007081 969331913 /nfs/dbraw/zinc/33/19/13/969331913.db2.gz KUCPPXGLUBTVQB-NEPJUHHUSA-N 1 0 228.336 2.554 20 5 BFBDRO CCCC[N@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008040 969335947 /nfs/dbraw/zinc/33/59/47/969335947.db2.gz QXOGNBBUABQOHI-NWDGAFQWSA-N 1 0 228.336 2.554 20 5 BFBDRO CCCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991284 969344806 /nfs/dbraw/zinc/34/48/06/969344806.db2.gz GDIFHNAOHQQWJM-RYUDHWBXSA-N 1 0 240.347 2.744 20 5 BFBDRO C[C@@H]1CCCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027506 969345490 /nfs/dbraw/zinc/34/54/90/969345490.db2.gz QRBNKXKUVFAVGW-UPJWGTAASA-N 1 0 240.347 2.696 20 5 BFBDRO C[C@@H]1CCCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027505 969345842 /nfs/dbraw/zinc/34/58/42/969345842.db2.gz QRBNKXKUVFAVGW-JHJVBQTASA-N 1 0 240.347 2.696 20 5 BFBDRO C[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990198 969345964 /nfs/dbraw/zinc/34/59/64/969345964.db2.gz YFELKKKOZVLYOS-QNWHQSFQSA-N 1 0 240.347 2.600 20 5 BFBDRO CCC(CC)[N@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039053 969356073 /nfs/dbraw/zinc/35/60/73/969356073.db2.gz MVOADQSAAJKUSL-AAEUAGOBSA-N 1 0 242.363 2.942 20 5 BFBDRO CCC[N@H+](CC(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042826 969362609 /nfs/dbraw/zinc/36/26/09/969362609.db2.gz GEYIFUGZJICGFW-STQMWFEESA-N 1 0 242.363 2.800 20 5 BFBDRO CC(C)(CC1CCCCCC1)[NH2+]CC[N+](=O)[O-] ZINC001169341972 969608125 /nfs/dbraw/zinc/60/81/25/969608125.db2.gz IEXTXQIZGIBNAA-UHFFFAOYSA-N 1 0 242.363 2.992 20 5 BFBDRO CC[NH+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551110 969735823 /nfs/dbraw/zinc/73/58/23/969735823.db2.gz YDJRFZYPPLCOEB-NSHDSACASA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C1 ZINC001254553550 969735990 /nfs/dbraw/zinc/73/59/90/969735990.db2.gz XGYLBXPCRWPKAU-NEPJUHHUSA-N 1 0 248.326 2.868 20 5 BFBDRO CCC[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550029 969737646 /nfs/dbraw/zinc/73/76/46/969737646.db2.gz BTLNTJIEZNANTF-LLVKDONJSA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC1 ZINC001254551030 969737809 /nfs/dbraw/zinc/73/78/09/969737809.db2.gz WAAJDFWWCUVTAF-NSHDSACASA-N 1 0 248.326 2.868 20 5 BFBDRO CC[C@H](C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566445 969739549 /nfs/dbraw/zinc/73/95/49/969739549.db2.gz KEVSYRISQCWFHE-GXFFZTMASA-N 1 0 248.326 2.698 20 5 BFBDRO CC(C)(C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568394 969740017 /nfs/dbraw/zinc/74/00/17/969740017.db2.gz UFSSYYZFXMXCSS-GFCCVEGCSA-N 1 0 248.326 2.698 20 5 BFBDRO Cc1[nH+]cc(Nc2cc([N+](=O)[O-])ccc2C)n1C ZINC001211288194 970215151 /nfs/dbraw/zinc/21/51/51/970215151.db2.gz JTBJOAWFKZCBFI-UHFFFAOYSA-N 1 0 246.270 2.689 20 5 BFBDRO Cc1ccc(C)c(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001222908360 972742183 /nfs/dbraw/zinc/74/21/83/972742183.db2.gz JQTIZXRFCIYYPB-CQSZACIVSA-N 1 0 236.379 2.915 20 5 BFBDRO C[C@H](OCCC[N+](C)(C)C)c1cccs1 ZINC001224619803 973802863 /nfs/dbraw/zinc/80/28/63/973802863.db2.gz RAGWNVRCSUFOJJ-NSHDSACASA-N 1 0 228.381 2.922 20 5 BFBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)C1CC1 ZINC001224771415 973936599 /nfs/dbraw/zinc/93/65/99/973936599.db2.gz MBCGGINCLZWFDT-OAHLLOKOSA-N 1 0 234.363 2.861 20 5 BFBDRO CC1(C)CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224775776 973940156 /nfs/dbraw/zinc/94/01/56/973940156.db2.gz OVTUXQPDBFYXIU-LBPRGKRZSA-N 1 0 214.373 2.678 20 5 BFBDRO CC[C@@H](OCC[N+](C)(C)C)C(C)(C)C ZINC001224776506 973941728 /nfs/dbraw/zinc/94/17/28/973941728.db2.gz WPVUYZPZTOXCFT-LLVKDONJSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@@H]1CCC[C@H](OCC[N+](C)(C)C)[C@@H]1C ZINC001224775118 973942668 /nfs/dbraw/zinc/94/26/68/973942668.db2.gz IYFONEXGWOHESY-UPJWGTAASA-N 1 0 214.373 2.534 20 5 BFBDRO Cc1ccccc1CCO[C@@H](C)C[N+](C)(C)C ZINC001224870707 974042180 /nfs/dbraw/zinc/04/21/80/974042180.db2.gz NRCZIINNNONVHO-AWEZNQCLSA-N 1 0 236.379 2.649 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Cl)c1 ZINC001225231771 974279500 /nfs/dbraw/zinc/27/95/00/974279500.db2.gz MXBJEMPGLBUVCP-SNVBAGLBSA-N 1 0 228.743 2.814 20 5 BFBDRO CSc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001225668870 974635479 /nfs/dbraw/zinc/63/54/79/974635479.db2.gz SZQNRBBDWFOUPX-LLVKDONJSA-N 1 0 240.392 2.882 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cc(F)cc1F ZINC001225930394 974735133 /nfs/dbraw/zinc/73/51/33/974735133.db2.gz VFSMBIBBFGDIAI-MRVPVSSYSA-N 1 0 248.268 2.577 20 5 BFBDRO Cc1ccc(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001225994020 974757414 /nfs/dbraw/zinc/75/74/14/974757414.db2.gz CQEFCJWNJXYZDY-LLVKDONJSA-N 1 0 226.315 2.608 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC1)CC2 ZINC001172907508 974961162 /nfs/dbraw/zinc/96/11/62/974961162.db2.gz GBXHEKAUDURHHI-ZDUSSCGKSA-N 1 0 246.310 2.548 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(C)C1 ZINC001173226456 975072758 /nfs/dbraw/zinc/07/27/58/975072758.db2.gz LSTZDZCGUWSDBQ-LLVKDONJSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C ZINC001173210343 975076488 /nfs/dbraw/zinc/07/64/88/975076488.db2.gz JGORZOYZPPRTLQ-WZRBSPASSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H]1C ZINC001173211560 975076598 /nfs/dbraw/zinc/07/65/98/975076598.db2.gz SVJNHNHNDSLEAS-CWSCBRNRSA-N 1 0 234.299 2.524 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C ZINC001173211562 975077779 /nfs/dbraw/zinc/07/77/79/975077779.db2.gz SVJNHNHNDSLEAS-GIPNMCIBSA-N 1 0 234.299 2.524 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC1 ZINC001173213566 975078657 /nfs/dbraw/zinc/07/86/57/975078657.db2.gz GHAZTAUOMNKKGW-SNVBAGLBSA-N 1 0 234.299 2.668 20 5 BFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ncc1Cl ZINC001228742866 976476561 /nfs/dbraw/zinc/47/65/61/976476561.db2.gz FNQJCASJKIHSHA-JTQLQIEISA-N 1 0 243.758 2.517 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@@H]1C ZINC001177268386 978320582 /nfs/dbraw/zinc/32/05/82/978320582.db2.gz XXGTUWFCQKKSJC-JQWIXIFHSA-N 1 0 248.326 2.957 20 5 BFBDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001179837972 978761911 /nfs/dbraw/zinc/76/19/11/978761911.db2.gz GOHZPXPCQJZHAW-QWHCGFSZSA-N 1 0 234.299 2.729 20 5 BFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc(Cl)n1 ZINC001234618997 978875064 /nfs/dbraw/zinc/87/50/64/978875064.db2.gz HMMWEVOQVXJHSQ-SNVBAGLBSA-N 1 0 243.758 2.517 20 5 BFBDRO C[C@@H]1C[C@@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326304725 989476731 /nfs/dbraw/zinc/47/67/31/989476731.db2.gz GHWRQMZQDQUTGN-MWLCHTKSSA-N 1 0 232.283 2.566 20 5 BFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382479039 398173404 /nfs/dbraw/zinc/17/34/04/398173404.db2.gz DUPBTNGTOXXZGT-WDEREUQCSA-N 1 0 249.314 2.585 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000133825889 398163800 /nfs/dbraw/zinc/16/38/00/398163800.db2.gz BXMZLWUZJFSOIK-JQWIXIFHSA-N 1 0 234.299 2.649 20 5 BFBDRO CC[NH+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266667198 398191760 /nfs/dbraw/zinc/19/17/60/398191760.db2.gz NWTQSXOIIVKSIY-SNVBAGLBSA-N 1 0 222.288 2.998 20 5 BFBDRO Cc1cc(NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000051694142 178155001 /nfs/dbraw/zinc/15/50/01/178155001.db2.gz FARMESURYBILGT-UHFFFAOYSA-N 1 0 249.314 2.585 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C1 ZINC000273418582 178271074 /nfs/dbraw/zinc/27/10/74/178271074.db2.gz IZZXLQHXEACUCD-JTQLQIEISA-N 1 0 234.299 2.745 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1NC1CCC([NH3+])CC1 ZINC000051694130 178272988 /nfs/dbraw/zinc/27/29/88/178272988.db2.gz ZIMHBNNMWHMXEK-UHFFFAOYSA-N 1 0 249.314 2.585 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CF)CCC2)c1 ZINC000576635917 365644563 /nfs/dbraw/zinc/64/45/63/365644563.db2.gz KRRLTUDEDKPXQE-UHFFFAOYSA-N 1 0 238.262 2.577 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2F)cc1 ZINC000339585664 398332800 /nfs/dbraw/zinc/33/28/00/398332800.db2.gz YHVNRBQEXHGNOI-RYUDHWBXSA-N 1 0 238.262 2.575 20 5 BFBDRO CC(C)(C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726370 346915776 /nfs/dbraw/zinc/91/57/76/346915776.db2.gz SGBPNXXAFWHVLJ-UHFFFAOYSA-N 1 0 236.315 2.773 20 5 BFBDRO C[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000076111143 344795145 /nfs/dbraw/zinc/79/51/45/344795145.db2.gz QAROAUDZCGHQPE-RYUDHWBXSA-N 1 0 248.326 2.725 20 5 BFBDRO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111005 344795154 /nfs/dbraw/zinc/79/51/54/344795154.db2.gz BMXXMEFYLKSENE-GHMZBOCLSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000076113609 344796878 /nfs/dbraw/zinc/79/68/78/344796878.db2.gz VWIICEFWJDPZIP-GHMZBOCLSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248331551 345106044 /nfs/dbraw/zinc/10/60/44/345106044.db2.gz DZEWYGRYBVKGDG-RYUDHWBXSA-N 1 0 248.326 2.868 20 5 BFBDRO CC(C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449069747 201801395 /nfs/dbraw/zinc/80/13/95/201801395.db2.gz HZQUNYYCHIUEOY-SNVBAGLBSA-N 1 0 222.288 2.524 20 5 BFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000090909904 345572587 /nfs/dbraw/zinc/57/25/87/345572587.db2.gz FJLWYLUTRQYPSK-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000226257983 534918054 /nfs/dbraw/zinc/91/80/54/534918054.db2.gz PXGGEJZLCQPYIE-NSHDSACASA-N 1 0 234.299 2.731 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C1CC1 ZINC000449446129 201926630 /nfs/dbraw/zinc/92/66/30/201926630.db2.gz OWAURFCRRPQQAI-JTQLQIEISA-N 1 0 234.299 2.791 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C2CC2)C1 ZINC000589736877 346734566 /nfs/dbraw/zinc/73/45/66/346734566.db2.gz VTFQRLBZHSEQSJ-UHFFFAOYSA-N 1 0 246.310 2.745 20 5 BFBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC=CC1 ZINC000594508942 348065067 /nfs/dbraw/zinc/06/50/67/348065067.db2.gz FHLWJUWOCKLKOP-UHFFFAOYSA-N 1 0 232.283 2.793 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000594954417 348148375 /nfs/dbraw/zinc/14/83/75/348148375.db2.gz ZQLBGVCTTPGVBZ-TZMCWYRMSA-N 1 0 246.310 2.935 20 5 BFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000595326805 348227351 /nfs/dbraw/zinc/22/73/51/348227351.db2.gz LTDGOKUPWBRRII-UHFFFAOYSA-N 1 0 238.262 2.718 20 5 BFBDRO Cc1cc(SCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596154590 348453353 /nfs/dbraw/zinc/45/33/53/348453353.db2.gz CIPODCDTTRZXFP-UHFFFAOYSA-N 1 0 246.357 2.618 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CC=CC1 ZINC000598992385 349073113 /nfs/dbraw/zinc/07/31/13/349073113.db2.gz LINVHRWDDJXDNY-UHFFFAOYSA-N 1 0 232.283 2.651 20 5 BFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774237 362965571 /nfs/dbraw/zinc/96/55/71/362965571.db2.gz DGWMUDAXWQIYJM-UHFFFAOYSA-N 1 0 238.262 2.718 20 5 BFBDRO Cc1c(C[N@H+](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000052128483 350957210 /nfs/dbraw/zinc/95/72/10/350957210.db2.gz HPTINQKSXVBXRD-UHFFFAOYSA-N 1 0 234.299 2.745 20 5 BFBDRO CC(C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000344296342 351023247 /nfs/dbraw/zinc/02/32/47/351023247.db2.gz LRZQHDUKTUODAN-UHFFFAOYSA-N 1 0 236.315 2.916 20 5 BFBDRO Cc1ccc(C[NH2+][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035012449 351381139 /nfs/dbraw/zinc/38/11/39/351381139.db2.gz ZFGGDCSEJALFIS-SNVBAGLBSA-N 1 0 234.299 2.791 20 5 BFBDRO CC1(C)C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263832377 188020294 /nfs/dbraw/zinc/02/02/94/188020294.db2.gz VQAYGYHCBZWDEY-VUDGCMKMSA-N 1 0 246.310 2.996 20 5 BFBDRO CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000063756012 356424598 /nfs/dbraw/zinc/42/45/98/356424598.db2.gz LVEHAGXQTZVHND-UHFFFAOYSA-N 1 0 222.288 2.745 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCCCC2)cc1 ZINC000001666801 357076193 /nfs/dbraw/zinc/07/61/93/357076193.db2.gz NYPUAPKNWBOVQV-UHFFFAOYSA-N 1 0 234.299 2.623 20 5 BFBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000610133348 357221621 /nfs/dbraw/zinc/22/16/21/357221621.db2.gz ICQBCLVFFTUYKZ-NWDGAFQWSA-N 1 0 248.326 2.868 20 5 BFBDRO CC1(C)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582615683 357353076 /nfs/dbraw/zinc/35/30/76/357353076.db2.gz AZJFCKQTVQOBJB-AAEUAGOBSA-N 1 0 246.310 2.970 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC2)c(Cl)c1 ZINC000049963061 358707421 /nfs/dbraw/zinc/70/74/21/358707421.db2.gz ILIJLDNOCLNEBE-UHFFFAOYSA-N 1 0 240.690 2.748 20 5 BFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000050015562 358710694 /nfs/dbraw/zinc/71/06/94/358710694.db2.gz BPRRBKVFXINLPI-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000075610029 359339990 /nfs/dbraw/zinc/33/99/90/359339990.db2.gz VEFAAKAMOLCSDD-UHFFFAOYSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@H]([NH2+]C1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000121974481 359623862 /nfs/dbraw/zinc/62/38/62/359623862.db2.gz KYCNDCBFRJHELV-JTQLQIEISA-N 1 0 232.283 2.964 20 5 BFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCF ZINC000437243404 201346929 /nfs/dbraw/zinc/34/69/29/201346929.db2.gz BZYNQNHHLNLFGD-JXMROGBWSA-N 1 0 238.262 2.557 20 5 BFBDRO C[C@H]1C[C@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853497 365386053 /nfs/dbraw/zinc/38/60/53/365386053.db2.gz NMCFIBROVCFNDS-JQWIXIFHSA-N 1 0 246.310 2.609 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000060575145 368546802 /nfs/dbraw/zinc/54/68/02/368546802.db2.gz DGHMMEPRPFDWCE-SNVBAGLBSA-N 1 0 222.288 2.825 20 5 BFBDRO C/C=C\C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794788 370262311 /nfs/dbraw/zinc/26/23/11/370262311.db2.gz PXFFDCKIIYZHNA-UMBAGQNISA-N 1 0 220.272 2.822 20 5 BFBDRO C/C=C\C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794790 370262392 /nfs/dbraw/zinc/26/23/92/370262392.db2.gz PXFFDCKIIYZHNA-XOULXFPDSA-N 1 0 220.272 2.822 20 5 BFBDRO Cc1c[nH+]ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000070489532 371037444 /nfs/dbraw/zinc/03/74/44/371037444.db2.gz ZGUMKMJSXZRASB-UHFFFAOYSA-N 1 0 243.266 2.910 20 5 BFBDRO CC1(C)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000284472701 371531600 /nfs/dbraw/zinc/53/16/00/371531600.db2.gz UMEJMXJPAMYNMQ-ZDUSSCGKSA-N 1 0 248.326 2.916 20 5 BFBDRO CC1(C)C[C@@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602719614 371832810 /nfs/dbraw/zinc/83/28/10/371832810.db2.gz ZUNZRWWQEDLPTA-CQSZACIVSA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCC1 ZINC000264531487 182947550 /nfs/dbraw/zinc/94/75/50/182947550.db2.gz OJGMNAUXKCKIBA-GQCTYLIASA-N 1 0 232.283 2.750 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCC1 ZINC000337348517 182947571 /nfs/dbraw/zinc/94/75/71/182947571.db2.gz OJGMNAUXKCKIBA-XQRVVYSFSA-N 1 0 232.283 2.750 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccco1 ZINC000035121606 182949083 /nfs/dbraw/zinc/94/90/83/182949083.db2.gz PTRIOKGERABQLW-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368042 169266296 /nfs/dbraw/zinc/26/62/96/169266296.db2.gz WIMNSIXNQGTIMQ-UHFFFAOYSA-N 1 0 228.679 2.748 20 5 BFBDRO CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443283 169266312 /nfs/dbraw/zinc/26/63/12/169266312.db2.gz UUAMUVFKWCSVTR-UHFFFAOYSA-N 1 0 228.679 2.748 20 5 BFBDRO CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589012 169282449 /nfs/dbraw/zinc/28/24/49/169282449.db2.gz IWRYQQZPTSCSCZ-CYBMUJFWSA-N 1 0 234.299 2.972 20 5 BFBDRO CC[NH+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000156916708 383862311 /nfs/dbraw/zinc/86/23/11/383862311.db2.gz PHKOBNWXNVZJCN-UHFFFAOYSA-N 1 0 222.288 2.745 20 5 BFBDRO C[C@@H]([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000285734310 384206313 /nfs/dbraw/zinc/20/63/13/384206313.db2.gz UPWGXGGUJWPQIS-SNVBAGLBSA-N 1 0 240.278 2.995 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000449421475 384316302 /nfs/dbraw/zinc/31/63/02/384316302.db2.gz AKZKFAHKPWQVTH-CYBMUJFWSA-N 1 0 232.283 2.579 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC=CCC2)cs1 ZINC000080122453 384452969 /nfs/dbraw/zinc/45/29/69/384452969.db2.gz NPNCHCSEAXHPEL-JTQLQIEISA-N 1 0 238.312 2.855 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000363385442 384471525 /nfs/dbraw/zinc/47/15/25/384471525.db2.gz ZBDLCXGYOILBSX-ZDUSSCGKSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H](F)C2)cs1 ZINC000309489094 384532645 /nfs/dbraw/zinc/53/26/45/384532645.db2.gz HTAYSZABSTZUCI-BDAKNGLRSA-N 1 0 244.291 2.637 20 5 BFBDRO C[C@@H]([NH2+]CCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000310317969 384726373 /nfs/dbraw/zinc/72/63/73/384726373.db2.gz XVWRGARCYPITJP-SNVBAGLBSA-N 1 0 240.278 2.995 20 5 BFBDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340462822 385228116 /nfs/dbraw/zinc/22/81/16/385228116.db2.gz PYKQWXXXOOFUJX-NXEZZACHSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340465095 385233320 /nfs/dbraw/zinc/23/33/20/385233320.db2.gz UXCWAECKXDSODN-ZJUUUORDSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340465091 385233630 /nfs/dbraw/zinc/23/36/30/385233630.db2.gz UXCWAECKXDSODN-NXEZZACHSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@@H](F)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340466488 385276380 /nfs/dbraw/zinc/27/63/80/385276380.db2.gz ZKBUMCJKHDBCJQ-ZJUUUORDSA-N 1 0 240.278 2.994 20 5 BFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086119696 385695262 /nfs/dbraw/zinc/69/52/62/385695262.db2.gz PMDIUTBJWPBOFE-AWEZNQCLSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@H]1CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292777009 385723554 /nfs/dbraw/zinc/72/35/54/385723554.db2.gz KYNLMUCKLIEDFI-LBPRGKRZSA-N 1 0 234.299 2.888 20 5 BFBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000294664349 386990901 /nfs/dbraw/zinc/99/09/01/386990901.db2.gz AIOKDBWXCROUMK-UHFFFAOYSA-N 1 0 234.299 2.935 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000414098855 387018042 /nfs/dbraw/zinc/01/80/42/387018042.db2.gz JGJBPUMFSQPAIZ-NQBHXWOUSA-N 1 0 248.326 2.771 20 5 BFBDRO Cc1ccc(C[NH2+]CCC2CC2)cc1[N+](=O)[O-] ZINC000088454425 387190281 /nfs/dbraw/zinc/19/02/81/387190281.db2.gz JLJCFYMBTQJTEH-UHFFFAOYSA-N 1 0 234.299 2.793 20 5 BFBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000192969899 388127445 /nfs/dbraw/zinc/12/74/45/388127445.db2.gz DMJLLNRIIBDUMW-UHFFFAOYSA-N 1 0 222.288 2.825 20 5 BFBDRO CC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000179393877 256513421 /nfs/dbraw/zinc/51/34/21/256513421.db2.gz NGUOFGMQVDZFRM-SECBINFHSA-N 1 0 238.287 2.664 20 5 BFBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000352542928 388361822 /nfs/dbraw/zinc/36/18/22/388361822.db2.gz ABYWDPNKJKLAGC-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC1)C1CC1 ZINC000132636825 388364829 /nfs/dbraw/zinc/36/48/29/388364829.db2.gz DKOQNTREYANCJH-ZDUSSCGKSA-N 1 0 246.310 2.668 20 5 BFBDRO C[C@H]([NH2+]C/C=C/Cl)c1ccccc1[N+](=O)[O-] ZINC000271755999 388401910 /nfs/dbraw/zinc/40/19/10/388401910.db2.gz NYTDRGFGXTWRJT-IYNCYZAOSA-N 1 0 240.690 2.998 20 5 BFBDRO Cc1c(C[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000174419512 388440480 /nfs/dbraw/zinc/44/04/80/388440480.db2.gz QMBRMWWDKFNDRN-SNVBAGLBSA-N 1 0 234.299 2.888 20 5 BFBDRO CC[C@H]([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000271836838 388407619 /nfs/dbraw/zinc/40/76/19/388407619.db2.gz YKMXGYMEWBLMBH-NSHDSACASA-N 1 0 226.251 2.605 20 5 BFBDRO CC[C@@H]([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000271836835 388407963 /nfs/dbraw/zinc/40/79/63/388407963.db2.gz YKMXGYMEWBLMBH-LLVKDONJSA-N 1 0 226.251 2.605 20 5 BFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000489501724 388741826 /nfs/dbraw/zinc/74/18/26/388741826.db2.gz VIVLOWMJSVUFPT-CYBMUJFWSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC1 ZINC000449171807 388746285 /nfs/dbraw/zinc/74/62/85/388746285.db2.gz ASKXCVNQMHBPRD-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]1C ZINC000449130044 388746685 /nfs/dbraw/zinc/74/66/85/388746685.db2.gz FPJNOIXKHSBQJF-HOSYDEDBSA-N 1 0 234.299 2.524 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC1 ZINC000449071507 388747321 /nfs/dbraw/zinc/74/73/21/388747321.db2.gz HJJIEMFMKKUFKK-SNVBAGLBSA-N 1 0 234.299 2.525 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(F)(F)C2)cs1 ZINC000277659949 388748212 /nfs/dbraw/zinc/74/82/12/388748212.db2.gz NVRDDUYTCVFQJH-UHFFFAOYSA-N 1 0 248.254 2.544 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1C ZINC000449317102 388748410 /nfs/dbraw/zinc/74/84/10/388748410.db2.gz AWTISQNDNDXSPC-NQBHXWOUSA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080460662 388710233 /nfs/dbraw/zinc/71/02/33/388710233.db2.gz UVERNKIIMNUJHU-CMPLNLGQSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426456815 388710974 /nfs/dbraw/zinc/71/09/74/388710974.db2.gz XACOUCSRSLRATQ-OCCSQVGLSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426462231 388711403 /nfs/dbraw/zinc/71/14/03/388711403.db2.gz QKJVGZBADLQMMI-TZMCWYRMSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426462230 388711475 /nfs/dbraw/zinc/71/14/75/388711475.db2.gz QKJVGZBADLQMMI-OCCSQVGLSA-N 1 0 246.310 2.969 20 5 BFBDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284943963 388832961 /nfs/dbraw/zinc/83/29/61/388832961.db2.gz DYCYJRHYESHBRR-IUCAKERBSA-N 1 0 249.314 2.626 20 5 BFBDRO CC[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285414451 388835091 /nfs/dbraw/zinc/83/50/91/388835091.db2.gz VEGJHYYJVADIHK-LLVKDONJSA-N 1 0 236.315 2.868 20 5 BFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC1 ZINC000344858555 135807134 /nfs/dbraw/zinc/80/71/34/135807134.db2.gz HCGDMPLBPMIRRF-YRNVUSSQSA-N 1 0 246.310 2.998 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348085675 136034771 /nfs/dbraw/zinc/03/47/71/136034771.db2.gz XUBUGASJSABCBC-UONOGXRCSA-N 1 0 246.310 2.873 20 5 BFBDRO CC[C@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000348371157 136073256 /nfs/dbraw/zinc/07/32/56/136073256.db2.gz FFWLFGINEUMBMF-JSGCOSHPSA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525906 167132042 /nfs/dbraw/zinc/13/20/42/167132042.db2.gz QQPJJOXGVNMMNK-VIFPVBQESA-N 1 0 208.261 2.654 20 5 BFBDRO C[C@H]([NH2+]C/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC000180451548 487609519 /nfs/dbraw/zinc/60/95/19/487609519.db2.gz NXVNGTZOBDASQI-SWTNXBIASA-N 1 0 240.690 2.998 20 5 BFBDRO CC(C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085545 167138661 /nfs/dbraw/zinc/13/86/61/167138661.db2.gz IZIJIOPQAWXJHZ-SECBINFHSA-N 1 0 208.261 2.654 20 5 BFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172949669 168013590 /nfs/dbraw/zinc/01/35/90/168013590.db2.gz HCZWHFICSFENCL-BETUJISGSA-N 1 0 246.310 2.683 20 5 BFBDRO CC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994249 171342642 /nfs/dbraw/zinc/34/26/42/171342642.db2.gz AZXLTDCKULABTF-JTQLQIEISA-N 1 0 222.288 2.791 20 5 BFBDRO CC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648610 171342885 /nfs/dbraw/zinc/34/28/85/171342885.db2.gz YFDWRHWZRPYPBM-VIFPVBQESA-N 1 0 222.288 2.791 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C1 ZINC000266555431 176026242 /nfs/dbraw/zinc/02/62/42/176026242.db2.gz VRRZVOQMWNXRKG-MNOVXSKESA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352733516 176167325 /nfs/dbraw/zinc/16/73/25/176167325.db2.gz RYCXRXRATGYMNT-TXNVCOODSA-N 1 0 246.310 2.950 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177909707 176175690 /nfs/dbraw/zinc/17/56/90/176175690.db2.gz XDURKVFYQSCCHB-GHMZBOCLSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000336684004 176422289 /nfs/dbraw/zinc/42/22/89/176422289.db2.gz FMHANOJMWLGGIB-BREBYQMCSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076114650 177110702 /nfs/dbraw/zinc/11/07/02/177110702.db2.gz IKFHNRIGDJJPKQ-JTQLQIEISA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000071207449 177125943 /nfs/dbraw/zinc/12/59/43/177125943.db2.gz QXZZFLQJVXRONL-FZMZJTMJSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123328121 177186838 /nfs/dbraw/zinc/18/68/38/177186838.db2.gz DKLPPWVMCWWYRK-PHIMTYICSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000128541651 177205368 /nfs/dbraw/zinc/20/53/68/177205368.db2.gz XITYWGMSHKKJLL-WPRPVWTQSA-N 1 0 240.328 2.935 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000397632118 323084340 /nfs/dbraw/zinc/08/43/40/323084340.db2.gz NGDVWIXRFJYDTE-CLLJXQQHSA-N 1 0 246.310 2.791 20 5 BFBDRO Cc1c(C[NH+]2[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000548096440 325428448 /nfs/dbraw/zinc/42/84/48/325428448.db2.gz XXVQOZFSFNHEDV-NXEZZACHSA-N 1 0 234.299 2.886 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC12CC2 ZINC000564469283 325793775 /nfs/dbraw/zinc/79/37/75/325793775.db2.gz BNTBYCLFYJPIQN-AAEUAGOBSA-N 1 0 244.294 2.724 20 5 BFBDRO CC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470172050 527793020 /nfs/dbraw/zinc/79/30/20/527793020.db2.gz RMNOQZGFUFDWAW-DHZHZOJOSA-N 1 0 234.299 2.950 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897953271 584064076 /nfs/dbraw/zinc/06/40/76/584064076.db2.gz OETAVFPGCRLRSX-MRVWCRGKSA-N 1 0 246.310 2.873 20 5 BFBDRO Cc1ccc(C[NH2+]C/C=C/Cl)cc1[N+](=O)[O-] ZINC000898435177 584135867 /nfs/dbraw/zinc/13/58/67/584135867.db2.gz GBPPTWZQLXUFNY-GORDUTHDSA-N 1 0 240.690 2.745 20 5 BFBDRO C[NH2+][C@H](C)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396834 584438459 /nfs/dbraw/zinc/43/84/59/584438459.db2.gz ZOSQANGBOIEEJA-MRVPVSSYSA-N 1 0 247.254 2.530 20 5 BFBDRO C[C@H]([NH2+]C/C=C\Cl)c1ccc([N+](=O)[O-])cc1 ZINC000901707674 584486335 /nfs/dbraw/zinc/48/63/35/584486335.db2.gz ZCWSWNRNLYOZMJ-HKQQGCEUSA-N 1 0 240.690 2.998 20 5 BFBDRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc([N+](=O)[O-])cc1 ZINC000901707675 584486388 /nfs/dbraw/zinc/48/63/88/584486388.db2.gz ZCWSWNRNLYOZMJ-RMGQIXRRSA-N 1 0 240.690 2.998 20 5 BFBDRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc([N+](=O)[O-])cc1 ZINC000901707676 584486440 /nfs/dbraw/zinc/48/64/40/584486440.db2.gz ZCWSWNRNLYOZMJ-WEMAUNJASA-N 1 0 240.690 2.998 20 5 BFBDRO CC/C=C/C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877740 587769122 /nfs/dbraw/zinc/76/91/22/587769122.db2.gz VFDQHWNUIZGTQC-ORAHPGNNSA-N 1 0 249.314 2.794 20 5 BFBDRO CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015894 589855883 /nfs/dbraw/zinc/85/58/83/589855883.db2.gz ADGZSEHKSICJGJ-QMMMGPOBSA-N 1 0 226.251 2.795 20 5 BFBDRO C[C@H]([NH2+]C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045756 589860014 /nfs/dbraw/zinc/86/00/14/589860014.db2.gz BBDHPKZNSBLPFO-QMMMGPOBSA-N 1 0 238.262 2.937 20 5 BFBDRO C[C@H]([NH2+]CCCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872049049 589860593 /nfs/dbraw/zinc/86/05/93/589860593.db2.gz OTJZTISTUBVPMD-QMMMGPOBSA-N 1 0 244.241 2.744 20 5 BFBDRO Cc1c(C[NH2+]C2CC=CC2)cccc1[N+](=O)[O-] ZINC000125458505 590165274 /nfs/dbraw/zinc/16/52/74/590165274.db2.gz CMRBYWQIDOSYEI-UHFFFAOYSA-N 1 0 232.283 2.711 20 5 BFBDRO Cc1c(C[N@@H+]2CC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877562629 590360292 /nfs/dbraw/zinc/36/02/92/590360292.db2.gz YCKGKUGOUFQXLJ-CQSZACIVSA-N 1 0 246.310 2.888 20 5 BFBDRO CCC[NH+](CCC)Cc1cccnc1[N+](=O)[O-] ZINC000885954204 592114467 /nfs/dbraw/zinc/11/44/67/592114467.db2.gz QLWVRKREBMBEAX-UHFFFAOYSA-N 1 0 237.303 2.612 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028831 592135346 /nfs/dbraw/zinc/13/53/46/592135346.db2.gz YHYIWUUAXNIYBM-GHMZBOCLSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])C1(C)CC1 ZINC000886036641 592137993 /nfs/dbraw/zinc/13/79/93/592137993.db2.gz BGTCBMKXQBXWFV-SNVBAGLBSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886112355 592156458 /nfs/dbraw/zinc/15/64/58/592156458.db2.gz VVBYGUDOJXDGRY-ZJUUUORDSA-N 1 0 237.303 2.514 20 5 BFBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886112352 592156561 /nfs/dbraw/zinc/15/65/61/592156561.db2.gz VVBYGUDOJXDGRY-NXEZZACHSA-N 1 0 237.303 2.514 20 5 BFBDRO CC[N@H+](CCC1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886134331 592161146 /nfs/dbraw/zinc/16/11/46/592161146.db2.gz PFVGHAUUOXCVKW-UHFFFAOYSA-N 1 0 249.314 2.612 20 5 BFBDRO CC1(C)CC[C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905074594 637605542 /nfs/dbraw/zinc/60/55/42/637605542.db2.gz ZTYQBJSXMQLUTC-CYBMUJFWSA-N 1 0 248.326 2.665 20 5 BFBDRO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c2ccccc12 ZINC000905287194 637740279 /nfs/dbraw/zinc/74/02/79/637740279.db2.gz ZDOGHDUUNUZJMF-UHFFFAOYSA-N 1 0 244.294 2.515 20 5 BFBDRO CCCC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000906529015 638192708 /nfs/dbraw/zinc/19/27/08/638192708.db2.gz BDFUBNBBPXFGDH-UHFFFAOYSA-N 1 0 222.288 2.527 20 5 BFBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930602007 639817133 /nfs/dbraw/zinc/81/71/33/639817133.db2.gz YLGJLAZMJMKSLT-MBNYWOFBSA-N 1 0 248.326 2.530 20 5 BFBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000930602006 639817464 /nfs/dbraw/zinc/81/74/64/639817464.db2.gz YLGJLAZMJMKSLT-DYEKYZERSA-N 1 0 248.326 2.530 20 5 BFBDRO CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000063034537 641120827 /nfs/dbraw/zinc/12/08/27/641120827.db2.gz DSKVLMCZNGNJTK-SECBINFHSA-N 1 0 240.278 2.665 20 5 BFBDRO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187638013 641716672 /nfs/dbraw/zinc/71/66/72/641716672.db2.gz ZIIYFQHNUOBOEY-UHFFFAOYSA-N 1 0 228.679 2.746 20 5 BFBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000929833211 641724206 /nfs/dbraw/zinc/72/42/06/641724206.db2.gz GEHJMVWYWAEICI-AWEZNQCLSA-N 1 0 248.326 2.717 20 5 BFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922509908 644007881 /nfs/dbraw/zinc/00/78/81/644007881.db2.gz DNQUBPRYXVGWFV-WBMYTEFPSA-N 1 0 246.310 2.729 20 5 BFBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929632195 646214082 /nfs/dbraw/zinc/21/40/82/646214082.db2.gz WFYSVDWDXUMCHY-ZDUSSCGKSA-N 1 0 236.315 2.592 20 5 BFBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000930192178 646484347 /nfs/dbraw/zinc/48/43/47/646484347.db2.gz HAHUMBVFFUBNNK-NSHDSACASA-N 1 0 242.706 2.657 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000700565328 711995927 /nfs/dbraw/zinc/99/59/27/711995927.db2.gz NSABTAJJKXXNMG-GFCCVEGCSA-N 1 0 232.283 2.711 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711775797 712328769 /nfs/dbraw/zinc/32/87/69/712328769.db2.gz ABNFNECJRKMOKI-LLVKDONJSA-N 1 0 232.283 2.651 20 5 BFBDRO C=C/C=C/CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000713662687 712468866 /nfs/dbraw/zinc/46/88/66/712468866.db2.gz SSJUODHVDGOANA-ONEGZZNKSA-N 1 0 246.310 2.859 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1F ZINC001225717273 962741381 /nfs/dbraw/zinc/74/13/81/962741381.db2.gz LPYBSLOIUOIYMR-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@H]1C[C@H](OCC[N+](C)(C)C)C[C@@H](C)C1 ZINC001224772004 964935491 /nfs/dbraw/zinc/93/54/91/964935491.db2.gz VOORBECIPCFCEX-ITGUQSILSA-N 1 0 214.373 2.534 20 5 BFBDRO CCC[N@H+]([C@H](C)CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008671 969332898 /nfs/dbraw/zinc/33/28/98/969332898.db2.gz TUYSTLZHCGLTRM-FRRDWIJNSA-N 1 0 242.363 2.942 20 5 BFBDRO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037551 969357740 /nfs/dbraw/zinc/35/77/40/969357740.db2.gz SJKLXFLIPBSSHU-YNEHKIRRSA-N 1 0 240.347 2.696 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OC[C@@H](C)c1ccccc1 ZINC001206011363 969627324 /nfs/dbraw/zinc/62/73/24/969627324.db2.gz OFDSEPFNMDZZNL-ZIAGYGMSSA-N 1 0 236.379 2.901 20 5 BFBDRO CCC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223497 975072586 /nfs/dbraw/zinc/07/25/86/975072586.db2.gz ANNPSEMLLMEWIM-LLVKDONJSA-N 1 0 236.315 2.868 20 5 BFBDRO Cc1c(F)ccc(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234927629 978932989 /nfs/dbraw/zinc/93/29/89/978932989.db2.gz KXNAUCFBKIQOJM-VIFPVBQESA-N 1 0 244.305 2.747 20 5 BFBDRO CC(C)[C@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224620466 973802586 /nfs/dbraw/zinc/80/25/86/973802586.db2.gz YUNYSRBQQHGKNU-JTQLQIEISA-N 1 0 242.305 2.686 20 5 BFBDRO CC[C@@H]1CCCC[C@H]1OCC[N+](C)(C)C ZINC001224771480 973939051 /nfs/dbraw/zinc/93/90/51/973939051.db2.gz NFCBFUYICNDDFI-CHWSQXEVSA-N 1 0 214.373 2.678 20 5 BFBDRO C[C@@H]1CC[C@H](C)[C@H](OCC[N+](C)(C)C)C1 ZINC001224775815 973944610 /nfs/dbraw/zinc/94/46/10/973944610.db2.gz PRFVAWQWYRCPEX-FRRDWIJNSA-N 1 0 214.373 2.534 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1 ZINC001225252789 974311699 /nfs/dbraw/zinc/31/16/99/974311699.db2.gz JNSWVXLPGSPCJL-SNVBAGLBSA-N 1 0 228.743 2.814 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1F ZINC001225717274 962741718 /nfs/dbraw/zinc/74/17/18/962741718.db2.gz LPYBSLOIUOIYMR-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO Cc1ccnc(Cl)c1O[C@@H](C)C[N+](C)(C)C ZINC001228989993 963939239 /nfs/dbraw/zinc/93/92/39/963939239.db2.gz SQPHLWQLEMIWBJ-JTQLQIEISA-N 1 0 243.758 2.517 20 5 BFBDRO C[C@@H]1CC[C@H](C)[C@H](OCCC[N+](C)(C)C)C1 ZINC001224621960 964811217 /nfs/dbraw/zinc/81/12/17/964811217.db2.gz DHWGXAYOKGKEGH-HZSPNIEDSA-N 1 0 228.400 2.924 20 5 BFBDRO CC[C@H](C)C[C@H](CC)OCC[N+](C)(C)C ZINC001224772760 964935080 /nfs/dbraw/zinc/93/50/80/964935080.db2.gz CENINFRQAUDVKM-STQMWFEESA-N 1 0 216.389 2.924 20 5 BFBDRO Cc1cccc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001204673564 967127501 /nfs/dbraw/zinc/12/75/01/967127501.db2.gz PFKJZBKZZBZCRN-ZDUSSCGKSA-N 1 0 222.352 2.606 20 5 BFBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976759 969294627 /nfs/dbraw/zinc/29/46/27/969294627.db2.gz GGHARJARYHQIRG-RVMXOQNASA-N 1 0 242.363 2.846 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168985639 969302372 /nfs/dbraw/zinc/30/23/72/969302372.db2.gz UJQZMZHMAINMAU-ZDEQEGDKSA-N 1 0 240.347 2.600 20 5 BFBDRO Cc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959964 969308922 /nfs/dbraw/zinc/30/89/22/969308922.db2.gz YIQUVHBUHZUGCP-KBPBESRZSA-N 1 0 248.326 2.530 20 5 BFBDRO CCCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962396 969311925 /nfs/dbraw/zinc/31/19/25/969311925.db2.gz MHKRIRIUIILJNS-VXGBXAGGSA-N 1 0 228.336 2.602 20 5 BFBDRO CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168962392 969312240 /nfs/dbraw/zinc/31/22/40/969312240.db2.gz MFYNHCNKTKGHDZ-VXGBXAGGSA-N 1 0 240.347 2.602 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001168966844 969317850 /nfs/dbraw/zinc/31/78/50/969317850.db2.gz LPTGHWXOMQRRTE-CHWSQXEVSA-N 1 0 240.347 2.602 20 5 BFBDRO CCC[NH+](CCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006390 969329132 /nfs/dbraw/zinc/32/91/32/969329132.db2.gz HMNOSTXDEYNHTG-RYUDHWBXSA-N 1 0 228.336 2.554 20 5 BFBDRO CCC[N@H+]([C@H](C)CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008670 969334591 /nfs/dbraw/zinc/33/45/91/969334591.db2.gz TUYSTLZHCGLTRM-AGIUHOORSA-N 1 0 242.363 2.942 20 5 BFBDRO CCC(CC)[N@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039057 969356272 /nfs/dbraw/zinc/35/62/72/969356272.db2.gz MVOADQSAAJKUSL-YPMHNXCESA-N 1 0 242.363 2.942 20 5 BFBDRO CC(C)[N@H+](CC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026400 969364629 /nfs/dbraw/zinc/36/46/29/969364629.db2.gz LRUSAKSDODPAFK-OLZOCXBDSA-N 1 0 240.347 2.552 20 5 BFBDRO CC[C@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047889 969366613 /nfs/dbraw/zinc/36/66/13/969366613.db2.gz SJKLXFLIPBSSHU-AGIUHOORSA-N 1 0 240.347 2.696 20 5 BFBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC001169540371 969737874 /nfs/dbraw/zinc/73/78/74/969737874.db2.gz QAQXUFVEMBIASR-GFCCVEGCSA-N 1 0 240.347 2.555 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)O[C@@H](C)c1ccccc1 ZINC001223446990 973076056 /nfs/dbraw/zinc/07/60/56/973076056.db2.gz VFXMAZFKENFPEY-STQMWFEESA-N 1 0 222.352 2.859 20 5 BFBDRO C[C@@H]1CC[C@H](OCCC[N+](C)(C)C)C[C@H]1C ZINC001224623316 973804394 /nfs/dbraw/zinc/80/43/94/973804394.db2.gz MCMDROUHFDDBLJ-MCIONIFRSA-N 1 0 228.400 2.924 20 5 BFBDRO C[C@H]1C[C@H](OCCC[N+](C)(C)C)C[C@@H](C)C1 ZINC001224621968 973805046 /nfs/dbraw/zinc/80/50/46/973805046.db2.gz DJNCUYOPZNBLTI-WDNDVIMCSA-N 1 0 228.400 2.924 20 5 BFBDRO C[N+](C)(C)CCCOC1CCCCCC1 ZINC001224621761 973805812 /nfs/dbraw/zinc/80/58/12/973805812.db2.gz CXDGGSXYHUBVBZ-UHFFFAOYSA-N 1 0 214.373 2.822 20 5 BFBDRO CC[C@H](C)[C@H](C)OCCC[N+](C)(C)C ZINC001224622083 973805667 /nfs/dbraw/zinc/80/56/67/973805667.db2.gz FTIZGDHLSOHVOM-RYUDHWBXSA-N 1 0 202.362 2.534 20 5 BFBDRO C[N+](C)(C)CCOC1CCCCCCC1 ZINC001224776208 973942975 /nfs/dbraw/zinc/94/29/75/973942975.db2.gz SWKSPCQLNZRCQX-UHFFFAOYSA-N 1 0 214.373 2.822 20 5 BFBDRO Cc1cccc2c1CC[C@H]2OCC[N+](C)(C)C ZINC001224771701 973936237 /nfs/dbraw/zinc/93/62/37/973936237.db2.gz QTEILNCAETUJCH-OAHLLOKOSA-N 1 0 234.363 2.705 20 5 BFBDRO Cc1ccc2c(c1)CC[C@@H]2OCC[N+](C)(C)C ZINC001224771110 973936543 /nfs/dbraw/zinc/93/65/43/973936543.db2.gz GFHZKAXMQSWNAC-HNNXBMFYSA-N 1 0 234.363 2.705 20 5 BFBDRO CC[C@H](OCC[N+](C)(C)C)C(C)(C)C ZINC001224776507 973943851 /nfs/dbraw/zinc/94/38/51/973943851.db2.gz WPVUYZPZTOXCFT-NSHDSACASA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Cl)c1 ZINC001225231766 974280255 /nfs/dbraw/zinc/28/02/55/974280255.db2.gz MXBJEMPGLBUVCP-JTQLQIEISA-N 1 0 228.743 2.814 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2ccccc2n1C ZINC001226239316 974835399 /nfs/dbraw/zinc/83/53/99/974835399.db2.gz LINAMSNCOSZLTM-GFCCVEGCSA-N 1 0 247.362 2.652 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CC1 ZINC001173223972 975073084 /nfs/dbraw/zinc/07/30/84/975073084.db2.gz COCQQQJOOMUUOP-LLVKDONJSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001173223927 975073757 /nfs/dbraw/zinc/07/37/57/975073757.db2.gz BRXGYUVWPSUGQK-NSHDSACASA-N 1 0 234.299 2.622 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC001173230649 975076654 /nfs/dbraw/zinc/07/66/54/975076654.db2.gz ZJTGOSVXNNUWLE-JTQLQIEISA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC1 ZINC001173211176 975077010 /nfs/dbraw/zinc/07/70/10/975077010.db2.gz QOHFSSOPFFUMPP-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO Cc1c[nH]c2ccc(O[C@@H](C)C[N+](C)(C)C)cc12 ZINC001228012824 975850946 /nfs/dbraw/zinc/85/09/46/975850946.db2.gz GFLZJHKTQYNRRE-LBPRGKRZSA-N 1 0 247.362 2.950 20 5 BFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Cl)n1 ZINC001229428501 976866227 /nfs/dbraw/zinc/86/62/27/976866227.db2.gz GPYAEWLSAWNZBA-JTQLQIEISA-N 1 0 243.758 2.517 20 5 BFBDRO C=Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001230448199 977215305 /nfs/dbraw/zinc/21/53/05/977215305.db2.gz KNQVFZYXDLNHIH-GFCCVEGCSA-N 1 0 220.336 2.803 20 5 BFBDRO Cc1c(F)ccc(O[C@H](C)C[N+](C)(C)C)c1C ZINC001233867045 978717390 /nfs/dbraw/zinc/71/73/90/978717390.db2.gz AJPRBJKJHQJCBK-SNVBAGLBSA-N 1 0 240.342 2.916 20 5 BFBDRO CCCC1(CCC)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001197513702 982570730 /nfs/dbraw/zinc/57/07/30/982570730.db2.gz BFLJGODTSPECKM-UHFFFAOYSA-N 1 0 228.336 2.698 20 5 BFBDRO CC(C)CCCO[C@H](C)C[N+](C)(C)C ZINC001205969668 984087369 /nfs/dbraw/zinc/08/73/69/984087369.db2.gz DCPZCHULNSEUSQ-GFCCVEGCSA-N 1 0 202.362 2.534 20 5 BFBDRO CC(C)CCCO[C@@H](C)C[N+](C)(C)C ZINC001205969673 984088547 /nfs/dbraw/zinc/08/85/47/984088547.db2.gz DCPZCHULNSEUSQ-LBPRGKRZSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC001560588380 991508206 /nfs/dbraw/zinc/50/82/06/991508206.db2.gz VIMQRLXQUXIVTB-JTQLQIEISA-N 1 0 245.282 2.774 20 5 BFBDRO C[C@H]([NH2+]C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001319975257 992053185 /nfs/dbraw/zinc/05/31/85/992053185.db2.gz YPDLECYNZJLFIU-VIFPVBQESA-N 1 0 220.272 2.798 20 5 BFBDRO CCCCC[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC001307617497 995418858 /nfs/dbraw/zinc/41/88/58/995418858.db2.gz ROMMYERHCMHOCP-NSHDSACASA-N 1 0 230.352 2.848 20 5 BFBDRO Cc1occc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000067217993 370644591 /nfs/dbraw/zinc/64/45/91/370644591.db2.gz KFOCQGYNLFNGQY-UHFFFAOYSA-N 1 0 246.266 2.786 20 5 BFBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000162717289 178173743 /nfs/dbraw/zinc/17/37/43/178173743.db2.gz HGXBYUQAWXQCHT-UHFFFAOYSA-N 1 0 243.266 2.910 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000353110749 178271591 /nfs/dbraw/zinc/27/15/91/178271591.db2.gz LXPLSBOZEAFZQQ-TVQRCGJNSA-N 1 0 234.299 2.791 20 5 BFBDRO CC1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076013692 344020204 /nfs/dbraw/zinc/02/02/04/344020204.db2.gz PXCALYFRATZUNC-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO CCC[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000047697940 343439699 /nfs/dbraw/zinc/43/96/99/343439699.db2.gz LJJVIGYXTQJJRF-UHFFFAOYSA-N 1 0 222.288 2.827 20 5 BFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000284327853 343926697 /nfs/dbraw/zinc/92/66/97/343926697.db2.gz MDJHCPFATKWVAO-LBPRGKRZSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610762755 344151942 /nfs/dbraw/zinc/15/19/42/344151942.db2.gz SDWKZDXEMCFWKH-UHFFFAOYSA-N 1 0 249.270 2.576 20 5 BFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000119715318 344468750 /nfs/dbraw/zinc/46/87/50/344468750.db2.gz USWIYFWCNVBPQY-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]1C ZINC000449080468 201804380 /nfs/dbraw/zinc/80/43/80/201804380.db2.gz WLMAKINSDKVVNC-DMDPSCGWSA-N 1 0 248.326 2.771 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000397708342 323088658 /nfs/dbraw/zinc/08/86/58/323088658.db2.gz NXYXMBXDHZVZPX-ILWJIGKKSA-N 1 0 238.312 2.544 20 5 BFBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092471267 345623373 /nfs/dbraw/zinc/62/33/73/345623373.db2.gz RYCXRXRATGYMNT-FVOPLDGLSA-N 1 0 246.310 2.950 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378881017 345694888 /nfs/dbraw/zinc/69/48/88/345694888.db2.gz GPNPJPZVHDGGEE-WXHSDQCUSA-N 1 0 246.310 2.873 20 5 BFBDRO CC(C)=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000191629262 187314393 /nfs/dbraw/zinc/31/43/93/187314393.db2.gz PWQCCVAMLSALTD-UHFFFAOYSA-N 1 0 234.299 2.959 20 5 BFBDRO Cc1ccc(C[NH2+]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601137420 346280075 /nfs/dbraw/zinc/28/00/75/346280075.db2.gz XMCRDJZAJQHOSJ-UHFFFAOYSA-N 1 0 240.278 2.741 20 5 BFBDRO Cc1ccc(C[NH+]2CC(C3CC3)C2)cc1[N+](=O)[O-] ZINC000589736777 346734727 /nfs/dbraw/zinc/73/47/27/346734727.db2.gz MGZKOZMTQLVXQM-UHFFFAOYSA-N 1 0 246.310 2.745 20 5 BFBDRO CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492575 348062675 /nfs/dbraw/zinc/06/26/75/348062675.db2.gz RHAVYBKZWLNCQQ-JOYOIKCWSA-N 1 0 234.299 2.970 20 5 BFBDRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594996365 348168303 /nfs/dbraw/zinc/16/83/03/348168303.db2.gz MUYJBITUTDICHG-CYBMUJFWSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1c(C[N@@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595916349 348400568 /nfs/dbraw/zinc/40/05/68/348400568.db2.gz QISDOWINNIOAAL-UHFFFAOYSA-N 1 0 246.310 2.888 20 5 BFBDRO C[C@@H]1C[C@H]1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040973 349081364 /nfs/dbraw/zinc/08/13/64/349081364.db2.gz OHKYJXJZNVADBY-PRHODGIISA-N 1 0 243.266 2.963 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH+](C2CC2)C2CC2)cc1 ZINC000599599064 349231742 /nfs/dbraw/zinc/23/17/42/349231742.db2.gz HQKLQZQREQCLQB-UHFFFAOYSA-N 1 0 246.310 2.764 20 5 BFBDRO CC(C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020306203 349352055 /nfs/dbraw/zinc/35/20/55/349352055.db2.gz WUXPRQAMSJIJLI-JTQLQIEISA-N 1 0 222.288 2.729 20 5 BFBDRO CC(C)[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000342864051 350816731 /nfs/dbraw/zinc/81/67/31/350816731.db2.gz ZOEGFPFHRXSXIR-ZDUSSCGKSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000344099978 351017885 /nfs/dbraw/zinc/01/78/85/351017885.db2.gz ZKENWDMVFJUDRU-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000211421867 352731892 /nfs/dbraw/zinc/73/18/92/352731892.db2.gz XQRQEPFYIKGKAJ-ALCCZGGFSA-N 1 0 220.272 2.606 20 5 BFBDRO CC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000344701961 353043395 /nfs/dbraw/zinc/04/33/95/353043395.db2.gz QTNKITIFKUDNLF-GQCTYLIASA-N 1 0 246.310 2.998 20 5 BFBDRO CC1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310239679 188000895 /nfs/dbraw/zinc/00/08/95/188000895.db2.gz CQYCKYPVKRGONW-LLVKDONJSA-N 1 0 238.262 2.622 20 5 BFBDRO CC(C)([NH2+]CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000291698459 188036495 /nfs/dbraw/zinc/03/64/95/188036495.db2.gz JXIYKLCLQLPEIS-UHFFFAOYSA-N 1 0 234.299 2.830 20 5 BFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000267068513 354354107 /nfs/dbraw/zinc/35/41/07/354354107.db2.gz VEWUNUKECBXKNH-UHFFFAOYSA-N 1 0 240.278 2.964 20 5 BFBDRO CC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000384767531 356744430 /nfs/dbraw/zinc/74/44/30/356744430.db2.gz BJEOXSAFSFYXOQ-ARJAWSKDSA-N 1 0 238.262 2.790 20 5 BFBDRO CC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000384767540 356744557 /nfs/dbraw/zinc/74/45/57/356744557.db2.gz BJEOXSAFSFYXOQ-ONEGZZNKSA-N 1 0 238.262 2.790 20 5 BFBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089108354 356935512 /nfs/dbraw/zinc/93/55/12/356935512.db2.gz XOUFWFPAZVQRRB-MNOVXSKESA-N 1 0 249.314 2.524 20 5 BFBDRO CC(C)C1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000619431181 358016865 /nfs/dbraw/zinc/01/68/65/358016865.db2.gz WLNTVPCYIVVHIV-UHFFFAOYSA-N 1 0 234.299 2.683 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCCC2)cc1 ZINC000035677749 358099170 /nfs/dbraw/zinc/09/91/70/358099170.db2.gz FNSADHFUSYLZDJ-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO Cc1c(C[NH2+][C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000035733564 358777056 /nfs/dbraw/zinc/77/70/56/358777056.db2.gz LINWIWYUDAAFPP-JTQLQIEISA-N 1 0 234.299 2.791 20 5 BFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCC2)c1 ZINC000037403684 363998250 /nfs/dbraw/zinc/99/82/50/363998250.db2.gz ADNIBVBCYVEKGT-UHFFFAOYSA-N 1 0 240.690 2.844 20 5 BFBDRO CCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574415450 365058915 /nfs/dbraw/zinc/05/89/15/365058915.db2.gz XUZCCJJLFVWZQI-GFCCVEGCSA-N 1 0 234.299 2.972 20 5 BFBDRO CCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574415452 365059407 /nfs/dbraw/zinc/05/94/07/365059407.db2.gz XUZCCJJLFVWZQI-LBPRGKRZSA-N 1 0 234.299 2.972 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCF ZINC000575136921 365218086 /nfs/dbraw/zinc/21/80/86/365218086.db2.gz NYOROWUFOSEUHN-LLVKDONJSA-N 1 0 238.262 2.531 20 5 BFBDRO C[C@@H]1C[C@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853498 365386120 /nfs/dbraw/zinc/38/61/20/365386120.db2.gz NMCFIBROVCFNDS-PWSUYJOCSA-N 1 0 246.310 2.609 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CC1 ZINC000077194485 370399584 /nfs/dbraw/zinc/39/95/84/370399584.db2.gz YOIORIOJEFUYAA-JTQLQIEISA-N 1 0 234.299 2.998 20 5 BFBDRO CC1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000077382797 370414330 /nfs/dbraw/zinc/41/43/30/370414330.db2.gz LKIZTTSTTWMFIS-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC1 ZINC000092731773 371118348 /nfs/dbraw/zinc/11/83/48/371118348.db2.gz VDVWPJRMKOOSJA-JXMROGBWSA-N 1 0 232.283 2.750 20 5 BFBDRO CC1(C)CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000284404761 371528441 /nfs/dbraw/zinc/52/84/41/371528441.db2.gz PXWXQVOBIWNXOO-ZDUSSCGKSA-N 1 0 248.326 2.916 20 5 BFBDRO CC1(C)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000284472700 371531374 /nfs/dbraw/zinc/53/13/74/371531374.db2.gz UMEJMXJPAMYNMQ-CYBMUJFWSA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000226671606 371721425 /nfs/dbraw/zinc/72/14/25/371721425.db2.gz ZTBJOXGEFSLUKT-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000602677468 371830245 /nfs/dbraw/zinc/83/02/45/371830245.db2.gz HYWGXSMDUKGEAJ-CQSZACIVSA-N 1 0 246.310 2.622 20 5 BFBDRO CC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506009 371815527 /nfs/dbraw/zinc/81/55/27/371815527.db2.gz ROWCOUISWLASDC-QMMMGPOBSA-N 1 0 249.270 2.624 20 5 BFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000162918299 371884310 /nfs/dbraw/zinc/88/43/10/371884310.db2.gz YJPSELXPRKBFGD-SNVBAGLBSA-N 1 0 234.299 2.731 20 5 BFBDRO CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000040493067 373325772 /nfs/dbraw/zinc/32/57/72/373325772.db2.gz OXDALPYTSZUBAL-UHFFFAOYSA-N 1 0 228.317 2.792 20 5 BFBDRO CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000041043285 374098965 /nfs/dbraw/zinc/09/89/65/374098965.db2.gz XKOCVPUDIBLTLL-UHFFFAOYSA-N 1 0 222.288 2.731 20 5 BFBDRO CCCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000001666799 168868526 /nfs/dbraw/zinc/86/85/26/168868526.db2.gz LHQGMHIIAQZMCI-UHFFFAOYSA-N 1 0 222.288 2.527 20 5 BFBDRO CCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284261930 168873638 /nfs/dbraw/zinc/87/36/38/168873638.db2.gz WHNXBZISIPXNLU-VIFPVBQESA-N 1 0 237.303 2.628 20 5 BFBDRO CCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000127526924 169065150 /nfs/dbraw/zinc/06/51/50/169065150.db2.gz RCDSMFMTGFOKTE-SOFGYWHQSA-N 1 0 234.299 2.950 20 5 BFBDRO CCC[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000299407773 169122822 /nfs/dbraw/zinc/12/28/22/169122822.db2.gz YLZUTVUTSNQULH-UHFFFAOYSA-N 1 0 236.315 2.869 20 5 BFBDRO CCC[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000299405367 169129318 /nfs/dbraw/zinc/12/93/18/169129318.db2.gz XJCNMRGGTIFAKD-UHFFFAOYSA-N 1 0 228.317 2.888 20 5 BFBDRO CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000212276152 169254020 /nfs/dbraw/zinc/25/40/20/169254020.db2.gz WLSORLCMSQRFTM-FLIBITNWSA-N 1 0 234.299 2.998 20 5 BFBDRO CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176707 169286996 /nfs/dbraw/zinc/28/69/96/169286996.db2.gz NQPUGXHEUBOYRM-SECBINFHSA-N 1 0 208.261 2.655 20 5 BFBDRO CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020084293 169287083 /nfs/dbraw/zinc/28/70/83/169287083.db2.gz ZOROKFHVQVUOPZ-SNVBAGLBSA-N 1 0 222.288 2.964 20 5 BFBDRO C[C@H](CF)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000288569121 383906382 /nfs/dbraw/zinc/90/63/82/383906382.db2.gz ZMMZSKJMIPOQAO-SSDOTTSWSA-N 1 0 246.669 2.696 20 5 BFBDRO O=[N+]([O-])c1cccc(CCNc2ccccn2)c1 ZINC000340080799 384093502 /nfs/dbraw/zinc/09/35/02/384093502.db2.gz KHEXRGOJPAVCHM-UHFFFAOYSA-N 1 0 243.266 2.644 20 5 BFBDRO Cc1ccc(C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000158713660 384136516 /nfs/dbraw/zinc/13/65/16/384136516.db2.gz GBUYKWYWTVDXOI-UHFFFAOYSA-N 1 0 222.288 2.743 20 5 BFBDRO CC(C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285281759 384438597 /nfs/dbraw/zinc/43/85/97/384438597.db2.gz JNJNKXIAVYCKCG-UHFFFAOYSA-N 1 0 236.315 2.725 20 5 BFBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135457270 384619412 /nfs/dbraw/zinc/61/94/12/384619412.db2.gz BXCDGXKQFMFASN-JBLDHEPKSA-N 1 0 234.299 2.901 20 5 BFBDRO C[C@H](F)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340466484 385274355 /nfs/dbraw/zinc/27/43/55/385274355.db2.gz ZKBUMCJKHDBCJQ-UWVGGRQHSA-N 1 0 240.278 2.994 20 5 BFBDRO CC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000295092680 385432038 /nfs/dbraw/zinc/43/20/38/385432038.db2.gz RVMABMKUZJAOQT-ONEGZZNKSA-N 1 0 220.272 2.651 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CC12CC2 ZINC000564469285 385545369 /nfs/dbraw/zinc/54/53/69/385545369.db2.gz BNTBYCLFYJPIQN-DGCLKSJQSA-N 1 0 244.294 2.724 20 5 BFBDRO CC[C@H]1CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292404132 385698894 /nfs/dbraw/zinc/69/88/94/385698894.db2.gz LLEFAOWRSHAJLX-NSHDSACASA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248366876 386568287 /nfs/dbraw/zinc/56/82/87/386568287.db2.gz SQMKDMDRSGMRQA-MNOVXSKESA-N 1 0 234.299 2.825 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186624191 387025149 /nfs/dbraw/zinc/02/51/49/387025149.db2.gz UVNIJKOZNFJWTR-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000321453247 387194789 /nfs/dbraw/zinc/19/47/89/387194789.db2.gz FTQJGHPDEBJWMK-JTNHKYCSSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000321767153 387300618 /nfs/dbraw/zinc/30/06/18/387300618.db2.gz DSVPNMLUFPWAQB-BREBYQMCSA-N 1 0 234.299 2.729 20 5 BFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000519711134 387510386 /nfs/dbraw/zinc/51/03/86/387510386.db2.gz IYQIDCBXXVUTGV-UHFFFAOYSA-N 1 0 228.317 2.887 20 5 BFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268920537 387585708 /nfs/dbraw/zinc/58/57/08/387585708.db2.gz JIIUJTQDLGMJQO-ZDUSSCGKSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000237515749 387578522 /nfs/dbraw/zinc/57/85/22/387578522.db2.gz IFGKDDZLTYKIDH-MALLOTDXSA-N 1 0 246.310 2.996 20 5 BFBDRO C[NH2+]CCS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000520225844 387692087 /nfs/dbraw/zinc/69/20/87/387692087.db2.gz RWYJIJPASAUVIR-SECBINFHSA-N 1 0 240.328 2.608 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000130588694 388347600 /nfs/dbraw/zinc/34/76/00/388347600.db2.gz BICXCBOHIHWISD-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774171 388378039 /nfs/dbraw/zinc/37/80/39/388378039.db2.gz YTSUZVBKLWSOBC-UHFFFAOYSA-N 1 0 240.278 2.966 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174414225 388440097 /nfs/dbraw/zinc/44/00/97/388440097.db2.gz IKHRUKKWFSSRHT-VIFPVBQESA-N 1 0 238.262 2.718 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C ZINC000449130042 388746854 /nfs/dbraw/zinc/74/68/54/388746854.db2.gz FPJNOIXKHSBQJF-CKYFFXLPSA-N 1 0 234.299 2.524 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C ZINC000449080471 388747403 /nfs/dbraw/zinc/74/74/03/388747403.db2.gz WLMAKINSDKVVNC-WZRBSPASSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H]1C ZINC000449317103 388747970 /nfs/dbraw/zinc/74/79/70/388747970.db2.gz AWTISQNDNDXSPC-WZRBSPASSA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H]1C ZINC000449317100 388748006 /nfs/dbraw/zinc/74/80/06/388748006.db2.gz AWTISQNDNDXSPC-DMDPSCGWSA-N 1 0 248.326 2.914 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1CC1 ZINC000449441074 388749697 /nfs/dbraw/zinc/74/96/97/388749697.db2.gz OWAURFCRRPQQAI-SNVBAGLBSA-N 1 0 234.299 2.791 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320790 388696469 /nfs/dbraw/zinc/69/64/69/388696469.db2.gz JRAMTSPEVCGHNA-BXKDBHETSA-N 1 0 232.283 2.798 20 5 BFBDRO Cc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000526989558 388697224 /nfs/dbraw/zinc/69/72/24/388697224.db2.gz PYUTVPGSEZTPGK-QWRGUYRKSA-N 1 0 234.299 2.886 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426456812 388710631 /nfs/dbraw/zinc/71/06/31/388710631.db2.gz XACOUCSRSLRATQ-GXTWGEPZSA-N 1 0 246.310 2.969 20 5 BFBDRO CC[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000068451180 388712184 /nfs/dbraw/zinc/71/21/84/388712184.db2.gz ZEFSBELQCHCLRF-LLVKDONJSA-N 1 0 236.315 2.868 20 5 BFBDRO CSCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000068994772 388719974 /nfs/dbraw/zinc/71/99/74/388719974.db2.gz UPDUUPMPPDEWMM-SECBINFHSA-N 1 0 240.328 2.608 20 5 BFBDRO C[C@H]([NH2+]CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000020525923 388774333 /nfs/dbraw/zinc/77/43/33/388774333.db2.gz VGZWGTVYVCNESP-VIFPVBQESA-N 1 0 220.272 2.655 20 5 BFBDRO CCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528123 388817775 /nfs/dbraw/zinc/81/77/75/388817775.db2.gz URABVFHLFZRGGH-UHFFFAOYSA-N 1 0 236.315 2.869 20 5 BFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000284943952 388833804 /nfs/dbraw/zinc/83/38/04/388833804.db2.gz DYCYJRHYESHBRR-BDAKNGLRSA-N 1 0 249.314 2.626 20 5 BFBDRO Cc1ccc(C[NH2+]CC2(C)CC2)cc1[N+](=O)[O-] ZINC000224170763 134341793 /nfs/dbraw/zinc/34/17/93/134341793.db2.gz CASGEJMWVYXQRQ-UHFFFAOYSA-N 1 0 234.299 2.793 20 5 BFBDRO CCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255588949 135130185 /nfs/dbraw/zinc/13/01/85/135130185.db2.gz RCDSMFMTGFOKTE-VURMDHGXSA-N 1 0 234.299 2.950 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000342279267 135255912 /nfs/dbraw/zinc/25/59/12/135255912.db2.gz DFKPYDOBDFKFKE-QWRGUYRKSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000342290410 135256389 /nfs/dbraw/zinc/25/63/89/135256389.db2.gz CXOQPURIMNTTFP-QWRGUYRKSA-N 1 0 238.262 2.575 20 5 BFBDRO CCC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000342615820 135295823 /nfs/dbraw/zinc/29/58/23/135295823.db2.gz NRAPDHXDVDYVCM-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000348117991 136032549 /nfs/dbraw/zinc/03/25/49/136032549.db2.gz DBDRQBCXYYFOSC-YPMHNXCESA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348086362 136034712 /nfs/dbraw/zinc/03/47/12/136034712.db2.gz YVSIFOOASPYODV-CHWSQXEVSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(C3CCC3)C2)c1 ZINC000348708867 136116894 /nfs/dbraw/zinc/11/68/94/136116894.db2.gz LVKVWFONPWBMBO-UHFFFAOYSA-N 1 0 246.310 2.827 20 5 BFBDRO CC(C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525914 167012258 /nfs/dbraw/zinc/01/22/58/167012258.db2.gz FXBFEBJRHOWIJM-JTQLQIEISA-N 1 0 222.288 2.901 20 5 BFBDRO CC(C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176761 167131719 /nfs/dbraw/zinc/13/17/19/167131719.db2.gz CZMDPRLTFVYWFD-VIFPVBQESA-N 1 0 208.261 2.654 20 5 BFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000172968016 168013767 /nfs/dbraw/zinc/01/37/67/168013767.db2.gz CBLDWOXVEXHHAC-TXEJJXNPSA-N 1 0 246.310 2.683 20 5 BFBDRO CC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280555512 168020133 /nfs/dbraw/zinc/02/01/33/168020133.db2.gz KLNMFNQIJXQIDH-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294914359 168148533 /nfs/dbraw/zinc/14/85/33/168148533.db2.gz WRVKZPAQJVLIBJ-INWMGODYSA-N 1 0 249.314 2.626 20 5 BFBDRO CCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472307 168299556 /nfs/dbraw/zinc/29/95/56/168299556.db2.gz VVBYXXRTASINHZ-UHFFFAOYSA-N 1 0 228.317 2.935 20 5 BFBDRO CC[C@@H]([NH2+]CCCF)c1cccc([N+](=O)[O-])c1 ZINC000126861026 170893998 /nfs/dbraw/zinc/89/39/98/170893998.db2.gz NDAHQJIKGYIVLZ-GFCCVEGCSA-N 1 0 240.278 2.995 20 5 BFBDRO CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000292875171 171024267 /nfs/dbraw/zinc/02/42/67/171024267.db2.gz WXANMZMBOPBFOD-GFCCVEGCSA-N 1 0 234.299 2.888 20 5 BFBDRO CC[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000336906019 171339740 /nfs/dbraw/zinc/33/97/40/171339740.db2.gz ZZLYTXSUHHLKHA-JYKYSHPRSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000070982085 175656655 /nfs/dbraw/zinc/65/66/55/175656655.db2.gz SQXGXEJAIPYFQA-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267613637 176110000 /nfs/dbraw/zinc/11/00/00/176110000.db2.gz BTOARDUNZIXPJM-SECBINFHSA-N 1 0 238.262 2.718 20 5 BFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000103347518 176132325 /nfs/dbraw/zinc/13/23/25/176132325.db2.gz DOXMNZISAIJATK-PWSUYJOCSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000071205912 176150967 /nfs/dbraw/zinc/15/09/67/176150967.db2.gz WNXNNWKDLUFWAK-ZWNOBZJWSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350832527 176174418 /nfs/dbraw/zinc/17/44/18/176174418.db2.gz NUHMKVCVBQLDJN-SECBINFHSA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@@H]1CC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353116232 176217359 /nfs/dbraw/zinc/21/73/59/176217359.db2.gz GCULTINNXFQZRU-YJLKIPLNSA-N 1 0 246.310 2.996 20 5 BFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000080460288 176233414 /nfs/dbraw/zinc/23/34/14/176233414.db2.gz XARYTWIRXXTDDW-PWSUYJOCSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc([N+](=O)[O-])cc1 ZINC000340465093 176741759 /nfs/dbraw/zinc/74/17/59/176741759.db2.gz UXCWAECKXDSODN-VHSXEESVSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000071205913 177143071 /nfs/dbraw/zinc/14/30/71/177143071.db2.gz WNXNNWKDLUFWAK-GXFFZTMASA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000569472796 322967502 /nfs/dbraw/zinc/96/75/02/322967502.db2.gz SQBNGDNXWIBOCI-DABQJJPHSA-N 1 0 246.310 2.791 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000791053010 583385506 /nfs/dbraw/zinc/38/55/06/583385506.db2.gz RSORVQWEIFRZGD-AWEZNQCLSA-N 1 0 248.326 2.533 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897953265 584064031 /nfs/dbraw/zinc/06/40/31/584064031.db2.gz ODYRISSVTHIUET-KGYLQXTDSA-N 1 0 246.310 2.873 20 5 BFBDRO CCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903055248 584721890 /nfs/dbraw/zinc/72/18/90/584721890.db2.gz ACKXZYPXNZXMSZ-SECBINFHSA-N 1 0 238.287 2.664 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625545 586689196 /nfs/dbraw/zinc/68/91/96/586689196.db2.gz GRGZKUUOHNNEJG-VDDIYKPWSA-N 1 0 249.314 2.626 20 5 BFBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000816649226 586751174 /nfs/dbraw/zinc/75/11/74/586751174.db2.gz VYOUZDUPTZQSMA-LWSHCTJVSA-N 1 0 246.310 2.948 20 5 BFBDRO C/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862530140 589218113 /nfs/dbraw/zinc/21/81/13/589218113.db2.gz JHEBHXULHRPSPN-IHWYPQMZSA-N 1 0 240.690 2.914 20 5 BFBDRO C[C@H]([NH2+]C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872015987 589856263 /nfs/dbraw/zinc/85/62/63/589856263.db2.gz AXGLNDSESRLAOI-ZETCQYMHSA-N 1 0 224.235 2.547 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC12CC2 ZINC000873132980 589985453 /nfs/dbraw/zinc/98/54/53/589985453.db2.gz AGLYKRDLVIPRPT-ZDUSSCGKSA-N 1 0 246.310 2.854 20 5 BFBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885965112 592116867 /nfs/dbraw/zinc/11/68/67/592116867.db2.gz JLZNSZKVRIHEDT-LBPRGKRZSA-N 1 0 249.314 2.610 20 5 BFBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCCC1 ZINC000885973194 592119367 /nfs/dbraw/zinc/11/93/67/592119367.db2.gz QBGVNLPSNWSYCQ-UHFFFAOYSA-N 1 0 249.314 2.612 20 5 BFBDRO C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886019582 592132604 /nfs/dbraw/zinc/13/26/04/592132604.db2.gz XFCPDTZIENLUCF-GHMZBOCLSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886269239 592192082 /nfs/dbraw/zinc/19/20/82/592192082.db2.gz PAOSIQJCNSMIIO-SECBINFHSA-N 1 0 237.303 2.514 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886333014 592211320 /nfs/dbraw/zinc/21/13/20/592211320.db2.gz BNHQRIDCXQDEPP-MXWKQRLJSA-N 1 0 232.283 2.608 20 5 BFBDRO [NH3+]C[C@@H](Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000236176476 632892012 /nfs/dbraw/zinc/89/20/12/632892012.db2.gz NFTWPQLWZHIBOR-GFCCVEGCSA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCCC1 ZINC000062726134 633816834 /nfs/dbraw/zinc/81/68/34/633816834.db2.gz VDXGCMHKJUQYDT-UHFFFAOYSA-N 1 0 234.299 2.670 20 5 BFBDRO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000791054204 635763570 /nfs/dbraw/zinc/76/35/70/635763570.db2.gz YMVNZWGVMIHLOG-UHFFFAOYSA-N 1 0 248.326 2.565 20 5 BFBDRO CC1(C)CC[C@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905074601 637607014 /nfs/dbraw/zinc/60/70/14/637607014.db2.gz ZTYQBJSXMQLUTC-ZDUSSCGKSA-N 1 0 248.326 2.665 20 5 BFBDRO C[C@@H](CCC1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905121127 637626672 /nfs/dbraw/zinc/62/66/72/637626672.db2.gz LCSHQEZWJVNADG-NSHDSACASA-N 1 0 228.336 2.602 20 5 BFBDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905211725 637697615 /nfs/dbraw/zinc/69/76/15/637697615.db2.gz FKIVAUBUJGRBQX-RISCZKNCSA-N 1 0 248.326 2.566 20 5 BFBDRO O=[N+]([O-])CC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000930218747 639641597 /nfs/dbraw/zinc/64/15/97/639641597.db2.gz SIKHXHYQCBTDMP-UHFFFAOYSA-N 1 0 240.347 2.602 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000930243998 639652632 /nfs/dbraw/zinc/65/26/32/639652632.db2.gz DKXLEZXFDMNVMI-AWEZNQCLSA-N 1 0 248.326 2.784 20 5 BFBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000930700001 639865817 /nfs/dbraw/zinc/86/58/17/639865817.db2.gz MDYKLDBAKVVUQN-UONOGXRCSA-N 1 0 248.326 2.531 20 5 BFBDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930923386 639991004 /nfs/dbraw/zinc/99/10/04/639991004.db2.gz PHMPEOQDDDYTBK-CYBMUJFWSA-N 1 0 248.326 2.717 20 5 BFBDRO CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000063034536 641119437 /nfs/dbraw/zinc/11/94/37/641119437.db2.gz DSKVLMCZNGNJTK-VIFPVBQESA-N 1 0 240.278 2.665 20 5 BFBDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594860 643532754 /nfs/dbraw/zinc/53/27/54/643532754.db2.gz AAHMAKXAJUQVJB-VIFPVBQESA-N 1 0 249.314 2.628 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000711679881 712316699 /nfs/dbraw/zinc/31/66/99/712316699.db2.gz OSGDIBGCLHNVJD-GFCCVEGCSA-N 1 0 246.310 2.959 20 5 BFBDRO C=C/C=C/CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000713495617 712462721 /nfs/dbraw/zinc/46/27/21/712462721.db2.gz KRPMEQZMTLWIQZ-ONEGZZNKSA-N 1 0 238.312 2.878 20 5 BFBDRO CCC[N@H+](CC1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009658 969335556 /nfs/dbraw/zinc/33/55/56/969335556.db2.gz WXHPVJKQQRCISU-QWHCGFSZSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169030273 969350786 /nfs/dbraw/zinc/35/07/86/969350786.db2.gz XTQBWTURNFPNJP-MROQNXINSA-N 1 0 240.347 2.552 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1Cl ZINC001228230277 976007501 /nfs/dbraw/zinc/00/75/01/976007501.db2.gz PLURIZVLTPKEGQ-VIFPVBQESA-O 1 0 244.742 2.519 20 5 BFBDRO C[C@H]1CC[C@@H](OCCC[N+](C)(C)C)CC1 ZINC001224622447 973805284 /nfs/dbraw/zinc/80/52/84/973805284.db2.gz GNJIYJDLQJVOCT-BETUJISGSA-N 1 0 214.373 2.678 20 5 BFBDRO CC(C)C[C@@H](C)OCCC[N+](C)(C)C ZINC001224621017 973803247 /nfs/dbraw/zinc/80/32/47/973803247.db2.gz HWYVQGCSODHXEH-GFCCVEGCSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@H]1CCCC[C@H]1OCCC[N+](C)(C)C ZINC001224623351 973805896 /nfs/dbraw/zinc/80/58/96/973805896.db2.gz MVJXXDMAYFBVOA-QWHCGFSZSA-N 1 0 214.373 2.678 20 5 BFBDRO C[C@@H](OCC[N+](C)(C)C)c1cccc(F)c1F ZINC001224775975 973943080 /nfs/dbraw/zinc/94/30/80/973943080.db2.gz QMWFCKBKGQGXFF-SNVBAGLBSA-N 1 0 244.305 2.749 20 5 BFBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC001167902784 961662504 /nfs/dbraw/zinc/66/25/04/961662504.db2.gz ABMVJSVSDHUCNA-LBPRGKRZSA-N 1 0 228.336 2.554 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)ccc(F)c1F ZINC001225872752 962885453 /nfs/dbraw/zinc/88/54/53/962885453.db2.gz MBAMBHDPZLETLS-QMMMGPOBSA-N 1 0 248.268 2.577 20 5 BFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(Cl)n1 ZINC001229428502 964120070 /nfs/dbraw/zinc/12/00/70/964120070.db2.gz GPYAEWLSAWNZBA-SNVBAGLBSA-N 1 0 243.758 2.517 20 5 BFBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959945 969308843 /nfs/dbraw/zinc/30/88/43/969308843.db2.gz YFELKKKOZVLYOS-LPWJVIDDSA-N 1 0 240.347 2.600 20 5 BFBDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959965 969310122 /nfs/dbraw/zinc/31/01/22/969310122.db2.gz YIQUVHBUHZUGCP-KGLIPLIRSA-N 1 0 248.326 2.530 20 5 BFBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968476 969322144 /nfs/dbraw/zinc/32/21/44/969322144.db2.gz ZJACCSWLSVBXEO-DYEKYZERSA-N 1 0 248.326 2.783 20 5 BFBDRO CCCC(CCC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975833 969326065 /nfs/dbraw/zinc/32/60/65/969326065.db2.gz XLRNHMHRKKNDHA-YPMHNXCESA-N 1 0 242.363 2.990 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996039 969326787 /nfs/dbraw/zinc/32/67/87/969326787.db2.gz UJQZMZHMAINMAU-NDBYEHHHSA-N 1 0 240.347 2.600 20 5 BFBDRO CC1(C)CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996512 969327126 /nfs/dbraw/zinc/32/71/26/969327126.db2.gz VKEXYQMLUCVKPK-WOPDTQHZSA-N 1 0 240.347 2.600 20 5 BFBDRO CCCC[C@@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005454 969329878 /nfs/dbraw/zinc/32/98/78/969329878.db2.gz UNWDHZXIOWBCLM-WOPDTQHZSA-N 1 0 228.336 2.600 20 5 BFBDRO CCC[N@H+]([C@H](C)CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008672 969334141 /nfs/dbraw/zinc/33/41/41/969334141.db2.gz TUYSTLZHCGLTRM-JHJVBQTASA-N 1 0 242.363 2.942 20 5 BFBDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986678 969342342 /nfs/dbraw/zinc/34/23/42/969342342.db2.gz YHIAXUCFNUYDQE-SRVKXCTJSA-N 1 0 240.347 2.600 20 5 BFBDRO CCCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991280 969343988 /nfs/dbraw/zinc/34/39/88/969343988.db2.gz GDIFHNAOHQQWJM-NEPJUHHUSA-N 1 0 240.347 2.744 20 5 BFBDRO CC1(C)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169027849 969349232 /nfs/dbraw/zinc/34/92/32/969349232.db2.gz RBRGDORMKOYNMJ-RYUDHWBXSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169030274 969351517 /nfs/dbraw/zinc/35/15/17/969351517.db2.gz XTQBWTURNFPNJP-YVECIDJPSA-N 1 0 240.347 2.552 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCCCCCC2)C1 ZINC001169037568 969355413 /nfs/dbraw/zinc/35/54/13/969355413.db2.gz SPFJFJJEQBFJDK-CHWSQXEVSA-N 1 0 240.347 2.698 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCCCCCC2)C1 ZINC001169037570 969357819 /nfs/dbraw/zinc/35/78/19/969357819.db2.gz SPFJFJJEQBFJDK-QWHCGFSZSA-N 1 0 240.347 2.698 20 5 BFBDRO CCCC[N@H+](CCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023254 969364581 /nfs/dbraw/zinc/36/45/81/969364581.db2.gz DVDJTRYHDQWJRK-CHWSQXEVSA-N 1 0 242.363 2.944 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OC[C@H](C)c1ccccc1 ZINC001206011362 969624396 /nfs/dbraw/zinc/62/43/96/969624396.db2.gz OFDSEPFNMDZZNL-UONOGXRCSA-N 1 0 236.379 2.901 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H](C)c1ccccc1 ZINC001206011361 969625794 /nfs/dbraw/zinc/62/57/94/969625794.db2.gz OFDSEPFNMDZZNL-KGLIPLIRSA-N 1 0 236.379 2.901 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C ZINC001254534648 969731255 /nfs/dbraw/zinc/73/12/55/969731255.db2.gz ZYXPIVPWEQIYFP-JTQLQIEISA-N 1 0 236.315 2.914 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C1 ZINC001254553551 969737300 /nfs/dbraw/zinc/73/73/00/969737300.db2.gz XGYLBXPCRWPKAU-NWDGAFQWSA-N 1 0 248.326 2.868 20 5 BFBDRO C[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254601194 969745639 /nfs/dbraw/zinc/74/56/39/969745639.db2.gz VPPVEZQBAKWCNQ-CYBMUJFWSA-N 1 0 248.326 2.792 20 5 BFBDRO Cc1[nH+]cc(Nc2ccc(C)c([N+](=O)[O-])c2)n1C ZINC001213666034 970375982 /nfs/dbraw/zinc/37/59/82/970375982.db2.gz YDPZUDZDZVGIBU-UHFFFAOYSA-N 1 0 246.270 2.689 20 5 BFBDRO Cc1cc(C)cc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001222774116 972693664 /nfs/dbraw/zinc/69/36/64/972693664.db2.gz CJXCOFVDNIXCJP-CQSZACIVSA-N 1 0 236.379 2.915 20 5 BFBDRO Cc1ccc(CO[C@H](C)C[N+](C)(C)C)s1 ZINC001223190881 972870491 /nfs/dbraw/zinc/87/04/91/972870491.db2.gz YPFDDJAMRCEDQR-SNVBAGLBSA-N 1 0 228.381 2.668 20 5 BFBDRO C[C@@H]1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224623477 973805061 /nfs/dbraw/zinc/80/50/61/973805061.db2.gz NSBDSUQEEYPUJO-CHWSQXEVSA-N 1 0 214.373 2.678 20 5 BFBDRO C[C@@H]1CC(OCCC[N+](C)(C)C)C[C@@H](C)C1 ZINC001224621967 973805506 /nfs/dbraw/zinc/80/55/06/973805506.db2.gz DJNCUYOPZNBLTI-STQMWFEESA-N 1 0 228.400 2.924 20 5 BFBDRO Cc1cccc2c1[C@H](OCC[N+](C)(C)C)CC2 ZINC001224771629 973936589 /nfs/dbraw/zinc/93/65/89/973936589.db2.gz PPCYIDSBXZCKPF-CQSZACIVSA-N 1 0 234.363 2.705 20 5 BFBDRO CCCC(CCC)OCC[N+](C)(C)C ZINC001224775425 973942691 /nfs/dbraw/zinc/94/26/91/973942691.db2.gz KEVZYHBBZIBTQK-UHFFFAOYSA-N 1 0 202.362 2.678 20 5 BFBDRO C[C@@H]1CCC[C@@H](OCC[N+](C)(C)C)[C@H]1C ZINC001224775116 973944476 /nfs/dbraw/zinc/94/44/76/973944476.db2.gz IYFONEXGWOHESY-FRRDWIJNSA-N 1 0 214.373 2.534 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OCC1=CCCCC1 ZINC001224999287 974130319 /nfs/dbraw/zinc/13/03/19/974130319.db2.gz WVSABBHSNXLFAB-GFCCVEGCSA-N 1 0 212.357 2.598 20 5 BFBDRO Cc1cc(C)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225246063 974302065 /nfs/dbraw/zinc/30/20/65/974302065.db2.gz YHFSIOYNWPAQQN-CYBMUJFWSA-N 1 0 222.352 2.777 20 5 BFBDRO CC(C)c1ncccc1O[C@@H](C)C[N+](C)(C)C ZINC001225521604 974536937 /nfs/dbraw/zinc/53/69/37/974536937.db2.gz JLJOZSKAGUMOLD-LBPRGKRZSA-N 1 0 237.367 2.679 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cccnc2c1 ZINC001225644793 974616544 /nfs/dbraw/zinc/61/65/44/974616544.db2.gz RJGAMNVOLQUPCU-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Cl)c1F ZINC001225722304 974661238 /nfs/dbraw/zinc/66/12/38/974661238.db2.gz JMAHZNWAEKRPLD-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO CSc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226237731 974833740 /nfs/dbraw/zinc/83/37/40/974833740.db2.gz IXTYVIOCERTEJV-NSHDSACASA-N 1 0 240.392 2.882 20 5 BFBDRO Cc1noc2cc(O[C@H](C)C[N+](C)(C)C)ccc12 ZINC001226535982 974947679 /nfs/dbraw/zinc/94/76/79/974947679.db2.gz RXLJEFDEONJOCG-SNVBAGLBSA-N 1 0 249.334 2.610 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1F ZINC001226698250 975030381 /nfs/dbraw/zinc/03/03/81/975030381.db2.gz RBFYTZLEWSTAFO-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc2ccccc21 ZINC001226746469 975056106 /nfs/dbraw/zinc/05/61/06/975056106.db2.gz QNEUDGJEUOXPDX-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CC1 ZINC001173217146 975070916 /nfs/dbraw/zinc/07/09/16/975070916.db2.gz PXLMFKNBECCVAC-SNVBAGLBSA-N 1 0 234.299 2.668 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C ZINC001173217508 975071606 /nfs/dbraw/zinc/07/16/06/975071606.db2.gz VVVSBDDUAOGJNN-SNVBAGLBSA-N 1 0 236.315 2.914 20 5 BFBDRO CC[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218628 975073443 /nfs/dbraw/zinc/07/34/43/975073443.db2.gz RBWIPLGVVDYPIR-QWRGUYRKSA-N 1 0 236.315 2.914 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC1(C)C ZINC001173220190 975075561 /nfs/dbraw/zinc/07/55/61/975075561.db2.gz VPKUSXDTWRBWLU-ZWNOBZJWSA-N 1 0 248.326 2.914 20 5 BFBDRO CCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211611 975077346 /nfs/dbraw/zinc/07/73/46/975077346.db2.gz UIJSAPFDEFRCIL-NSHDSACASA-N 1 0 236.315 2.916 20 5 BFBDRO CSc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001228154392 975959899 /nfs/dbraw/zinc/95/98/99/975959899.db2.gz GUKDZLQKQVPIDT-LLVKDONJSA-N 1 0 240.392 2.882 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cc[nH]c21 ZINC001228889947 976554077 /nfs/dbraw/zinc/55/40/77/976554077.db2.gz HCXVSBQJMKRZIM-NSHDSACASA-N 1 0 233.335 2.641 20 5 BFBDRO Cc1cc([S-])ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229637941 976924859 /nfs/dbraw/zinc/92/48/59/976924859.db2.gz PIYVWPRLKOCSHR-NSHDSACASA-O 1 0 240.392 2.757 20 5 BFBDRO Cc1cccc(C)c1O[C@H](C)C[N+](C)(C)C ZINC000002040731 978381940 /nfs/dbraw/zinc/38/19/40/978381940.db2.gz ICAMHOVYZXWWAT-CYBMUJFWSA-N 1 0 222.352 2.777 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]cc1)C2 ZINC001354019288 983116014 /nfs/dbraw/zinc/11/60/14/983116014.db2.gz NAVCECCYROEAIS-UHFFFAOYSA-N 1 0 241.250 2.510 20 5 BFBDRO C1=C(c2ncnc3cc4ccccc4cc32)C[NH2+]C1 ZINC001243109002 984562806 /nfs/dbraw/zinc/56/28/06/984562806.db2.gz IRIVXYLPQWWSAO-UHFFFAOYSA-N 1 0 247.301 2.770 20 5 BFBDRO C1=C(c2cnc3c(ccc4cccnc43)c2)C[NH2+]C1 ZINC001243110124 984565011 /nfs/dbraw/zinc/56/50/11/984565011.db2.gz ATEWLBSUAXDHQV-UHFFFAOYSA-N 1 0 247.301 2.770 20 5 BFBDRO CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001261890780 992565175 /nfs/dbraw/zinc/56/51/75/992565175.db2.gz ONEUCQNZWBJNQC-QMMMGPOBSA-N 1 0 240.328 2.987 20 5 BFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382479030 398173407 /nfs/dbraw/zinc/17/34/07/398173407.db2.gz DUPBTNGTOXXZGT-MNOVXSKESA-N 1 0 249.314 2.585 20 5 BFBDRO Cc1c(C[N@H+]2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293429241 398194337 /nfs/dbraw/zinc/19/43/37/398194337.db2.gz NPKDQTPOZYSJRG-GXSJLCMTSA-N 1 0 234.299 2.743 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@H]1C ZINC000353110747 178270780 /nfs/dbraw/zinc/27/07/80/178270780.db2.gz LXPLSBOZEAFZQQ-RNCFNFMXSA-N 1 0 234.299 2.791 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H]1C ZINC000353110751 178271354 /nfs/dbraw/zinc/27/13/54/178271354.db2.gz LXPLSBOZEAFZQQ-ZANVPECISA-N 1 0 234.299 2.791 20 5 BFBDRO Cc1ccc([C@@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000020083071 398303994 /nfs/dbraw/zinc/30/39/94/398303994.db2.gz ZVODSGMZCWPJNI-SECBINFHSA-N 1 0 220.272 2.716 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893196 398309524 /nfs/dbraw/zinc/30/95/24/398309524.db2.gz GEJJZLVNPJTYJU-MNOVXSKESA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000524893198 398309579 /nfs/dbraw/zinc/30/95/79/398309579.db2.gz GEJJZLVNPJTYJU-WDEREUQCSA-N 1 0 234.299 2.825 20 5 BFBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000379735056 343606135 /nfs/dbraw/zinc/60/61/35/343606135.db2.gz HQXDSSXZILYOAB-UHFFFAOYSA-N 1 0 238.262 2.766 20 5 BFBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457608 344408906 /nfs/dbraw/zinc/40/89/06/344408906.db2.gz KJIXIRPILBEPEG-GARJFASQSA-N 1 0 234.299 2.901 20 5 BFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000119625610 344444292 /nfs/dbraw/zinc/44/42/92/344444292.db2.gz UNSIRAZIZMRCFD-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000119631195 344444321 /nfs/dbraw/zinc/44/43/21/344444321.db2.gz ZISGZRSWMUORKH-QMMMGPOBSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=CCC1 ZINC000611517429 344747571 /nfs/dbraw/zinc/74/75/71/344747571.db2.gz AVRGDCXPFCHCQG-LLVKDONJSA-N 1 0 232.283 2.918 20 5 BFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC1 ZINC000212295407 192080719 /nfs/dbraw/zinc/08/07/19/192080719.db2.gz VDVWPJRMKOOSJA-YFHOEESVSA-N 1 0 232.283 2.750 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC1(C)C ZINC000449091150 201805830 /nfs/dbraw/zinc/80/58/30/201805830.db2.gz IJVOJTZBPGKFTC-GXFFZTMASA-N 1 0 248.326 2.914 20 5 BFBDRO CC(C)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605399 345543553 /nfs/dbraw/zinc/54/35/53/345543553.db2.gz BOKZIHYRBGJPSY-UHFFFAOYSA-N 1 0 248.326 2.999 20 5 BFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090909966 345572825 /nfs/dbraw/zinc/57/28/25/345572825.db2.gz URCNDTREVQZOAY-JTQLQIEISA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000090910142 345572855 /nfs/dbraw/zinc/57/28/55/345572855.db2.gz ZGCUYHYOHULHKW-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093503476 345674679 /nfs/dbraw/zinc/67/46/79/345674679.db2.gz SGMNVCYEJQWILP-TXEJJXNPSA-N 1 0 248.326 2.991 20 5 BFBDRO C[C@H]([NH2+]CCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000296848631 133670268 /nfs/dbraw/zinc/67/02/68/133670268.db2.gz XVWRGARCYPITJP-JTQLQIEISA-N 1 0 240.278 2.995 20 5 BFBDRO C[NH2+]CCS[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000592177116 347758978 /nfs/dbraw/zinc/75/89/78/347758978.db2.gz CJYXFKXIGHSIAJ-SECBINFHSA-N 1 0 240.328 2.608 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000594953438 348148616 /nfs/dbraw/zinc/14/86/16/348148616.db2.gz STCWUKWJLKZKGK-AAEUAGOBSA-N 1 0 232.283 2.627 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807568 348349069 /nfs/dbraw/zinc/34/90/69/348349069.db2.gz KNUQEHXJJGUJQM-RAIGVLPGSA-N 1 0 246.310 2.998 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000597224146 348694455 /nfs/dbraw/zinc/69/44/55/348694455.db2.gz YUHBNWDUQXAWRA-AAEUAGOBSA-N 1 0 246.310 2.745 20 5 BFBDRO C/C=C/C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080635 349096200 /nfs/dbraw/zinc/09/62/00/349096200.db2.gz ICKLAKYJKJQRAR-QAVQXKDTSA-N 1 0 232.283 2.748 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC1 ZINC000072578678 351281730 /nfs/dbraw/zinc/28/17/30/351281730.db2.gz FNYSFOLZUWSKCI-SNVBAGLBSA-N 1 0 234.299 2.998 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600193130 351421392 /nfs/dbraw/zinc/42/13/92/351421392.db2.gz VOIYFJSHUKNWNO-VFWWJLHSSA-N 1 0 244.294 2.560 20 5 BFBDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285283912 188034005 /nfs/dbraw/zinc/03/40/05/188034005.db2.gz RIWVFVWKHAGREJ-JTQLQIEISA-N 1 0 249.314 2.794 20 5 BFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000414103683 191432979 /nfs/dbraw/zinc/43/29/79/191432979.db2.gz NTNQIUABBYFHAQ-JTNHKYCSSA-N 1 0 248.326 2.771 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000582736972 357377447 /nfs/dbraw/zinc/37/74/47/357377447.db2.gz MTQATXOMZHNXOK-WDNDVIMCSA-N 1 0 246.310 2.791 20 5 BFBDRO CC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677679 358088019 /nfs/dbraw/zinc/08/80/19/358088019.db2.gz KFEVNTINCMPDGZ-UHFFFAOYSA-N 1 0 222.288 2.525 20 5 BFBDRO CCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677550 358088578 /nfs/dbraw/zinc/08/85/78/358088578.db2.gz ICQBTLIWJGCHCA-UHFFFAOYSA-N 1 0 236.315 2.917 20 5 BFBDRO Cc1c(C[N@@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000065961441 361083336 /nfs/dbraw/zinc/08/33/36/361083336.db2.gz BIRCXXDZARMFMA-UHFFFAOYSA-N 1 0 236.315 2.991 20 5 BFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000387921863 369399119 /nfs/dbraw/zinc/39/91/19/369399119.db2.gz QSHNUWYHWHUMIG-NEPJUHHUSA-N 1 0 234.299 2.731 20 5 BFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000388151839 369574393 /nfs/dbraw/zinc/57/43/93/369574393.db2.gz FEPGRECYZCUPIY-NEPJUHHUSA-N 1 0 234.299 2.731 20 5 BFBDRO Cc1ccc([C@@H](C)[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000020086272 370236321 /nfs/dbraw/zinc/23/63/21/370236321.db2.gz KMGNGFKDYYUZFR-SNVBAGLBSA-N 1 0 234.299 2.964 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CC1 ZINC000077194486 370399962 /nfs/dbraw/zinc/39/99/62/370399962.db2.gz YOIORIOJEFUYAA-SNVBAGLBSA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@@H]1C[C@@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415670 371631256 /nfs/dbraw/zinc/63/12/56/371631256.db2.gz OPFJKWKNLFZJDX-ZYHUDNBSSA-N 1 0 246.310 2.609 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+]2C3CCC2CC3)c1 ZINC000602150743 371791548 /nfs/dbraw/zinc/79/15/48/371791548.db2.gz OUJCLIKYGDDWHQ-UHFFFAOYSA-N 1 0 232.283 2.722 20 5 BFBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174250416 374156068 /nfs/dbraw/zinc/15/60/68/374156068.db2.gz AJDHQHKETPEGDQ-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CC1)C1CC1 ZINC000132637036 182949072 /nfs/dbraw/zinc/94/90/72/182949072.db2.gz DKOQNTREYANCJH-CYBMUJFWSA-N 1 0 246.310 2.668 20 5 BFBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000310401002 169129931 /nfs/dbraw/zinc/12/99/31/169129931.db2.gz GQOKDJOEXCIABG-UHFFFAOYSA-N 1 0 240.278 2.966 20 5 BFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171679812 169175415 /nfs/dbraw/zinc/17/54/15/169175415.db2.gz OJFPXKWNPJWQNB-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO CCC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020040563 169370705 /nfs/dbraw/zinc/37/07/05/169370705.db2.gz QHQFJDYHFLSSKV-SNVBAGLBSA-N 1 0 222.288 2.873 20 5 BFBDRO CC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000158292513 383842433 /nfs/dbraw/zinc/84/24/33/383842433.db2.gz BDWCAZAUBGRHPP-UHFFFAOYSA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@H](CF)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000288535615 383906726 /nfs/dbraw/zinc/90/67/26/383906726.db2.gz WFTGIJFTNOJLQL-DFVUYQKZSA-N 1 0 238.262 2.556 20 5 BFBDRO C[C@H]1C[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000573018276 384231283 /nfs/dbraw/zinc/23/12/83/384231283.db2.gz IAJJYKMJLNTHMD-AAEUAGOBSA-N 1 0 248.326 2.725 20 5 BFBDRO Cc1c(C[NH+]2C[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362434188 384214868 /nfs/dbraw/zinc/21/48/68/384214868.db2.gz LWWLIPJVGGRHLY-GHMZBOCLSA-N 1 0 248.326 2.991 20 5 BFBDRO C[C@H]([NH2+]CCCF)c1cccc([N+](=O)[O-])c1 ZINC000126953252 384227808 /nfs/dbraw/zinc/22/78/08/384227808.db2.gz FEJWDMMHLYKHII-VIFPVBQESA-N 1 0 226.251 2.605 20 5 BFBDRO C[C@@H](CC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000070102274 384297908 /nfs/dbraw/zinc/29/79/08/384297908.db2.gz AEUDIPPYXJYFSV-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO C[N@H+](CCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000135293451 384431599 /nfs/dbraw/zinc/43/15/99/384431599.db2.gz XPRWDKBBPDJEJJ-UHFFFAOYSA-N 1 0 240.328 2.888 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H](F)C2)cs1 ZINC000309489097 384533483 /nfs/dbraw/zinc/53/34/83/384533483.db2.gz HTAYSZABSTZUCI-DTWKUNHWSA-N 1 0 244.291 2.637 20 5 BFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000565217685 384620394 /nfs/dbraw/zinc/62/03/94/384620394.db2.gz IPZUHLFFDRRHLG-ZANVPECISA-N 1 0 246.310 2.970 20 5 BFBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000135294095 384681294 /nfs/dbraw/zinc/68/12/94/384681294.db2.gz XSNMRMRQRBJQMV-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO CC(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000013718125 384733243 /nfs/dbraw/zinc/73/32/43/384733243.db2.gz JWUDLHHHNOLCKO-UHFFFAOYSA-N 1 0 222.288 2.731 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000248347826 384786353 /nfs/dbraw/zinc/78/63/53/384786353.db2.gz NVOKELIKMCTFQL-BDAKNGLRSA-N 1 0 240.328 2.887 20 5 BFBDRO CC(C)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726247 385134239 /nfs/dbraw/zinc/13/42/39/385134239.db2.gz DZEOKPOWIINWFE-NSHDSACASA-N 1 0 236.315 2.771 20 5 BFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000321453250 385195958 /nfs/dbraw/zinc/19/59/58/385195958.db2.gz FTQJGHPDEBJWMK-SUNKGSAMSA-N 1 0 248.326 2.771 20 5 BFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111298265 385502331 /nfs/dbraw/zinc/50/23/31/385502331.db2.gz FHRCDZKRWRKESX-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957884 386760039 /nfs/dbraw/zinc/76/00/39/386760039.db2.gz YVTFAPQXMAMHDT-PELKAZGASA-N 1 0 249.314 2.626 20 5 BFBDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293794295 386879483 /nfs/dbraw/zinc/87/94/83/386879483.db2.gz QTDFQYSUYFEWTC-SECBINFHSA-N 1 0 249.314 2.770 20 5 BFBDRO CC[C@@H](F)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000440593004 387364751 /nfs/dbraw/zinc/36/47/51/387364751.db2.gz BGOVQQSDGKIATC-GXSJLCMTSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000130588475 388346802 /nfs/dbraw/zinc/34/68/02/388346802.db2.gz BICXCBOHIHWISD-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1C[C@@H](C)[NH+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000548752909 388368009 /nfs/dbraw/zinc/36/80/09/388368009.db2.gz FUUORWDRRNWXOP-GHMZBOCLSA-N 1 0 234.299 2.620 20 5 BFBDRO Cc1c([C@@H](C)[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000132715307 388368237 /nfs/dbraw/zinc/36/82/37/388368237.db2.gz PVMCAZRRXUPQFZ-SECBINFHSA-N 1 0 220.272 2.716 20 5 BFBDRO C[C@@H]([NH2+]C/C=C/Cl)c1ccccc1[N+](=O)[O-] ZINC000271755997 388402205 /nfs/dbraw/zinc/40/22/05/388402205.db2.gz NYTDRGFGXTWRJT-ILFKPUCNSA-N 1 0 240.690 2.998 20 5 BFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000040675957 388423997 /nfs/dbraw/zinc/42/39/97/388423997.db2.gz GQRGNJDLPDRCBZ-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909838 388531115 /nfs/dbraw/zinc/53/11/15/388531115.db2.gz OCULCJNFWGPKHZ-SNVBAGLBSA-N 1 0 222.288 2.525 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000418101416 388675228 /nfs/dbraw/zinc/67/52/28/388675228.db2.gz SLFFBLPVSWNJJX-GFCCVEGCSA-N 1 0 246.310 2.793 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000449427308 388748841 /nfs/dbraw/zinc/74/88/41/388748841.db2.gz RPTCSIPAADYLKI-ZDUSSCGKSA-N 1 0 232.283 2.579 20 5 BFBDRO CCC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020040566 388753193 /nfs/dbraw/zinc/75/31/93/388753193.db2.gz QHQFJDYHFLSSKV-JTQLQIEISA-N 1 0 222.288 2.873 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320794 388695787 /nfs/dbraw/zinc/69/57/87/388695787.db2.gz JRAMTSPEVCGHNA-JOYOIKCWSA-N 1 0 232.283 2.798 20 5 BFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489436611 388726298 /nfs/dbraw/zinc/72/62/98/388726298.db2.gz YDBDKWWRZVTOJP-LBPRGKRZSA-N 1 0 234.299 2.825 20 5 BFBDRO CCC[C@H]([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000280953157 388790103 /nfs/dbraw/zinc/79/01/03/388790103.db2.gz HANNWHLFLDPLOR-LBPRGKRZSA-N 1 0 240.278 2.995 20 5 BFBDRO CCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153127636 388941795 /nfs/dbraw/zinc/94/17/95/388941795.db2.gz QWDLMHCNMATPJF-UHFFFAOYSA-N 1 0 234.299 2.753 20 5 BFBDRO CC(C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153184952 388947520 /nfs/dbraw/zinc/94/75/20/388947520.db2.gz FILMESHZJPUTGK-UHFFFAOYSA-N 1 0 234.299 2.609 20 5 BFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177868108 134303581 /nfs/dbraw/zinc/30/35/81/134303581.db2.gz DZEWYGRYBVKGDG-VXGBXAGGSA-N 1 0 248.326 2.868 20 5 BFBDRO CC1(C)C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000226254470 134362015 /nfs/dbraw/zinc/36/20/15/134362015.db2.gz IBMMNERQXNBDLW-LLVKDONJSA-N 1 0 234.299 2.731 20 5 BFBDRO CC1(C)C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000226254478 134362273 /nfs/dbraw/zinc/36/22/73/134362273.db2.gz IBMMNERQXNBDLW-NSHDSACASA-N 1 0 234.299 2.731 20 5 BFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000255397330 135130078 /nfs/dbraw/zinc/13/00/78/135130078.db2.gz FGXZPIFLKMCLBJ-XQRVVYSFSA-N 1 0 246.310 2.950 20 5 BFBDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000348059848 136024065 /nfs/dbraw/zinc/02/40/65/136024065.db2.gz BQOXODRICBNQJP-JQWIXIFHSA-N 1 0 234.299 2.873 20 5 BFBDRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000348117987 136032494 /nfs/dbraw/zinc/03/24/94/136032494.db2.gz DBDRQBCXYYFOSC-DGCLKSJQSA-N 1 0 248.326 2.916 20 5 BFBDRO CC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295113629 397756083 /nfs/dbraw/zinc/75/60/83/397756083.db2.gz VKLWUODMFHACEK-ONEGZZNKSA-N 1 0 220.272 2.651 20 5 BFBDRO C[C@H](CC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000070101831 410440109 /nfs/dbraw/zinc/44/01/09/410440109.db2.gz PNIJZKSWYKUMML-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368055 167117686 /nfs/dbraw/zinc/11/76/86/167117686.db2.gz WJECOMRVDMQMCZ-UHFFFAOYSA-N 1 0 228.679 2.746 20 5 BFBDRO CC(C)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726246 167381782 /nfs/dbraw/zinc/38/17/82/167381782.db2.gz DZEOKPOWIINWFE-LLVKDONJSA-N 1 0 236.315 2.771 20 5 BFBDRO CC1=CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280965410 168100807 /nfs/dbraw/zinc/10/08/07/168100807.db2.gz ZMJMUAAYNIETCJ-UHFFFAOYSA-N 1 0 232.283 2.747 20 5 BFBDRO CC1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000338953643 168190447 /nfs/dbraw/zinc/19/04/47/168190447.db2.gz UBBNWYOPINOTKD-GQCTYLIASA-N 1 0 232.283 2.560 20 5 BFBDRO CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020084579 170158952 /nfs/dbraw/zinc/15/89/52/170158952.db2.gz SAKHIEBUPCMJOS-SECBINFHSA-N 1 0 208.261 2.574 20 5 BFBDRO CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721053 170161468 /nfs/dbraw/zinc/16/14/68/170161468.db2.gz KNKXMWCYWVRHCO-LLVKDONJSA-N 1 0 208.261 2.655 20 5 BFBDRO CC[C@@H](C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726604 170706922 /nfs/dbraw/zinc/70/69/22/170706922.db2.gz YYDXBYQODRTZJU-LLVKDONJSA-N 1 0 236.315 2.773 20 5 BFBDRO CC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668345 171285490 /nfs/dbraw/zinc/28/54/90/171285490.db2.gz ROYXFUQIFUAYLR-JTQLQIEISA-N 1 0 222.288 2.731 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000337211134 171307668 /nfs/dbraw/zinc/30/76/68/171307668.db2.gz DGHMMEPRPFDWCE-JTQLQIEISA-N 1 0 222.288 2.825 20 5 BFBDRO CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273371567 171343296 /nfs/dbraw/zinc/34/32/96/171343296.db2.gz AQVOUEVBQHQRQB-JTQLQIEISA-N 1 0 222.288 2.791 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076114646 176110145 /nfs/dbraw/zinc/11/01/45/176110145.db2.gz IKFHNRIGDJJPKQ-SNVBAGLBSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000080456956 176213243 /nfs/dbraw/zinc/21/32/43/176213243.db2.gz QWUFQAZKJUHRBC-ZYHUDNBSSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353116230 176237062 /nfs/dbraw/zinc/23/70/62/176237062.db2.gz GCULTINNXFQZRU-DMBZQDCGSA-N 1 0 246.310 2.996 20 5 BFBDRO C[C@H](CC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000070982089 176613953 /nfs/dbraw/zinc/61/39/53/176613953.db2.gz SQXGXEJAIPYFQA-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000103347524 177143041 /nfs/dbraw/zinc/14/30/41/177143041.db2.gz DOXMNZISAIJATK-CMPLNLGQSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248344160 177165855 /nfs/dbraw/zinc/16/58/55/177165855.db2.gz LFWSDDRKJXRVCB-QWRGUYRKSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000495089561 226276490 /nfs/dbraw/zinc/27/64/90/226276490.db2.gz YQTRLZGJVBQCGH-UHIISALHSA-N 1 0 248.326 2.771 20 5 BFBDRO CC1(C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000536680853 323200835 /nfs/dbraw/zinc/20/08/35/323200835.db2.gz CRCDKJQOCZOJQG-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CC1 ZINC000131130409 325121073 /nfs/dbraw/zinc/12/10/73/325121073.db2.gz HUCXFEMAKHDHNL-JTQLQIEISA-N 1 0 234.299 2.964 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000495089560 533949223 /nfs/dbraw/zinc/94/92/23/533949223.db2.gz YQTRLZGJVBQCGH-SUNKGSAMSA-N 1 0 248.326 2.771 20 5 BFBDRO CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000224182828 535155170 /nfs/dbraw/zinc/15/51/70/535155170.db2.gz LOEWJDFRUHFCGC-UHFFFAOYSA-N 1 0 226.301 2.546 20 5 BFBDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000348077353 536099909 /nfs/dbraw/zinc/09/99/09/536099909.db2.gz NSJLZRCHZXKOES-WCQYABFASA-N 1 0 234.299 2.873 20 5 BFBDRO [NH3+]CCSc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000900021354 584267477 /nfs/dbraw/zinc/26/74/77/584267477.db2.gz BEDHQAOGPZYZTH-UHFFFAOYSA-N 1 0 248.254 2.583 20 5 BFBDRO C[C@@H](c1cc2ccccc2o1)N(C)CC[N+](=O)[O-] ZINC000791052674 585972767 /nfs/dbraw/zinc/97/27/67/585972767.db2.gz AHHODJSIJZKEJM-JTQLQIEISA-N 1 0 248.282 2.702 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C=CCC1 ZINC000850506513 588553389 /nfs/dbraw/zinc/55/33/89/588553389.db2.gz FGWRVNHIIRXVKN-MFKMUULPSA-N 1 0 244.294 2.890 20 5 BFBDRO C[C@@H]([NH2+]CCCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872049048 589860775 /nfs/dbraw/zinc/86/07/75/589860775.db2.gz OTJZTISTUBVPMD-MRVPVSSYSA-N 1 0 244.241 2.744 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CC1 ZINC000873009982 589978980 /nfs/dbraw/zinc/97/89/80/589978980.db2.gz DAMPADSNWSZYQQ-UHFFFAOYSA-N 1 0 234.299 2.711 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC12CC2 ZINC000873132976 589985574 /nfs/dbraw/zinc/98/55/74/589985574.db2.gz AGLYKRDLVIPRPT-CYBMUJFWSA-N 1 0 246.310 2.854 20 5 BFBDRO Cc1c(C[NH2+]CC(C)(C)F)cccc1[N+](=O)[O-] ZINC000873145248 589986050 /nfs/dbraw/zinc/98/60/50/589986050.db2.gz BVXOIMBJMLMKEW-UHFFFAOYSA-N 1 0 240.278 2.741 20 5 BFBDRO CCCC[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000885933298 592110180 /nfs/dbraw/zinc/11/01/80/592110180.db2.gz PWIOYYFNMXMIJO-UHFFFAOYSA-N 1 0 237.303 2.612 20 5 BFBDRO C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885967070 592118377 /nfs/dbraw/zinc/11/83/77/592118377.db2.gz GWWJAGQOIIPVKP-LLVKDONJSA-N 1 0 249.314 2.612 20 5 BFBDRO CC[C@@]1(C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039046 592139394 /nfs/dbraw/zinc/13/93/94/592139394.db2.gz HANJVLKILBEVEE-ZDUSSCGKSA-N 1 0 249.314 2.612 20 5 BFBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886112353 592156527 /nfs/dbraw/zinc/15/65/27/592156527.db2.gz VVBYGUDOJXDGRY-UWVGGRQHSA-N 1 0 237.303 2.514 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346814 592213380 /nfs/dbraw/zinc/21/33/80/592213380.db2.gz RPNRJWPWFUDOCG-UTUOFQBUSA-N 1 0 246.310 2.916 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346812 592213660 /nfs/dbraw/zinc/21/36/60/592213660.db2.gz RPNRJWPWFUDOCG-SDDRHHMPSA-N 1 0 246.310 2.916 20 5 BFBDRO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187619153 631223968 /nfs/dbraw/zinc/22/39/68/631223968.db2.gz HHFFJUFUESDXOB-UHFFFAOYSA-N 1 0 228.679 2.748 20 5 BFBDRO Cc1cccc(NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000235930747 632853622 /nfs/dbraw/zinc/85/36/22/632853622.db2.gz QDYKEXXXEAGHCN-UHFFFAOYSA-N 1 0 249.314 2.585 20 5 BFBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932274517 635639547 /nfs/dbraw/zinc/63/95/47/635639547.db2.gz IENITMZVQVMVOR-TZMCWYRMSA-N 1 0 248.326 2.531 20 5 BFBDRO CCC1(CC)CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905227567 637688518 /nfs/dbraw/zinc/68/85/18/637688518.db2.gz BKMKWCGDKLRCRU-UHFFFAOYSA-N 1 0 228.336 2.602 20 5 BFBDRO C[C@@H](C1CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353050 639721611 /nfs/dbraw/zinc/72/16/11/639721611.db2.gz FBVJYRGVOXCIBK-NSHDSACASA-N 1 0 248.326 2.868 20 5 BFBDRO CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648672 639793253 /nfs/dbraw/zinc/79/32/53/639793253.db2.gz VGTWHXRWOVHRJP-UHFFFAOYSA-N 1 0 222.288 2.793 20 5 BFBDRO Cc1c(C[NH2+]C2(C)CCC2)cccc1[N+](=O)[O-] ZINC000168056787 640772981 /nfs/dbraw/zinc/77/29/81/640772981.db2.gz IBTHKXIGIXHQEK-UHFFFAOYSA-N 1 0 234.299 2.935 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170915579 640938563 /nfs/dbraw/zinc/93/85/63/640938563.db2.gz ZIINEKDLEBMWQJ-SECBINFHSA-N 1 0 240.278 2.964 20 5 BFBDRO CC[C@H](c1ccccc1)[N@H+](CC)CC[N+](=O)[O-] ZINC000929384476 646106101 /nfs/dbraw/zinc/10/61/01/646106101.db2.gz GEEXZXZKSRIMOC-CYBMUJFWSA-N 1 0 236.315 2.736 20 5 BFBDRO Cc1cccc(C2([NH2+]CC[N+](=O)[O-])CCCC2)c1 ZINC000929963366 646379176 /nfs/dbraw/zinc/37/91/76/646379176.db2.gz PDKVYRBAIWCIJA-UHFFFAOYSA-N 1 0 248.326 2.631 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C=CCC2)c1 ZINC000711775899 712327942 /nfs/dbraw/zinc/32/79/42/712327942.db2.gz BQOGBQJOEQRPGD-NSHDSACASA-N 1 0 232.283 2.651 20 5 BFBDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965320 969317573 /nfs/dbraw/zinc/31/75/73/969317573.db2.gz ZQEYAHMJFZCNMF-VOAKCMCISA-N 1 0 240.347 2.600 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001168966846 969319308 /nfs/dbraw/zinc/31/93/08/969319308.db2.gz LPTGHWXOMQRRTE-QWHCGFSZSA-N 1 0 240.347 2.602 20 5 BFBDRO CCC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013047 969338935 /nfs/dbraw/zinc/33/89/35/969338935.db2.gz SZGXMSIMTZOBMW-QWHCGFSZSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(F)c1Cl ZINC001226829902 975106603 /nfs/dbraw/zinc/10/66/03/975106603.db2.gz SXXXFYLJJBOFKF-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@H](OCC[N+](C)(C)C)c1cccs1 ZINC001224772219 973937115 /nfs/dbraw/zinc/93/71/15/973937115.db2.gz XEHKJIOVEDXYHM-JTQLQIEISA-N 1 0 214.354 2.532 20 5 BFBDRO C[C@@H]1CCC[C@H](C)[C@H]1OCC[N+](C)(C)C ZINC001224772719 973938421 /nfs/dbraw/zinc/93/84/21/973938421.db2.gz BWWARWFODBOSLJ-ITGUQSILSA-N 1 0 214.373 2.534 20 5 BFBDRO C[C@@H]1CCC[C@H](OCC[N+](C)(C)C)[C@H]1C ZINC001224775115 973943062 /nfs/dbraw/zinc/94/30/62/973943062.db2.gz IYFONEXGWOHESY-AGIUHOORSA-N 1 0 214.373 2.534 20 5 BFBDRO [NH2+]=CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167868753 961366951 /nfs/dbraw/zinc/36/69/51/961366951.db2.gz NZEAHWOCNPFCDW-UHFFFAOYSA-N 1 0 233.149 2.633 20 5 BFBDRO CC(C)CC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC001167902781 961668265 /nfs/dbraw/zinc/66/82/65/961668265.db2.gz ABMVJSVSDHUCNA-GFCCVEGCSA-N 1 0 228.336 2.554 20 5 BFBDRO Cc1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001204687381 963693341 /nfs/dbraw/zinc/69/33/41/963693341.db2.gz OLEDTDBTDIHZKT-ZDUSSCGKSA-N 1 0 222.352 2.606 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC001168184064 963939290 /nfs/dbraw/zinc/93/92/90/963939290.db2.gz KHPBESUKUHVZMD-ZDUSSCGKSA-N 1 0 240.347 2.698 20 5 BFBDRO CC(C)=CCC[C@H](C)OCC[N+](C)(C)C ZINC001224774990 964938710 /nfs/dbraw/zinc/93/87/10/964938710.db2.gz HOVRMPWQFQFTAT-ZDUSSCGKSA-N 1 0 214.373 2.844 20 5 BFBDRO CC1(C)[C@H](OCC[N+](C)(C)C)[C@]2(C)CC[C@H]1C2 ZINC001224776522 964940365 /nfs/dbraw/zinc/94/03/65/964940365.db2.gz XBOUIPXQUNAPMG-KCQAQPDRSA-N 1 0 240.411 2.924 20 5 BFBDRO CCc1cc(Nc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001206150499 968091883 /nfs/dbraw/zinc/09/18/83/968091883.db2.gz WZEOPMMTYHDUIV-UHFFFAOYSA-N 1 0 243.266 2.718 20 5 BFBDRO CC(C)C([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977274 969295238 /nfs/dbraw/zinc/29/52/38/969295238.db2.gz JDTCAYDBJQFHCY-RYUDHWBXSA-N 1 0 242.363 2.702 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168985636 969300337 /nfs/dbraw/zinc/30/03/37/969300337.db2.gz UJQZMZHMAINMAU-FDYHWXHSSA-N 1 0 240.347 2.600 20 5 BFBDRO CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168961693 969311548 /nfs/dbraw/zinc/31/15/48/969311548.db2.gz JQLYSGFDKZRNEH-NEPJUHHUSA-N 1 0 240.347 2.744 20 5 BFBDRO CCC[N@H+]([C@H](C)CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008673 969335617 /nfs/dbraw/zinc/33/56/17/969335617.db2.gz TUYSTLZHCGLTRM-UPJWGTAASA-N 1 0 242.363 2.942 20 5 BFBDRO CCC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013049 969339841 /nfs/dbraw/zinc/33/98/41/969339841.db2.gz SZGXMSIMTZOBMW-STQMWFEESA-N 1 0 240.347 2.554 20 5 BFBDRO CCCC[N@H+](CCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023255 969366825 /nfs/dbraw/zinc/36/68/25/969366825.db2.gz DVDJTRYHDQWJRK-OLZOCXBDSA-N 1 0 242.363 2.944 20 5 BFBDRO C[C@@H](CO[C@@H](C)C[N+](C)(C)C)c1ccccc1 ZINC001206011360 969628377 /nfs/dbraw/zinc/62/83/77/969628377.db2.gz OFDSEPFNMDZZNL-KBPBESRZSA-N 1 0 236.379 2.901 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1C ZINC001254552033 969738446 /nfs/dbraw/zinc/73/84/46/969738446.db2.gz IFRLWNJYDGZTLT-QWRGUYRKSA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC001169540372 969738683 /nfs/dbraw/zinc/73/86/83/969738683.db2.gz QAQXUFVEMBIASR-LBPRGKRZSA-N 1 0 240.347 2.555 20 5 BFBDRO CCC[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575391 969739860 /nfs/dbraw/zinc/73/98/60/969739860.db2.gz QIPAURLCCMLNIQ-ZWNOBZJWSA-N 1 0 248.326 2.840 20 5 BFBDRO CC(C)[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569879 969740370 /nfs/dbraw/zinc/74/03/70/969740370.db2.gz ZTFVIYLMGPWSSN-MFKMUULPSA-N 1 0 248.326 2.696 20 5 BFBDRO CC(C)[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569878 969742488 /nfs/dbraw/zinc/74/24/88/969742488.db2.gz ZTFVIYLMGPWSSN-GXFFZTMASA-N 1 0 248.326 2.696 20 5 BFBDRO CC[C@@H](C)[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594328 969744619 /nfs/dbraw/zinc/74/46/19/969744619.db2.gz PQOZWGSHVPOOEI-QMTHXVAHSA-N 1 0 248.326 2.792 20 5 BFBDRO Cc1[nH+]cn(C)c1Nc1cc([N+](=O)[O-])ccc1C ZINC001211287843 970216672 /nfs/dbraw/zinc/21/66/72/970216672.db2.gz XFWUBNMYWYAKSY-UHFFFAOYSA-N 1 0 246.270 2.689 20 5 BFBDRO Cc1cc(Nc2cc([N+](=O)[O-])ccc2C)cc[nH+]1 ZINC001211285367 970218037 /nfs/dbraw/zinc/21/80/37/970218037.db2.gz VUECJAVXFFTWBQ-UHFFFAOYSA-N 1 0 243.266 2.772 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)O[C@@H]1CCc2ccccc21 ZINC001223420431 973053594 /nfs/dbraw/zinc/05/35/94/973053594.db2.gz LQRDHWXSZBFVOJ-SWLSCSKDSA-N 1 0 234.363 2.785 20 5 BFBDRO CCc1ccccc1CO[C@@H](C)C[N+](C)(C)C ZINC001224218674 973491174 /nfs/dbraw/zinc/49/11/74/973491174.db2.gz SYPWUIKMOJIIRZ-ZDUSSCGKSA-N 1 0 236.379 2.860 20 5 BFBDRO C[C@H](OCC[N+](C)(C)C)c1cccnc1Cl ZINC001224770828 973935516 /nfs/dbraw/zinc/93/55/16/973935516.db2.gz CLUMSBLJLYAHKX-JTQLQIEISA-N 1 0 243.758 2.519 20 5 BFBDRO CCC(CC)[C@@H](CC)OCC[N+](C)(C)C ZINC001224776290 973940253 /nfs/dbraw/zinc/94/02/53/973940253.db2.gz UNVAKOFPOLRMEM-CYBMUJFWSA-N 1 0 216.389 2.924 20 5 BFBDRO CC[C@H](C)CC[C@@H](C)OCC[N+](C)(C)C ZINC001224775485 973940749 /nfs/dbraw/zinc/94/07/49/973940749.db2.gz LQEPLRRAIBGJOK-QWHCGFSZSA-N 1 0 216.389 2.924 20 5 BFBDRO CC/C=C(\C)[C@H](CC)OCC[N+](C)(C)C ZINC001224773560 973944472 /nfs/dbraw/zinc/94/44/72/973944472.db2.gz JZHLUTHQJMYBNS-SRXBQZRASA-N 1 0 214.373 2.844 20 5 BFBDRO Cc1c[nH]c2cccc(O[C@H](C)C[N+](C)(C)C)c12 ZINC001225391770 974461765 /nfs/dbraw/zinc/46/17/65/974461765.db2.gz AWMUMPMCXNVVLD-GFCCVEGCSA-N 1 0 247.362 2.950 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Cl)c1F ZINC001225722305 974662098 /nfs/dbraw/zinc/66/20/98/974662098.db2.gz JMAHZNWAEKRPLD-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cc1Cl ZINC001225886946 974717605 /nfs/dbraw/zinc/71/76/05/974717605.db2.gz OJZANNBTYUDLAQ-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO CC(C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899271 974961344 /nfs/dbraw/zinc/96/13/44/974961344.db2.gz VWUADOYPAVYQQC-ZDUSSCGKSA-N 1 0 248.326 2.840 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC1 ZINC001173216887 975070669 /nfs/dbraw/zinc/07/06/69/975070669.db2.gz NMEZKVGTSINTRT-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO CCC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223499 975073558 /nfs/dbraw/zinc/07/35/58/975073558.db2.gz ANNPSEMLLMEWIM-NSHDSACASA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC1(C)C ZINC001173220187 975074245 /nfs/dbraw/zinc/07/42/45/975074245.db2.gz VPKUSXDTWRBWLU-GWCFXTLKSA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC1 ZINC001173213562 975077383 /nfs/dbraw/zinc/07/73/83/975077383.db2.gz GHAZTAUOMNKKGW-JTQLQIEISA-N 1 0 234.299 2.668 20 5 BFBDRO CCc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228240440 976013912 /nfs/dbraw/zinc/01/39/12/976013912.db2.gz MBVUNKYOUIINPY-GFCCVEGCSA-N 1 0 222.352 2.723 20 5 BFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(F)c1 ZINC001228382440 976171335 /nfs/dbraw/zinc/17/13/35/976171335.db2.gz HLPPMKGMBMNSON-LLVKDONJSA-N 1 0 226.315 2.608 20 5 BFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)c1 ZINC001228382441 976173593 /nfs/dbraw/zinc/17/35/93/976173593.db2.gz HLPPMKGMBMNSON-NSHDSACASA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccoc2c1 ZINC001228725745 976458229 /nfs/dbraw/zinc/45/82/29/976458229.db2.gz BIBXAUYDSZBUCY-LLVKDONJSA-N 1 0 234.319 2.906 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccoc2c1 ZINC001228725747 976460068 /nfs/dbraw/zinc/46/00/68/976460068.db2.gz BIBXAUYDSZBUCY-NSHDSACASA-N 1 0 234.319 2.906 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cccc1Cl ZINC001229112936 976742424 /nfs/dbraw/zinc/74/24/24/976742424.db2.gz HRGDDKWFULHVCF-SECBINFHSA-O 1 0 244.742 2.519 20 5 BFBDRO Cc1cccc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001231029571 977434059 /nfs/dbraw/zinc/43/40/59/977434059.db2.gz CLZDKUFYIHEMCA-LLVKDONJSA-N 1 0 226.315 2.608 20 5 BFBDRO Cc1cccc2nc(O[C@H](C)C[N+](C)(C)C)oc21 ZINC001231160673 977513110 /nfs/dbraw/zinc/51/31/10/977513110.db2.gz ATMPQXXCTPEGQR-LLVKDONJSA-N 1 0 249.334 2.610 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H]1C ZINC001177268387 978321504 /nfs/dbraw/zinc/32/15/04/978321504.db2.gz XXGTUWFCQKKSJC-PWSUYJOCSA-N 1 0 248.326 2.957 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2occc2c1 ZINC001233676280 978669956 /nfs/dbraw/zinc/66/99/56/978669956.db2.gz DWKDXBZTXMTKPM-NSHDSACASA-N 1 0 234.319 2.906 20 5 BFBDRO CC1([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC001346507422 980853771 /nfs/dbraw/zinc/85/37/71/980853771.db2.gz VMRBUEBNCONTOO-LLVKDONJSA-N 1 0 232.283 2.724 20 5 BFBDRO C1=C(c2cc3cccnc3c3ncccc23)C[NH2+]C1 ZINC001243111950 984579491 /nfs/dbraw/zinc/57/94/91/984579491.db2.gz YEGRNQHXWBXKQS-UHFFFAOYSA-N 1 0 247.301 2.770 20 5 BFBDRO CC[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC001473403212 987425545 /nfs/dbraw/zinc/42/55/45/987425545.db2.gz SLSQXGYXMYNKDP-GHMZBOCLSA-N 1 0 249.314 2.610 20 5 BFBDRO CC(C)[C@H]1CCN1Cc1csc([N+](=O)[O-])c1 ZINC000342859487 398162767 /nfs/dbraw/zinc/16/27/67/398162767.db2.gz GGYCQUKYHYBGNT-SNVBAGLBSA-N 1 0 240.328 2.887 20 5 BFBDRO Cc1c(C[N@H+]2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293429245 398194368 /nfs/dbraw/zinc/19/43/68/398194368.db2.gz NPKDQTPOZYSJRG-KOLCDFICSA-N 1 0 234.299 2.743 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H]1C ZINC000353110746 178271045 /nfs/dbraw/zinc/27/10/45/178271045.db2.gz LXPLSBOZEAFZQQ-NOZJJQNGSA-N 1 0 234.299 2.791 20 5 BFBDRO CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273371570 398286703 /nfs/dbraw/zinc/28/67/03/398286703.db2.gz AQVOUEVBQHQRQB-SNVBAGLBSA-N 1 0 222.288 2.791 20 5 BFBDRO Cc1ccc([C@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000020083075 398303815 /nfs/dbraw/zinc/30/38/15/398303815.db2.gz ZVODSGMZCWPJNI-VIFPVBQESA-N 1 0 220.272 2.716 20 5 BFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C(C)C ZINC000092731475 398312705 /nfs/dbraw/zinc/31/27/05/398312705.db2.gz HHEBNZLGZYBZNA-YRNVUSSQSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133319 343659652 /nfs/dbraw/zinc/65/96/52/343659652.db2.gz DHMOOQQSPFWUCR-GHMZBOCLSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000119625764 344444290 /nfs/dbraw/zinc/44/42/90/344444290.db2.gz UNSIRAZIZMRCFD-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC1 ZINC000132713422 344592364 /nfs/dbraw/zinc/59/23/64/344592364.db2.gz QMPMHCXDACYEQT-SECBINFHSA-N 1 0 220.272 2.716 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=CCC1 ZINC000611517183 344747775 /nfs/dbraw/zinc/74/77/75/344747775.db2.gz GTRKGDRHSACWNB-NSHDSACASA-N 1 0 232.283 2.918 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC23CCC3)c1 ZINC000081562768 345478790 /nfs/dbraw/zinc/47/87/90/345478790.db2.gz JMDUXVBGGKQRRX-UHFFFAOYSA-N 1 0 232.283 2.723 20 5 BFBDRO CC(C)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910199 345572845 /nfs/dbraw/zinc/57/28/45/345572845.db2.gz LQCVGJHYZPEKNM-NSHDSACASA-N 1 0 236.315 2.771 20 5 BFBDRO CC[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340676942 345616985 /nfs/dbraw/zinc/61/69/85/345616985.db2.gz KHXOCRLVMPIYOF-GFCCVEGCSA-N 1 0 234.299 2.969 20 5 BFBDRO Cc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093503477 345674711 /nfs/dbraw/zinc/67/47/11/345674711.db2.gz SGMNVCYEJQWILP-VXGBXAGGSA-N 1 0 248.326 2.991 20 5 BFBDRO Cc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382439997 346183934 /nfs/dbraw/zinc/18/39/34/346183934.db2.gz ZWVLZVIRIBTGLL-QWRGUYRKSA-N 1 0 249.314 2.585 20 5 BFBDRO Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382439996 346184179 /nfs/dbraw/zinc/18/41/79/346184179.db2.gz ZWVLZVIRIBTGLL-MNOVXSKESA-N 1 0 249.314 2.585 20 5 BFBDRO CC[C@H](NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000136570039 346244161 /nfs/dbraw/zinc/24/41/61/346244161.db2.gz JZFPNWVXFPEJHW-JTQLQIEISA-N 1 0 244.241 2.901 20 5 BFBDRO C[C@H](CF)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594607451 348081425 /nfs/dbraw/zinc/08/14/25/348081425.db2.gz VKTZZYBULISDCT-KCJUWKMLSA-N 1 0 238.262 2.530 20 5 BFBDRO C[C@H](CF)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594607453 348081577 /nfs/dbraw/zinc/08/15/77/348081577.db2.gz VKTZZYBULISDCT-LDYMZIIASA-N 1 0 238.262 2.530 20 5 BFBDRO Cc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1[N+](=O)[O-] ZINC000594953323 348147800 /nfs/dbraw/zinc/14/78/00/348147800.db2.gz RPRKWHMEBRIRIX-TZMCWYRMSA-N 1 0 246.310 2.935 20 5 BFBDRO CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006564 348157980 /nfs/dbraw/zinc/15/79/80/348157980.db2.gz KPEGULQXKNKEDY-VIFPVBQESA-N 1 0 238.287 2.664 20 5 BFBDRO CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006563 348158228 /nfs/dbraw/zinc/15/82/28/348158228.db2.gz KPEGULQXKNKEDY-SECBINFHSA-N 1 0 238.287 2.664 20 5 BFBDRO CC(C)(F)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594974111 348162751 /nfs/dbraw/zinc/16/27/51/348162751.db2.gz YZLBURHNZWRQFU-UHFFFAOYSA-N 1 0 246.307 2.884 20 5 BFBDRO Cc1noc(C[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000595413377 348241703 /nfs/dbraw/zinc/24/17/03/348241703.db2.gz ZXXMPQUIRWIQOM-UHFFFAOYSA-N 1 0 241.291 2.510 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595363491 348230391 /nfs/dbraw/zinc/23/03/91/348230391.db2.gz DMFFCJGQEHDAMT-VIFPVBQESA-N 1 0 240.278 2.964 20 5 BFBDRO CC[C@@H](C)[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595600185 348294467 /nfs/dbraw/zinc/29/44/67/348294467.db2.gz NMQIJNSOQMXIBP-MRVPVSSYSA-N 1 0 241.291 2.512 20 5 BFBDRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597222517 348693258 /nfs/dbraw/zinc/69/32/58/348693258.db2.gz DTKIUHANAADKOL-STQMWFEESA-N 1 0 246.310 2.745 20 5 BFBDRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000342864050 350816835 /nfs/dbraw/zinc/81/68/35/350816835.db2.gz ZOEGFPFHRXSXIR-CYBMUJFWSA-N 1 0 234.299 2.825 20 5 BFBDRO CC(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176774 187939914 /nfs/dbraw/zinc/93/99/14/187939914.db2.gz ATFGPUSGSFOCEP-JTQLQIEISA-N 1 0 222.288 2.901 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000035121604 355834852 /nfs/dbraw/zinc/83/48/52/355834852.db2.gz KVRKOVNNVGMLGC-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO C[C@H]1C[C@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000336055587 134066363 /nfs/dbraw/zinc/06/63/63/134066363.db2.gz UMMGXHVLLXKZNN-UWVGGRQHSA-N 1 0 220.272 2.578 20 5 BFBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000420271491 192196481 /nfs/dbraw/zinc/19/64/81/192196481.db2.gz CRZCYYKKRVURJD-QWRGUYRKSA-N 1 0 249.314 2.524 20 5 BFBDRO C[C@H]1C[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133349 357221526 /nfs/dbraw/zinc/22/15/26/357221526.db2.gz ICQBCLVFFTUYKZ-RYUDHWBXSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493620 366831833 /nfs/dbraw/zinc/83/18/33/366831833.db2.gz NMDBECMBLHLMJU-NRUUGDAUSA-N 1 0 246.310 2.828 20 5 BFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000387935386 369398980 /nfs/dbraw/zinc/39/89/80/369398980.db2.gz ZOIXGPWRSXDCOR-PWSUYJOCSA-N 1 0 234.299 2.731 20 5 BFBDRO CC(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085897 370236154 /nfs/dbraw/zinc/23/61/54/370236154.db2.gz OPHQFYPKGQRLEW-JTQLQIEISA-N 1 0 222.288 2.901 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000020131373 371232938 /nfs/dbraw/zinc/23/29/38/371232938.db2.gz CPKMNGUFMXPQMW-UHFFFAOYSA-N 1 0 246.310 2.873 20 5 BFBDRO CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000040492694 373323965 /nfs/dbraw/zinc/32/39/65/373323965.db2.gz UCPSFSARWQGDME-UHFFFAOYSA-N 1 0 222.288 2.731 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)C2CC2)cc1 ZINC000076348710 182928644 /nfs/dbraw/zinc/92/86/44/182928644.db2.gz VATHYPUMNFJAET-UHFFFAOYSA-N 1 0 246.310 2.969 20 5 BFBDRO CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000038132284 169285982 /nfs/dbraw/zinc/28/59/82/169285982.db2.gz QZGOPMNZLHZSBT-SNVBAGLBSA-N 1 0 222.288 2.525 20 5 BFBDRO CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000037948149 169275408 /nfs/dbraw/zinc/27/54/08/169275408.db2.gz DHSKKZBFINCGME-NSHDSACASA-N 1 0 236.315 2.916 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000310259329 384083502 /nfs/dbraw/zinc/08/35/02/384083502.db2.gz HJFFDVHDJSKKGR-MRVPVSSYSA-N 1 0 238.262 2.622 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2CCC1CC2 ZINC000362343291 384197196 /nfs/dbraw/zinc/19/71/96/384197196.db2.gz TZTVZNVBFCXCIP-UHFFFAOYSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000602717792 384335873 /nfs/dbraw/zinc/33/58/73/384335873.db2.gz CGGURRNKUBQFRM-BTTYYORXSA-N 1 0 246.310 2.525 20 5 BFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000075841306 384342170 /nfs/dbraw/zinc/34/21/70/384342170.db2.gz ZSWCKPPVCVXGMM-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](F)C2)cs1 ZINC000309489100 384533861 /nfs/dbraw/zinc/53/38/61/384533861.db2.gz HTAYSZABSTZUCI-IUCAKERBSA-N 1 0 244.291 2.637 20 5 BFBDRO CC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310361921 384954820 /nfs/dbraw/zinc/95/48/20/384954820.db2.gz TXUYPBRHWGOCEW-SECBINFHSA-N 1 0 240.278 2.870 20 5 BFBDRO CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551773 385139042 /nfs/dbraw/zinc/13/90/42/385139042.db2.gz VFRQTGNSYAAAKM-LBPRGKRZSA-N 1 0 234.299 2.794 20 5 BFBDRO Cc1ccc(C[NH2+]C2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000540612633 385179360 /nfs/dbraw/zinc/17/93/60/385179360.db2.gz LXDBAUMKOCTTJN-UHFFFAOYSA-N 1 0 246.310 2.935 20 5 BFBDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccccc1[N+](=O)[O-] ZINC000340462824 385228411 /nfs/dbraw/zinc/22/84/11/385228411.db2.gz PYKQWXXXOOFUJX-VHSXEESVSA-N 1 0 240.278 2.994 20 5 BFBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCC1CC1 ZINC000338362013 385231492 /nfs/dbraw/zinc/23/14/92/385231492.db2.gz SMEBGDLZWCDPSC-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086119778 385695672 /nfs/dbraw/zinc/69/56/72/385695672.db2.gz VWRVLXXPZKKRIL-LBPRGKRZSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]([NH2+]C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293794298 386529071 /nfs/dbraw/zinc/52/90/71/386529071.db2.gz QTDFQYSUYFEWTC-VIFPVBQESA-N 1 0 249.314 2.770 20 5 BFBDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957889 386760607 /nfs/dbraw/zinc/76/06/07/386760607.db2.gz YVTFAPQXMAMHDT-UFBFGSQYSA-N 1 0 249.314 2.626 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000152625165 387341418 /nfs/dbraw/zinc/34/14/18/387341418.db2.gz PNUAWPYJJGIXCA-BETUJISGSA-N 1 0 246.310 2.827 20 5 BFBDRO C[C@H](C1CC1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000076873116 388508394 /nfs/dbraw/zinc/50/83/94/388508394.db2.gz WHTSJURSUXIFOJ-LLVKDONJSA-N 1 0 248.326 2.868 20 5 BFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255306558 388677234 /nfs/dbraw/zinc/67/72/34/388677234.db2.gz MZYQIXHUEADMCS-XQRVVYSFSA-N 1 0 232.283 2.702 20 5 BFBDRO CC1(F)CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449371201 388748594 /nfs/dbraw/zinc/74/85/94/388748594.db2.gz RIZULJMPOYEILF-UHFFFAOYSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC12CC2 ZINC000424181555 388694645 /nfs/dbraw/zinc/69/46/45/388694645.db2.gz CGCDOYMRIKKTDC-HSBHDXMMSA-N 1 0 244.294 2.750 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426455014 388710737 /nfs/dbraw/zinc/71/07/37/388710737.db2.gz SAVZFWBSWSVFEP-YPMHNXCESA-N 1 0 246.310 2.969 20 5 BFBDRO CC[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000068451183 388712510 /nfs/dbraw/zinc/71/25/10/388712510.db2.gz ZEFSBELQCHCLRF-NSHDSACASA-N 1 0 236.315 2.868 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000378311689 388726853 /nfs/dbraw/zinc/72/68/53/388726853.db2.gz DRUYUDHBYJHMKD-LBPRGKRZSA-N 1 0 246.310 2.827 20 5 BFBDRO Cc1c([C@@H](C)[NH2+]CC2CC2)cccc1[N+](=O)[O-] ZINC000131131060 388838400 /nfs/dbraw/zinc/83/84/00/388838400.db2.gz IXJAVMSXEOVEIE-SNVBAGLBSA-N 1 0 234.299 2.964 20 5 BFBDRO CC[C@@H](C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153382297 388967527 /nfs/dbraw/zinc/96/75/27/388967527.db2.gz SQSSCEYJSPIITO-LLVKDONJSA-N 1 0 248.326 2.999 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426462229 224510153 /nfs/dbraw/zinc/51/01/53/224510153.db2.gz QKJVGZBADLQMMI-JSGCOSHPSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000342279266 135255792 /nfs/dbraw/zinc/25/57/92/135255792.db2.gz DFKPYDOBDFKFKE-MNOVXSKESA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000342290409 135256677 /nfs/dbraw/zinc/25/66/77/135256677.db2.gz CXOQPURIMNTTFP-MNOVXSKESA-N 1 0 238.262 2.575 20 5 BFBDRO CCC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000342694934 135306155 /nfs/dbraw/zinc/30/61/55/135306155.db2.gz GHWUCKBKZFATAQ-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO CCC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000342740417 135310699 /nfs/dbraw/zinc/31/06/99/135310699.db2.gz UOSDLJTXNVUIEZ-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080460658 135409666 /nfs/dbraw/zinc/40/96/66/135409666.db2.gz UVERNKIIMNUJHU-ZYHUDNBSSA-N 1 0 234.299 2.873 20 5 BFBDRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000348123581 136033160 /nfs/dbraw/zinc/03/31/60/136033160.db2.gz VHFHRSUMMKHJCU-TZMCWYRMSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000348371164 136073759 /nfs/dbraw/zinc/07/37/59/136073759.db2.gz FFWLFGINEUMBMF-TZMCWYRMSA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000211143338 167000240 /nfs/dbraw/zinc/00/02/40/167000240.db2.gz YZWRTMNQDCAFRL-ALCCZGGFSA-N 1 0 234.299 2.854 20 5 BFBDRO CC(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085898 167014146 /nfs/dbraw/zinc/01/41/46/167014146.db2.gz OPHQFYPKGQRLEW-SNVBAGLBSA-N 1 0 222.288 2.901 20 5 BFBDRO CC(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000082382646 167093143 /nfs/dbraw/zinc/09/31/43/167093143.db2.gz XQRQEPFYIKGKAJ-FNORWQNLSA-N 1 0 220.272 2.606 20 5 BFBDRO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963022 167119895 /nfs/dbraw/zinc/11/98/95/167119895.db2.gz CAORYZDSNXOPBU-UHFFFAOYSA-N 1 0 228.679 2.746 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000152624951 411273663 /nfs/dbraw/zinc/27/36/63/411273663.db2.gz BLNQYYWWWUJUSY-STQMWFEESA-N 1 0 246.310 2.827 20 5 BFBDRO CC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000280741031 168020696 /nfs/dbraw/zinc/02/06/96/168020696.db2.gz ZSFXSSPHDXUGLE-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123006408 411509015 /nfs/dbraw/zinc/50/90/15/411509015.db2.gz AOXANDZGEJQCPZ-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO CC[C@H](C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726605 171285186 /nfs/dbraw/zinc/28/51/86/171285186.db2.gz YYDXBYQODRTZJU-NSHDSACASA-N 1 0 236.315 2.773 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310235294 171308360 /nfs/dbraw/zinc/30/83/60/171308360.db2.gz ADAVYUHAOPNOSW-VIFPVBQESA-N 1 0 240.278 2.964 20 5 BFBDRO CC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909839 171341379 /nfs/dbraw/zinc/34/13/79/171341379.db2.gz OCULCJNFWGPKHZ-JTQLQIEISA-N 1 0 222.288 2.525 20 5 BFBDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293643866 175870036 /nfs/dbraw/zinc/87/00/36/175870036.db2.gz IFUAASVMFJHWGT-SECBINFHSA-N 1 0 249.314 2.628 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000292977669 176026838 /nfs/dbraw/zinc/02/68/38/176026838.db2.gz KVLLHPDUEMVHOY-VWYCJHECSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774382 176175244 /nfs/dbraw/zinc/17/52/44/176175244.db2.gz RNFJOBMTYJGSSL-SECBINFHSA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000177904031 176176241 /nfs/dbraw/zinc/17/62/41/176176241.db2.gz LFWSDDRKJXRVCB-GHMZBOCLSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000177904058 176178193 /nfs/dbraw/zinc/17/81/93/176178193.db2.gz NVOKELIKMCTFQL-RKDXNWHRSA-N 1 0 240.328 2.887 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123061353 176199741 /nfs/dbraw/zinc/19/97/41/176199741.db2.gz GPNXUPSVVXIUEY-GHMZBOCLSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000128541406 176233518 /nfs/dbraw/zinc/23/35/18/176233518.db2.gz XITYWGMSHKKJLL-SCZZXKLOSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000310553168 176378296 /nfs/dbraw/zinc/37/82/96/176378296.db2.gz XEDUXECRLFODIN-CKYFFXLPSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000336796081 176421803 /nfs/dbraw/zinc/42/18/03/176421803.db2.gz PGYPFZZHCZLEAE-GYSYKLTISA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070827914 177143103 /nfs/dbraw/zinc/14/31/03/177143103.db2.gz JUAAPYNUZLTWCL-WCBMZHEXSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000123275589 177200104 /nfs/dbraw/zinc/20/01/04/177200104.db2.gz XZBXISMYOGXITK-QWRGUYRKSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@H]1C[NH+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000267641238 177270621 /nfs/dbraw/zinc/27/06/21/177270621.db2.gz IYUSVVXGICJWTL-IUCAKERBSA-N 1 0 240.328 2.744 20 5 BFBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000449439403 322972050 /nfs/dbraw/zinc/97/20/50/322972050.db2.gz IFGKDDZLTYKIDH-VLWUPBBWSA-N 1 0 246.310 2.996 20 5 BFBDRO CC(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570696642 323067684 /nfs/dbraw/zinc/06/76/84/323067684.db2.gz QMAAZGQMRYKWLH-GFCCVEGCSA-N 1 0 234.299 2.828 20 5 BFBDRO Cc1ccc(C[NH2+]C/C=C\Cl)cc1[N+](=O)[O-] ZINC000898435176 584136078 /nfs/dbraw/zinc/13/60/78/584136078.db2.gz GBPPTWZQLXUFNY-DJWKRKHSSA-N 1 0 240.690 2.745 20 5 BFBDRO Cc1ccc([C@@H](C)[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000020085529 585023744 /nfs/dbraw/zinc/02/37/44/585023744.db2.gz BSRQFRMWLSATCC-SNVBAGLBSA-N 1 0 222.288 2.962 20 5 BFBDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625544 586689049 /nfs/dbraw/zinc/68/90/49/586689049.db2.gz GRGZKUUOHNNEJG-PTRXPTGYSA-N 1 0 249.314 2.626 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1CC1 ZINC000876580107 590218733 /nfs/dbraw/zinc/21/87/33/590218733.db2.gz FZLLZSCUAZGZDM-UHFFFAOYSA-N 1 0 234.299 2.806 20 5 BFBDRO Cc1c(C[N@@H+]2CC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877562628 590359741 /nfs/dbraw/zinc/35/97/41/590359741.db2.gz YCKGKUGOUFQXLJ-AWEZNQCLSA-N 1 0 246.310 2.888 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2CCC2)cc1 ZINC000134191486 591898727 /nfs/dbraw/zinc/89/87/27/591898727.db2.gz IZGLSNUGZHQEFH-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886327399 592209528 /nfs/dbraw/zinc/20/95/28/592209528.db2.gz IJHHIRIHNDICNJ-JLLWLGSASA-N 1 0 232.283 2.608 20 5 BFBDRO [NH3+]C1(CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000261557240 635498401 /nfs/dbraw/zinc/49/84/01/635498401.db2.gz CLUAMTICLXBLKA-UHFFFAOYSA-N 1 0 249.314 2.668 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000905228694 637689068 /nfs/dbraw/zinc/68/90/68/637689068.db2.gz GHNVTJIDHNRURC-UONOGXRCSA-N 1 0 248.326 2.579 20 5 BFBDRO Cc1cccc([C@H]([NH2+]CC[N+](=O)[O-])C(C)C)c1 ZINC000931257606 640118031 /nfs/dbraw/zinc/11/80/31/640118031.db2.gz SBWZZYPZQVBLJP-CYBMUJFWSA-N 1 0 236.315 2.558 20 5 BFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922512349 644008889 /nfs/dbraw/zinc/00/88/89/644008889.db2.gz RTXDNXYVZDGNOU-WBMYTEFPSA-N 1 0 246.310 2.729 20 5 BFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc2ccccc21 ZINC000930183515 645886943 /nfs/dbraw/zinc/88/69/43/645886943.db2.gz PVEGBBLBRZXZPX-NSHDSACASA-N 1 0 244.294 2.767 20 5 BFBDRO C[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006934 969330434 /nfs/dbraw/zinc/33/04/34/969330434.db2.gz KJKDOZAUTZCOAO-JHJVBQTASA-N 1 0 240.347 2.554 20 5 BFBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044569 969359716 /nfs/dbraw/zinc/35/97/16/969359716.db2.gz IKDDBXDZYDYDCZ-XQQFMLRXSA-N 1 0 240.347 2.552 20 5 BFBDRO C[C@@H](O[C@@H](C)C[N+](C)(C)C)c1ccccc1 ZINC001223446989 973076258 /nfs/dbraw/zinc/07/62/58/973076258.db2.gz VFXMAZFKENFPEY-QWHCGFSZSA-N 1 0 222.352 2.859 20 5 BFBDRO Cc1ccc2c(c1)[C@H](OCC[N+](C)(C)C)CC2 ZINC001224770987 973936739 /nfs/dbraw/zinc/93/67/39/973936739.db2.gz DMIFFJUFXBEXIO-OAHLLOKOSA-N 1 0 234.363 2.705 20 5 BFBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)C1CC1 ZINC001224771413 973939099 /nfs/dbraw/zinc/93/90/99/973939099.db2.gz MBCGGINCLZWFDT-HNNXBMFYSA-N 1 0 234.363 2.861 20 5 BFBDRO C[N+](C)(C)CCO[C@H]1CCC=CCCC1 ZINC001224776202 973942993 /nfs/dbraw/zinc/94/29/93/973942993.db2.gz SNVUPLVKRRVHHE-ZDUSSCGKSA-N 1 0 212.357 2.598 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cccc1Cl ZINC001225865106 962878607 /nfs/dbraw/zinc/87/86/07/962878607.db2.gz PMICXFOCPYDNGK-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@@H]1CCC[C@@H](OCCC[N+](C)(C)C)[C@H]1C ZINC001224623449 964815499 /nfs/dbraw/zinc/81/54/99/964815499.db2.gz NNJQGJGAFLPMRL-HZSPNIEDSA-N 1 0 228.400 2.924 20 5 BFBDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000698324485 968226450 /nfs/dbraw/zinc/22/64/50/968226450.db2.gz ANKBFPJKWNZJDP-PWSUYJOCSA-N 1 0 232.283 2.964 20 5 BFBDRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000698324484 968227978 /nfs/dbraw/zinc/22/79/78/968227978.db2.gz ANKBFPJKWNZJDP-JQWIXIFHSA-N 1 0 232.283 2.964 20 5 BFBDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976299 969294477 /nfs/dbraw/zinc/29/44/77/969294477.db2.gz CJRRARSJBCXRLQ-YNEHKIRRSA-N 1 0 242.363 2.846 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168960060 969309218 /nfs/dbraw/zinc/30/92/18/969309218.db2.gz ZNJPVGYQWWQDTL-ZIAGYGMSSA-N 1 0 248.326 2.530 20 5 BFBDRO CC1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168959174 969309240 /nfs/dbraw/zinc/30/92/40/969309240.db2.gz UJQZMZHMAINMAU-PYNQCMFNSA-N 1 0 240.347 2.600 20 5 BFBDRO CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168961695 969312843 /nfs/dbraw/zinc/31/28/43/969312843.db2.gz JQLYSGFDKZRNEH-RYUDHWBXSA-N 1 0 240.347 2.744 20 5 BFBDRO CC1(C)CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996511 969327685 /nfs/dbraw/zinc/32/76/85/969327685.db2.gz VKEXYQMLUCVKPK-UTUOFQBUSA-N 1 0 240.347 2.600 20 5 BFBDRO CCC[NH+](CCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006388 969331500 /nfs/dbraw/zinc/33/15/00/969331500.db2.gz HMNOSTXDEYNHTG-NEPJUHHUSA-N 1 0 228.336 2.554 20 5 BFBDRO C[C@@H]1CCCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027504 969344621 /nfs/dbraw/zinc/34/46/21/969344621.db2.gz QRBNKXKUVFAVGW-FRRDWIJNSA-N 1 0 240.347 2.696 20 5 BFBDRO CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038944 969355552 /nfs/dbraw/zinc/35/55/52/969355552.db2.gz LSKOKUXYUVEQPM-JHJVBQTASA-N 1 0 240.347 2.554 20 5 BFBDRO CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038943 969355622 /nfs/dbraw/zinc/35/56/22/969355622.db2.gz LSKOKUXYUVEQPM-FRRDWIJNSA-N 1 0 240.347 2.554 20 5 BFBDRO C[N@H+](CC1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040109 969356628 /nfs/dbraw/zinc/35/66/28/969356628.db2.gz XXTZLBMVFDLCBP-STQMWFEESA-N 1 0 240.347 2.554 20 5 BFBDRO C[N@H+](CC1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040108 969358321 /nfs/dbraw/zinc/35/83/21/969358321.db2.gz XXTZLBMVFDLCBP-QWHCGFSZSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1C ZINC001254552031 969735857 /nfs/dbraw/zinc/73/58/57/969735857.db2.gz IFRLWNJYDGZTLT-GHMZBOCLSA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C12CC(C1)C2 ZINC001254537265 969737548 /nfs/dbraw/zinc/73/75/48/969737548.db2.gz YMADBQGXIGJUSR-CDWSIMAYSA-N 1 0 246.310 2.668 20 5 BFBDRO CC[C@@H](C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566449 969741262 /nfs/dbraw/zinc/74/12/62/969741262.db2.gz KEVSYRISQCWFHE-ZWNOBZJWSA-N 1 0 248.326 2.698 20 5 BFBDRO CC(C)C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598493 969743137 /nfs/dbraw/zinc/74/31/37/969743137.db2.gz JYLPVOLVGNLKFL-CQSZACIVSA-N 1 0 248.326 2.650 20 5 BFBDRO CCC[N@H+](CC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595909 969744818 /nfs/dbraw/zinc/74/48/18/969744818.db2.gz AGZQHKOCOBTYOC-AWEZNQCLSA-N 1 0 248.326 2.794 20 5 BFBDRO CC/C=C/[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581147 969744911 /nfs/dbraw/zinc/74/49/11/969744911.db2.gz LBJJKHATQWYWGZ-UXONFWTHSA-N 1 0 232.283 2.575 20 5 BFBDRO Cc1ccc(CO[C@H](C)C[N+](C)(C)C)cc1C ZINC001222851318 972710560 /nfs/dbraw/zinc/71/05/60/972710560.db2.gz YIIDXSQZZKWNAU-CQSZACIVSA-N 1 0 236.379 2.915 20 5 BFBDRO C[C@H](C[N+](C)(C)C)O[C@@H](C)c1ccccc1 ZINC001223446988 973077591 /nfs/dbraw/zinc/07/75/91/973077591.db2.gz VFXMAZFKENFPEY-OLZOCXBDSA-N 1 0 222.352 2.859 20 5 BFBDRO C=C(O[C@H](C)C[N+](C)(C)C)c1ccccc1 ZINC001223639804 973206451 /nfs/dbraw/zinc/20/64/51/973206451.db2.gz VWFXABOMLKMTEZ-GFCCVEGCSA-N 1 0 220.336 2.769 20 5 BFBDRO C[C@H](OCCC[N+](C)(C)C)c1ccccc1F ZINC001224619424 973802836 /nfs/dbraw/zinc/80/28/36/973802836.db2.gz NSBGERDHEGDMHK-LBPRGKRZSA-N 1 0 240.342 3.000 20 5 BFBDRO CCC(CC)[C@H](CC)OCC[N+](C)(C)C ZINC001224776291 973942967 /nfs/dbraw/zinc/94/29/67/973942967.db2.gz UNVAKOFPOLRMEM-ZDUSSCGKSA-N 1 0 216.389 2.924 20 5 BFBDRO C[C@@H]1CCC[C@@H](C)C1OCC[N+](C)(C)C ZINC001224772722 973939568 /nfs/dbraw/zinc/93/95/68/973939568.db2.gz BWWARWFODBOSLJ-VXGBXAGGSA-N 1 0 214.373 2.534 20 5 BFBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(F)c1F ZINC001224775974 973940328 /nfs/dbraw/zinc/94/03/28/973940328.db2.gz QMWFCKBKGQGXFF-JTQLQIEISA-N 1 0 244.305 2.749 20 5 BFBDRO CC1(C)CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224775775 973941080 /nfs/dbraw/zinc/94/10/80/973941080.db2.gz OVTUXQPDBFYXIU-GFCCVEGCSA-N 1 0 214.373 2.678 20 5 BFBDRO CCC[C@H](OCC[N+](C)(C)C)C(C)(C)C ZINC001224776044 973942650 /nfs/dbraw/zinc/94/26/50/973942650.db2.gz RNPPPRZUUAJHOK-LBPRGKRZSA-N 1 0 216.389 2.924 20 5 BFBDRO CCOc1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001225212429 974238485 /nfs/dbraw/zinc/23/84/85/974238485.db2.gz IWQKRPZSWZMZER-LBPRGKRZSA-N 1 0 238.351 2.559 20 5 BFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001225222778 974260135 /nfs/dbraw/zinc/26/01/35/974260135.db2.gz KKAYMTAANOFGRV-ZDUSSCGKSA-N 1 0 222.352 2.777 20 5 BFBDRO CCOc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001225255781 974315490 /nfs/dbraw/zinc/31/54/90/974315490.db2.gz LTOMTFGIJRGKEC-LBPRGKRZSA-N 1 0 238.351 2.559 20 5 BFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ccc1F ZINC001225325118 974402570 /nfs/dbraw/zinc/40/25/70/974402570.db2.gz GPXXEDWCIFMQHM-LLVKDONJSA-N 1 0 226.315 2.608 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC1)CC2 ZINC001172898652 974961128 /nfs/dbraw/zinc/96/11/28/974961128.db2.gz MUOMLPXQWYRQPU-GFCCVEGCSA-N 1 0 246.310 2.594 20 5 BFBDRO CC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909182 974962084 /nfs/dbraw/zinc/96/20/84/974962084.db2.gz PWTNHKOJATULTE-CYBMUJFWSA-N 1 0 248.326 2.794 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]1C ZINC001173223090 975075215 /nfs/dbraw/zinc/07/52/15/975075215.db2.gz XHUDLXSLFVDWRM-WDEREUQCSA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC001173230651 975078511 /nfs/dbraw/zinc/07/85/11/975078511.db2.gz ZJTGOSVXNNUWLE-SNVBAGLBSA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC=CC1 ZINC001173214502 975079347 /nfs/dbraw/zinc/07/93/47/975079347.db2.gz OCXKMUNWGZDBFE-LLVKDONJSA-N 1 0 246.310 2.834 20 5 BFBDRO Cc1cc(Cl)ncc1O[C@H](C)C[N+](C)(C)C ZINC001228533715 976297850 /nfs/dbraw/zinc/29/78/50/976297850.db2.gz YUCIIKYBJJXCCZ-SNVBAGLBSA-N 1 0 243.758 2.517 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(ccn2C)c1 ZINC001229115255 976751386 /nfs/dbraw/zinc/75/13/86/976751386.db2.gz OPUFXKYUXFYIQD-LBPRGKRZSA-N 1 0 247.362 2.652 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1O ZINC001229548519 976898275 /nfs/dbraw/zinc/89/82/75/976898275.db2.gz YXOPJXLOKWILMD-SECBINFHSA-O 1 0 244.742 2.519 20 5 BFBDRO CCOc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001230555148 977251661 /nfs/dbraw/zinc/25/16/61/977251661.db2.gz FYENXPGFJKAISY-LBPRGKRZSA-N 1 0 238.351 2.559 20 5 BFBDRO C[NH+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219927 977944763 /nfs/dbraw/zinc/94/47/63/977944763.db2.gz XQGMRRITDXGWRK-UHFFFAOYSA-N 1 0 237.306 2.845 20 5 BFBDRO Cc1c[nH]c(Nc2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001336889524 978030452 /nfs/dbraw/zinc/03/04/52/978030452.db2.gz QBSXHSDTDZPTHM-UHFFFAOYSA-N 1 0 236.206 2.509 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCCCC1 ZINC000183399274 178271027 /nfs/dbraw/zinc/27/10/27/178271027.db2.gz FMJIXHWZZYKJKA-UHFFFAOYSA-N 1 0 234.299 2.889 20 5 BFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000298716416 398296700 /nfs/dbraw/zinc/29/67/00/398296700.db2.gz IQXASLCXPLIXNR-UHFFFAOYSA-N 1 0 234.299 2.622 20 5 BFBDRO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])cc1 ZINC000133489944 168417422 /nfs/dbraw/zinc/41/74/22/168417422.db2.gz OAOAJMMHQYHINV-UHFFFAOYSA-N 1 0 237.303 2.524 20 5 BFBDRO CC(C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020306209 187254069 /nfs/dbraw/zinc/25/40/69/187254069.db2.gz SSIMAWTUFZFUAY-JTQLQIEISA-N 1 0 222.288 2.729 20 5 BFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000070011968 343946367 /nfs/dbraw/zinc/94/63/67/343946367.db2.gz COZZYECUMRPYNE-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO Cc1ccc(C[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000092471341 344296747 /nfs/dbraw/zinc/29/67/47/344296747.db2.gz REGHANLTBKOOCG-JTQLQIEISA-N 1 0 234.299 2.745 20 5 BFBDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457592 344408895 /nfs/dbraw/zinc/40/88/95/344408895.db2.gz KJIXIRPILBEPEG-OUAUKWLOSA-N 1 0 234.299 2.901 20 5 BFBDRO CC1(C)C[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263832375 344525985 /nfs/dbraw/zinc/52/59/85/344525985.db2.gz VQAYGYHCBZWDEY-IYNGYCSASA-N 1 0 246.310 2.996 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=CCC1 ZINC000611517430 344748485 /nfs/dbraw/zinc/74/84/85/344748485.db2.gz AVRGDCXPFCHCQG-NSHDSACASA-N 1 0 232.283 2.918 20 5 BFBDRO CCC1([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000296254767 168497670 /nfs/dbraw/zinc/49/76/70/168497670.db2.gz DASLIKMLKVHIDM-SECBINFHSA-N 1 0 249.314 2.770 20 5 BFBDRO CCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449066740 201800971 /nfs/dbraw/zinc/80/09/71/201800971.db2.gz FFBMROLFZWOPAV-NSHDSACASA-N 1 0 236.315 2.916 20 5 BFBDRO CC1(C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000081045755 345459738 /nfs/dbraw/zinc/45/97/38/345459738.db2.gz CUWCJCGBRXRDOK-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382439994 346183875 /nfs/dbraw/zinc/18/38/75/346183875.db2.gz ZWVLZVIRIBTGLL-GHMZBOCLSA-N 1 0 249.314 2.585 20 5 BFBDRO CC[C@@H](NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000136570085 346244483 /nfs/dbraw/zinc/24/44/83/346244483.db2.gz JZFPNWVXFPEJHW-SNVBAGLBSA-N 1 0 244.241 2.901 20 5 BFBDRO CC[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000054468875 348022816 /nfs/dbraw/zinc/02/28/16/348022816.db2.gz UNGCSSWFOOGIDN-QMMMGPOBSA-N 1 0 228.317 2.792 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1CC1 ZINC000594498871 348063231 /nfs/dbraw/zinc/06/32/31/348063231.db2.gz MIOPXERNFBOSDM-CYBMUJFWSA-N 1 0 246.310 2.972 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC=CC1 ZINC000594503594 348064329 /nfs/dbraw/zinc/06/43/29/348064329.db2.gz ZSTJDWWUONFTRU-CYBMUJFWSA-N 1 0 244.294 2.890 20 5 BFBDRO CC1(C)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510208 348060988 /nfs/dbraw/zinc/06/09/88/348060988.db2.gz AZJFCKQTVQOBJB-DGCLKSJQSA-N 1 0 246.310 2.970 20 5 BFBDRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594996367 348168668 /nfs/dbraw/zinc/16/86/68/348168668.db2.gz MUYJBITUTDICHG-ZDUSSCGKSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595297043 348215814 /nfs/dbraw/zinc/21/58/14/348215814.db2.gz PDOMNXYHQJVJBX-UHFFFAOYSA-N 1 0 240.278 2.822 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595334208 348228706 /nfs/dbraw/zinc/22/87/06/348228706.db2.gz NKWLSUPCRRFAKG-SECBINFHSA-N 1 0 238.262 2.718 20 5 BFBDRO CCC(C)(C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595373208 348231913 /nfs/dbraw/zinc/23/19/13/348231913.db2.gz YLWCFZQOCCKXBD-UHFFFAOYSA-N 1 0 241.291 2.512 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595561643 348281103 /nfs/dbraw/zinc/28/11/03/348281103.db2.gz KMTPLBGPSHEIFO-JSGCOSHPSA-N 1 0 246.310 2.969 20 5 BFBDRO C/C=C\C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080638 349096211 /nfs/dbraw/zinc/09/62/11/349096211.db2.gz ICKLAKYJKJQRAR-ZZKXABKFSA-N 1 0 232.283 2.748 20 5 BFBDRO CC(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020306206 349357449 /nfs/dbraw/zinc/35/74/49/349357449.db2.gz AZBQFIVFQRAJKN-JTQLQIEISA-N 1 0 222.288 2.729 20 5 BFBDRO CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000226787702 535152195 /nfs/dbraw/zinc/15/21/95/535152195.db2.gz BVQWGZCDTSUEIX-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000168041869 351271820 /nfs/dbraw/zinc/27/18/20/351271820.db2.gz MTKKQKNZNJEGMH-UHFFFAOYSA-N 1 0 234.299 2.670 20 5 BFBDRO Cc1ccc(C[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000034994897 188285189 /nfs/dbraw/zinc/28/51/89/188285189.db2.gz PFORQQRZCXXXPM-UHFFFAOYSA-N 1 0 222.288 2.649 20 5 BFBDRO CC(C)=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000191626943 188350475 /nfs/dbraw/zinc/35/04/75/188350475.db2.gz JFVHLICQDSBNPF-UHFFFAOYSA-N 1 0 220.272 2.651 20 5 BFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000420275232 192198074 /nfs/dbraw/zinc/19/80/74/192198074.db2.gz GOPYPHLECNYTHI-MNOVXSKESA-N 1 0 249.314 2.524 20 5 BFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000420275229 192198767 /nfs/dbraw/zinc/19/87/67/192198767.db2.gz GOPYPHLECNYTHI-GHMZBOCLSA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCC2CC2)c1 ZINC000076767891 363540282 /nfs/dbraw/zinc/54/02/82/363540282.db2.gz DOZBCAABPIOBBZ-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089108355 356935752 /nfs/dbraw/zinc/93/57/52/356935752.db2.gz XOUFWFPAZVQRRB-WDEREUQCSA-N 1 0 249.314 2.524 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000050015563 358710878 /nfs/dbraw/zinc/71/08/78/358710878.db2.gz BPRRBKVFXINLPI-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1cc(CNCc2ccco2)cs1 ZINC000037472298 364052601 /nfs/dbraw/zinc/05/26/01/364052601.db2.gz ZIZMBOASHAQORE-UHFFFAOYSA-N 1 0 238.268 2.539 20 5 BFBDRO CC(C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472345 364053583 /nfs/dbraw/zinc/05/35/83/364053583.db2.gz BPYFBHREVVAGIQ-QMMMGPOBSA-N 1 0 228.317 2.790 20 5 BFBDRO CCC[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472319 364055824 /nfs/dbraw/zinc/05/58/24/364055824.db2.gz UZXLSONMZJTMKL-MRVPVSSYSA-N 1 0 228.317 2.935 20 5 BFBDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677205 367706105 /nfs/dbraw/zinc/70/61/05/367706105.db2.gz UCGYAFYINULUGW-JIMOISOXSA-N 1 0 246.310 2.970 20 5 BFBDRO CC(C)[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077897068 370493597 /nfs/dbraw/zinc/49/35/97/370493597.db2.gz VWAAFAISMXTUSI-LLVKDONJSA-N 1 0 236.315 2.977 20 5 BFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000284314754 371524447 /nfs/dbraw/zinc/52/44/47/371524447.db2.gz LMDYKPPHYXXXSA-LBPRGKRZSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc2nccc(NC3CCC3)c2c1 ZINC000601112802 371727490 /nfs/dbraw/zinc/72/74/90/371727490.db2.gz FRWFJCQGCHCUIS-UHFFFAOYSA-N 1 0 243.266 2.529 20 5 BFBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000133302863 372018578 /nfs/dbraw/zinc/01/85/78/372018578.db2.gz GNBUAFUZCINGBP-UHFFFAOYSA-N 1 0 234.299 2.888 20 5 BFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000134229783 372184219 /nfs/dbraw/zinc/18/42/19/372184219.db2.gz IDHAEPXSYXNOHP-SNVBAGLBSA-N 1 0 234.299 2.731 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000076771516 182931358 /nfs/dbraw/zinc/93/13/58/182931358.db2.gz PEZZZZXGAZNKLE-GFCCVEGCSA-N 1 0 232.283 2.793 20 5 BFBDRO CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000038132266 169289737 /nfs/dbraw/zinc/28/97/37/169289737.db2.gz LKDQGDHOBUTQDI-CYBMUJFWSA-N 1 0 248.326 2.916 20 5 BFBDRO CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525878 169277279 /nfs/dbraw/zinc/27/72/79/169277279.db2.gz IKAOZTKDOAJHJV-VIFPVBQESA-N 1 0 208.261 2.655 20 5 BFBDRO CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589035 169291674 /nfs/dbraw/zinc/29/16/74/169291674.db2.gz IWRYQQZPTSCSCZ-ZDUSSCGKSA-N 1 0 234.299 2.972 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC12CCC2 ZINC000336527609 384234889 /nfs/dbraw/zinc/23/48/89/384234889.db2.gz FGGLADKPTUBNEQ-UHFFFAOYSA-N 1 0 232.283 2.723 20 5 BFBDRO Cc1c(C[NH+]2C[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000362434190 384215079 /nfs/dbraw/zinc/21/50/79/384215079.db2.gz LWWLIPJVGGRHLY-QWRGUYRKSA-N 1 0 248.326 2.991 20 5 BFBDRO CCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072583653 384227087 /nfs/dbraw/zinc/22/70/87/384227087.db2.gz UFFAYVFNJACYKY-JTQLQIEISA-N 1 0 222.288 2.998 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000363385441 384470946 /nfs/dbraw/zinc/47/09/46/384470946.db2.gz ZBDLCXGYOILBSX-CYBMUJFWSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000363384882 384471783 /nfs/dbraw/zinc/47/17/83/384471783.db2.gz QTLZZNQGRRKQNX-AWEZNQCLSA-N 1 0 246.310 2.969 20 5 BFBDRO CC1(C)CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000395190209 384518508 /nfs/dbraw/zinc/51/85/08/384518508.db2.gz WUPLMYXLCGBIHE-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000013718156 384732340 /nfs/dbraw/zinc/73/23/40/384732340.db2.gz NYXMVHVLXNVASX-UHFFFAOYSA-N 1 0 222.288 2.731 20 5 BFBDRO C[C@@H]([NH2+]CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000020525922 384788541 /nfs/dbraw/zinc/78/85/41/384788541.db2.gz VGZWGTVYVCNESP-SECBINFHSA-N 1 0 220.272 2.655 20 5 BFBDRO CC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000125072617 384884426 /nfs/dbraw/zinc/88/44/26/384884426.db2.gz FIYQZXFTZDNDBL-NSHDSACASA-N 1 0 234.299 2.827 20 5 BFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000321767160 385622629 /nfs/dbraw/zinc/62/26/29/385622629.db2.gz DSVPNMLUFPWAQB-NRUUGDAUSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000129682343 386512888 /nfs/dbraw/zinc/51/28/88/386512888.db2.gz PFDBCRDIIHMMOR-JBLDHEPKSA-N 1 0 234.299 2.901 20 5 BFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000053435577 387020119 /nfs/dbraw/zinc/02/01/19/387020119.db2.gz LNJOMUYRKDTUJN-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CC1)CCC2 ZINC000192646004 387246161 /nfs/dbraw/zinc/24/61/61/387246161.db2.gz DHSGJPMWHYVRGG-AWEZNQCLSA-N 1 0 246.310 2.972 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153022308 388395475 /nfs/dbraw/zinc/39/54/75/388395475.db2.gz FZFCAXAQFJBPBS-RYUDHWBXSA-N 1 0 246.310 2.827 20 5 BFBDRO C[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000173257757 388416945 /nfs/dbraw/zinc/41/69/45/388416945.db2.gz KDTGINGTIJRIRB-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO CC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060880 388746497 /nfs/dbraw/zinc/74/64/97/388746497.db2.gz FABMGEBIOKPXHM-QWRGUYRKSA-N 1 0 236.315 2.914 20 5 BFBDRO CC(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449062707 388747314 /nfs/dbraw/zinc/74/73/14/388747314.db2.gz JXSVWQJMRQFOBN-LLVKDONJSA-N 1 0 236.315 2.771 20 5 BFBDRO CC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449455440 388750070 /nfs/dbraw/zinc/75/00/70/388750070.db2.gz LLSQYAAUNDEJER-PLNGDYQASA-N 1 0 234.299 2.959 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424182716 388694630 /nfs/dbraw/zinc/69/46/30/388694630.db2.gz HGFVAQQPVYZOFQ-LBPRGKRZSA-N 1 0 232.283 2.545 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3CCC2CC3)cc1 ZINC000371386694 388697049 /nfs/dbraw/zinc/69/70/49/388697049.db2.gz CYJXHNJKFWAFTE-UHFFFAOYSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426462228 388711242 /nfs/dbraw/zinc/71/12/42/388711242.db2.gz QKJVGZBADLQMMI-GXTWGEPZSA-N 1 0 246.310 2.969 20 5 BFBDRO CC1=C[C@@H](C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000430285556 388726580 /nfs/dbraw/zinc/72/65/80/388726580.db2.gz UHULJWSVIHSSJC-LLVKDONJSA-N 1 0 246.310 2.993 20 5 BFBDRO CC1=C[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000430272037 388727423 /nfs/dbraw/zinc/72/74/23/388727423.db2.gz ZKJJWGZVIFVSGR-NSHDSACASA-N 1 0 246.310 2.993 20 5 BFBDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849588 388826079 /nfs/dbraw/zinc/82/60/79/388826079.db2.gz BDSRWHIZCIWNKY-RKDXNWHRSA-N 1 0 237.303 2.626 20 5 BFBDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000336055586 134066308 /nfs/dbraw/zinc/06/63/08/134066308.db2.gz UMMGXHVLLXKZNN-NXEZZACHSA-N 1 0 220.272 2.578 20 5 BFBDRO C[C@@H](CC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000070101830 134908746 /nfs/dbraw/zinc/90/87/46/134908746.db2.gz PNIJZKSWYKUMML-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000342311255 135259043 /nfs/dbraw/zinc/25/90/43/135259043.db2.gz VXHMRNYTEIWUAJ-QWRGUYRKSA-N 1 0 238.262 2.575 20 5 BFBDRO CC(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368059 167008479 /nfs/dbraw/zinc/00/84/79/167008479.db2.gz MHAVYTPPKIBSKE-UHFFFAOYSA-N 1 0 242.706 2.994 20 5 BFBDRO CC(C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525907 167138541 /nfs/dbraw/zinc/13/85/41/167138541.db2.gz QQPJJOXGVNMMNK-SECBINFHSA-N 1 0 208.261 2.654 20 5 BFBDRO CC(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020306204 167382724 /nfs/dbraw/zinc/38/27/24/167382724.db2.gz AZBQFIVFQRAJKN-SNVBAGLBSA-N 1 0 222.288 2.729 20 5 BFBDRO CC(C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020306208 167384344 /nfs/dbraw/zinc/38/43/44/167384344.db2.gz SSIMAWTUFZFUAY-SNVBAGLBSA-N 1 0 222.288 2.729 20 5 BFBDRO CCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020040554 411224421 /nfs/dbraw/zinc/22/44/21/411224421.db2.gz BIEOYCYOBKATIF-JTQLQIEISA-N 1 0 222.288 2.873 20 5 BFBDRO CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000013449632 168184249 /nfs/dbraw/zinc/18/42/49/168184249.db2.gz ZUBDLZIJXZLHIZ-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000049531851 170126602 /nfs/dbraw/zinc/12/66/02/170126602.db2.gz GGCFIZYUMOIYIY-UHFFFAOYSA-N 1 0 246.266 2.964 20 5 BFBDRO CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000038132160 170163023 /nfs/dbraw/zinc/16/30/23/170163023.db2.gz MZXNEIZWZVCKOF-GFCCVEGCSA-N 1 0 234.299 2.525 20 5 BFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086119699 170896693 /nfs/dbraw/zinc/89/66/93/170896693.db2.gz PMDIUTBJWPBOFE-CQSZACIVSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000125072389 171011425 /nfs/dbraw/zinc/01/14/25/171011425.db2.gz FIYQZXFTZDNDBL-LLVKDONJSA-N 1 0 234.299 2.827 20 5 BFBDRO CC[C@@H]1CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000292320532 171022866 /nfs/dbraw/zinc/02/28/66/171022866.db2.gz FHJSGBUMRACIKQ-GFCCVEGCSA-N 1 0 234.299 2.622 20 5 BFBDRO CC[C@@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292487519 171024246 /nfs/dbraw/zinc/02/42/46/171024246.db2.gz SQTHHUWGWHAPQV-LLVKDONJSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070827911 176150674 /nfs/dbraw/zinc/15/06/74/176150674.db2.gz JUAAPYNUZLTWCL-PSASIEDQSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309051165 176236877 /nfs/dbraw/zinc/23/68/77/176236877.db2.gz PVWHUTYMSIMKNL-VXNVDRBHSA-N 1 0 226.301 2.544 20 5 BFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000177904042 177165657 /nfs/dbraw/zinc/16/56/57/177165657.db2.gz LFWSDDRKJXRVCB-WDEREUQCSA-N 1 0 234.299 2.825 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCF ZINC000126970441 324735737 /nfs/dbraw/zinc/73/57/37/324735737.db2.gz NEVDZYBALFXNFF-SNVBAGLBSA-N 1 0 240.278 2.913 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CC2)CC1 ZINC000543635089 325099499 /nfs/dbraw/zinc/09/94/99/325099499.db2.gz MIWLNBWRHNMCDP-UHFFFAOYSA-N 1 0 246.310 2.935 20 5 BFBDRO Cc1c(C[NH+]2[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000548096441 325428504 /nfs/dbraw/zinc/42/85/04/325428504.db2.gz XXVQOZFSFNHEDV-UWVGGRQHSA-N 1 0 234.299 2.886 20 5 BFBDRO CC(C)(C)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791051449 583383867 /nfs/dbraw/zinc/38/38/67/583383867.db2.gz DJMBICVVYAEGKS-UHFFFAOYSA-N 1 0 236.315 2.564 20 5 BFBDRO CC(C)(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000791052536 583384632 /nfs/dbraw/zinc/38/46/32/583384632.db2.gz OZNPPCJGWZDACP-GFCCVEGCSA-N 1 0 236.315 2.640 20 5 BFBDRO CC[C@@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901395216 584438342 /nfs/dbraw/zinc/43/83/42/584438342.db2.gz JYRUGDPQYAADGU-SECBINFHSA-N 1 0 247.254 2.660 20 5 BFBDRO Cc1c(C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000751559155 585232323 /nfs/dbraw/zinc/23/23/23/585232323.db2.gz PWMMNRHAUPEZCA-UHFFFAOYSA-N 1 0 222.288 2.743 20 5 BFBDRO C[C@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000783258985 585832632 /nfs/dbraw/zinc/83/26/32/585832632.db2.gz SMGZNWRMIYALBM-GWCFXTLKSA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000783258993 585832658 /nfs/dbraw/zinc/83/26/58/585832658.db2.gz SMGZNWRMIYALBM-ZWNOBZJWSA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507493 588553452 /nfs/dbraw/zinc/55/34/52/588553452.db2.gz FOLHKOYXBMLECQ-KOLCDFICSA-N 1 0 247.298 2.546 20 5 BFBDRO C[C@@H]([NH2+]C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045754 589859985 /nfs/dbraw/zinc/85/99/85/589859985.db2.gz BBDHPKZNSBLPFO-MRVPVSSYSA-N 1 0 238.262 2.937 20 5 BFBDRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827701 590429330 /nfs/dbraw/zinc/42/93/30/590429330.db2.gz KJIXIRPILBEPEG-GMTAPVOTSA-N 1 0 234.299 2.901 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC000880241681 590973885 /nfs/dbraw/zinc/97/38/85/590973885.db2.gz GPMHLTLGHXVPMM-UHFFFAOYSA-N 1 0 238.262 2.529 20 5 BFBDRO C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886019583 592132942 /nfs/dbraw/zinc/13/29/42/592132942.db2.gz XFCPDTZIENLUCF-MNOVXSKESA-N 1 0 249.314 2.610 20 5 BFBDRO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886070163 592143431 /nfs/dbraw/zinc/14/34/31/592143431.db2.gz PGOOIYBUOZTSGO-UHFFFAOYSA-N 1 0 249.314 2.753 20 5 BFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886143302 592162717 /nfs/dbraw/zinc/16/27/17/592162717.db2.gz ZDHBUNQPVFCLFP-CMPLNLGQSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886143304 592162925 /nfs/dbraw/zinc/16/29/25/592162925.db2.gz ZDHBUNQPVFCLFP-PWSUYJOCSA-N 1 0 249.314 2.610 20 5 BFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC12CCCC2 ZINC000886267750 592191101 /nfs/dbraw/zinc/19/11/01/592191101.db2.gz UOPMZBIXEQCDIG-UHFFFAOYSA-N 1 0 247.298 2.508 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886333012 592210954 /nfs/dbraw/zinc/21/09/54/592210954.db2.gz BNHQRIDCXQDEPP-GARJFASQSA-N 1 0 232.283 2.608 20 5 BFBDRO C[N@H+](CCCF)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887142482 592459038 /nfs/dbraw/zinc/45/90/38/592459038.db2.gz LQYPGIVAHGPTRF-UHFFFAOYSA-N 1 0 244.241 2.525 20 5 BFBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089108349 636375348 /nfs/dbraw/zinc/37/53/48/636375348.db2.gz VYMLIZBUTRWJHU-ZWNOBZJWSA-N 1 0 249.314 2.524 20 5 BFBDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930456923 639758985 /nfs/dbraw/zinc/75/89/85/639758985.db2.gz JVEXYZDRYOWRLG-OCCSQVGLSA-N 1 0 248.326 2.736 20 5 BFBDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930763329 639904003 /nfs/dbraw/zinc/90/40/03/639904003.db2.gz NEVCHKUBDREGIS-CYBMUJFWSA-N 1 0 248.326 2.736 20 5 BFBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932274508 640470568 /nfs/dbraw/zinc/47/05/68/640470568.db2.gz IENITMZVQVMVOR-GXTWGEPZSA-N 1 0 248.326 2.531 20 5 BFBDRO CC(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187610466 641717000 /nfs/dbraw/zinc/71/70/00/641717000.db2.gz RJCPFSUNKNEJNG-UHFFFAOYSA-N 1 0 242.706 2.994 20 5 BFBDRO CCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000195010447 642367722 /nfs/dbraw/zinc/36/77/22/642367722.db2.gz FZVUJKUUTBZFKL-UHFFFAOYSA-N 1 0 226.251 2.576 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774363 644727438 /nfs/dbraw/zinc/72/74/38/644727438.db2.gz IPJFSBXAIVKBIW-SECBINFHSA-N 1 0 238.262 2.718 20 5 BFBDRO Cc1ccc([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000929702539 646254959 /nfs/dbraw/zinc/25/49/59/646254959.db2.gz HGWZOVNMXPNFFR-CQSZACIVSA-N 1 0 248.326 2.799 20 5 BFBDRO Cc1c(C[NH2+]CC[C@H](C)F)cccc1[N+](=O)[O-] ZINC000702629126 712056971 /nfs/dbraw/zinc/05/69/71/712056971.db2.gz FODDDITWEZBLNN-VIFPVBQESA-N 1 0 240.278 2.741 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000711677316 712315866 /nfs/dbraw/zinc/31/58/66/712315866.db2.gz AECJCVMJBWWBER-CYBMUJFWSA-N 1 0 246.310 2.693 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2C=CCC2)cc1 ZINC000711677318 712316062 /nfs/dbraw/zinc/31/60/62/712316062.db2.gz AECJCVMJBWWBER-ZDUSSCGKSA-N 1 0 246.310 2.693 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000711775898 712328124 /nfs/dbraw/zinc/32/81/24/712328124.db2.gz BQOGBQJOEQRPGD-LLVKDONJSA-N 1 0 232.283 2.651 20 5 BFBDRO C=C/C=C\CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000713495616 712462467 /nfs/dbraw/zinc/46/24/67/712462467.db2.gz KRPMEQZMTLWIQZ-ARJAWSKDSA-N 1 0 238.312 2.878 20 5 BFBDRO C[C@H]1CC(OCC[N+](C)(C)C)C[C@H](C)C1 ZINC001224772006 964935446 /nfs/dbraw/zinc/93/54/46/964935446.db2.gz VOORBECIPCFCEX-VXGBXAGGSA-N 1 0 214.373 2.534 20 5 BFBDRO C[N+](C)(C)CCO[C@H]1CCc2cc(F)ccc21 ZINC001224775844 964938840 /nfs/dbraw/zinc/93/88/40/964938840.db2.gz PWOUCRBYTJGMCU-AWEZNQCLSA-N 1 0 238.326 2.536 20 5 BFBDRO CC(C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208750 975077106 /nfs/dbraw/zinc/07/71/06/975077106.db2.gz BNGFINFHGHANGZ-LLVKDONJSA-N 1 0 236.315 2.771 20 5 BFBDRO Cc1c(F)cccc1O[C@H](C)C[N+](C)(C)C ZINC001226772800 975072940 /nfs/dbraw/zinc/07/29/40/975072940.db2.gz BSYWIEWJPCUBEX-SNVBAGLBSA-N 1 0 226.315 2.608 20 5 BFBDRO Cc1ccc([C@H](C)OCCC[N+](C)(C)C)cn1 ZINC001224624584 973807321 /nfs/dbraw/zinc/80/73/21/973807321.db2.gz XRRMFNKMGKDJFB-ZDUSSCGKSA-N 1 0 237.367 2.564 20 5 BFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cnc1Cl ZINC001225824597 962855871 /nfs/dbraw/zinc/85/58/71/962855871.db2.gz JKGHIZPJIIJEMB-JTQLQIEISA-N 1 0 243.758 2.517 20 5 BFBDRO C[C@@H]1CCC[C@H](OCCC[N+](C)(C)C)[C@H]1C ZINC001224623455 964813201 /nfs/dbraw/zinc/81/32/01/964813201.db2.gz NNJQGJGAFLPMRL-RDBSUJKOSA-N 1 0 228.400 2.924 20 5 BFBDRO CC[C@@H](C)C[C@H](CC)OCC[N+](C)(C)C ZINC001224772753 964935528 /nfs/dbraw/zinc/93/55/28/964935528.db2.gz CENINFRQAUDVKM-OLZOCXBDSA-N 1 0 216.389 2.924 20 5 BFBDRO C[C@@H]1CC[C@H](OCC[N+](C)(C)C)C[C@@H]1C ZINC001224774889 964937417 /nfs/dbraw/zinc/93/74/17/964937417.db2.gz HAEZAIPCWQZRSC-AGIUHOORSA-N 1 0 214.373 2.534 20 5 BFBDRO CCC[C@@H](OCC[N+](C)(C)C)C(C)C ZINC001224775090 964938504 /nfs/dbraw/zinc/93/85/04/964938504.db2.gz IJOJEMCXCRVKEY-GFCCVEGCSA-N 1 0 202.362 2.534 20 5 BFBDRO Cc1cccc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001204673562 967125663 /nfs/dbraw/zinc/12/56/63/967125663.db2.gz PFKJZBKZZBZCRN-CYBMUJFWSA-N 1 0 222.352 2.606 20 5 BFBDRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976298 969296285 /nfs/dbraw/zinc/29/62/85/969296285.db2.gz CJRRARSJBCXRLQ-XQQFMLRXSA-N 1 0 242.363 2.846 20 5 BFBDRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976296 969296323 /nfs/dbraw/zinc/29/63/23/969296323.db2.gz CJRRARSJBCXRLQ-AVGNSLFASA-N 1 0 242.363 2.846 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC001168955783 969305394 /nfs/dbraw/zinc/30/53/94/969305394.db2.gz CGOSXZBCGZZBRM-YPMHNXCESA-N 1 0 240.347 2.744 20 5 BFBDRO CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168962391 969311770 /nfs/dbraw/zinc/31/17/70/969311770.db2.gz MFYNHCNKTKGHDZ-RYUDHWBXSA-N 1 0 240.347 2.602 20 5 BFBDRO CCCC(CCC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975832 969326926 /nfs/dbraw/zinc/32/69/26/969326926.db2.gz XLRNHMHRKKNDHA-WCQYABFASA-N 1 0 242.363 2.990 20 5 BFBDRO C[C@@H]1CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006935 969328726 /nfs/dbraw/zinc/32/87/26/969328726.db2.gz KJKDOZAUTZCOAO-UPJWGTAASA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007166 969330085 /nfs/dbraw/zinc/33/00/85/969330085.db2.gz LSAZQSGURHDNPA-RNJOBUHISA-N 1 0 240.347 2.695 20 5 BFBDRO CCC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013043 969339807 /nfs/dbraw/zinc/33/98/07/969339807.db2.gz SZGXMSIMTZOBMW-CHWSQXEVSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990197 969344178 /nfs/dbraw/zinc/34/41/78/969344178.db2.gz YFELKKKOZVLYOS-MROQNXINSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990195 969345761 /nfs/dbraw/zinc/34/57/61/969345761.db2.gz YFELKKKOZVLYOS-FDYHWXHSSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990202 969345933 /nfs/dbraw/zinc/34/59/33/969345933.db2.gz YFELKKKOZVLYOS-ZDEQEGDKSA-N 1 0 240.347 2.600 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCCCCCC2)C1 ZINC001169037571 969355102 /nfs/dbraw/zinc/35/51/02/969355102.db2.gz SPFJFJJEQBFJDK-STQMWFEESA-N 1 0 240.347 2.698 20 5 BFBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044567 969360772 /nfs/dbraw/zinc/36/07/72/969360772.db2.gz IKDDBXDZYDYDCZ-UPJWGTAASA-N 1 0 240.347 2.552 20 5 BFBDRO CC(C)[N@H+](CC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026402 969366065 /nfs/dbraw/zinc/36/60/65/969366065.db2.gz LRUSAKSDODPAFK-STQMWFEESA-N 1 0 240.347 2.552 20 5 BFBDRO C[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254601195 969742789 /nfs/dbraw/zinc/74/27/89/969742789.db2.gz VPPVEZQBAKWCNQ-ZDUSSCGKSA-N 1 0 248.326 2.792 20 5 BFBDRO CC[C@H](C)[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594327 969745281 /nfs/dbraw/zinc/74/52/81/969745281.db2.gz PQOZWGSHVPOOEI-IINYFYTJSA-N 1 0 248.326 2.792 20 5 BFBDRO CC[C@@H](C)[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594329 969746131 /nfs/dbraw/zinc/74/61/31/969746131.db2.gz PQOZWGSHVPOOEI-YGRLFVJLSA-N 1 0 248.326 2.792 20 5 BFBDRO Cc1cc(Nc2cccc([N+](=O)[O-])c2F)cc[nH+]1 ZINC001210378890 969880736 /nfs/dbraw/zinc/88/07/36/969880736.db2.gz QCERGOWUIWMQOS-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO Cc1[nH+]cn(C)c1Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001213663650 970376274 /nfs/dbraw/zinc/37/62/74/970376274.db2.gz QVTKCULUNUJDOE-UHFFFAOYSA-N 1 0 246.270 2.689 20 5 BFBDRO Cc1ccc(Nc2cc[nH+]cc2C)c([N+](=O)[O-])c1 ZINC001214165519 970443059 /nfs/dbraw/zinc/44/30/59/970443059.db2.gz WEWCORQZKZXCAY-UHFFFAOYSA-N 1 0 243.266 2.772 20 5 BFBDRO C=Cc1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001223151699 972857838 /nfs/dbraw/zinc/85/78/38/972857838.db2.gz PBOOHNVIBQWGCS-ZDUSSCGKSA-N 1 0 234.363 2.941 20 5 BFBDRO C[C@@H]1CCC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224621218 973802053 /nfs/dbraw/zinc/80/20/53/973802053.db2.gz NSBDSUQEEYPUJO-OLZOCXBDSA-N 1 0 214.373 2.678 20 5 BFBDRO C[C@@H](OCCC[N+](C)(C)C)C1CCCC1 ZINC001224621692 973802685 /nfs/dbraw/zinc/80/26/85/973802685.db2.gz ZLPLLHMNLVJFOS-GFCCVEGCSA-N 1 0 214.373 2.678 20 5 BFBDRO C[N+](C)(C)CCCO[C@@H]1CCc2ccccc2C1 ZINC001224623441 973804261 /nfs/dbraw/zinc/80/42/61/973804261.db2.gz NIHZDJRZKYTOMM-MRXNPFEDSA-N 1 0 248.390 2.657 20 5 BFBDRO C[N+](C)(C)CCCO[C@H](c1cccnc1)C1CC1 ZINC001224623657 973805412 /nfs/dbraw/zinc/80/54/12/973805412.db2.gz PEKAVAHKFGGTHY-HNNXBMFYSA-N 1 0 249.378 2.646 20 5 BFBDRO C[N+](C)(C)CCCO[C@H]1CCc2ccccc2C1 ZINC001224623439 973805573 /nfs/dbraw/zinc/80/55/73/973805573.db2.gz NIHZDJRZKYTOMM-INIZCTEOSA-N 1 0 248.390 2.657 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OCC1CC(C)(C)C1 ZINC001224768593 973929633 /nfs/dbraw/zinc/92/96/33/973929633.db2.gz DSZBNYJACKIACR-LLVKDONJSA-N 1 0 214.373 2.534 20 5 BFBDRO Cc1cc(C)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225246064 974301880 /nfs/dbraw/zinc/30/18/80/974301880.db2.gz YHFSIOYNWPAQQN-ZDUSSCGKSA-N 1 0 222.352 2.777 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cnccc21 ZINC001225296632 974374125 /nfs/dbraw/zinc/37/41/25/974374125.db2.gz ONWMZOVYAXEPBN-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1Cl ZINC001225886945 974717226 /nfs/dbraw/zinc/71/72/26/974717226.db2.gz OJZANNBTYUDLAQ-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]1C ZINC001173211559 975078698 /nfs/dbraw/zinc/07/86/98/975078698.db2.gz SVJNHNHNDSLEAS-BREBYQMCSA-N 1 0 234.299 2.524 20 5 BFBDRO Cc1nc(Cl)ccc1O[C@H](C)C[N+](C)(C)C ZINC001228705247 976450124 /nfs/dbraw/zinc/45/01/24/976450124.db2.gz UFFCGMQGKMFLAC-SECBINFHSA-N 1 0 243.758 2.517 20 5 BFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ncc1Cl ZINC001228742867 976475431 /nfs/dbraw/zinc/47/54/31/976475431.db2.gz FNQJCASJKIHSHA-SNVBAGLBSA-N 1 0 243.758 2.517 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1ccn2C ZINC001229047500 976675004 /nfs/dbraw/zinc/67/50/04/976675004.db2.gz QDOJGHOSYCHJNV-LBPRGKRZSA-N 1 0 247.362 2.652 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(ccn2C)c1 ZINC001229115248 976749032 /nfs/dbraw/zinc/74/90/32/976749032.db2.gz OPUFXKYUXFYIQD-GFCCVEGCSA-N 1 0 247.362 2.652 20 5 BFBDRO CCc1cc(Nc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001174477008 976797884 /nfs/dbraw/zinc/79/78/84/976797884.db2.gz DXGDGKRMMOHBMZ-UHFFFAOYSA-N 1 0 243.266 2.718 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2ccccc2[nH]1 ZINC001230744359 977322395 /nfs/dbraw/zinc/32/23/95/977322395.db2.gz KXWKXVMRWAGRFH-NSHDSACASA-N 1 0 233.335 2.641 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)C ZINC001198970038 982877805 /nfs/dbraw/zinc/87/78/05/982877805.db2.gz UBWBZXYBFANCPL-UHFFFAOYSA-N 1 0 236.315 2.957 20 5 BFBDRO CC(C)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001119692829 989342060 /nfs/dbraw/zinc/34/20/60/989342060.db2.gz PDIDZKKAFOXKFW-ZDUSSCGKSA-N 1 0 236.315 2.640 20 5 BFBDRO Cc1c(C[N@H+]2C[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293429249 398194285 /nfs/dbraw/zinc/19/42/85/398194285.db2.gz NPKDQTPOZYSJRG-MWLCHTKSSA-N 1 0 234.299 2.743 20 5 BFBDRO CCC1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000453598807 398203263 /nfs/dbraw/zinc/20/32/63/398203263.db2.gz BDDABWBSDPPITB-ALCCZGGFSA-N 1 0 246.310 2.950 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C=CCCC2)c1 ZINC000151160045 398208859 /nfs/dbraw/zinc/20/88/59/398208859.db2.gz AGUPZDZDYOEAMF-LBPRGKRZSA-N 1 0 232.283 2.793 20 5 BFBDRO Cc1c([C@H](C)[NH2+]CCCF)cccc1[N+](=O)[O-] ZINC000126851580 342737657 /nfs/dbraw/zinc/73/76/57/342737657.db2.gz SGBLWJGPBCCHAI-JTQLQIEISA-N 1 0 240.278 2.913 20 5 BFBDRO CCC(CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677540 168388284 /nfs/dbraw/zinc/38/82/84/168388284.db2.gz MZIXEOHXVWRVTD-UHFFFAOYSA-N 1 0 236.315 2.916 20 5 BFBDRO CCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000294834623 398309447 /nfs/dbraw/zinc/30/94/47/398309447.db2.gz QHPPPFCRLYGHGE-UHFFFAOYSA-N 1 0 234.299 2.935 20 5 BFBDRO CC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000126258465 398318441 /nfs/dbraw/zinc/31/84/41/398318441.db2.gz XGVTXEPBMVSOGI-SOFGYWHQSA-N 1 0 220.272 2.560 20 5 BFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489415648 398311984 /nfs/dbraw/zinc/31/19/84/398311984.db2.gz STRIBZDYCUPXSJ-LBPRGKRZSA-N 1 0 234.299 2.825 20 5 BFBDRO CC[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015558 398332284 /nfs/dbraw/zinc/33/22/84/398332284.db2.gz AYYFEDFHLVBAHQ-SNVBAGLBSA-N 1 0 222.288 2.731 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H]2F)c1 ZINC000339586952 398332720 /nfs/dbraw/zinc/33/27/20/398332720.db2.gz OALUYCIJRLHORD-RYUDHWBXSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000339585662 398332730 /nfs/dbraw/zinc/33/27/30/398332730.db2.gz YHVNRBQEXHGNOI-NEPJUHHUSA-N 1 0 238.262 2.575 20 5 BFBDRO CC(C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000158706178 398333706 /nfs/dbraw/zinc/33/37/06/398333706.db2.gz LNLSAJJLIITZLE-SOFGYWHQSA-N 1 0 234.299 2.948 20 5 BFBDRO CC1(C)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000284251742 187241352 /nfs/dbraw/zinc/24/13/52/187241352.db2.gz IMFORMMGXZJFSR-GFCCVEGCSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035012447 343282870 /nfs/dbraw/zinc/28/28/70/343282870.db2.gz ZFGGDCSEJALFIS-JTQLQIEISA-N 1 0 234.299 2.791 20 5 BFBDRO C[C@H]1C[C@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000335818306 537961662 /nfs/dbraw/zinc/96/16/62/537961662.db2.gz VIVBYNGIXVECIN-UWVGGRQHSA-N 1 0 220.272 2.578 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CF)CCC2)cc1 ZINC000580325285 347092445 /nfs/dbraw/zinc/09/24/45/347092445.db2.gz TUDIUOTTXKXVMQ-UHFFFAOYSA-N 1 0 238.262 2.577 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1CC1 ZINC000594498874 348063311 /nfs/dbraw/zinc/06/33/11/348063311.db2.gz MIOPXERNFBOSDM-ZDUSSCGKSA-N 1 0 246.310 2.972 20 5 BFBDRO CC1(C)C[C@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594995937 348167972 /nfs/dbraw/zinc/16/79/72/348167972.db2.gz MDYZBDBYCJQKGG-ZDUSSCGKSA-N 1 0 234.299 2.873 20 5 BFBDRO CCC[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296316 348215959 /nfs/dbraw/zinc/21/59/59/348215959.db2.gz AFCOASSVDXUZMQ-UHFFFAOYSA-N 1 0 240.278 2.966 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810491 348349840 /nfs/dbraw/zinc/34/98/40/348349840.db2.gz YDYJVGVZCGVTNY-IJLUTSLNSA-N 1 0 246.310 2.998 20 5 BFBDRO Cc1ccc(C[NH2+]CC2CC=CC2)cc1[N+](=O)[O-] ZINC000598991737 349073094 /nfs/dbraw/zinc/07/30/94/349073094.db2.gz DXXXGEIFBKTJPB-UHFFFAOYSA-N 1 0 246.310 2.959 20 5 BFBDRO C/C=C\C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080631 349096167 /nfs/dbraw/zinc/09/61/67/349096167.db2.gz ICKLAKYJKJQRAR-DLGQBQFBSA-N 1 0 232.283 2.748 20 5 BFBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000324191414 350289566 /nfs/dbraw/zinc/28/95/66/350289566.db2.gz RGFLHLJFDASWEL-JTQLQIEISA-N 1 0 240.328 2.935 20 5 BFBDRO CC(C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637818 351062883 /nfs/dbraw/zinc/06/28/83/351062883.db2.gz RDBUYSVPZYGWCA-UHFFFAOYSA-N 1 0 222.288 2.683 20 5 BFBDRO C[C@@H]([NH2+]CCCF)c1ccc([N+](=O)[O-])cc1 ZINC000127006036 324609326 /nfs/dbraw/zinc/60/93/26/324609326.db2.gz ZHOQXZQLCIQAQJ-SECBINFHSA-N 1 0 226.251 2.605 20 5 BFBDRO CC1CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582311503 357051680 /nfs/dbraw/zinc/05/16/80/357051680.db2.gz OLKXXAYVKLILSC-SRHKJQAYSA-N 1 0 246.310 2.970 20 5 BFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CC2)c1 ZINC000035368062 357196032 /nfs/dbraw/zinc/19/60/32/357196032.db2.gz GBFKRPPZQWKTLL-UHFFFAOYSA-N 1 0 240.690 2.748 20 5 BFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610133346 357221323 /nfs/dbraw/zinc/22/13/23/357221323.db2.gz HUZITALRSYWEQA-RKDXNWHRSA-N 1 0 240.328 2.887 20 5 BFBDRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582615684 357353622 /nfs/dbraw/zinc/35/36/22/357353622.db2.gz AZJFCKQTVQOBJB-YPMHNXCESA-N 1 0 246.310 2.970 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000048348780 358629059 /nfs/dbraw/zinc/62/90/59/358629059.db2.gz IKEBVCBLEQBYGI-UHFFFAOYSA-N 1 0 248.307 2.946 20 5 BFBDRO C[C@H]1C[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000580469161 359572705 /nfs/dbraw/zinc/57/27/05/359572705.db2.gz NIFKLVFEUYNAIG-WCQYABFASA-N 1 0 248.326 2.725 20 5 BFBDRO C[C@@H]([NH2+]C1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000121974711 359623993 /nfs/dbraw/zinc/62/39/93/359623993.db2.gz KYCNDCBFRJHELV-SNVBAGLBSA-N 1 0 232.283 2.964 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000385896140 360439936 /nfs/dbraw/zinc/43/99/36/360439936.db2.gz DYTBPROFGHRSOZ-NTZNESFSSA-N 1 0 248.326 2.771 20 5 BFBDRO CC[C@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000036721042 361388835 /nfs/dbraw/zinc/38/88/35/361388835.db2.gz LRSTUCOYOLDCJB-LBPRGKRZSA-N 1 0 220.272 2.798 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC1(C)C ZINC000349931445 370709767 /nfs/dbraw/zinc/70/97/67/370709767.db2.gz HRVWNKLFLOKRTF-GFCCVEGCSA-N 1 0 234.299 2.791 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000349975007 370841958 /nfs/dbraw/zinc/84/19/58/370841958.db2.gz NDSHEWQMTYWTSU-TXEJJXNPSA-N 1 0 248.326 2.991 20 5 BFBDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677204 367706294 /nfs/dbraw/zinc/70/62/94/367706294.db2.gz UCGYAFYINULUGW-ICCXJUOJSA-N 1 0 246.310 2.970 20 5 BFBDRO C/C=C/C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794787 370262144 /nfs/dbraw/zinc/26/21/44/370262144.db2.gz PXFFDCKIIYZHNA-HMDXOVGESA-N 1 0 220.272 2.822 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000310875824 370369819 /nfs/dbraw/zinc/36/98/19/370369819.db2.gz SSFQHDGMYRXSGO-KWCYVHTRSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020131375 371233660 /nfs/dbraw/zinc/23/36/60/371233660.db2.gz VQBDYYSSAIJCPG-UHFFFAOYSA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@@H]([NH2+]C1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000125027547 371277609 /nfs/dbraw/zinc/27/76/09/371277609.db2.gz PWEXXSIYSLZVGW-SNVBAGLBSA-N 1 0 232.283 2.964 20 5 BFBDRO CCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131350896 371593576 /nfs/dbraw/zinc/59/35/76/371593576.db2.gz MTTHQLOSDHGWST-UHFFFAOYSA-N 1 0 234.299 2.753 20 5 BFBDRO CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000226378668 371656799 /nfs/dbraw/zinc/65/67/99/371656799.db2.gz JATGRXLHAIYKGE-UHFFFAOYSA-N 1 0 234.299 2.527 20 5 BFBDRO CC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000041066802 374102208 /nfs/dbraw/zinc/10/22/08/374102208.db2.gz OIHXTLFYSQMXGH-UHFFFAOYSA-N 1 0 236.315 2.773 20 5 BFBDRO CCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994634 168869645 /nfs/dbraw/zinc/86/96/45/168869645.db2.gz KXUPMNCNFSODOD-UHFFFAOYSA-N 1 0 222.288 2.793 20 5 BFBDRO CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292185595 169254065 /nfs/dbraw/zinc/25/40/65/169254065.db2.gz QWXMRQIIPWMQGO-UHFFFAOYSA-N 1 0 222.288 2.830 20 5 BFBDRO CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829123 169265225 /nfs/dbraw/zinc/26/52/25/169265225.db2.gz WJFWTOLUYGDKBJ-UHFFFAOYSA-N 1 0 228.679 2.748 20 5 BFBDRO CC1(C)C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000226254810 134361852 /nfs/dbraw/zinc/36/18/52/134361852.db2.gz CMUKTDODMTZSRS-VIFPVBQESA-N 1 0 240.328 2.792 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310235279 384059896 /nfs/dbraw/zinc/05/98/96/384059896.db2.gz ADAVYUHAOPNOSW-SECBINFHSA-N 1 0 240.278 2.964 20 5 BFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000310259330 384081962 /nfs/dbraw/zinc/08/19/62/384081962.db2.gz HJFFDVHDJSKKGR-QMMMGPOBSA-N 1 0 238.262 2.622 20 5 BFBDRO CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166178154 384185832 /nfs/dbraw/zinc/18/58/32/384185832.db2.gz ZOQGVNZWDMBOQL-SNVBAGLBSA-N 1 0 222.288 2.964 20 5 BFBDRO C[C@H]([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000285734309 384206241 /nfs/dbraw/zinc/20/62/41/384206241.db2.gz UPWGXGGUJWPQIS-JTQLQIEISA-N 1 0 240.278 2.995 20 5 BFBDRO C[C@H]([NH2+]CCCF)c1ccccc1[N+](=O)[O-] ZINC000127009935 384240493 /nfs/dbraw/zinc/24/04/93/384240493.db2.gz HFQIIVMOUAPYOC-VIFPVBQESA-N 1 0 226.251 2.605 20 5 BFBDRO CC(C)=CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000178772275 384530553 /nfs/dbraw/zinc/53/05/53/384530553.db2.gz IYSBSBGCBILFTJ-UHFFFAOYSA-N 1 0 234.299 2.693 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC000515122262 384669304 /nfs/dbraw/zinc/66/93/04/384669304.db2.gz GWOKPAYZHABQPA-UHFFFAOYSA-N 1 0 232.283 2.722 20 5 BFBDRO CC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000179393865 384879120 /nfs/dbraw/zinc/87/91/20/384879120.db2.gz NGUOFGMQVDZFRM-VIFPVBQESA-N 1 0 238.287 2.664 20 5 BFBDRO CCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000226784122 384882135 /nfs/dbraw/zinc/88/21/35/384882135.db2.gz GZXSBISOTSDNBJ-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO Cc1c(C[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000263772596 385138684 /nfs/dbraw/zinc/13/86/84/385138684.db2.gz WTNVFOSIKDNBKY-SNVBAGLBSA-N 1 0 234.299 2.745 20 5 BFBDRO CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551772 385140819 /nfs/dbraw/zinc/14/08/19/385140819.db2.gz VFRQTGNSYAAAKM-GFCCVEGCSA-N 1 0 234.299 2.794 20 5 BFBDRO CC[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000336906018 385181171 /nfs/dbraw/zinc/18/11/71/385181171.db2.gz ZZLYTXSUHHLKHA-BPOWMSRESA-N 1 0 234.299 2.996 20 5 BFBDRO CC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000294966848 385340255 /nfs/dbraw/zinc/34/02/55/385340255.db2.gz FJUHEBTUTKQNDC-ONEGZZNKSA-N 1 0 226.301 2.712 20 5 BFBDRO CC(C)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000293204982 385739167 /nfs/dbraw/zinc/73/91/67/385739167.db2.gz XWYSCKCINKKVBK-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000322008237 385910498 /nfs/dbraw/zinc/91/04/98/385910498.db2.gz IDTVLUZHKVZFPC-CKYFFXLPSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957887 386759957 /nfs/dbraw/zinc/75/99/57/386759957.db2.gz YVTFAPQXMAMHDT-QPUJVOFHSA-N 1 0 249.314 2.626 20 5 BFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC1 ZINC000344858551 386803447 /nfs/dbraw/zinc/80/34/47/386803447.db2.gz HCGDMPLBPMIRRF-XFFZJAGNSA-N 1 0 246.310 2.998 20 5 BFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000053435554 387020486 /nfs/dbraw/zinc/02/04/86/387020486.db2.gz JNOLAZPJYFUXEI-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000152625358 387343665 /nfs/dbraw/zinc/34/36/65/387343665.db2.gz PNUAWPYJJGIXCA-STQMWFEESA-N 1 0 246.310 2.827 20 5 BFBDRO CCC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677555 387438233 /nfs/dbraw/zinc/43/82/33/387438233.db2.gz PLWZYMRRGIPVCY-NSHDSACASA-N 1 0 236.315 2.916 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCC1)CC2 ZINC000088605792 387479929 /nfs/dbraw/zinc/47/99/29/387479929.db2.gz KIYRAHUVAQTTFM-UHFFFAOYSA-N 1 0 246.310 2.753 20 5 BFBDRO Cc1c(C[N@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000548096439 388097304 /nfs/dbraw/zinc/09/73/04/388097304.db2.gz XXVQOZFSFNHEDV-AOOOYVTPSA-N 1 0 234.299 2.886 20 5 BFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)C1 ZINC000549808563 388405322 /nfs/dbraw/zinc/40/53/22/388405322.db2.gz REGYLPAYQZEHKP-WDZFZDKYSA-N 1 0 246.310 2.950 20 5 BFBDRO CC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174830749 388443377 /nfs/dbraw/zinc/44/33/77/388443377.db2.gz NIOAIIVOGOSKFY-UHFFFAOYSA-N 1 0 228.679 2.700 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000076770879 388443931 /nfs/dbraw/zinc/44/39/31/388443931.db2.gz WBFXPBXMPILCQJ-GFCCVEGCSA-N 1 0 232.283 2.793 20 5 BFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000112983632 388671388 /nfs/dbraw/zinc/67/13/88/388671388.db2.gz JOJALHGWNXIZHB-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000418101417 388675584 /nfs/dbraw/zinc/67/55/84/388675584.db2.gz SLFFBLPVSWNJJX-LBPRGKRZSA-N 1 0 246.310 2.793 20 5 BFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078339523 388680979 /nfs/dbraw/zinc/68/09/79/388680979.db2.gz YEPTYRHYNDJXBS-UHFFFAOYSA-N 1 0 234.299 2.968 20 5 BFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000153758762 388630696 /nfs/dbraw/zinc/63/06/96/388630696.db2.gz MZYQIXHUEADMCS-GQCTYLIASA-N 1 0 232.283 2.702 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC1(C)C ZINC000449091151 388746979 /nfs/dbraw/zinc/74/69/79/388746979.db2.gz IJVOJTZBPGKFTC-ZWNOBZJWSA-N 1 0 248.326 2.914 20 5 BFBDRO CC1(F)CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449369481 388748012 /nfs/dbraw/zinc/74/80/12/388748012.db2.gz CPVGDIGBOVTCQI-UHFFFAOYSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC12CC2 ZINC000424181557 388694703 /nfs/dbraw/zinc/69/47/03/388694703.db2.gz CGCDOYMRIKKTDC-MASHWEEQSA-N 1 0 244.294 2.750 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000527238708 388696802 /nfs/dbraw/zinc/69/68/02/388696802.db2.gz QBQDUENFBVTBCF-QWRGUYRKSA-N 1 0 234.299 2.886 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000371309747 388697306 /nfs/dbraw/zinc/69/73/06/388697306.db2.gz ZOFXJTRERMMIQC-ZDUSSCGKSA-N 1 0 246.310 2.827 20 5 BFBDRO Cc1ccc(C[NH+]2[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000526989556 388697680 /nfs/dbraw/zinc/69/76/80/388697680.db2.gz PYUTVPGSEZTPGK-GHMZBOCLSA-N 1 0 234.299 2.886 20 5 BFBDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000430272036 388726980 /nfs/dbraw/zinc/72/69/80/388726980.db2.gz ZKJJWGZVIFVSGR-LLVKDONJSA-N 1 0 246.310 2.993 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCF)CCC2 ZINC000281122850 388792271 /nfs/dbraw/zinc/79/22/71/388792271.db2.gz SJJZXNSCWRXNTL-LBPRGKRZSA-N 1 0 238.262 2.531 20 5 BFBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000226256841 134362607 /nfs/dbraw/zinc/36/26/07/134362607.db2.gz SREXRXRXYNLSKQ-LLVKDONJSA-N 1 0 234.299 2.731 20 5 BFBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000159182481 134765811 /nfs/dbraw/zinc/76/58/11/134765811.db2.gz UGRRDRQXVFMZBR-CABZTGNLSA-N 1 0 234.299 2.649 20 5 BFBDRO Cc1c(C[NH2+]C2CC(C)C2)cccc1[N+](=O)[O-] ZINC000163695690 135051591 /nfs/dbraw/zinc/05/15/91/135051591.db2.gz KHSXUSHHUDWOOG-UHFFFAOYSA-N 1 0 234.299 2.791 20 5 BFBDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000348077352 136034616 /nfs/dbraw/zinc/03/46/16/136034616.db2.gz NSJLZRCHZXKOES-DGCLKSJQSA-N 1 0 234.299 2.873 20 5 BFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000111296437 397907386 /nfs/dbraw/zinc/90/73/86/397907386.db2.gz NPFJJWYCDJUSOA-UHFFFAOYSA-N 1 0 240.328 2.888 20 5 BFBDRO CC(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000078638437 167000651 /nfs/dbraw/zinc/00/06/51/167000651.db2.gz YZWRTMNQDCAFRL-FNORWQNLSA-N 1 0 234.299 2.854 20 5 BFBDRO CC(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829125 167007436 /nfs/dbraw/zinc/00/74/36/167007436.db2.gz RQRCTSKFLGBSEB-UHFFFAOYSA-N 1 0 242.706 2.994 20 5 BFBDRO CC(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050442968 167118507 /nfs/dbraw/zinc/11/85/07/167118507.db2.gz ZCALAWPWKCXVSJ-UHFFFAOYSA-N 1 0 228.679 2.746 20 5 BFBDRO CCC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677535 168299315 /nfs/dbraw/zinc/29/93/15/168299315.db2.gz KSTYEDBCADFPSN-UHFFFAOYSA-N 1 0 236.315 2.916 20 5 BFBDRO CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000013718127 168299667 /nfs/dbraw/zinc/29/96/67/168299667.db2.gz SCIRUIYNPMNJCD-UHFFFAOYSA-N 1 0 222.288 2.873 20 5 BFBDRO C[C@@H]([NH2+]C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000052207833 411400000 /nfs/dbraw/zinc/40/00/00/411400000.db2.gz XZHQYGRCERIFAU-SECBINFHSA-N 1 0 220.272 2.798 20 5 BFBDRO Cc1ccc(C[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000052208161 411400176 /nfs/dbraw/zinc/40/01/76/411400176.db2.gz AWXBCYHRNVSRTB-UHFFFAOYSA-N 1 0 220.272 2.545 20 5 BFBDRO CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000212213660 170107521 /nfs/dbraw/zinc/10/75/21/170107521.db2.gz OKYDFEHJZCDUAC-YFHOEESVSA-N 1 0 220.272 2.608 20 5 BFBDRO CC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648608 170754451 /nfs/dbraw/zinc/75/44/51/170754451.db2.gz YFDWRHWZRPYPBM-SECBINFHSA-N 1 0 222.288 2.791 20 5 BFBDRO CC[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285414453 171308325 /nfs/dbraw/zinc/30/83/25/171308325.db2.gz VEGJHYYJVADIHK-NSHDSACASA-N 1 0 236.315 2.868 20 5 BFBDRO CC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677538 171340975 /nfs/dbraw/zinc/34/09/75/171340975.db2.gz WYIDOHIKFGJYPE-JTQLQIEISA-N 1 0 222.288 2.525 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000266557183 176026648 /nfs/dbraw/zinc/02/66/48/176026648.db2.gz WIUNJWBNEDWYDH-JTQLQIEISA-N 1 0 220.272 2.752 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000029131354 176109373 /nfs/dbraw/zinc/10/93/73/176109373.db2.gz PFZYNGPCNCRLFU-LLVKDONJSA-N 1 0 234.299 2.622 20 5 in-vivo BFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000071207448 176131231 /nfs/dbraw/zinc/13/12/31/176131231.db2.gz QXZZFLQJVXRONL-RISCZKNCSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177900990 176176473 /nfs/dbraw/zinc/17/64/73/176176473.db2.gz SQMKDMDRSGMRQA-GHMZBOCLSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]1CC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353116231 176217240 /nfs/dbraw/zinc/21/72/40/176217240.db2.gz GCULTINNXFQZRU-FJYXQWIHSA-N 1 0 246.310 2.996 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000336796082 176376845 /nfs/dbraw/zinc/37/68/45/176376845.db2.gz PGYPFZZHCZLEAE-JTNHKYCSSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000103347520 177127174 /nfs/dbraw/zinc/12/71/74/177127174.db2.gz DOXMNZISAIJATK-JQWIXIFHSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000177901003 177164796 /nfs/dbraw/zinc/16/47/96/177164796.db2.gz SQMKDMDRSGMRQA-WDEREUQCSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000080456959 177193512 /nfs/dbraw/zinc/19/35/12/177193512.db2.gz QWUFQAZKJUHRBC-CMPLNLGQSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123328349 177200350 /nfs/dbraw/zinc/20/03/50/177200350.db2.gz DKLPPWVMCWWYRK-QWRGUYRKSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459718 177205500 /nfs/dbraw/zinc/20/55/00/177205500.db2.gz OHDOEDIOWICFMD-AAEUAGOBSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000570462603 323060113 /nfs/dbraw/zinc/06/01/13/323060113.db2.gz IPZUHLFFDRRHLG-NOZJJQNGSA-N 1 0 246.310 2.970 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC1CC1)C2 ZINC000536000637 323195126 /nfs/dbraw/zinc/19/51/26/323195126.db2.gz FJPLTWYHCQREBR-UHFFFAOYSA-N 1 0 246.310 2.753 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC12CC2 ZINC000564469287 325793782 /nfs/dbraw/zinc/79/37/82/325793782.db2.gz BNTBYCLFYJPIQN-WCQYABFASA-N 1 0 244.294 2.724 20 5 BFBDRO CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166465153 326432991 /nfs/dbraw/zinc/43/29/91/326432991.db2.gz IBESZLRIGZWUJT-VIFPVBQESA-N 1 0 208.261 2.574 20 5 BFBDRO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348393 533713967 /nfs/dbraw/zinc/71/39/67/533713967.db2.gz MJNKDAGULOQOLX-ZYHUDNBSSA-N 1 0 234.299 2.683 20 5 BFBDRO CC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470172051 527792759 /nfs/dbraw/zinc/79/27/59/527792759.db2.gz RMNOQZGFUFDWAW-FLIBITNWSA-N 1 0 234.299 2.950 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000897953660 584064075 /nfs/dbraw/zinc/06/40/75/584064075.db2.gz RIWUYBIEPLJLGS-FPMFFAJLSA-N 1 0 246.310 2.873 20 5 BFBDRO CC[C@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901395217 584438583 /nfs/dbraw/zinc/43/85/83/584438583.db2.gz JYRUGDPQYAADGU-VIFPVBQESA-N 1 0 247.254 2.660 20 5 BFBDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000816649087 584981583 /nfs/dbraw/zinc/98/15/83/584981583.db2.gz TUDSVJKOLWHGOM-WDEREUQCSA-N 1 0 234.299 2.743 20 5 BFBDRO Cc1ccc([C@H](C)[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000020085528 585023710 /nfs/dbraw/zinc/02/37/10/585023710.db2.gz BSRQFRMWLSATCC-JTQLQIEISA-N 1 0 222.288 2.962 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761088391 585407669 /nfs/dbraw/zinc/40/76/69/585407669.db2.gz GKLITSRXRNRGRC-XWIASGKRSA-N 1 0 232.283 2.750 20 5 BFBDRO C[C@H](C1CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000782181632 585810437 /nfs/dbraw/zinc/81/04/37/585810437.db2.gz DECKBQMFZUJUIV-SNVBAGLBSA-N 1 0 246.310 2.751 20 5 BFBDRO Cc1ccccc1[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000791053837 585973390 /nfs/dbraw/zinc/97/33/90/585973390.db2.gz HYTKAUAOXVXGJH-ZDUSSCGKSA-N 1 0 236.315 2.558 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C=CCC1 ZINC000850357944 588539522 /nfs/dbraw/zinc/53/95/22/588539522.db2.gz CGZSBYKWFIROKH-VUDGCMKMSA-N 1 0 244.294 2.916 20 5 BFBDRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507495 588553393 /nfs/dbraw/zinc/55/33/93/588553393.db2.gz FOLHKOYXBMLECQ-ONGXEEELSA-N 1 0 247.298 2.546 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CCC2)c1 ZINC000122998621 589647936 /nfs/dbraw/zinc/64/79/36/589647936.db2.gz BOJGQXNTPXPFJS-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CCC1 ZINC000122998824 589647964 /nfs/dbraw/zinc/64/79/64/589647964.db2.gz PFMXQXNEBBMOCW-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCF ZINC000873080649 589983692 /nfs/dbraw/zinc/98/36/92/589983692.db2.gz RYXHBDOZQSVSMT-UHFFFAOYSA-N 1 0 240.278 2.661 20 5 BFBDRO Cc1c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000873138032 589986320 /nfs/dbraw/zinc/98/63/20/589986320.db2.gz ARUKZSVMWQRASY-IMRBUKKESA-N 1 0 246.310 2.791 20 5 BFBDRO Cc1c(C[NH+]2CC(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000877542743 590352302 /nfs/dbraw/zinc/35/23/02/590352302.db2.gz WQFYQDXCTZGCEM-UHFFFAOYSA-N 1 0 246.310 2.745 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(F)CC2)c1 ZINC000880242704 590975255 /nfs/dbraw/zinc/97/52/55/590975255.db2.gz INFSDBBXZHISPF-UHFFFAOYSA-N 1 0 238.262 2.529 20 5 BFBDRO CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885943828 592111695 /nfs/dbraw/zinc/11/16/95/592111695.db2.gz DITLERMLHUCGJG-GFCCVEGCSA-N 1 0 249.314 2.754 20 5 BFBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885965111 592116761 /nfs/dbraw/zinc/11/67/61/592116761.db2.gz JLZNSZKVRIHEDT-GFCCVEGCSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886004240 592127310 /nfs/dbraw/zinc/12/73/10/592127310.db2.gz VUFWFVRGGQBTBH-QWRGUYRKSA-N 1 0 249.314 2.753 20 5 BFBDRO CCC(C)(C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886068466 592143227 /nfs/dbraw/zinc/14/32/27/592143227.db2.gz YSXQQGZLKNFDSD-UHFFFAOYSA-N 1 0 237.303 2.610 20 5 BFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886247185 592186012 /nfs/dbraw/zinc/18/60/12/592186012.db2.gz JTYMXZJMUWECKA-SNVBAGLBSA-N 1 0 249.314 2.610 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000930243999 639651328 /nfs/dbraw/zinc/65/13/28/639651328.db2.gz DKXLEZXFDMNVMI-CQSZACIVSA-N 1 0 248.326 2.784 20 5 BFBDRO Cc1c(C[NH2+]CC2CCC2)cccc1[N+](=O)[O-] ZINC000035648893 639793714 /nfs/dbraw/zinc/79/37/14/639793714.db2.gz OWSGENXUXTUULJ-UHFFFAOYSA-N 1 0 234.299 2.793 20 5 BFBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000930699995 639866710 /nfs/dbraw/zinc/86/67/10/639866710.db2.gz MDYKLDBAKVVUQN-KBPBESRZSA-N 1 0 248.326 2.531 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174417784 641282609 /nfs/dbraw/zinc/28/26/09/641282609.db2.gz XNFVPLUJCALNBJ-SECBINFHSA-N 1 0 238.262 2.718 20 5 BFBDRO CC[C@@H](C)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929222900 643601353 /nfs/dbraw/zinc/60/13/53/643601353.db2.gz NKGOKVZXIRSFCA-GFCCVEGCSA-N 1 0 236.315 2.564 20 5 BFBDRO CCC1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCC1 ZINC000886223150 645883967 /nfs/dbraw/zinc/88/39/67/645883967.db2.gz HXQXNYHEDKVLMY-UHFFFAOYSA-N 1 0 249.314 2.802 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C=CCC2)cs1 ZINC000711751753 712324831 /nfs/dbraw/zinc/32/48/31/712324831.db2.gz SGQUBNRNFUAMBC-VIFPVBQESA-N 1 0 238.312 2.712 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000710491567 712253679 /nfs/dbraw/zinc/25/36/79/712253679.db2.gz KVQNQFZQHWNTEI-OCCSQVGLSA-N 1 0 246.310 2.875 20 5 BFBDRO Cc1c(C[NH2+][C@@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000715262887 712514939 /nfs/dbraw/zinc/51/49/39/712514939.db2.gz UTDSDECOGIYZPA-GFCCVEGCSA-N 1 0 232.283 2.545 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996038 969327319 /nfs/dbraw/zinc/32/73/19/969327319.db2.gz UJQZMZHMAINMAU-FVCCEPFGSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C ZINC001173217507 975069147 /nfs/dbraw/zinc/06/91/47/975069147.db2.gz VVVSBDDUAOGJNN-JTQLQIEISA-N 1 0 236.315 2.914 20 5 BFBDRO Cc1cccc(C)c1CO[C@H](C)C[N+](C)(C)C ZINC001222829310 972705068 /nfs/dbraw/zinc/70/50/68/972705068.db2.gz YSTULFUEZACDLW-CQSZACIVSA-N 1 0 236.379 2.915 20 5 BFBDRO C[C@@H]1C[C@H](OCC[N+](C)(C)C)CC(C)(C)C1 ZINC001224773170 973935223 /nfs/dbraw/zinc/93/52/23/973935223.db2.gz FGISIIKIMOJEHM-OLZOCXBDSA-N 1 0 228.400 2.924 20 5 BFBDRO CC[C@H]1CCCC[C@@H]1OCC[N+](C)(C)C ZINC001224771484 973938326 /nfs/dbraw/zinc/93/83/26/973938326.db2.gz NFCBFUYICNDDFI-STQMWFEESA-N 1 0 214.373 2.678 20 5 BFBDRO C[C@@H]1CC[C@H](C)[C@@H](OCC[N+](C)(C)C)C1 ZINC001224775814 973941257 /nfs/dbraw/zinc/94/12/57/973941257.db2.gz PRFVAWQWYRCPEX-AGIUHOORSA-N 1 0 214.373 2.534 20 5 BFBDRO Cc1cccc([C@H](C)OCC[N+](C)(C)C)c1 ZINC001224775778 973942144 /nfs/dbraw/zinc/94/21/44/973942144.db2.gz OZBUEOWFNIVVNJ-ZDUSSCGKSA-N 1 0 222.352 2.779 20 5 BFBDRO CCCC(=O)[C@@H](CCC)OCCC[N+](C)(C)C ZINC001224621798 964811760 /nfs/dbraw/zinc/81/17/60/964811760.db2.gz DEFJQLBJTOCUTI-CQSZACIVSA-N 1 0 244.399 2.637 20 5 BFBDRO CC(C)CC[C@@H](C)OCCC[N+](C)(C)C ZINC001224620804 964811844 /nfs/dbraw/zinc/81/18/44/964811844.db2.gz BVKCPBJPVFBKLC-CYBMUJFWSA-N 1 0 216.389 2.924 20 5 BFBDRO C[N+](C)(C)CCO[C@H]1CCCc2ccccc21 ZINC001224771183 964934458 /nfs/dbraw/zinc/93/44/58/964934458.db2.gz HWUFMGBWZMNITE-HNNXBMFYSA-N 1 0 234.363 2.787 20 5 BFBDRO Cc1c(C[NH2+][C@]23C[C@H]2CCC3)cccc1[N+](=O)[O-] ZINC000822075014 968506901 /nfs/dbraw/zinc/50/69/01/968506901.db2.gz LAEDFEJVKLQLFJ-TZMCWYRMSA-N 1 0 246.310 2.935 20 5 BFBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959949 969309774 /nfs/dbraw/zinc/30/97/74/969309774.db2.gz YFELKKKOZVLYOS-VOAKCMCISA-N 1 0 240.347 2.600 20 5 BFBDRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959968 969309985 /nfs/dbraw/zinc/30/99/85/969309985.db2.gz YIQUVHBUHZUGCP-ZIAGYGMSSA-N 1 0 248.326 2.530 20 5 BFBDRO CCC[NH+](CCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006391 969331798 /nfs/dbraw/zinc/33/17/98/969331798.db2.gz HMNOSTXDEYNHTG-VXGBXAGGSA-N 1 0 228.336 2.554 20 5 BFBDRO CC(C)[NH+](C(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007436 969332813 /nfs/dbraw/zinc/33/28/13/969332813.db2.gz NRSROIPZWXSSSM-VXGBXAGGSA-N 1 0 228.336 2.551 20 5 BFBDRO CC(C)[NH+](C(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007435 969333950 /nfs/dbraw/zinc/33/39/50/969333950.db2.gz NRSROIPZWXSSSM-RYUDHWBXSA-N 1 0 228.336 2.551 20 5 BFBDRO CC(C)[NH+](C(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007433 969335590 /nfs/dbraw/zinc/33/55/90/969335590.db2.gz NRSROIPZWXSSSM-NEPJUHHUSA-N 1 0 228.336 2.551 20 5 BFBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990196 969345333 /nfs/dbraw/zinc/34/53/33/969345333.db2.gz YFELKKKOZVLYOS-FVCCEPFGSA-N 1 0 240.347 2.600 20 5 BFBDRO CCCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991282 969345913 /nfs/dbraw/zinc/34/59/13/969345913.db2.gz GDIFHNAOHQQWJM-NWDGAFQWSA-N 1 0 240.347 2.744 20 5 BFBDRO CCC[N@H+](CC(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042823 969360324 /nfs/dbraw/zinc/36/03/24/969360324.db2.gz GEYIFUGZJICGFW-CHWSQXEVSA-N 1 0 242.363 2.800 20 5 BFBDRO CC(C)[N@H+](CC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026399 969366989 /nfs/dbraw/zinc/36/69/89/969366989.db2.gz LRUSAKSDODPAFK-CHWSQXEVSA-N 1 0 240.347 2.552 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C ZINC001254534649 969725584 /nfs/dbraw/zinc/72/55/84/969725584.db2.gz ZYXPIVPWEQIYFP-SNVBAGLBSA-N 1 0 236.315 2.914 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C ZINC001254533150 969733183 /nfs/dbraw/zinc/73/31/83/969733183.db2.gz WLMAKINSDKVVNC-MDZLAQPJSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001254550117 969735404 /nfs/dbraw/zinc/73/54/04/969735404.db2.gz CWZBDWKTFKBIFZ-JTQLQIEISA-N 1 0 234.299 2.620 20 5 BFBDRO CC[NH+](CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551109 969735596 /nfs/dbraw/zinc/73/55/96/969735596.db2.gz YDJRFZYPPLCOEB-LLVKDONJSA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1C ZINC001254552032 969736897 /nfs/dbraw/zinc/73/68/97/969736897.db2.gz IFRLWNJYDGZTLT-MNOVXSKESA-N 1 0 234.299 2.620 20 5 BFBDRO CC(C)[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569880 969739658 /nfs/dbraw/zinc/73/96/58/969739658.db2.gz ZTFVIYLMGPWSSN-ZWNOBZJWSA-N 1 0 248.326 2.696 20 5 BFBDRO CC[C@H](C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566442 969739694 /nfs/dbraw/zinc/73/96/94/969739694.db2.gz KEVSYRISQCWFHE-GWCFXTLKSA-N 1 0 248.326 2.698 20 5 BFBDRO CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254571859 969740439 /nfs/dbraw/zinc/74/04/39/969740439.db2.gz CHWRKPQLNCHYTQ-LBPRGKRZSA-N 1 0 246.310 2.594 20 5 BFBDRO CCC(C)(C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565194 969741757 /nfs/dbraw/zinc/74/17/57/969741757.db2.gz CCOAFPRMEIGCLU-LBPRGKRZSA-N 1 0 248.326 2.840 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCCCC1)C2 ZINC001254600265 969744758 /nfs/dbraw/zinc/74/47/58/969744758.db2.gz RRUVAOVCTZIMHW-AWEZNQCLSA-N 1 0 246.310 2.548 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]cc1C ZINC001211285480 970216016 /nfs/dbraw/zinc/21/60/16/970216016.db2.gz XNBQVDKTDKIVQA-UHFFFAOYSA-N 1 0 243.266 2.772 20 5 BFBDRO C[C@H](C[N+](C)(C)C)O[C@H]1CCc2ccccc21 ZINC001223420427 973057325 /nfs/dbraw/zinc/05/73/25/973057325.db2.gz LQRDHWXSZBFVOJ-DOMZBBRYSA-N 1 0 234.363 2.785 20 5 BFBDRO C=C(O[C@@H](C)C[N+](C)(C)C)c1ccccc1 ZINC001223639811 973208862 /nfs/dbraw/zinc/20/88/62/973208862.db2.gz VWFXABOMLKMTEZ-LBPRGKRZSA-N 1 0 220.336 2.769 20 5 BFBDRO C[N+](C)(C)CCCO[C@H]1CCc2ccccc21 ZINC001224619681 973802758 /nfs/dbraw/zinc/80/27/58/973802758.db2.gz QBEPMBXQUIXVLO-HNNXBMFYSA-N 1 0 234.363 2.787 20 5 BFBDRO C[C@H]1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224623478 973805441 /nfs/dbraw/zinc/80/54/41/973805441.db2.gz NSBDSUQEEYPUJO-QWHCGFSZSA-N 1 0 214.373 2.678 20 5 BFBDRO CC(C)CC[C@H](C)OCC[N+](C)(C)C ZINC001224776281 973944502 /nfs/dbraw/zinc/94/45/02/973944502.db2.gz UKQOVLJTLQJLQM-LBPRGKRZSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncccc2c1 ZINC001225328864 974403837 /nfs/dbraw/zinc/40/38/37/974403837.db2.gz HDKTTXNCYVRVTF-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO Cc1ccc2[nH]ccc2c1O[C@@H](C)C[N+](C)(C)C ZINC001225436404 974488050 /nfs/dbraw/zinc/48/80/50/974488050.db2.gz BAZYWBYEUDULQQ-LBPRGKRZSA-N 1 0 247.362 2.950 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(F)c1F ZINC001225957823 974744585 /nfs/dbraw/zinc/74/45/85/974744585.db2.gz WSCLTNIRNVABTM-MRVPVSSYSA-N 1 0 248.268 2.577 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(O)c1Cl ZINC001226708755 975039826 /nfs/dbraw/zinc/03/98/26/975039826.db2.gz IYGFZKZXMXYUIX-SECBINFHSA-O 1 0 244.742 2.519 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC1 ZINC001173217998 975068515 /nfs/dbraw/zinc/06/85/15/975068515.db2.gz NYZHTUPWKAWQLZ-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]1C ZINC001173223089 975075466 /nfs/dbraw/zinc/07/54/66/975075466.db2.gz XHUDLXSLFVDWRM-QWRGUYRKSA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C ZINC001173211561 975078630 /nfs/dbraw/zinc/07/86/30/975078630.db2.gz SVJNHNHNDSLEAS-GBIKHYSHSA-N 1 0 234.299 2.524 20 5 BFBDRO Cc1cc2c(ccnc2O[C@@H](C)C[N+](C)(C)C)o1 ZINC001227092094 975266346 /nfs/dbraw/zinc/26/63/46/975266346.db2.gz RSMGDHGXKXSPGQ-NSHDSACASA-N 1 0 249.334 2.610 20 5 BFBDRO CCc1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001227680881 975599860 /nfs/dbraw/zinc/59/98/60/975599860.db2.gz GSLXEBISOFRJMT-LBPRGKRZSA-N 1 0 222.352 2.723 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccccc2n1 ZINC001228087359 975897123 /nfs/dbraw/zinc/89/71/23/975897123.db2.gz KXZNEYCLFXHGMU-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO CCc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228240441 976010308 /nfs/dbraw/zinc/01/03/08/976010308.db2.gz MBVUNKYOUIINPY-LBPRGKRZSA-N 1 0 222.352 2.723 20 5 BFBDRO Cc1nc2ccc(O[C@H](C)C[N+](C)(C)C)cc2o1 ZINC001228334248 976126507 /nfs/dbraw/zinc/12/65/07/976126507.db2.gz DPXZJYOLZDPZGL-SNVBAGLBSA-N 1 0 249.334 2.610 20 5 BFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1 ZINC001337708110 978469063 /nfs/dbraw/zinc/46/90/63/978469063.db2.gz DGLMYTSNZPGPSH-UHFFFAOYSA-N 1 0 243.266 2.626 20 5 BFBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC001353353120 982843655 /nfs/dbraw/zinc/84/36/55/982843655.db2.gz FKROSBAZMOTYRD-UHFFFAOYSA-N 1 0 237.303 2.610 20 5 BFBDRO Cc1c(C[NH+]2CC(C(C)C)C2)cccc1[N+](=O)[O-] ZINC001462158179 986297404 /nfs/dbraw/zinc/29/74/04/986297404.db2.gz PRFIDSJTNICNPO-UHFFFAOYSA-N 1 0 248.326 2.991 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001473670585 987524522 /nfs/dbraw/zinc/52/45/22/987524522.db2.gz LPVAYWXQJFBYGC-CYBMUJFWSA-N 1 0 240.347 2.555 20 5 BFBDRO C[C@@H]([NH2+]C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001319975256 992050950 /nfs/dbraw/zinc/05/09/50/992050950.db2.gz YPDLECYNZJLFIU-SECBINFHSA-N 1 0 220.272 2.798 20 5 BFBDRO Cc1c(C[NH2+]C(C)(C)CF)cccc1[N+](=O)[O-] ZINC001261903318 992569438 /nfs/dbraw/zinc/56/94/38/992569438.db2.gz UFPIIXHYXVEEDQ-UHFFFAOYSA-N 1 0 240.278 2.741 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293448267 398194987 /nfs/dbraw/zinc/19/49/87/398194987.db2.gz PDCWKASPPDSSNQ-OUAUKWLOSA-N 1 0 234.299 2.996 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)C1 ZINC000273418584 178271489 /nfs/dbraw/zinc/27/14/89/178271489.db2.gz IZZXLQHXEACUCD-SNVBAGLBSA-N 1 0 234.299 2.745 20 5 BFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893195 398309544 /nfs/dbraw/zinc/30/95/44/398309544.db2.gz GEJJZLVNPJTYJU-GHMZBOCLSA-N 1 0 234.299 2.825 20 5 BFBDRO CCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472318 342935752 /nfs/dbraw/zinc/93/57/52/342935752.db2.gz GNHYFJYJLQHKSV-UHFFFAOYSA-N 1 0 228.317 2.936 20 5 BFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000076853292 344038926 /nfs/dbraw/zinc/03/89/26/344038926.db2.gz PPQIAZJVQQEINE-UHFFFAOYSA-N 1 0 222.288 2.825 20 5 BFBDRO Cc1ccoc1CNCc1ccccc1[N+](=O)[O-] ZINC000135150805 343943781 /nfs/dbraw/zinc/94/37/81/343943781.db2.gz FYKLVTVLWWPRJW-UHFFFAOYSA-N 1 0 246.266 2.786 20 5 BFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145066916 344356583 /nfs/dbraw/zinc/35/65/83/344356583.db2.gz FSLXLWZRBSVFPS-LBPRGKRZSA-N 1 0 234.299 2.969 20 5 BFBDRO Cc1ccc([C@H](C)NCC(F)F)cc1[N+](=O)[O-] ZINC000136573069 346244067 /nfs/dbraw/zinc/24/40/67/346244067.db2.gz ZLINZAOXTUGTBB-QMMMGPOBSA-N 1 0 244.241 2.819 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)F ZINC000601136166 346257103 /nfs/dbraw/zinc/25/71/03/346257103.db2.gz AMEAFKKARMUXGY-UHFFFAOYSA-N 1 0 240.278 2.741 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000170915551 346479795 /nfs/dbraw/zinc/47/97/95/346479795.db2.gz GEBMAUPOSDLFAX-MRVPVSSYSA-N 1 0 228.317 2.887 20 5 BFBDRO C[NH2+]CCS[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000592177120 347759073 /nfs/dbraw/zinc/75/90/73/347759073.db2.gz CJYXFKXIGHSIAJ-VIFPVBQESA-N 1 0 240.328 2.608 20 5 BFBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC000594510052 348065581 /nfs/dbraw/zinc/06/55/81/348065581.db2.gz NVJKKTWBJDAPLQ-UHFFFAOYSA-N 1 0 232.283 2.793 20 5 BFBDRO CC1(C)C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510211 348061292 /nfs/dbraw/zinc/06/12/92/348061292.db2.gz AZJFCKQTVQOBJB-WCQYABFASA-N 1 0 246.310 2.970 20 5 BFBDRO CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492708 348062505 /nfs/dbraw/zinc/06/25/05/348062505.db2.gz ZJHPVDQWOYSTEO-LLVKDONJSA-N 1 0 220.272 2.582 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000594954414 348148388 /nfs/dbraw/zinc/14/83/88/348148388.db2.gz ZQLBGVCTTPGVBZ-JSGCOSHPSA-N 1 0 246.310 2.935 20 5 BFBDRO CC1(C)C[C@@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594997094 348168295 /nfs/dbraw/zinc/16/82/95/348168295.db2.gz SUGJLBRNMDARGC-LLVKDONJSA-N 1 0 240.328 2.935 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595562534 348281011 /nfs/dbraw/zinc/28/10/11/348281011.db2.gz PTKTYHNBXJVNPH-AAEUAGOBSA-N 1 0 246.310 2.969 20 5 BFBDRO CC(C)[C@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000342863166 350816550 /nfs/dbraw/zinc/81/65/50/350816550.db2.gz VXRHEBWXCLDUAE-CYBMUJFWSA-N 1 0 234.299 2.825 20 5 BFBDRO Cc1c(C[NH2+]Cc2cc[nH]c2)cccc1[N+](=O)[O-] ZINC000231883644 351434557 /nfs/dbraw/zinc/43/45/57/351434557.db2.gz OSYBTBBTCXXWOU-UHFFFAOYSA-N 1 0 245.282 2.521 20 5 BFBDRO CC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926151 353133941 /nfs/dbraw/zinc/13/39/41/353133941.db2.gz MRGKNAMHJFBCJR-SNVBAGLBSA-N 1 0 222.288 2.731 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403577065 353161354 /nfs/dbraw/zinc/16/13/54/353161354.db2.gz YYYKJFAPNXYBKE-WCFLWFBJSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCC1 ZINC000578026248 366190335 /nfs/dbraw/zinc/19/03/35/366190335.db2.gz NJEHTBLDQIGMAK-LBPRGKRZSA-N 1 0 232.283 2.724 20 5 BFBDRO CC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000384822093 356761731 /nfs/dbraw/zinc/76/17/31/356761731.db2.gz FJUHEBTUTKQNDC-ARJAWSKDSA-N 1 0 226.301 2.712 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000610133343 357221466 /nfs/dbraw/zinc/22/14/66/357221466.db2.gz HUZITALRSYWEQA-BDAKNGLRSA-N 1 0 240.328 2.887 20 5 BFBDRO C[C@@H]1C[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133350 357221721 /nfs/dbraw/zinc/22/17/21/357221721.db2.gz ICQBCLVFFTUYKZ-VXGBXAGGSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000610133468 357222019 /nfs/dbraw/zinc/22/20/19/357222019.db2.gz RRPZRJYNCITLPK-GHMZBOCLSA-N 1 0 234.299 2.825 20 5 BFBDRO CC(C)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000619431156 358016858 /nfs/dbraw/zinc/01/68/58/358016858.db2.gz QHRXQYMIQLYGQE-UHFFFAOYSA-N 1 0 234.299 2.683 20 5 BFBDRO CC[C@H](C)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000170916211 134255527 /nfs/dbraw/zinc/25/55/27/134255527.db2.gz QNLHDALWXYOUIG-VIFPVBQESA-N 1 0 240.278 2.964 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174414210 134281812 /nfs/dbraw/zinc/28/18/12/134281812.db2.gz IKHRUKKWFSSRHT-SECBINFHSA-N 1 0 238.262 2.718 20 5 BFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000322008242 259483704 /nfs/dbraw/zinc/48/37/04/259483704.db2.gz IDTVLUZHKVZFPC-SCVCMEIPSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@@H]1C[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000580469160 359572793 /nfs/dbraw/zinc/57/27/93/359572793.db2.gz NIFKLVFEUYNAIG-DGCLKSJQSA-N 1 0 248.326 2.725 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000385896141 360439709 /nfs/dbraw/zinc/43/97/09/360439709.db2.gz DYTBPROFGHRSOZ-WZRBSPASSA-N 1 0 248.326 2.771 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424198703 200886644 /nfs/dbraw/zinc/88/66/44/200886644.db2.gz DLHJABLTPWFFSW-CLLJXQQHSA-N 1 0 246.310 2.791 20 5 BFBDRO CC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037078789 361634127 /nfs/dbraw/zinc/63/41/27/361634127.db2.gz IGKIJHVNYRXQPR-UHFFFAOYSA-N 1 0 228.679 2.700 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000170790338 364204855 /nfs/dbraw/zinc/20/48/55/364204855.db2.gz ICIUFYOZKZPQAE-JTQLQIEISA-N 1 0 222.288 2.825 20 5 BFBDRO CC1(C)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000170872826 364555637 /nfs/dbraw/zinc/55/56/37/364555637.db2.gz YCJNRVLMJCFYLX-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCC1 ZINC000576052661 365466260 /nfs/dbraw/zinc/46/62/60/365466260.db2.gz RAFDXQPWHGHKOH-CYBMUJFWSA-N 1 0 246.310 2.972 20 5 BFBDRO CC(C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565666870 325941769 /nfs/dbraw/zinc/94/17/69/325941769.db2.gz OBRBODXBPFWIHN-LLVKDONJSA-N 1 0 220.272 2.580 20 5 BFBDRO CN(Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000042366691 368305912 /nfs/dbraw/zinc/30/59/12/368305912.db2.gz DXECXTACBWQJDN-UHFFFAOYSA-N 1 0 246.266 2.820 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403553760 369405885 /nfs/dbraw/zinc/40/58/85/369405885.db2.gz SYWRISAVCZDEMQ-RWMBFGLXSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403553759 369406005 /nfs/dbraw/zinc/40/60/05/369406005.db2.gz SYWRISAVCZDEMQ-JHJVBQTASA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@@H](CC1CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000069662946 370969373 /nfs/dbraw/zinc/96/93/73/370969373.db2.gz FENNBYZCDMRPOI-QMMMGPOBSA-N 1 0 240.328 2.935 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000310875823 370369790 /nfs/dbraw/zinc/36/97/90/370369790.db2.gz SSFQHDGMYRXSGO-IACUBPJLSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000020131378 371233204 /nfs/dbraw/zinc/23/32/04/371233204.db2.gz UTHHBAHVLWIZFQ-UHFFFAOYSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccs1 ZINC000020139510 371236155 /nfs/dbraw/zinc/23/61/55/371236155.db2.gz LRNODLQAIRVTQH-UHFFFAOYSA-N 1 0 248.307 2.946 20 5 BFBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000125382930 371337730 /nfs/dbraw/zinc/33/77/30/371337730.db2.gz OWGGJJRGRJPRBO-LLVKDONJSA-N 1 0 248.326 2.773 20 5 BFBDRO C[C@H]1C[C@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415668 371631122 /nfs/dbraw/zinc/63/11/22/371631122.db2.gz OPFJKWKNLFZJDX-JQWIXIFHSA-N 1 0 246.310 2.609 20 5 BFBDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000601286951 371744642 /nfs/dbraw/zinc/74/46/42/371744642.db2.gz CKXUKIOJUMVRAN-SECBINFHSA-N 1 0 240.278 2.994 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC(F)(F)F ZINC000063099226 182949134 /nfs/dbraw/zinc/94/91/34/182949134.db2.gz PXLQKIWHRPEUNY-UHFFFAOYSA-N 1 0 248.204 2.637 20 5 BFBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000087225983 169081310 /nfs/dbraw/zinc/08/13/10/169081310.db2.gz PIAKHHWMJWMJKN-UHFFFAOYSA-N 1 0 226.251 2.576 20 5 BFBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000299379833 169130075 /nfs/dbraw/zinc/13/00/75/169130075.db2.gz NHMNSOJJILTJAJ-UHFFFAOYSA-N 1 0 222.288 2.827 20 5 BFBDRO CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020084335 169277401 /nfs/dbraw/zinc/27/74/01/169277401.db2.gz IYBLEHBYUCQQAK-VIFPVBQESA-N 1 0 208.261 2.655 20 5 BFBDRO CC[NH+](CC)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000156911214 383860376 /nfs/dbraw/zinc/86/03/76/383860376.db2.gz ZGFNIIVHIMSPEW-VQHVLOKHSA-N 1 0 234.299 2.950 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000310553169 384194046 /nfs/dbraw/zinc/19/40/46/384194046.db2.gz XEDUXECRLFODIN-FOGDFJRCSA-N 1 0 234.299 2.729 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC2(C1)CCCC2 ZINC000362322239 384195245 /nfs/dbraw/zinc/19/52/45/384195245.db2.gz MKYUMXWAHGCFPJ-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO Cc1c(C[N@H+]2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362434189 384215153 /nfs/dbraw/zinc/21/51/53/384215153.db2.gz LWWLIPJVGGRHLY-PHIMTYICSA-N 1 0 248.326 2.991 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000336715661 384256848 /nfs/dbraw/zinc/25/68/48/384256848.db2.gz SSGTXFVPTNTKEZ-SKDRFNHKSA-N 1 0 234.299 2.791 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000363384883 384472994 /nfs/dbraw/zinc/47/29/94/384472994.db2.gz QTLZZNQGRRKQNX-CQSZACIVSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC1CC1)CC2 ZINC000359913181 384458353 /nfs/dbraw/zinc/45/83/53/384458353.db2.gz SUUOJAAILXEKIY-UHFFFAOYSA-N 1 0 246.310 2.753 20 5 BFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000037472360 384502919 /nfs/dbraw/zinc/50/29/19/384502919.db2.gz WJXQLDAAUIUUJU-ZETCQYMHSA-N 1 0 226.301 2.544 20 5 BFBDRO CC[NH+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000263806731 385146676 /nfs/dbraw/zinc/14/66/76/385146676.db2.gz WILCDMCUQKKPQC-JTQLQIEISA-N 1 0 222.288 2.998 20 5 BFBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294919811 385307645 /nfs/dbraw/zinc/30/76/45/385307645.db2.gz YOWMYYLBSYAYII-UHFFFAOYSA-N 1 0 220.272 2.627 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000292977667 385729630 /nfs/dbraw/zinc/72/96/30/385729630.db2.gz KVLLHPDUEMVHOY-OUAUKWLOSA-N 1 0 234.299 2.996 20 5 BFBDRO CC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000572069381 386476363 /nfs/dbraw/zinc/47/63/63/386476363.db2.gz YJXJIQJUFDIFIN-UHFFFAOYSA-N 1 0 234.299 2.527 20 5 BFBDRO CC[NH+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000087225957 386745076 /nfs/dbraw/zinc/74/50/76/386745076.db2.gz LJHYTCNUNGPBCU-UHFFFAOYSA-N 1 0 226.251 2.576 20 5 BFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000414098858 387018534 /nfs/dbraw/zinc/01/85/34/387018534.db2.gz JGJBPUMFSQPAIZ-NTZNESFSSA-N 1 0 248.326 2.771 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CC1)CCC2 ZINC000192645988 387245596 /nfs/dbraw/zinc/24/55/96/387245596.db2.gz DHSGJPMWHYVRGG-CQSZACIVSA-N 1 0 246.310 2.972 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000152624743 387343267 /nfs/dbraw/zinc/34/32/67/387343267.db2.gz BLNQYYWWWUJUSY-BETUJISGSA-N 1 0 246.310 2.827 20 5 BFBDRO CC[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548783656 388369121 /nfs/dbraw/zinc/36/91/21/388369121.db2.gz OMWVYGXWUOKXPK-JTQLQIEISA-N 1 0 234.299 2.751 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000040675958 388424034 /nfs/dbraw/zinc/42/40/34/388424034.db2.gz GQRGNJDLPDRCBZ-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC12CC2 ZINC000418092849 388675394 /nfs/dbraw/zinc/67/53/94/388675394.db2.gz ILPPCDVXTRVJQE-LBPRGKRZSA-N 1 0 246.310 2.793 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC1 ZINC000449125381 388746537 /nfs/dbraw/zinc/74/65/37/388746537.db2.gz SBDLQQMQWANHPU-SNVBAGLBSA-N 1 0 234.299 2.668 20 5 BFBDRO CC[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060881 388747146 /nfs/dbraw/zinc/74/71/46/388747146.db2.gz FABMGEBIOKPXHM-WDEREUQCSA-N 1 0 236.315 2.914 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CC1 ZINC000449061731 388747192 /nfs/dbraw/zinc/74/71/92/388747192.db2.gz JQMQTKWFPAHAPH-QWRGUYRKSA-N 1 0 248.326 2.914 20 5 BFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449427290 388750017 /nfs/dbraw/zinc/75/00/17/388750017.db2.gz RIMZEUYQFQSWCI-CYBMUJFWSA-N 1 0 246.310 2.888 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC12CC2 ZINC000424181260 388694752 /nfs/dbraw/zinc/69/47/52/388694752.db2.gz BNNNOUFZYANPRW-LBPRGKRZSA-N 1 0 232.283 2.545 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000424204972 388694765 /nfs/dbraw/zinc/69/47/65/388694765.db2.gz VWNKDTAOWVBMGQ-UONOGXRCSA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@H]([NH2+][C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326258 388695898 /nfs/dbraw/zinc/69/58/98/388695898.db2.gz OSCKTCMXGRTTAF-CABZTGNLSA-N 1 0 232.283 2.798 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000377764654 388725339 /nfs/dbraw/zinc/72/53/39/388725339.db2.gz BUPJPHHHBJXLRT-TZMCWYRMSA-N 1 0 246.310 2.969 20 5 BFBDRO CC[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282531682 388817906 /nfs/dbraw/zinc/81/79/06/388817906.db2.gz VBVOQBGLSMHOMA-LLVKDONJSA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284943957 388834169 /nfs/dbraw/zinc/83/41/69/388834169.db2.gz DYCYJRHYESHBRR-DTWKUNHWSA-N 1 0 249.314 2.626 20 5 BFBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000226257973 134362651 /nfs/dbraw/zinc/36/26/51/134362651.db2.gz PXGGEJZLCQPYIE-LLVKDONJSA-N 1 0 234.299 2.731 20 5 BFBDRO C[C@H]([NH2+]Cc1cc[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000080773834 135384781 /nfs/dbraw/zinc/38/47/81/135384781.db2.gz LMTZDZXUWNMAIB-JTQLQIEISA-N 1 0 245.282 2.774 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000336715656 397949533 /nfs/dbraw/zinc/94/95/33/397949533.db2.gz SSGTXFVPTNTKEZ-CABZTGNLSA-N 1 0 234.299 2.791 20 5 BFBDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000335818304 410059199 /nfs/dbraw/zinc/05/91/99/410059199.db2.gz VIVBYNGIXVECIN-NXEZZACHSA-N 1 0 220.272 2.578 20 5 BFBDRO CC1=C[C@H](C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000430285557 410377367 /nfs/dbraw/zinc/37/73/67/410377367.db2.gz UHULJWSVIHSSJC-NSHDSACASA-N 1 0 246.310 2.993 20 5 BFBDRO CC1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000280628113 168020296 /nfs/dbraw/zinc/02/02/96/168020296.db2.gz QEFFSWQKFYUNDJ-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO CC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270331453 168114220 /nfs/dbraw/zinc/11/42/20/168114220.db2.gz LUSCQAPRJSSOFM-UHFFFAOYSA-N 1 0 232.283 2.747 20 5 BFBDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294914362 168146532 /nfs/dbraw/zinc/14/65/32/168146532.db2.gz WRVKZPAQJVLIBJ-YUCVTWSNSA-N 1 0 249.314 2.626 20 5 BFBDRO CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000037948096 170156940 /nfs/dbraw/zinc/15/69/40/170156940.db2.gz GYMCLOXIBSZQBU-SNVBAGLBSA-N 1 0 222.288 2.525 20 5 BFBDRO C[N@H+](CCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000173208014 172682542 /nfs/dbraw/zinc/68/25/42/172682542.db2.gz RSGMOUKHMCYHOY-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293448266 176018912 /nfs/dbraw/zinc/01/89/12/176018912.db2.gz PDCWKASPPDSSNQ-MXWKQRLJSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000080456953 177205183 /nfs/dbraw/zinc/20/51/83/177205183.db2.gz QWUFQAZKJUHRBC-JQWIXIFHSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC1 ZINC000132713662 325240212 /nfs/dbraw/zinc/24/02/12/325240212.db2.gz QMPMHCXDACYEQT-VIFPVBQESA-N 1 0 220.272 2.716 20 5 BFBDRO CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475670 326053993 /nfs/dbraw/zinc/05/39/93/326053993.db2.gz ODPUXYZRJXIWNO-GFCCVEGCSA-N 1 0 246.310 2.972 20 5 BFBDRO CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475671 326054193 /nfs/dbraw/zinc/05/41/93/326054193.db2.gz ODPUXYZRJXIWNO-LBPRGKRZSA-N 1 0 246.310 2.972 20 5 BFBDRO C[C@H]([NH2+]CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293643868 490275905 /nfs/dbraw/zinc/27/59/05/490275905.db2.gz IFUAASVMFJHWGT-VIFPVBQESA-N 1 0 249.314 2.628 20 5 BFBDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000348059847 536101161 /nfs/dbraw/zinc/10/11/61/536101161.db2.gz BQOXODRICBNQJP-CMPLNLGQSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897953269 584064105 /nfs/dbraw/zinc/06/41/05/584064105.db2.gz OETAVFPGCRLRSX-IACUBPJLSA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761087344 584909241 /nfs/dbraw/zinc/90/92/41/584909241.db2.gz FCJPCGWBYUGUHH-GBIKHYSHSA-N 1 0 232.283 2.750 20 5 BFBDRO C[C@@H](C1CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000782181631 585810128 /nfs/dbraw/zinc/81/01/28/585810128.db2.gz DECKBQMFZUJUIV-JTQLQIEISA-N 1 0 246.310 2.751 20 5 BFBDRO CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015890 589856046 /nfs/dbraw/zinc/85/60/46/589856046.db2.gz ADGZSEHKSICJGJ-MRVPVSSYSA-N 1 0 226.251 2.795 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C(C)C ZINC000873006881 589978948 /nfs/dbraw/zinc/97/89/48/589978948.db2.gz AJGSFSKTHUMYSX-UHFFFAOYSA-N 1 0 222.288 2.710 20 5 BFBDRO C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885967071 592117869 /nfs/dbraw/zinc/11/78/69/592117869.db2.gz GWWJAGQOIIPVKP-NSHDSACASA-N 1 0 249.314 2.612 20 5 BFBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886028834 592135302 /nfs/dbraw/zinc/13/53/02/592135302.db2.gz YHYIWUUAXNIYBM-WDEREUQCSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170097 592168259 /nfs/dbraw/zinc/16/82/59/592168259.db2.gz PHJMUYVRXSBERR-ZYHUDNBSSA-N 1 0 249.314 2.658 20 5 BFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000219154876 592211489 /nfs/dbraw/zinc/21/14/89/592211489.db2.gz KJIXIRPILBEPEG-AXFHLTTASA-N 1 0 234.299 2.901 20 5 BFBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000219154940 592211723 /nfs/dbraw/zinc/21/17/23/592211723.db2.gz KJIXIRPILBEPEG-HBNTYKKESA-N 1 0 234.299 2.901 20 5 BFBDRO Cc1ccc(C[N@H+](C)CCCF)cc1[N+](=O)[O-] ZINC000887142685 592459570 /nfs/dbraw/zinc/45/95/70/592459570.db2.gz WEVJEADNHNQCQC-UHFFFAOYSA-N 1 0 240.278 2.695 20 5 BFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(C)CC1 ZINC000309735234 632663066 /nfs/dbraw/zinc/66/30/66/632663066.db2.gz CDNIFNZISZVLIM-MRVPVSSYSA-N 1 0 240.328 2.935 20 5 BFBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930754524 634088406 /nfs/dbraw/zinc/08/84/06/634088406.db2.gz OYBSNMJCNOSVHC-CYBMUJFWSA-N 1 0 248.326 2.531 20 5 BFBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930754526 634089725 /nfs/dbraw/zinc/08/97/25/634089725.db2.gz OYBSNMJCNOSVHC-ZDUSSCGKSA-N 1 0 248.326 2.531 20 5 BFBDRO Cc1c(C[NH2+]CCC2CC2)cccc1[N+](=O)[O-] ZINC000088456913 636339897 /nfs/dbraw/zinc/33/98/97/636339897.db2.gz UHFPNXDVFPVPEI-UHFFFAOYSA-N 1 0 234.299 2.793 20 5 BFBDRO CC(C)[C@@H]1[N@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC000899887488 637149738 /nfs/dbraw/zinc/14/97/38/637149738.db2.gz UDBIRYCDUCKYSX-LBPRGKRZSA-N 1 0 240.347 2.554 20 5 BFBDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930923397 639990522 /nfs/dbraw/zinc/99/05/22/639990522.db2.gz PHMPEOQDDDYTBK-ZDUSSCGKSA-N 1 0 248.326 2.717 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174417799 641283483 /nfs/dbraw/zinc/28/34/83/641283483.db2.gz XNFVPLUJCALNBJ-VIFPVBQESA-N 1 0 238.262 2.718 20 5 BFBDRO Cc1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)cc1C ZINC000929698099 641404222 /nfs/dbraw/zinc/40/42/22/641404222.db2.gz ZFBOSWUPTCZXJS-UHFFFAOYSA-N 1 0 248.326 2.545 20 5 BFBDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594859 643531322 /nfs/dbraw/zinc/53/13/22/643531322.db2.gz AAHMAKXAJUQVJB-SECBINFHSA-N 1 0 249.314 2.628 20 5 BFBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000929702538 646259300 /nfs/dbraw/zinc/25/93/00/646259300.db2.gz HGWZOVNMXPNFFR-AWEZNQCLSA-N 1 0 248.326 2.799 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000929974224 646382476 /nfs/dbraw/zinc/38/24/76/646382476.db2.gz YELCGFNQWPOTQT-AWEZNQCLSA-N 1 0 248.326 2.784 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C=CCC2)cs1 ZINC000711751750 712324904 /nfs/dbraw/zinc/32/49/04/712324904.db2.gz SGQUBNRNFUAMBC-SECBINFHSA-N 1 0 238.312 2.712 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000711776549 712328146 /nfs/dbraw/zinc/32/81/46/712328146.db2.gz GSAHKOKIHIKLIE-LLVKDONJSA-N 1 0 232.283 2.651 20 5 BFBDRO Cc1c(C[NH2+][C@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000715262890 712514935 /nfs/dbraw/zinc/51/49/35/712514935.db2.gz UTDSDECOGIYZPA-LBPRGKRZSA-N 1 0 232.283 2.545 20 5 BFBDRO CCCC[C@@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005453 969329328 /nfs/dbraw/zinc/32/93/28/969329328.db2.gz UNWDHZXIOWBCLM-UTUOFQBUSA-N 1 0 228.336 2.600 20 5 BFBDRO CC(C)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220421 975070504 /nfs/dbraw/zinc/07/05/04/975070504.db2.gz AAQJXEIJHJQRJX-NSHDSACASA-N 1 0 236.315 2.866 20 5 BFBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)(C)C ZINC001347119467 980977694 /nfs/dbraw/zinc/97/76/94/980977694.db2.gz FPNOXKVTCQEIIV-UHFFFAOYSA-N 1 0 241.291 2.512 20 5 BFBDRO Cc1ccc(CO[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001222854015 972715569 /nfs/dbraw/zinc/71/55/69/972715569.db2.gz KEZKALRLFZKMMZ-AWEZNQCLSA-N 1 0 236.379 2.915 20 5 BFBDRO Cc1ccc([C@@H](C)OCCC[N+](C)(C)C)cn1 ZINC001224624583 973807425 /nfs/dbraw/zinc/80/74/25/973807425.db2.gz XRRMFNKMGKDJFB-CYBMUJFWSA-N 1 0 237.367 2.564 20 5 BFBDRO CCC[C@H](OCCC[N+](C)(C)C)C(C)C ZINC001224623824 973807815 /nfs/dbraw/zinc/80/78/15/973807815.db2.gz RNRHJVUBPKSZNN-ZDUSSCGKSA-N 1 0 216.389 2.924 20 5 BFBDRO CC[C@@H](OCCC[N+](C)(C)C)C(C)(C)C ZINC001224623980 973808361 /nfs/dbraw/zinc/80/83/61/973808361.db2.gz RSZUXXCOSQIDGS-GFCCVEGCSA-N 1 0 216.389 2.924 20 5 BFBDRO Cc1cc(Nc2cc(F)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001216480766 971095530 /nfs/dbraw/zinc/09/55/30/971095530.db2.gz LDFPEWKCRNPMDK-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)C)C2 ZINC001224771900 973936988 /nfs/dbraw/zinc/93/69/88/973936988.db2.gz UENVGQDBKCRQAX-NFAWXSAZSA-N 1 0 240.411 2.924 20 5 BFBDRO Cc1cccc2c1[C@@H](OCC[N+](C)(C)C)CC2 ZINC001224771628 973939251 /nfs/dbraw/zinc/93/92/51/973939251.db2.gz PPCYIDSBXZCKPF-AWEZNQCLSA-N 1 0 234.363 2.705 20 5 BFBDRO C[N+](C)(C)CCO[C@@H]1CCC=CCCC1 ZINC001224776200 973941303 /nfs/dbraw/zinc/94/13/03/973941303.db2.gz SNVUPLVKRRVHHE-CYBMUJFWSA-N 1 0 212.357 2.598 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[C@@H](OCC[N+](C)(C)C)C1 ZINC001224775818 973943445 /nfs/dbraw/zinc/94/34/45/973943445.db2.gz PRFVAWQWYRCPEX-UPJWGTAASA-N 1 0 214.373 2.534 20 5 BFBDRO [NH2+]=CNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001167869582 961370982 /nfs/dbraw/zinc/37/09/82/961370982.db2.gz XQNFXSGRQMWRGT-UHFFFAOYSA-N 1 0 233.149 2.633 20 5 BFBDRO CC[N+](C)(C)Cc1ccccc1NCC(F)F ZINC001161813531 964766449 /nfs/dbraw/zinc/76/64/49/964766449.db2.gz KVVOLGPWANXQOC-UHFFFAOYSA-N 1 0 243.321 2.960 20 5 BFBDRO C[C@@H]1CCC[C@H](OCCC[N+](C)(C)C)[C@@H]1C ZINC001224623452 964813415 /nfs/dbraw/zinc/81/34/15/964813415.db2.gz NNJQGJGAFLPMRL-MCIONIFRSA-N 1 0 228.400 2.924 20 5 BFBDRO C[N+](C)(C)CCO[C@@H]1CCCc2ccccc21 ZINC001224771185 964934604 /nfs/dbraw/zinc/93/46/04/964934604.db2.gz HWUFMGBWZMNITE-OAHLLOKOSA-N 1 0 234.363 2.787 20 5 BFBDRO CC(C)C([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977277 969294612 /nfs/dbraw/zinc/29/46/12/969294612.db2.gz JDTCAYDBJQFHCY-VXGBXAGGSA-N 1 0 242.363 2.702 20 5 BFBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168978134 969298057 /nfs/dbraw/zinc/29/80/57/969298057.db2.gz OPBQAFSZJMFVPT-LOWVWBTDSA-N 1 0 240.347 2.600 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168960058 969309165 /nfs/dbraw/zinc/30/91/65/969309165.db2.gz ZNJPVGYQWWQDTL-UONOGXRCSA-N 1 0 248.326 2.530 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168960056 969309510 /nfs/dbraw/zinc/30/95/10/969309510.db2.gz ZNJPVGYQWWQDTL-KGLIPLIRSA-N 1 0 248.326 2.530 20 5 BFBDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965319 969318955 /nfs/dbraw/zinc/31/89/55/969318955.db2.gz ZQEYAHMJFZCNMF-NDBYEHHHSA-N 1 0 240.347 2.600 20 5 BFBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169007405 969329825 /nfs/dbraw/zinc/32/98/25/969329825.db2.gz NJSMFIJCHNSOMZ-AAEUAGOBSA-N 1 0 240.347 2.696 20 5 BFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005714 969331740 /nfs/dbraw/zinc/33/17/40/969331740.db2.gz CIGKZEKPXPQJPD-ZIAGYGMSSA-N 1 0 248.326 2.564 20 5 BFBDRO CCC[N@H+](CC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009657 969332768 /nfs/dbraw/zinc/33/27/68/969332768.db2.gz WXHPVJKQQRCISU-OLZOCXBDSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169030271 969354396 /nfs/dbraw/zinc/35/43/96/969354396.db2.gz XTQBWTURNFPNJP-FDYHWXHSSA-N 1 0 240.347 2.552 20 5 BFBDRO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169038269 969357614 /nfs/dbraw/zinc/35/76/14/969357614.db2.gz XOIUVCQHBJJPIO-FDYHWXHSSA-N 1 0 240.347 2.552 20 5 BFBDRO C[N@H+](CC1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040106 969357665 /nfs/dbraw/zinc/35/76/65/969357665.db2.gz XXTZLBMVFDLCBP-CHWSQXEVSA-N 1 0 240.347 2.554 20 5 BFBDRO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037548 969358042 /nfs/dbraw/zinc/35/80/42/969358042.db2.gz SJKLXFLIPBSSHU-JHJVBQTASA-N 1 0 240.347 2.696 20 5 BFBDRO CCC(CC)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038983 969358760 /nfs/dbraw/zinc/35/87/60/969358760.db2.gz MDWQTJLUQRFOHM-JQWIXIFHSA-N 1 0 228.336 2.552 20 5 BFBDRO CCC(CC)[N@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039056 969358803 /nfs/dbraw/zinc/35/88/03/969358803.db2.gz MVOADQSAAJKUSL-WCQYABFASA-N 1 0 242.363 2.942 20 5 BFBDRO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047892 969364095 /nfs/dbraw/zinc/36/40/95/969364095.db2.gz SJKLXFLIPBSSHU-RWMBFGLXSA-N 1 0 240.347 2.696 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C1 ZINC001254553552 969738368 /nfs/dbraw/zinc/73/83/68/969738368.db2.gz XGYLBXPCRWPKAU-RYUDHWBXSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600854 969743660 /nfs/dbraw/zinc/74/36/60/969743660.db2.gz WANHCVKASVXBAZ-QMTHXVAHSA-N 1 0 246.310 2.546 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCCCC1)C2 ZINC001254600266 969743703 /nfs/dbraw/zinc/74/37/03/969743703.db2.gz RRUVAOVCTZIMHW-CQSZACIVSA-N 1 0 246.310 2.548 20 5 BFBDRO CC(C)C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598491 969746383 /nfs/dbraw/zinc/74/63/83/969746383.db2.gz JYLPVOLVGNLKFL-AWEZNQCLSA-N 1 0 248.326 2.650 20 5 BFBDRO C[C@H](C[N+](C)(C)C)O[C@@H]1CCc2ccccc21 ZINC001223420429 973056918 /nfs/dbraw/zinc/05/69/18/973056918.db2.gz LQRDHWXSZBFVOJ-IUODEOHRSA-N 1 0 234.363 2.785 20 5 BFBDRO CC[C@H](OCCC[N+](C)(C)C)C(C)C ZINC001224621229 973801570 /nfs/dbraw/zinc/80/15/70/973801570.db2.gz OHYYERZPVVPFNZ-LBPRGKRZSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@H]1CCC[C@H](C)C1OCCC[N+](C)(C)C ZINC001224622510 973804302 /nfs/dbraw/zinc/80/43/02/973804302.db2.gz GZCKXTVFCKFJOC-STQMWFEESA-N 1 0 228.400 2.924 20 5 BFBDRO C[C@@H](OCC[N+](C)(C)C)c1ccc(F)c(F)c1 ZINC001224773217 973935588 /nfs/dbraw/zinc/93/55/88/973935588.db2.gz GCGKBWDZYRMANM-SNVBAGLBSA-N 1 0 244.305 2.749 20 5 BFBDRO CC[C@@H]1CCCC[C@@H]1OCC[N+](C)(C)C ZINC001224771482 973935933 /nfs/dbraw/zinc/93/59/33/973935933.db2.gz NFCBFUYICNDDFI-OLZOCXBDSA-N 1 0 214.373 2.678 20 5 BFBDRO Cc1ccccc1[C@@H](C)OCC[N+](C)(C)C ZINC001224772591 973936110 /nfs/dbraw/zinc/93/61/10/973936110.db2.gz ATKWIWIGVVOFHK-CYBMUJFWSA-N 1 0 222.352 2.779 20 5 BFBDRO Cc1cccc(CCO[C@@H](C)C[N+](C)(C)C)c1 ZINC001224873451 974045310 /nfs/dbraw/zinc/04/53/10/974045310.db2.gz ZNIUKRXVRFJCQL-AWEZNQCLSA-N 1 0 236.379 2.649 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1 ZINC001225252788 974310528 /nfs/dbraw/zinc/31/05/28/974310528.db2.gz JNSWVXLPGSPCJL-JTQLQIEISA-N 1 0 228.743 2.814 20 5 BFBDRO C[C@@H]([NH2+]C1(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332230959 975019738 /nfs/dbraw/zinc/01/97/38/975019738.db2.gz HFTCJAPHQGCBIN-MRVPVSSYSA-N 1 0 238.262 2.937 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(O)c1Cl ZINC001226708757 975038240 /nfs/dbraw/zinc/03/82/40/975038240.db2.gz IYGFZKZXMXYUIX-VIFPVBQESA-O 1 0 244.742 2.519 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC1(C)C ZINC001173220189 975075369 /nfs/dbraw/zinc/07/53/69/975075369.db2.gz VPKUSXDTWRBWLU-MFKMUULPSA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC1 ZINC001173208664 975078181 /nfs/dbraw/zinc/07/81/81/975078181.db2.gz AFUQNKJAJNHQAA-SNVBAGLBSA-N 1 0 234.299 2.525 20 5 BFBDRO Cc1cc2c(ccnc2O[C@H](C)C[N+](C)(C)C)o1 ZINC001227092093 975265886 /nfs/dbraw/zinc/26/58/86/975265886.db2.gz RSMGDHGXKXSPGQ-LLVKDONJSA-N 1 0 249.334 2.610 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2[nH]ccc21 ZINC001228179936 975974279 /nfs/dbraw/zinc/97/42/79/975974279.db2.gz LSJDDLWFRPPGCA-LLVKDONJSA-N 1 0 233.335 2.641 20 5 BFBDRO CC(C)c1cccc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228318153 976098172 /nfs/dbraw/zinc/09/81/72/976098172.db2.gz HRRDGQURWOJKJM-GFCCVEGCSA-N 1 0 237.367 2.679 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cc[nH]c21 ZINC001228889944 976553556 /nfs/dbraw/zinc/55/35/56/976553556.db2.gz HCXVSBQJMKRZIM-LLVKDONJSA-N 1 0 233.335 2.641 20 5 BFBDRO C1=C(c2ccnc3c2ccc2cccnc23)C[NH2+]C1 ZINC001243112175 984580199 /nfs/dbraw/zinc/58/01/99/984580199.db2.gz VLWJFJCMJPPLAF-UHFFFAOYSA-N 1 0 247.301 2.770 20 5 BFBDRO C[C@H]1C[C@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326304727 989474221 /nfs/dbraw/zinc/47/42/21/989474221.db2.gz GHWRQMZQDQUTGN-ONGXEEELSA-N 1 0 232.283 2.566 20 5 BFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000037472361 342935656 /nfs/dbraw/zinc/93/56/56/342935656.db2.gz WJXQLDAAUIUUJU-SSDOTTSWSA-N 1 0 226.301 2.544 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000339585663 398332794 /nfs/dbraw/zinc/33/27/94/398332794.db2.gz YHVNRBQEXHGNOI-NWDGAFQWSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000339586948 398332806 /nfs/dbraw/zinc/33/28/06/398332806.db2.gz OALUYCIJRLHORD-NEPJUHHUSA-N 1 0 238.262 2.575 20 5 BFBDRO CCC([NH3+])(CC)CNc1ccccc1[N+](=O)[O-] ZINC000133491619 168417458 /nfs/dbraw/zinc/41/74/58/168417458.db2.gz SEQGKNCIXLGJPF-UHFFFAOYSA-N 1 0 237.303 2.524 20 5 BFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248331550 345106323 /nfs/dbraw/zinc/10/63/23/345106323.db2.gz DZEWYGRYBVKGDG-NEPJUHHUSA-N 1 0 248.326 2.868 20 5 BFBDRO CC(C)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910198 345572670 /nfs/dbraw/zinc/57/26/70/345572670.db2.gz LQCVGJHYZPEKNM-LLVKDONJSA-N 1 0 236.315 2.771 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000594985323 348165769 /nfs/dbraw/zinc/16/57/69/348165769.db2.gz VZTUZRJWSUXDCW-DOFRTFSJSA-N 1 0 238.312 2.544 20 5 BFBDRO CCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595297320 348216175 /nfs/dbraw/zinc/21/61/75/348216175.db2.gz RAIPHTAXIRYPLW-UHFFFAOYSA-N 1 0 226.251 2.576 20 5 BFBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595295973 348216218 /nfs/dbraw/zinc/21/62/18/348216218.db2.gz JAXBJGHOUYDWJI-UHFFFAOYSA-N 1 0 238.262 2.718 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595560052 348281212 /nfs/dbraw/zinc/28/12/12/348281212.db2.gz BUPJPHHHBJXLRT-JSGCOSHPSA-N 1 0 246.310 2.969 20 5 BFBDRO CC12CC(C1)C[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000595915785 348400531 /nfs/dbraw/zinc/40/05/31/348400531.db2.gz NSVWFQKFJXAPTR-UHFFFAOYSA-N 1 0 246.310 2.622 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(CC3CC3)C2)c1 ZINC000598678734 349021396 /nfs/dbraw/zinc/02/13/96/349021396.db2.gz RZLAWFVHBXAYNS-UHFFFAOYSA-N 1 0 246.310 2.827 20 5 BFBDRO C/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000599005238 349074498 /nfs/dbraw/zinc/07/44/98/349074498.db2.gz NSOHHFHHLWLLAR-ONEGZZNKSA-N 1 0 220.272 2.569 20 5 BFBDRO C/C=C/C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080633 349096050 /nfs/dbraw/zinc/09/60/50/349096050.db2.gz ICKLAKYJKJQRAR-JDGPPOGSSA-N 1 0 232.283 2.748 20 5 BFBDRO CC(C)=CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191625999 538038683 /nfs/dbraw/zinc/03/86/83/538038683.db2.gz MRBXDAATZYZMQE-UHFFFAOYSA-N 1 0 234.299 2.959 20 5 BFBDRO Cc1c[nH+]ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000070489665 350015078 /nfs/dbraw/zinc/01/50/78/350015078.db2.gz KBVKNIHAAAEFAI-UHFFFAOYSA-N 1 0 243.266 2.910 20 5 BFBDRO CC(C)[C@@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000342863167 350816878 /nfs/dbraw/zinc/81/68/78/350816878.db2.gz VXRHEBWXCLDUAE-ZDUSSCGKSA-N 1 0 234.299 2.825 20 5 BFBDRO CC1(C)C[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000045117830 188153137 /nfs/dbraw/zinc/15/31/37/188153137.db2.gz FZNFBEXGWJKGIV-QMMMGPOBSA-N 1 0 226.301 2.544 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)C ZINC000349975708 355555079 /nfs/dbraw/zinc/55/50/79/355555079.db2.gz YQBJHDYMIBUOOR-UHFFFAOYSA-N 1 0 236.315 2.991 20 5 BFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000420271493 192197755 /nfs/dbraw/zinc/19/77/55/192197755.db2.gz CRZCYYKKRVURJD-WDEREUQCSA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2CC2)cc1 ZINC000088457699 356710988 /nfs/dbraw/zinc/71/09/88/356710988.db2.gz PBVIJMIPEAUMJH-UHFFFAOYSA-N 1 0 234.299 2.527 20 5 BFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(C)CC1 ZINC000583290228 357849857 /nfs/dbraw/zinc/84/98/57/357849857.db2.gz NYSCLIKRHGMJOH-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO CC1(C)CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000433302480 201179940 /nfs/dbraw/zinc/17/99/40/201179940.db2.gz IMOXEUOFFWKZDQ-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000349975004 370842423 /nfs/dbraw/zinc/84/24/23/370842423.db2.gz NDSHEWQMTYWTSU-RYUDHWBXSA-N 1 0 248.326 2.991 20 5 BFBDRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677206 367705980 /nfs/dbraw/zinc/70/59/80/367705980.db2.gz UCGYAFYINULUGW-OASPWFOLSA-N 1 0 246.310 2.970 20 5 BFBDRO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236223005 181448240 /nfs/dbraw/zinc/44/82/40/181448240.db2.gz UCGVYBQYFPZFLF-ZDUSSCGKSA-N 1 0 249.314 2.524 20 5 BFBDRO CC(C)[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077897067 370493249 /nfs/dbraw/zinc/49/32/49/370493249.db2.gz VWAAFAISMXTUSI-NSHDSACASA-N 1 0 236.315 2.977 20 5 BFBDRO CC(C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282574210 371485323 /nfs/dbraw/zinc/48/53/23/371485323.db2.gz ZYUHMCWVCMKALQ-UHFFFAOYSA-N 1 0 236.315 2.725 20 5 BFBDRO C[C@@H]1C[C@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415669 371630222 /nfs/dbraw/zinc/63/02/22/371630222.db2.gz OPFJKWKNLFZJDX-PWSUYJOCSA-N 1 0 246.310 2.609 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC=CCC1 ZINC000076770885 182949559 /nfs/dbraw/zinc/94/95/59/182949559.db2.gz GHNBLHHESYNTSZ-GFCCVEGCSA-N 1 0 232.283 2.793 20 5 BFBDRO CCC[N@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338935280 169130051 /nfs/dbraw/zinc/13/00/51/169130051.db2.gz WYHZYBVWIHFRRI-UHFFFAOYSA-N 1 0 238.287 2.532 20 5 BFBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171679626 169177884 /nfs/dbraw/zinc/17/78/84/169177884.db2.gz VTRBQBLDUPIMMA-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020084338 169286948 /nfs/dbraw/zinc/28/69/48/169286948.db2.gz IYBLEHBYUCQQAK-SECBINFHSA-N 1 0 208.261 2.655 20 5 BFBDRO CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963262 169268495 /nfs/dbraw/zinc/26/84/95/169268495.db2.gz BNUUFPGYEZMFRD-UHFFFAOYSA-N 1 0 228.679 2.748 20 5 BFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111298490 383850326 /nfs/dbraw/zinc/85/03/26/383850326.db2.gz HOJOCXKWHJLXKZ-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO C[C@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000339498889 383991911 /nfs/dbraw/zinc/99/19/11/383991911.db2.gz TVOWFIGJXBAGGH-QMMMGPOBSA-N 1 0 244.241 2.572 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000310553171 384193229 /nfs/dbraw/zinc/19/32/29/384193229.db2.gz XEDUXECRLFODIN-SCVCMEIPSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@H]1C[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000573018278 384230239 /nfs/dbraw/zinc/23/02/39/384230239.db2.gz IAJJYKMJLNTHMD-WCQYABFASA-N 1 0 248.326 2.725 20 5 BFBDRO C[C@@H]1C[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000573018277 384231048 /nfs/dbraw/zinc/23/10/48/384231048.db2.gz IAJJYKMJLNTHMD-DGCLKSJQSA-N 1 0 248.326 2.725 20 5 BFBDRO C[C@H]([NH2+]CCCF)c1ccc([N+](=O)[O-])cc1 ZINC000127005769 384239277 /nfs/dbraw/zinc/23/92/77/384239277.db2.gz ZHOQXZQLCIQAQJ-VIFPVBQESA-N 1 0 226.251 2.605 20 5 BFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000075841424 384341347 /nfs/dbraw/zinc/34/13/47/384341347.db2.gz WGLVLAOPVCRCJY-UHFFFAOYSA-N 1 0 234.299 2.622 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC=CCC2)cs1 ZINC000080122459 384452131 /nfs/dbraw/zinc/45/21/31/384452131.db2.gz NPNCHCSEAXHPEL-SNVBAGLBSA-N 1 0 238.312 2.855 20 5 BFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000564928931 384583180 /nfs/dbraw/zinc/58/31/80/384583180.db2.gz LFCHLXKBCMBXJE-UHFFFAOYSA-N 1 0 222.288 2.825 20 5 BFBDRO C[C@H]([NH2+]C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000044481771 384745988 /nfs/dbraw/zinc/74/59/88/384745988.db2.gz FVHXRWKBESLERG-VIFPVBQESA-N 1 0 220.272 2.798 20 5 BFBDRO C[C@@H]([NH2+]CCCF)c1ccccc1[N+](=O)[O-] ZINC000127010157 384851793 /nfs/dbraw/zinc/85/17/93/384851793.db2.gz HFQIIVMOUAPYOC-SECBINFHSA-N 1 0 226.251 2.605 20 5 BFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccco1 ZINC000062726226 385125323 /nfs/dbraw/zinc/12/53/23/385125323.db2.gz SBVGNNBTJIHTTG-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000321767156 385621621 /nfs/dbraw/zinc/62/16/21/385621621.db2.gz DSVPNMLUFPWAQB-GBIKHYSHSA-N 1 0 234.299 2.729 20 5 BFBDRO CC(C)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000292969242 385729771 /nfs/dbraw/zinc/72/97/71/385729771.db2.gz KCYKAIUOBWZGQB-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H](CF)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342209014 385872654 /nfs/dbraw/zinc/87/26/54/385872654.db2.gz WFTGIJFTNOJLQL-OAQKJQOQSA-N 1 0 238.262 2.556 20 5 BFBDRO Cc1ccc(C[NH2+]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000339493447 386445978 /nfs/dbraw/zinc/44/59/78/386445978.db2.gz HLZYIMQCCHPAMA-JTQLQIEISA-N 1 0 240.278 2.741 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957885 386759441 /nfs/dbraw/zinc/75/94/41/386759441.db2.gz YVTFAPQXMAMHDT-PRHODGIISA-N 1 0 249.314 2.626 20 5 BFBDRO CC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726132 387122409 /nfs/dbraw/zinc/12/24/09/387122409.db2.gz FFMXFLPWPCHTSN-SNVBAGLBSA-N 1 0 222.288 2.525 20 5 BFBDRO CC[C@H](F)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000440593009 387363922 /nfs/dbraw/zinc/36/39/22/387363922.db2.gz BGOVQQSDGKIATC-ONGXEEELSA-N 1 0 240.278 2.994 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000152624853 387344067 /nfs/dbraw/zinc/34/40/67/387344067.db2.gz BLNQYYWWWUJUSY-CHWSQXEVSA-N 1 0 246.310 2.827 20 5 BFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271446859 388389773 /nfs/dbraw/zinc/38/97/73/388389773.db2.gz FTAKNRZSVPPMAD-CQSZACIVSA-N 1 0 248.326 2.916 20 5 BFBDRO Cc1ccc([C@H](C)[NH2+]CCF)cc1[N+](=O)[O-] ZINC000271772249 388403413 /nfs/dbraw/zinc/40/34/13/388403413.db2.gz JBDKBAVVSPNMJB-VIFPVBQESA-N 1 0 226.251 2.523 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC=CCC1 ZINC000076770882 388444002 /nfs/dbraw/zinc/44/40/02/388444002.db2.gz GHNBLHHESYNTSZ-LBPRGKRZSA-N 1 0 232.283 2.793 20 5 BFBDRO C[N@H+](CCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000173471387 388423474 /nfs/dbraw/zinc/42/34/74/388423474.db2.gz LCHWMBAQMOIKTD-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449430792 388749605 /nfs/dbraw/zinc/74/96/05/388749605.db2.gz YLYJVZXJEXLBKF-AWEZNQCLSA-N 1 0 246.310 2.888 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424190772 388694807 /nfs/dbraw/zinc/69/48/07/388694807.db2.gz GLSFRZIDLOJCSN-QWHCGFSZSA-N 1 0 246.310 2.873 20 5 BFBDRO Cc1ccc(C[NH2+]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000080273151 388708866 /nfs/dbraw/zinc/70/88/66/388708866.db2.gz PVPVZEUTQNKGRD-UHFFFAOYSA-N 1 0 234.299 2.791 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426455013 388710663 /nfs/dbraw/zinc/71/06/63/388710663.db2.gz SAVZFWBSWSVFEP-WCQYABFASA-N 1 0 246.310 2.969 20 5 BFBDRO CSCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000068994768 388719142 /nfs/dbraw/zinc/71/91/42/388719142.db2.gz UPDUUPMPPDEWMM-VIFPVBQESA-N 1 0 240.328 2.608 20 5 BFBDRO CC1=C[C@H](C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000430267479 388727537 /nfs/dbraw/zinc/72/75/37/388727537.db2.gz FYLXBHPDGDBZEX-NSHDSACASA-N 1 0 246.310 2.993 20 5 BFBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000070014750 388727706 /nfs/dbraw/zinc/72/77/06/388727706.db2.gz IRPMLRPIBFSSSD-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO CC1=C[C@@H](C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000430267478 388727823 /nfs/dbraw/zinc/72/78/23/388727823.db2.gz FYLXBHPDGDBZEX-LLVKDONJSA-N 1 0 246.310 2.993 20 5 BFBDRO Cc1c([C@@H](C)[NH2+]CCF)cccc1[N+](=O)[O-] ZINC000280887014 388787198 /nfs/dbraw/zinc/78/71/98/388787198.db2.gz BIDHDEPLVDISFM-SECBINFHSA-N 1 0 226.251 2.523 20 5 BFBDRO CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000040492693 322832683 /nfs/dbraw/zinc/83/26/83/322832683.db2.gz CAIRMMVKINDVLY-UHFFFAOYSA-N 1 0 222.288 2.731 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000336055585 134066269 /nfs/dbraw/zinc/06/62/69/134066269.db2.gz UMMGXHVLLXKZNN-AOOOYVTPSA-N 1 0 220.272 2.578 20 5 BFBDRO Cc1c[nH+]ccc1NCc1ccccc1[N+](=O)[O-] ZINC000070489649 134920327 /nfs/dbraw/zinc/92/03/27/134920327.db2.gz KKYRDWQVWQQDDG-UHFFFAOYSA-N 1 0 243.266 2.910 20 5 BFBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089108353 135529626 /nfs/dbraw/zinc/52/96/26/135529626.db2.gz XOUFWFPAZVQRRB-GHMZBOCLSA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348086367 136034743 /nfs/dbraw/zinc/03/47/43/136034743.db2.gz YVSIFOOASPYODV-QWHCGFSZSA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@@H](CC1CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000070101184 410439142 /nfs/dbraw/zinc/43/91/42/410439142.db2.gz BRFUHJPOBSJLGG-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H](CC1CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000070101185 410440398 /nfs/dbraw/zinc/44/03/98/410440398.db2.gz BRFUHJPOBSJLGG-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176776 167013936 /nfs/dbraw/zinc/01/39/36/167013936.db2.gz ATFGPUSGSFOCEP-SNVBAGLBSA-N 1 0 222.288 2.901 20 5 BFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000290197054 167937342 /nfs/dbraw/zinc/93/73/42/167937342.db2.gz UHEVJEXGYONBKM-VIFPVBQESA-N 1 0 240.328 2.935 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC2)c(Cl)c1 ZINC000052209374 411399827 /nfs/dbraw/zinc/39/98/27/411399827.db2.gz AWINPNSTROHYIK-UHFFFAOYSA-N 1 0 240.690 2.890 20 5 BFBDRO CC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000125454972 171014286 /nfs/dbraw/zinc/01/42/86/171014286.db2.gz MEUFGTFRYROACX-SECBINFHSA-N 1 0 240.328 2.888 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000068450382 171307339 /nfs/dbraw/zinc/30/73/39/171307339.db2.gz VXYXKZRGDKJUQL-JTQLQIEISA-N 1 0 222.288 2.825 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000035733563 175883624 /nfs/dbraw/zinc/88/36/24/175883624.db2.gz XWVNSULAEQVONM-SNVBAGLBSA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000037668357 175898781 /nfs/dbraw/zinc/89/87/81/175898781.db2.gz WXNGTKCYURJANX-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293448269 176019103 /nfs/dbraw/zinc/01/91/03/176019103.db2.gz PDCWKASPPDSSNQ-VWYCJHECSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000338356639 176097648 /nfs/dbraw/zinc/09/76/48/176097648.db2.gz XSQYJJVGWZOFOO-GFCCVEGCSA-N 1 0 248.326 2.869 20 5 BFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000071205910 176132086 /nfs/dbraw/zinc/13/20/86/176132086.db2.gz WNXNNWKDLUFWAK-MFKMUULPSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000071205904 176150909 /nfs/dbraw/zinc/15/09/09/176150909.db2.gz BARKSIDVUZVMAT-ZWNOBZJWSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C1 ZINC000266555426 176179828 /nfs/dbraw/zinc/17/98/28/176179828.db2.gz VRRZVOQMWNXRKG-GHMZBOCLSA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123328577 176199536 /nfs/dbraw/zinc/19/95/36/176199536.db2.gz DKLPPWVMCWWYRK-GHMZBOCLSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000123275797 176200223 /nfs/dbraw/zinc/20/02/23/176200223.db2.gz XZBXISMYOGXITK-GHMZBOCLSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310263979 176237023 /nfs/dbraw/zinc/23/70/23/176237023.db2.gz IEEWJCBQPDDBGZ-PRHODGIISA-N 1 0 238.262 2.622 20 5 BFBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135457309 176863094 /nfs/dbraw/zinc/86/30/94/176863094.db2.gz BXCDGXKQFMFASN-NHCYSSNCSA-N 1 0 234.299 2.901 20 5 BFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000071205911 177126374 /nfs/dbraw/zinc/12/63/74/177126374.db2.gz WNXNNWKDLUFWAK-GWCFXTLKSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774383 177163065 /nfs/dbraw/zinc/16/30/65/177163065.db2.gz RNFJOBMTYJGSSL-VIFPVBQESA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248366877 177164394 /nfs/dbraw/zinc/16/43/94/177164394.db2.gz SQMKDMDRSGMRQA-QWRGUYRKSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123060945 177187878 /nfs/dbraw/zinc/18/78/78/177187878.db2.gz GPNXUPSVVXIUEY-PHIMTYICSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310263980 177207270 /nfs/dbraw/zinc/20/72/70/177207270.db2.gz IEEWJCBQPDDBGZ-QPUJVOFHSA-N 1 0 238.262 2.622 20 5 BFBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000570462605 323060056 /nfs/dbraw/zinc/06/00/56/323060056.db2.gz IPZUHLFFDRRHLG-RNCFNFMXSA-N 1 0 246.310 2.970 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCC1CC1 ZINC000130622606 325074373 /nfs/dbraw/zinc/07/43/73/325074373.db2.gz WGSRXFIQEDENAS-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000348059849 535823675 /nfs/dbraw/zinc/82/36/75/535823675.db2.gz BQOXODRICBNQJP-PWSUYJOCSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000897953662 584063953 /nfs/dbraw/zinc/06/39/53/584063953.db2.gz RIWUYBIEPLJLGS-KWCYVHTRSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897953266 584063968 /nfs/dbraw/zinc/06/39/68/584063968.db2.gz ODYRISSVTHIUET-RAIGVLPGSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897953267 584064100 /nfs/dbraw/zinc/06/41/00/584064100.db2.gz ODYRISSVTHIUET-WCFLWFBJSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000897953663 584064293 /nfs/dbraw/zinc/06/42/93/584064293.db2.gz RIWUYBIEPLJLGS-MRVWCRGKSA-N 1 0 246.310 2.873 20 5 BFBDRO Cc1ccccc1[C@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000791053834 585973137 /nfs/dbraw/zinc/97/31/37/585973137.db2.gz HYTKAUAOXVXGJH-CYBMUJFWSA-N 1 0 236.315 2.558 20 5 BFBDRO CC/C=C\C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877738 587769043 /nfs/dbraw/zinc/76/90/43/587769043.db2.gz VFDQHWNUIZGTQC-LWTINBJPSA-N 1 0 249.314 2.794 20 5 BFBDRO CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873006398 589978974 /nfs/dbraw/zinc/97/89/74/589978974.db2.gz GTVIXXMCFXTMFA-UHFFFAOYSA-N 1 0 222.288 2.711 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CF ZINC000873128449 589985489 /nfs/dbraw/zinc/98/54/89/589985489.db2.gz OZEONSMLALKFTP-VIFPVBQESA-N 1 0 240.278 2.659 20 5 BFBDRO C/C=C/C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873148767 589986709 /nfs/dbraw/zinc/98/67/09/589986709.db2.gz PMOHABFFZKYKEI-SNAWJCMRSA-N 1 0 234.299 2.877 20 5 BFBDRO CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131033873 591543198 /nfs/dbraw/zinc/54/31/98/591543198.db2.gz FNNZZPWONMBCML-UHFFFAOYSA-N 1 0 228.679 2.700 20 5 BFBDRO CCCC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885953711 592113854 /nfs/dbraw/zinc/11/38/54/592113854.db2.gz DHDLSPHZUSGYDZ-UHFFFAOYSA-N 1 0 249.314 2.754 20 5 BFBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886019585 592132977 /nfs/dbraw/zinc/13/29/77/592132977.db2.gz XFCPDTZIENLUCF-WDEREUQCSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028833 592135217 /nfs/dbraw/zinc/13/52/17/592135217.db2.gz YHYIWUUAXNIYBM-QWRGUYRKSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886027043 592135254 /nfs/dbraw/zinc/13/52/54/592135254.db2.gz BPGHVJFCUMJDKH-CMPLNLGQSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886027047 592135297 /nfs/dbraw/zinc/13/52/97/592135297.db2.gz BPGHVJFCUMJDKH-ZYHUDNBSSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170096 592168637 /nfs/dbraw/zinc/16/86/37/592168637.db2.gz PHJMUYVRXSBERR-PWSUYJOCSA-N 1 0 249.314 2.658 20 5 BFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC12CCC2 ZINC000886173101 592169741 /nfs/dbraw/zinc/16/97/41/592169741.db2.gz GSOPCIVFPYROAK-UHFFFAOYSA-N 1 0 247.298 2.508 20 5 BFBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886247184 592185606 /nfs/dbraw/zinc/18/56/06/592185606.db2.gz JTYMXZJMUWECKA-JTQLQIEISA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886251354 592186556 /nfs/dbraw/zinc/18/65/56/592186556.db2.gz ATSMXOQMIVTQQF-GHMZBOCLSA-N 1 0 249.314 2.610 20 5 BFBDRO Cc1c(C[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000035648822 639794715 /nfs/dbraw/zinc/79/47/15/639794715.db2.gz UEZNXQGCBYKVKX-UHFFFAOYSA-N 1 0 222.288 2.791 20 5 BFBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1cc(C)ccc1C ZINC000931262248 640121009 /nfs/dbraw/zinc/12/10/09/640121009.db2.gz PGAUJWIKXQHECO-ZDUSSCGKSA-N 1 0 236.315 2.621 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCF)cc1Cl ZINC000185303749 643287908 /nfs/dbraw/zinc/28/79/08/643287908.db2.gz KJPWJZJLBRNBQZ-UHFFFAOYSA-N 1 0 246.669 2.697 20 5 BFBDRO CC[C@H](C)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929222901 643600967 /nfs/dbraw/zinc/60/09/67/643600967.db2.gz NKGOKVZXIRSFCA-LBPRGKRZSA-N 1 0 236.315 2.564 20 5 BFBDRO CC(C)CC[N@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000929401673 646110404 /nfs/dbraw/zinc/11/04/04/646110404.db2.gz JQKWNSCFKMUIMA-UHFFFAOYSA-N 1 0 228.336 2.554 20 5 BFBDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976760 969296130 /nfs/dbraw/zinc/29/61/30/969296130.db2.gz GGHARJARYHQIRG-WUHRBBMRSA-N 1 0 242.363 2.846 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996041 969327219 /nfs/dbraw/zinc/32/72/19/969327219.db2.gz UJQZMZHMAINMAU-WUHRBBMRSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@H]1CCCC[C@@H]1OCCC[N+](C)(C)C ZINC001224623358 973805373 /nfs/dbraw/zinc/80/53/73/973805373.db2.gz MVJXXDMAYFBVOA-STQMWFEESA-N 1 0 214.373 2.678 20 5 BFBDRO CC1CCC(OCCC[N+](C)(C)C)CC1 ZINC001224622458 973804221 /nfs/dbraw/zinc/80/42/21/973804221.db2.gz GNJIYJDLQJVOCT-UHFFFAOYSA-N 1 0 214.373 2.678 20 5 BFBDRO CCCCCCO[C@H](C)C[N+](C)(C)C ZINC001224670244 973844304 /nfs/dbraw/zinc/84/43/04/973844304.db2.gz RSRBGBBTNXUVGQ-GFCCVEGCSA-N 1 0 202.362 2.678 20 5 BFBDRO CCCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224670245 973845418 /nfs/dbraw/zinc/84/54/18/973845418.db2.gz RSRBGBBTNXUVGQ-LBPRGKRZSA-N 1 0 202.362 2.678 20 5 BFBDRO C[C@@H](OCC[N+](C)(C)C)c1cccs1 ZINC001224772220 973938863 /nfs/dbraw/zinc/93/88/63/973938863.db2.gz XEHKJIOVEDXYHM-SNVBAGLBSA-N 1 0 214.354 2.532 20 5 BFBDRO CC[C@H]1CC[C@H](OCC[N+](C)(C)C)CC1 ZINC001224772704 973939117 /nfs/dbraw/zinc/93/91/17/973939117.db2.gz BVUFRULDPATVED-JOCQHMNTSA-N 1 0 214.373 2.678 20 5 BFBDRO CCC1CCC(OCC[N+](C)(C)C)CC1 ZINC001224772707 973938064 /nfs/dbraw/zinc/93/80/64/973938064.db2.gz BVUFRULDPATVED-UHFFFAOYSA-N 1 0 214.373 2.678 20 5 BFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1F ZINC001225775200 962820301 /nfs/dbraw/zinc/82/03/01/962820301.db2.gz QNJUHANPIWUFQM-LLVKDONJSA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ccncc21 ZINC001226612904 963261565 /nfs/dbraw/zinc/26/15/65/963261565.db2.gz HRPKAWCQPRIMMS-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ncccc21 ZINC001226658970 963274824 /nfs/dbraw/zinc/27/48/24/963274824.db2.gz LULXBRQPPMXKHZ-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO CC(C)C1CCC(OCC[N+](C)(C)C)CC1 ZINC001224772777 964936392 /nfs/dbraw/zinc/93/63/92/964936392.db2.gz CHIBZGYBLAMONN-UHFFFAOYSA-N 1 0 228.400 2.924 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OCC1Cc2ccccc2C1 ZINC001224803117 964959644 /nfs/dbraw/zinc/95/96/44/964959644.db2.gz OWJFUQXEKHOWOX-CYBMUJFWSA-N 1 0 248.390 2.513 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OCCCc1ccccc1 ZINC001205120862 965874186 /nfs/dbraw/zinc/87/41/86/965874186.db2.gz LYJYKJFYELRNPV-CQSZACIVSA-N 1 0 236.379 2.731 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OCCCc1ccccc1 ZINC001205120861 965874686 /nfs/dbraw/zinc/87/46/86/965874686.db2.gz LYJYKJFYELRNPV-AWEZNQCLSA-N 1 0 236.379 2.731 20 5 BFBDRO CC1(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CCC1 ZINC001164031902 968158270 /nfs/dbraw/zinc/15/82/70/968158270.db2.gz FGGQFMWEMBAKTF-UHFFFAOYSA-N 1 0 247.298 2.553 20 5 BFBDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976761 969294551 /nfs/dbraw/zinc/29/45/51/969294551.db2.gz GGHARJARYHQIRG-ZDEQEGDKSA-N 1 0 242.363 2.846 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168978131 969298578 /nfs/dbraw/zinc/29/85/78/969298578.db2.gz OPBQAFSZJMFVPT-DMDPSCGWSA-N 1 0 240.347 2.600 20 5 BFBDRO CC1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168959173 969308955 /nfs/dbraw/zinc/30/89/55/969308955.db2.gz UJQZMZHMAINMAU-POOIEITISA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959947 969310950 /nfs/dbraw/zinc/31/09/50/969310950.db2.gz YFELKKKOZVLYOS-NDBYEHHHSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996040 969325770 /nfs/dbraw/zinc/32/57/70/969325770.db2.gz UJQZMZHMAINMAU-RVMXOQNASA-N 1 0 240.347 2.600 20 5 BFBDRO CC1(C)CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996509 969326338 /nfs/dbraw/zinc/32/63/38/969326338.db2.gz VKEXYQMLUCVKPK-SRVKXCTJSA-N 1 0 240.347 2.600 20 5 BFBDRO CCCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005451 969331075 /nfs/dbraw/zinc/33/10/75/969331075.db2.gz UNWDHZXIOWBCLM-GRYCIOLGSA-N 1 0 228.336 2.600 20 5 BFBDRO CCC1(CC)CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC001169301484 969571963 /nfs/dbraw/zinc/57/19/63/969571963.db2.gz UJNWAPHGIQKWGH-UHFFFAOYSA-N 1 0 228.336 2.555 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC1 ZINC001254551029 969738136 /nfs/dbraw/zinc/73/81/36/969738136.db2.gz WAAJDFWWCUVTAF-LLVKDONJSA-N 1 0 248.326 2.868 20 5 BFBDRO CCCC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597844 969744928 /nfs/dbraw/zinc/74/49/28/969744928.db2.gz IDGVDGWXTANYMQ-CQSZACIVSA-N 1 0 248.326 2.794 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600855 969745161 /nfs/dbraw/zinc/74/51/61/969745161.db2.gz WANHCVKASVXBAZ-YGRLFVJLSA-N 1 0 246.310 2.546 20 5 BFBDRO Cc1cc(C)cc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001222774115 972690666 /nfs/dbraw/zinc/69/06/66/972690666.db2.gz CJXCOFVDNIXCJP-AWEZNQCLSA-N 1 0 236.379 2.915 20 5 BFBDRO C[N+](C)(C)CCCO[C@@H]1CCc2ccccc21 ZINC001224619684 973802387 /nfs/dbraw/zinc/80/23/87/973802387.db2.gz QBEPMBXQUIXVLO-OAHLLOKOSA-N 1 0 234.363 2.787 20 5 BFBDRO C[C@@H]1CCCC[C@H]1OCCC[N+](C)(C)C ZINC001224623344 973805094 /nfs/dbraw/zinc/80/50/94/973805094.db2.gz MVJXXDMAYFBVOA-CHWSQXEVSA-N 1 0 214.373 2.678 20 5 BFBDRO CC[C@@H](C)[C@@H](C)OCCC[N+](C)(C)C ZINC001224622087 973805467 /nfs/dbraw/zinc/80/54/67/973805467.db2.gz FTIZGDHLSOHVOM-VXGBXAGGSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OC/C=C/c1ccccc1 ZINC001224679154 973853388 /nfs/dbraw/zinc/85/33/88/973853388.db2.gz CBSXXUMTMLCERO-BMGYJQCNSA-N 1 0 234.363 2.811 20 5 BFBDRO CCC[C@@H](OCC[N+](C)(C)C)C(C)(C)C ZINC001224776042 973940341 /nfs/dbraw/zinc/94/03/41/973940341.db2.gz RNPPPRZUUAJHOK-GFCCVEGCSA-N 1 0 216.389 2.924 20 5 BFBDRO Cc1cc(F)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225346713 974424934 /nfs/dbraw/zinc/42/49/34/974424934.db2.gz WROUOJUARIWTOL-NSHDSACASA-N 1 0 226.315 2.608 20 5 BFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(F)c1F ZINC001225943806 974739238 /nfs/dbraw/zinc/73/92/38/974739238.db2.gz BXOMCKGIYMIXKC-SNVBAGLBSA-N 1 0 244.305 2.747 20 5 BFBDRO CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896261 974963641 /nfs/dbraw/zinc/96/36/41/974963641.db2.gz CDHXNSBMBSQUNN-ZDUSSCGKSA-N 1 0 248.326 2.842 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(C)C1 ZINC001173226457 975074287 /nfs/dbraw/zinc/07/42/87/975074287.db2.gz LSTZDZCGUWSDBQ-NSHDSACASA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C12CC(C1)C2 ZINC001173212962 975076036 /nfs/dbraw/zinc/07/60/36/975076036.db2.gz DLAHWLNXVNNCHI-PWQPVHBWSA-N 1 0 246.310 2.668 20 5 BFBDRO CC[NH+](CC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230615 975076787 /nfs/dbraw/zinc/07/67/87/975076787.db2.gz ZCRDSGFTKXYARL-NSHDSACASA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC1 ZINC001173208663 975078502 /nfs/dbraw/zinc/07/85/02/975078502.db2.gz AFUQNKJAJNHQAA-JTQLQIEISA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)C1 ZINC001173211284 975078755 /nfs/dbraw/zinc/07/87/55/975078755.db2.gz RGROIECEYRSIEO-QWKFWESOSA-N 1 0 248.326 2.914 20 5 BFBDRO CCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001228250650 976018615 /nfs/dbraw/zinc/01/86/15/976018615.db2.gz DXYOWBOTYMHTET-GFCCVEGCSA-N 1 0 222.352 2.723 20 5 BFBDRO Cc1nc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2o1 ZINC001228334245 976127418 /nfs/dbraw/zinc/12/74/18/976127418.db2.gz DPXZJYOLZDPZGL-JTQLQIEISA-N 1 0 249.334 2.610 20 5 BFBDRO C=Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001230448205 977213553 /nfs/dbraw/zinc/21/35/53/977213553.db2.gz KNQVFZYXDLNHIH-LBPRGKRZSA-N 1 0 220.336 2.803 20 5 BFBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CCC3)nc12 ZINC001232219755 977944008 /nfs/dbraw/zinc/94/40/08/977944008.db2.gz ULVWPUYSQYJRCM-UHFFFAOYSA-N 1 0 249.317 2.989 20 5 BFBDRO Cc1ncc(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001233932309 978734240 /nfs/dbraw/zinc/73/42/40/978734240.db2.gz QQQXXHKXSQSNIS-VIFPVBQESA-N 1 0 243.758 2.517 20 5 BFBDRO C1=C(c2ccc3ccc4cccnc4c3n2)C[NH2+]C1 ZINC001243108600 984557896 /nfs/dbraw/zinc/55/78/96/984557896.db2.gz UITRSSKYIXNXCL-UHFFFAOYSA-N 1 0 247.301 2.770 20 5 BFBDRO C[C@H]1C[C@@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326304722 989477769 /nfs/dbraw/zinc/47/77/69/989477769.db2.gz GHWRQMZQDQUTGN-GXSJLCMTSA-N 1 0 232.283 2.566 20 5 BFBDRO CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001261890779 992563813 /nfs/dbraw/zinc/56/38/13/992563813.db2.gz ONEUCQNZWBJNQC-MRVPVSSYSA-N 1 0 240.328 2.987 20 5 BFBDRO CCCCC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC001307617496 995418343 /nfs/dbraw/zinc/41/83/43/995418343.db2.gz ROMMYERHCMHOCP-LLVKDONJSA-N 1 0 230.352 2.848 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000133826288 398163403 /nfs/dbraw/zinc/16/34/03/398163403.db2.gz BXMZLWUZJFSOIK-PWSUYJOCSA-N 1 0 234.299 2.649 20 5 BFBDRO Cc1cc(NCCF)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280493382 178159497 /nfs/dbraw/zinc/15/94/97/178159497.db2.gz BJRJJSYNZYZCHY-UHFFFAOYSA-N 1 0 249.245 2.833 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CC1 ZINC000183292596 178271663 /nfs/dbraw/zinc/27/16/63/178271663.db2.gz UPUAYAXHACFPPM-UHFFFAOYSA-N 1 0 234.299 2.745 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H](C)F ZINC000339492211 178271792 /nfs/dbraw/zinc/27/17/92/178271792.db2.gz DPLRCFVHZZHCGY-JTQLQIEISA-N 1 0 240.278 2.741 20 5 BFBDRO C[C@H]([NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020086306 398304243 /nfs/dbraw/zinc/30/42/43/398304243.db2.gz NVULYYMTDNOZSS-VIFPVBQESA-N 1 0 220.272 2.655 20 5 BFBDRO CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309424 398306258 /nfs/dbraw/zinc/30/62/58/398306258.db2.gz GIAUGJSPGKDHHN-CYBMUJFWSA-N 1 0 234.299 2.972 20 5 BFBDRO CC(C)[C@@H]1CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000602503069 343227134 /nfs/dbraw/zinc/22/71/34/343227134.db2.gz CEQHOYPEWAORSS-AWEZNQCLSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000335689958 136324722 /nfs/dbraw/zinc/32/47/22/136324722.db2.gz KIJMOTWSGSQSNY-UWVGGRQHSA-N 1 0 220.272 2.578 20 5 BFBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457628 344408886 /nfs/dbraw/zinc/40/88/86/344408886.db2.gz KJIXIRPILBEPEG-VWYCJHECSA-N 1 0 234.299 2.901 20 5 BFBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111003 344795219 /nfs/dbraw/zinc/79/52/19/344795219.db2.gz BMXXMEFYLKSENE-PHIMTYICSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090909967 345572742 /nfs/dbraw/zinc/57/27/42/345572742.db2.gz URCNDTREVQZOAY-SNVBAGLBSA-N 1 0 234.299 2.525 20 5 BFBDRO Cc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093503478 345674665 /nfs/dbraw/zinc/67/46/65/345674665.db2.gz SGMNVCYEJQWILP-RYUDHWBXSA-N 1 0 248.326 2.991 20 5 BFBDRO Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382439999 346184139 /nfs/dbraw/zinc/18/41/39/346184139.db2.gz ZWVLZVIRIBTGLL-WDEREUQCSA-N 1 0 249.314 2.585 20 5 BFBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000136337379 346194462 /nfs/dbraw/zinc/19/44/62/346194462.db2.gz BCEYFWSSCXMFPJ-QMMMGPOBSA-N 1 0 240.328 2.792 20 5 BFBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000136337423 346194535 /nfs/dbraw/zinc/19/45/35/346194535.db2.gz BCEYFWSSCXMFPJ-MRVPVSSYSA-N 1 0 240.328 2.792 20 5 BFBDRO CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492573 348062493 /nfs/dbraw/zinc/06/24/93/348062493.db2.gz RHAVYBKZWLNCQQ-CABZTGNLSA-N 1 0 234.299 2.970 20 5 BFBDRO CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492568 348062730 /nfs/dbraw/zinc/06/27/30/348062730.db2.gz RHAVYBKZWLNCQQ-BXKDBHETSA-N 1 0 234.299 2.970 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000594953414 348147959 /nfs/dbraw/zinc/14/79/59/348147959.db2.gz SLYUWKYBROEEFD-AAEUAGOBSA-N 1 0 232.283 2.627 20 5 BFBDRO CC(C)(F)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594972312 348162177 /nfs/dbraw/zinc/16/21/77/348162177.db2.gz CYKAQINBGJZDRX-UHFFFAOYSA-N 1 0 240.278 2.823 20 5 BFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595295111 348216239 /nfs/dbraw/zinc/21/62/39/348216239.db2.gz FGOZNBDGTCGIGF-UHFFFAOYSA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595301385 348218709 /nfs/dbraw/zinc/21/87/09/348218709.db2.gz JTNGITVFYMWTRJ-SECBINFHSA-N 1 0 238.262 2.576 20 5 BFBDRO CC[C@H](C)[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595600186 348294851 /nfs/dbraw/zinc/29/48/51/348294851.db2.gz NMQIJNSOQMXIBP-QMMMGPOBSA-N 1 0 241.291 2.512 20 5 BFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000563080525 348425705 /nfs/dbraw/zinc/42/57/05/348425705.db2.gz FZGHYQXHYHYQEZ-UHFFFAOYSA-N 1 0 222.288 2.825 20 5 BFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597222514 348693214 /nfs/dbraw/zinc/69/32/14/348693214.db2.gz DTKIUHANAADKOL-CHWSQXEVSA-N 1 0 246.310 2.745 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CC=CC2)c1 ZINC000598991700 349072843 /nfs/dbraw/zinc/07/28/43/349072843.db2.gz BUHCYAUGGLUQNU-UHFFFAOYSA-N 1 0 232.283 2.651 20 5 BFBDRO CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000232874766 535151776 /nfs/dbraw/zinc/15/17/76/535151776.db2.gz SLSPWSTVRXZJJI-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO CC(C)[C@H]1CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000342862377 350816893 /nfs/dbraw/zinc/81/68/93/350816893.db2.gz SMPROEWEFRDHNC-GFCCVEGCSA-N 1 0 234.299 2.825 20 5 BFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086119858 350949706 /nfs/dbraw/zinc/94/97/06/350949706.db2.gz GCQNDHIMSPWTFB-CYBMUJFWSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1ccc(C[NH2+]C2CCCC2)cc1[N+](=O)[O-] ZINC000034994961 351375451 /nfs/dbraw/zinc/37/54/51/351375451.db2.gz XCRDGEQLPIAKCB-UHFFFAOYSA-N 1 0 234.299 2.935 20 5 BFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1C ZINC000414103682 191432074 /nfs/dbraw/zinc/43/20/74/191432074.db2.gz NTNQIUABBYFHAQ-GYSYKLTISA-N 1 0 248.326 2.771 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000076768104 363540713 /nfs/dbraw/zinc/54/07/13/363540713.db2.gz JQRQTJCELLCTMU-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000610133344 357221342 /nfs/dbraw/zinc/22/13/42/357221342.db2.gz HUZITALRSYWEQA-DTWKUNHWSA-N 1 0 240.328 2.887 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133347 357221610 /nfs/dbraw/zinc/22/16/10/357221610.db2.gz ICQBCLVFFTUYKZ-NEPJUHHUSA-N 1 0 248.326 2.868 20 5 BFBDRO Cc1c(C[NH2+]C2CCCC2)cccc1[N+](=O)[O-] ZINC000035648614 358015693 /nfs/dbraw/zinc/01/56/93/358015693.db2.gz CRIUKISITNLAET-UHFFFAOYSA-N 1 0 234.299 2.935 20 5 BFBDRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451105135 202351726 /nfs/dbraw/zinc/35/17/26/202351726.db2.gz RWLOKZIBEHXXAD-ONGXEEELSA-N 1 0 240.278 2.994 20 5 BFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCF ZINC000437243405 201348116 /nfs/dbraw/zinc/34/81/16/201348116.db2.gz BZYNQNHHLNLFGD-YFHOEESVSA-N 1 0 238.262 2.557 20 5 BFBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000125382697 371337757 /nfs/dbraw/zinc/33/77/57/371337757.db2.gz OWGGJJRGRJPRBO-NSHDSACASA-N 1 0 248.326 2.773 20 5 BFBDRO CC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000226383372 371657742 /nfs/dbraw/zinc/65/77/42/371657742.db2.gz JAEKMBKLXYOPHX-UHFFFAOYSA-N 1 0 234.299 2.527 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CC=CC2)cc1 ZINC000602721936 371832090 /nfs/dbraw/zinc/83/20/90/371832090.db2.gz VNICTMMMGWXATB-UHFFFAOYSA-N 1 0 246.310 2.693 20 5 BFBDRO CCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602503258 371814920 /nfs/dbraw/zinc/81/49/20/371814920.db2.gz PGRDWTJUOFYUFY-UHFFFAOYSA-N 1 0 249.270 2.626 20 5 BFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133023897 371972510 /nfs/dbraw/zinc/97/25/10/371972510.db2.gz KZQQCZDNEQJMEY-JTQLQIEISA-N 1 0 234.299 2.731 20 5 BFBDRO CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169718 169082356 /nfs/dbraw/zinc/08/23/56/169082356.db2.gz CZVLXFPKIUEFFB-UHFFFAOYSA-N 1 0 249.270 2.578 20 5 BFBDRO CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131641952 169276809 /nfs/dbraw/zinc/27/68/09/169276809.db2.gz XEWPDULWQVNVHQ-JTQLQIEISA-N 1 0 222.288 2.964 20 5 BFBDRO CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000038132265 169279288 /nfs/dbraw/zinc/27/92/88/169279288.db2.gz LKDQGDHOBUTQDI-ZDUSSCGKSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H](CSc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000337775561 383850630 /nfs/dbraw/zinc/85/06/30/383850630.db2.gz XJKUVKJIBNGDSJ-SECBINFHSA-N 1 0 240.328 2.637 20 5 BFBDRO C[C@@H](CSc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000337775562 383851520 /nfs/dbraw/zinc/85/15/20/383851520.db2.gz XJKUVKJIBNGDSJ-VIFPVBQESA-N 1 0 240.328 2.637 20 5 BFBDRO C[C@H](CC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000070102275 384298701 /nfs/dbraw/zinc/29/87/01/384298701.db2.gz AEUDIPPYXJYFSV-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)=CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285283914 384439405 /nfs/dbraw/zinc/43/94/05/384439405.db2.gz RIWVFVWKHAGREJ-SNVBAGLBSA-N 1 0 249.314 2.794 20 5 BFBDRO CC1(C)CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000395180425 384513288 /nfs/dbraw/zinc/51/32/88/384513288.db2.gz MZQVVXPPIKOLQE-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135457248 384617992 /nfs/dbraw/zinc/61/79/92/384617992.db2.gz BXCDGXKQFMFASN-JFGNBEQYSA-N 1 0 234.299 2.901 20 5 BFBDRO CCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047703420 384671026 /nfs/dbraw/zinc/67/10/26/384671026.db2.gz LGCQPDCBWPNGOK-JTQLQIEISA-N 1 0 222.288 2.998 20 5 BFBDRO CCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000226785058 384881979 /nfs/dbraw/zinc/88/19/79/384881979.db2.gz NRCXKIDFCOIAHF-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000062726290 385133988 /nfs/dbraw/zinc/13/39/88/385133988.db2.gz QOAUJTOAKHQGEK-SNVBAGLBSA-N 1 0 234.299 2.525 20 5 BFBDRO CC[NH+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000263806733 385148404 /nfs/dbraw/zinc/14/84/04/385148404.db2.gz WILCDMCUQKKPQC-SNVBAGLBSA-N 1 0 222.288 2.998 20 5 BFBDRO CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000292875172 385725228 /nfs/dbraw/zinc/72/52/28/385725228.db2.gz WXANMZMBOPBFOD-LBPRGKRZSA-N 1 0 234.299 2.888 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000336715654 385812089 /nfs/dbraw/zinc/81/20/89/385812089.db2.gz SSGTXFVPTNTKEZ-BXKDBHETSA-N 1 0 234.299 2.791 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000322008239 385911694 /nfs/dbraw/zinc/91/16/94/385911694.db2.gz IDTVLUZHKVZFPC-FOGDFJRCSA-N 1 0 234.299 2.729 20 5 BFBDRO CC(F)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294144595 386434357 /nfs/dbraw/zinc/43/43/57/386434357.db2.gz GSDAYGGINVPMPB-UHFFFAOYSA-N 1 0 244.241 2.730 20 5 BFBDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000129682140 386516101 /nfs/dbraw/zinc/51/61/01/386516101.db2.gz PFDBCRDIIHMMOR-JFGNBEQYSA-N 1 0 234.299 2.901 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000393579219 259707021 /nfs/dbraw/zinc/70/70/21/259707021.db2.gz YTZKHQPBIADYLV-XBFCOCLRSA-N 1 0 246.310 2.873 20 5 BFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045770782 387993766 /nfs/dbraw/zinc/99/37/66/387993766.db2.gz BTIDMKHLDVQAAC-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO O=[N+]([O-])c1ccccc1N1CCc2c[nH+]ccc21 ZINC000175005099 388102341 /nfs/dbraw/zinc/10/23/41/388102341.db2.gz ISLCKXZHGQBALD-UHFFFAOYSA-N 1 0 241.250 2.684 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000548752910 388368246 /nfs/dbraw/zinc/36/82/46/388368246.db2.gz FUUORWDRRNWXOP-PHIMTYICSA-N 1 0 234.299 2.620 20 5 BFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(C)CC1 ZINC000549407728 388387899 /nfs/dbraw/zinc/38/78/99/388387899.db2.gz IVHHENNHRFGYCQ-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171056605 388400699 /nfs/dbraw/zinc/40/06/99/388400699.db2.gz WXBBSDYQUJXZGN-UHFFFAOYSA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000037668356 388521847 /nfs/dbraw/zinc/52/18/47/388521847.db2.gz WXNGTKCYURJANX-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368683601 388682740 /nfs/dbraw/zinc/68/27/40/388682740.db2.gz PTKTYHNBXJVNPH-DGCLKSJQSA-N 1 0 246.310 2.969 20 5 BFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489501725 388740977 /nfs/dbraw/zinc/74/09/77/388740977.db2.gz VIVLOWMJSVUFPT-ZDUSSCGKSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H]1C ZINC000449317101 388747744 /nfs/dbraw/zinc/74/77/44/388747744.db2.gz AWTISQNDNDXSPC-LOWVWBTDSA-N 1 0 248.326 2.914 20 5 BFBDRO CC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449455442 388749339 /nfs/dbraw/zinc/74/93/39/388749339.db2.gz LLSQYAAUNDEJER-SNAWJCMRSA-N 1 0 234.299 2.959 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC12CC2 ZINC000424181259 388695195 /nfs/dbraw/zinc/69/51/95/388695195.db2.gz BNNNOUFZYANPRW-GFCCVEGCSA-N 1 0 232.283 2.545 20 5 BFBDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320796 388695870 /nfs/dbraw/zinc/69/58/70/388695870.db2.gz JRAMTSPEVCGHNA-SKDRFNHKSA-N 1 0 232.283 2.798 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326256 388696173 /nfs/dbraw/zinc/69/61/73/388696173.db2.gz OSCKTCMXGRTTAF-BXKDBHETSA-N 1 0 232.283 2.798 20 5 BFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCF ZINC000126970727 388709206 /nfs/dbraw/zinc/70/92/06/388709206.db2.gz NEVDZYBALFXNFF-JTQLQIEISA-N 1 0 240.278 2.913 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426456813 388710653 /nfs/dbraw/zinc/71/06/53/388710653.db2.gz XACOUCSRSLRATQ-JSGCOSHPSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000378311685 388727473 /nfs/dbraw/zinc/72/74/73/388727473.db2.gz DRUYUDHBYJHMKD-GFCCVEGCSA-N 1 0 246.310 2.827 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000130679359 388765164 /nfs/dbraw/zinc/76/51/64/388765164.db2.gz NFCZIWPLZUFUBY-UHFFFAOYSA-N 1 0 246.310 2.875 20 5 BFBDRO CC[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000125455210 388787344 /nfs/dbraw/zinc/78/73/44/388787344.db2.gz MEUFGTFRYROACX-VIFPVBQESA-N 1 0 240.328 2.888 20 5 BFBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000226256845 134362501 /nfs/dbraw/zinc/36/25/01/134362501.db2.gz SREXRXRXYNLSKQ-NSHDSACASA-N 1 0 234.299 2.731 20 5 BFBDRO CC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255406094 135130145 /nfs/dbraw/zinc/13/01/45/135130145.db2.gz XGVTXEPBMVSOGI-VURMDHGXSA-N 1 0 220.272 2.560 20 5 BFBDRO CCC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000342684052 135304296 /nfs/dbraw/zinc/30/42/96/135304296.db2.gz APHYYDQWYGMBEL-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000080773836 135384986 /nfs/dbraw/zinc/38/49/86/135384986.db2.gz LMTZDZXUWNMAIB-SNVBAGLBSA-N 1 0 245.282 2.774 20 5 BFBDRO CC1(C)CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347388667 135477612 /nfs/dbraw/zinc/47/76/12/135477612.db2.gz YKXURYGJRWPMOJ-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000348371160 136073703 /nfs/dbraw/zinc/07/37/03/136073703.db2.gz FFWLFGINEUMBMF-OCCSQVGLSA-N 1 0 248.326 2.916 20 5 BFBDRO CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000165486205 168044091 /nfs/dbraw/zinc/04/40/91/168044091.db2.gz QUPKYPDWXDPHHI-UHFFFAOYSA-N 1 0 240.328 2.936 20 5 BFBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000160008109 168064150 /nfs/dbraw/zinc/06/41/50/168064150.db2.gz IWCJINDHLVSDEJ-UHFFFAOYSA-N 1 0 220.272 2.627 20 5 BFBDRO CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000036819305 170126740 /nfs/dbraw/zinc/12/67/40/170126740.db2.gz ADDCEYJGYMDSCY-UHFFFAOYSA-N 1 0 246.266 2.964 20 5 BFBDRO CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000038132159 170146003 /nfs/dbraw/zinc/14/60/03/170146003.db2.gz MZXNEIZWZVCKOF-LBPRGKRZSA-N 1 0 234.299 2.525 20 5 BFBDRO CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278603284 170149849 /nfs/dbraw/zinc/14/98/49/170149849.db2.gz ASEXVXLGVATOFO-GFCCVEGCSA-N 1 0 234.299 2.927 20 5 BFBDRO CC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000125514150 171010513 /nfs/dbraw/zinc/01/05/13/171010513.db2.gz HOBWOHCODGBAJD-LLVKDONJSA-N 1 0 234.299 2.827 20 5 BFBDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292777004 171024294 /nfs/dbraw/zinc/02/42/94/171024294.db2.gz KYNLMUCKLIEDFI-GFCCVEGCSA-N 1 0 234.299 2.888 20 5 BFBDRO CC[C@@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000292474224 171025564 /nfs/dbraw/zinc/02/55/64/171025564.db2.gz ROUNRKWAULRYKH-GFCCVEGCSA-N 1 0 234.299 2.888 20 5 BFBDRO CC[C@@H]1CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292404130 171026000 /nfs/dbraw/zinc/02/60/00/171026000.db2.gz LLEFAOWRSHAJLX-LLVKDONJSA-N 1 0 220.272 2.579 20 5 BFBDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849580 171347701 /nfs/dbraw/zinc/34/77/01/171347701.db2.gz BDSRWHIZCIWNKY-DTWKUNHWSA-N 1 0 237.303 2.626 20 5 BFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070827905 176131747 /nfs/dbraw/zinc/13/17/47/176131747.db2.gz JUAAPYNUZLTWCL-SCZZXKLOSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000080456951 176233613 /nfs/dbraw/zinc/23/36/13/176233613.db2.gz QWUFQAZKJUHRBC-PWSUYJOCSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293448264 176316810 /nfs/dbraw/zinc/31/68/10/176316810.db2.gz PDCWKASPPDSSNQ-GMTAPVOTSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H]1C ZINC000292977665 176318038 /nfs/dbraw/zinc/31/80/38/176318038.db2.gz KVLLHPDUEMVHOY-GMTAPVOTSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000266557186 177042302 /nfs/dbraw/zinc/04/23/02/177042302.db2.gz WIUNJWBNEDWYDH-SNVBAGLBSA-N 1 0 220.272 2.752 20 5 BFBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310263982 177194896 /nfs/dbraw/zinc/19/48/96/177194896.db2.gz IEEWJCBQPDDBGZ-UFBFGSQYSA-N 1 0 238.262 2.622 20 5 BFBDRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348390 225382407 /nfs/dbraw/zinc/38/24/07/225382407.db2.gz MJNKDAGULOQOLX-CMPLNLGQSA-N 1 0 234.299 2.683 20 5 BFBDRO CC(C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569847935 323042589 /nfs/dbraw/zinc/04/25/89/323042589.db2.gz LSYXNFUKTJKCHQ-UHFFFAOYSA-N 1 0 247.298 2.617 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000562967036 323060697 /nfs/dbraw/zinc/06/06/97/323060697.db2.gz AAKXEXLJURFIPS-UONOGXRCSA-N 1 0 246.310 2.873 20 5 BFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000563080841 323088187 /nfs/dbraw/zinc/08/81/87/323088187.db2.gz HOJXXPNFBFVLBB-UHFFFAOYSA-N 1 0 222.288 2.825 20 5 BFBDRO Cc1c(C[NH2+]C2(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000544416872 325142167 /nfs/dbraw/zinc/14/21/67/325142167.db2.gz IYOLSVCVVZMOHF-UHFFFAOYSA-N 1 0 246.310 2.935 20 5 BFBDRO CC(C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565666875 325941621 /nfs/dbraw/zinc/94/16/21/325941621.db2.gz OBRBODXBPFWIHN-NSHDSACASA-N 1 0 220.272 2.580 20 5 BFBDRO C[C@@H]1C[C@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348392 534019543 /nfs/dbraw/zinc/01/95/43/534019543.db2.gz MJNKDAGULOQOLX-PWSUYJOCSA-N 1 0 234.299 2.683 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000791053011 583385074 /nfs/dbraw/zinc/38/50/74/583385074.db2.gz RSORVQWEIFRZGD-CQSZACIVSA-N 1 0 248.326 2.533 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000897953270 584064085 /nfs/dbraw/zinc/06/40/85/584064085.db2.gz OETAVFPGCRLRSX-KWCYVHTRSA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCF ZINC000766010522 585495658 /nfs/dbraw/zinc/49/56/58/585495658.db2.gz WHKBCCGXTZYHDI-SNVBAGLBSA-N 1 0 240.278 2.947 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCF ZINC000766010521 585495796 /nfs/dbraw/zinc/49/57/96/585495796.db2.gz WHKBCCGXTZYHDI-JTQLQIEISA-N 1 0 240.278 2.947 20 5 BFBDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000816649084 586751307 /nfs/dbraw/zinc/75/13/07/586751307.db2.gz TUDSVJKOLWHGOM-GHMZBOCLSA-N 1 0 234.299 2.743 20 5 BFBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000816649225 586751897 /nfs/dbraw/zinc/75/18/97/586751897.db2.gz VYOUZDUPTZQSMA-BAEOLTKYSA-N 1 0 246.310 2.948 20 5 BFBDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877742 587769016 /nfs/dbraw/zinc/76/90/16/587769016.db2.gz VFDQHWNUIZGTQC-YEZKRMTDSA-N 1 0 249.314 2.794 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C=CCC1 ZINC000850506515 588553516 /nfs/dbraw/zinc/55/35/16/588553516.db2.gz FGWRVNHIIRXVKN-ZWNOBZJWSA-N 1 0 244.294 2.890 20 5 BFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885943757 592111609 /nfs/dbraw/zinc/11/16/09/592111609.db2.gz BVQIETZALZJEIL-UHFFFAOYSA-N 1 0 249.314 2.754 20 5 BFBDRO CC1(C)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885982119 592120620 /nfs/dbraw/zinc/12/06/20/592120620.db2.gz VCYLLWFNPCYWEY-UHFFFAOYSA-N 1 0 249.314 2.612 20 5 BFBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886029739 592135798 /nfs/dbraw/zinc/13/57/98/592135798.db2.gz AJQYFIWPTJJBEB-JTQLQIEISA-N 1 0 249.314 2.610 20 5 BFBDRO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000886048970 592140177 /nfs/dbraw/zinc/14/01/77/592140177.db2.gz CCAAVPKUTUDSAT-UHFFFAOYSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886112354 592156361 /nfs/dbraw/zinc/15/63/61/592156361.db2.gz VVBYGUDOJXDGRY-VHSXEESVSA-N 1 0 237.303 2.514 20 5 BFBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000930699999 639865979 /nfs/dbraw/zinc/86/59/79/639865979.db2.gz MDYKLDBAKVVUQN-KGLIPLIRSA-N 1 0 248.326 2.531 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170915580 640938409 /nfs/dbraw/zinc/93/84/09/640938409.db2.gz ZIINEKDLEBMWQJ-VIFPVBQESA-N 1 0 240.278 2.964 20 5 BFBDRO CCC[C@](C)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000934180902 641095844 /nfs/dbraw/zinc/09/58/44/641095844.db2.gz XDMOYXHWVADGFK-ZDUSSCGKSA-N 1 0 236.315 2.568 20 5 BFBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC[N+](=O)[O-] ZINC000929384477 646105355 /nfs/dbraw/zinc/10/53/55/646105355.db2.gz GEEXZXZKSRIMOC-ZDUSSCGKSA-N 1 0 236.315 2.736 20 5 BFBDRO Cc1c(C[NH2+]C[C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000711679570 712316425 /nfs/dbraw/zinc/31/64/25/712316425.db2.gz NDCWSFCWPYHQDD-GFCCVEGCSA-N 1 0 246.310 2.959 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711775799 712328387 /nfs/dbraw/zinc/32/83/87/712328387.db2.gz ABNFNECJRKMOKI-NSHDSACASA-N 1 0 232.283 2.651 20 5 BFBDRO CCCC/C=C/[C@@H](C)OCC[N+](C)(C)C ZINC001224772535 964934911 /nfs/dbraw/zinc/93/49/11/964934911.db2.gz AENVUCGSEIKCDT-WTNCMQEWSA-N 1 0 214.373 2.844 20 5 BFBDRO C[C@H](CCc1ccccc1)OCC[N+](C)(C)C ZINC001224775564 964938846 /nfs/dbraw/zinc/93/88/46/964938846.db2.gz MPHQNHGGZQDYFJ-CQSZACIVSA-N 1 0 236.379 2.731 20 5 BFBDRO CC(C)C([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977268 969295804 /nfs/dbraw/zinc/29/58/04/969295804.db2.gz JDTCAYDBJQFHCY-NEPJUHHUSA-N 1 0 242.363 2.702 20 5 BFBDRO CCCCC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007084 969328853 /nfs/dbraw/zinc/32/88/53/969328853.db2.gz KUCPPXGLUBTVQB-VXGBXAGGSA-N 1 0 228.336 2.554 20 5 BFBDRO CC(C)(CC1CC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990341 969344645 /nfs/dbraw/zinc/34/46/45/969344645.db2.gz BVNMYNGPDWDBTJ-NWDGAFQWSA-N 1 0 240.347 2.600 20 5 BFBDRO CC[C@H](C)[C@@H](C)OCCC[N+](C)(C)C ZINC001224622080 973805168 /nfs/dbraw/zinc/80/51/68/973805168.db2.gz FTIZGDHLSOHVOM-NWDGAFQWSA-N 1 0 202.362 2.534 20 5 BFBDRO Cc1ccccc1[C@H](C)OCC[N+](C)(C)C ZINC001224772592 973937007 /nfs/dbraw/zinc/93/70/07/973937007.db2.gz ATKWIWIGVVOFHK-ZDUSSCGKSA-N 1 0 222.352 2.779 20 5 BFBDRO C[C@H](OCC[N+](C)(C)C)c1ccc(F)c(F)c1 ZINC001224773216 973938182 /nfs/dbraw/zinc/93/81/82/973938182.db2.gz GCGKBWDZYRMANM-JTQLQIEISA-N 1 0 244.305 2.749 20 5 BFBDRO CCC[C@@H](OCC[N+](C)(C)C)[C@@H](C)CC ZINC001224773127 973938235 /nfs/dbraw/zinc/93/82/35/973938235.db2.gz DYKOSDNEYGGWJE-QWHCGFSZSA-N 1 0 216.389 2.924 20 5 BFBDRO C[C@@H](OCC[N+](C)(C)C)c1c(F)cccc1F ZINC001224772233 973939155 /nfs/dbraw/zinc/93/91/55/973939155.db2.gz XIKDCOGDYVNGDN-SNVBAGLBSA-N 1 0 244.305 2.749 20 5 BFBDRO Cc1ccc2c(c1)CC[C@H]2OCC[N+](C)(C)C ZINC001224771111 973939188 /nfs/dbraw/zinc/93/91/88/973939188.db2.gz GFHZKAXMQSWNAC-OAHLLOKOSA-N 1 0 234.363 2.705 20 5 BFBDRO Cc1ccc([C@H](C)OCC[N+](C)(C)C)cc1 ZINC001224776104 973941795 /nfs/dbraw/zinc/94/17/95/973941795.db2.gz SDVGADFUPHVKJM-ZDUSSCGKSA-N 1 0 222.352 2.779 20 5 BFBDRO CSc1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001225668871 974633607 /nfs/dbraw/zinc/63/36/07/974633607.db2.gz SZQNRBBDWFOUPX-NSHDSACASA-N 1 0 240.392 2.882 20 5 BFBDRO [NH2+]=CNc1cc(Cl)ccc1C=C[N+](=O)[O-] ZINC001167868108 961357648 /nfs/dbraw/zinc/35/76/48/961357648.db2.gz RPSYTQRKLYXXEX-ONEGZZNKSA-N 1 0 225.635 2.606 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccncc2c1 ZINC001225452985 962151898 /nfs/dbraw/zinc/15/18/98/962151898.db2.gz HWVSSETWDUFBJH-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)ccc(F)c1F ZINC001225872750 962885002 /nfs/dbraw/zinc/88/50/02/962885002.db2.gz MBAMBHDPZLETLS-MRVPVSSYSA-N 1 0 248.268 2.577 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)cc1Cl ZINC001227444448 963525254 /nfs/dbraw/zinc/52/52/54/963525254.db2.gz BQBDJVQROKDCAI-SECBINFHSA-O 1 0 244.742 2.519 20 5 BFBDRO CC(C)CC[C@H](C)OCCC[N+](C)(C)C ZINC001224620806 964809132 /nfs/dbraw/zinc/80/91/32/964809132.db2.gz BVKCPBJPVFBKLC-ZDUSSCGKSA-N 1 0 216.389 2.924 20 5 BFBDRO CCCCC[C@@H](C)OCC[N+](C)(C)C ZINC001224772395 964935152 /nfs/dbraw/zinc/93/51/52/964935152.db2.gz ZFOCZISCBKFIRE-GFCCVEGCSA-N 1 0 202.362 2.678 20 5 BFBDRO C[C@@H]1CC[C@@H](OCC[N+](C)(C)C)C[C@H]1C ZINC001224774895 964936789 /nfs/dbraw/zinc/93/67/89/964936789.db2.gz HAEZAIPCWQZRSC-JHJVBQTASA-N 1 0 214.373 2.534 20 5 BFBDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976297 969295528 /nfs/dbraw/zinc/29/55/28/969295528.db2.gz CJRRARSJBCXRLQ-RWMBFGLXSA-N 1 0 242.363 2.846 20 5 BFBDRO Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958348 969307488 /nfs/dbraw/zinc/30/74/88/969307488.db2.gz MUMGHNIECMPNTI-OCCSQVGLSA-N 1 0 248.326 2.530 20 5 BFBDRO CC1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168959172 969310083 /nfs/dbraw/zinc/31/00/83/969310083.db2.gz UJQZMZHMAINMAU-MVKMKZAISA-N 1 0 240.347 2.600 20 5 BFBDRO CCCC(CCC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975830 969323012 /nfs/dbraw/zinc/32/30/12/969323012.db2.gz XLRNHMHRKKNDHA-AAEUAGOBSA-N 1 0 242.363 2.990 20 5 BFBDRO C[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005711 969328992 /nfs/dbraw/zinc/32/89/92/969328992.db2.gz CIGKZEKPXPQJPD-KGLIPLIRSA-N 1 0 248.326 2.564 20 5 BFBDRO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005710 969330258 /nfs/dbraw/zinc/33/02/58/969330258.db2.gz CIGKZEKPXPQJPD-KBPBESRZSA-N 1 0 248.326 2.564 20 5 BFBDRO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012283 969337824 /nfs/dbraw/zinc/33/78/24/969337824.db2.gz OXHFRXHXBZJJON-UPJWGTAASA-N 1 0 240.347 2.554 20 5 BFBDRO CC(C)(CC1CC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990342 969344012 /nfs/dbraw/zinc/34/40/12/969344012.db2.gz BVNMYNGPDWDBTJ-RYUDHWBXSA-N 1 0 240.347 2.600 20 5 BFBDRO CC1(C)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169027847 969349593 /nfs/dbraw/zinc/34/95/93/969349593.db2.gz RBRGDORMKOYNMJ-NEPJUHHUSA-N 1 0 240.347 2.554 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCCCCCC2)C1 ZINC001169037569 969357502 /nfs/dbraw/zinc/35/75/02/969357502.db2.gz SPFJFJJEQBFJDK-OLZOCXBDSA-N 1 0 240.347 2.698 20 5 BFBDRO CCC[N@H+](CC(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042824 969359378 /nfs/dbraw/zinc/35/93/78/969359378.db2.gz GEYIFUGZJICGFW-OLZOCXBDSA-N 1 0 242.363 2.800 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C ZINC001254531612 969728034 /nfs/dbraw/zinc/72/80/34/969728034.db2.gz FPJNOIXKHSBQJF-JFGNBEQYSA-N 1 0 234.299 2.524 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001254550118 969738482 /nfs/dbraw/zinc/73/84/82/969738482.db2.gz CWZBDWKTFKBIFZ-SNVBAGLBSA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C12CC(C1)C2 ZINC001254537266 969738574 /nfs/dbraw/zinc/73/85/74/969738574.db2.gz YMADBQGXIGJUSR-IFQILLTASA-N 1 0 246.310 2.668 20 5 BFBDRO Cc1c[nH+]ccc1Nc1cccc([N+](=O)[O-])c1F ZINC001210378395 969880906 /nfs/dbraw/zinc/88/09/06/969880906.db2.gz GIGDFBPBUKMYLD-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccs1 ZINC001224619802 973801582 /nfs/dbraw/zinc/80/15/82/973801582.db2.gz RAGWNVRCSUFOJJ-LLVKDONJSA-N 1 0 228.381 2.922 20 5 BFBDRO C[C@H]1CC[C@H](OCCC[N+](C)(C)C)CC1 ZINC001224622453 973805454 /nfs/dbraw/zinc/80/54/54/973805454.db2.gz GNJIYJDLQJVOCT-JOCQHMNTSA-N 1 0 214.373 2.678 20 5 BFBDRO C[C@@H]1CCC[C@@H](OCC[N+](C)(C)C)[C@@H]1C ZINC001224775117 973941565 /nfs/dbraw/zinc/94/15/65/973941565.db2.gz IYFONEXGWOHESY-JHJVBQTASA-N 1 0 214.373 2.534 20 5 BFBDRO CC[C@@H](C)CC[C@@H](C)OCC[N+](C)(C)C ZINC001224775483 973942915 /nfs/dbraw/zinc/94/29/15/973942915.db2.gz LQEPLRRAIBGJOK-CHWSQXEVSA-N 1 0 216.389 2.924 20 5 BFBDRO C[C@@H](CCc1ccccc1)OCC[N+](C)(C)C ZINC001224775563 973944342 /nfs/dbraw/zinc/94/43/42/973944342.db2.gz MPHQNHGGZQDYFJ-AWEZNQCLSA-N 1 0 236.379 2.731 20 5 BFBDRO CC(C)CCC[C@@H](C)OCC[N+](C)(C)C ZINC001224776212 973944513 /nfs/dbraw/zinc/94/45/13/973944513.db2.gz SYDHDWGYWBQUBW-CYBMUJFWSA-N 1 0 216.389 2.924 20 5 BFBDRO Cc1cccc(O[C@H](C)C[N+](C)(C)C)c1C ZINC001225220036 974255738 /nfs/dbraw/zinc/25/57/38/974255738.db2.gz MUDVKFBHCHTZLO-GFCCVEGCSA-N 1 0 222.352 2.777 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]ccc2c1 ZINC001225270485 974332880 /nfs/dbraw/zinc/33/28/80/974332880.db2.gz RIGPBAZVTNPYJA-LLVKDONJSA-N 1 0 233.335 2.641 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc[nH]c2c1 ZINC001225653905 974624183 /nfs/dbraw/zinc/62/41/83/974624183.db2.gz PPLVJFCMUANSEN-NSHDSACASA-N 1 0 233.335 2.641 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc[nH]c2c1 ZINC001225653904 974625605 /nfs/dbraw/zinc/62/56/05/974625605.db2.gz PPLVJFCMUANSEN-LLVKDONJSA-N 1 0 233.335 2.641 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(F)c(F)c1 ZINC001225910516 974726019 /nfs/dbraw/zinc/72/60/19/974726019.db2.gz CQIOXQVJJNZOLK-QMMMGPOBSA-N 1 0 248.268 2.577 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(F)c1F ZINC001225957825 974743786 /nfs/dbraw/zinc/74/37/86/974743786.db2.gz WSCLTNIRNVABTM-QMMMGPOBSA-N 1 0 248.268 2.577 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2ccccc2n1C ZINC001226239318 974834836 /nfs/dbraw/zinc/83/48/36/974834836.db2.gz LINAMSNCOSZLTM-LBPRGKRZSA-N 1 0 247.362 2.652 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cncc2ccccc21 ZINC001226746466 975057735 /nfs/dbraw/zinc/05/77/35/975057735.db2.gz QNEUDGJEUOXPDX-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C1 ZINC001173221532 975073454 /nfs/dbraw/zinc/07/34/54/975073454.db2.gz JQKFEAUCHGBABE-NEPJUHHUSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CC1 ZINC001173223973 975074153 /nfs/dbraw/zinc/07/41/53/975074153.db2.gz COCQQQJOOMUUOP-NSHDSACASA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc(Cl)c1 ZINC001227858877 975745324 /nfs/dbraw/zinc/74/53/24/975745324.db2.gz VZGMKSIEKKKQCA-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2ccccc2[nH]1 ZINC001230744358 977321336 /nfs/dbraw/zinc/32/13/36/977321336.db2.gz KXWKXVMRWAGRFH-LLVKDONJSA-N 1 0 233.335 2.641 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[C@@H]1C ZINC001177268385 978319753 /nfs/dbraw/zinc/31/97/53/978319753.db2.gz XXGTUWFCQKKSJC-CMPLNLGQSA-N 1 0 248.326 2.957 20 5 BFBDRO CC(C)c1ccc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001234493494 978848982 /nfs/dbraw/zinc/84/89/82/978848982.db2.gz ACUJXPIWIKRISZ-GFCCVEGCSA-N 1 0 237.367 2.679 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OCC1CCCCC1 ZINC001205572582 981093113 /nfs/dbraw/zinc/09/31/13/981093113.db2.gz IDDOAPCRLPOBIK-LBPRGKRZSA-N 1 0 214.373 2.678 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C1CCCC1)C2 ZINC001319752896 991965354 /nfs/dbraw/zinc/96/53/54/991965354.db2.gz ODQKXZAXFXZLKN-UHFFFAOYSA-N 1 0 232.283 2.853 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+]1C2CCC1CC2 ZINC000602151607 349462493 /nfs/dbraw/zinc/46/24/93/349462493.db2.gz UVZSIYJQJQKBIX-UHFFFAOYSA-N 1 0 232.283 2.722 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000133826098 398163806 /nfs/dbraw/zinc/16/38/06/398163806.db2.gz BXMZLWUZJFSOIK-CMPLNLGQSA-N 1 0 234.299 2.649 20 5 BFBDRO CCC1C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000453606384 398203778 /nfs/dbraw/zinc/20/37/78/398203778.db2.gz PTUAKTGZULOZOQ-UHFFFAOYSA-N 1 0 234.299 2.745 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C ZINC000183339218 178270804 /nfs/dbraw/zinc/27/08/04/178270804.db2.gz NWIGMQIFJKEMMG-NSHDSACASA-N 1 0 234.299 2.888 20 5 BFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000073778921 343994737 /nfs/dbraw/zinc/99/47/37/343994737.db2.gz GDLFWJMOGYQSIP-JTQLQIEISA-N 1 0 234.299 2.825 20 5 BFBDRO Cc1c([C@@H](C)[NH2+]CCCF)cccc1[N+](=O)[O-] ZINC000126851358 342736777 /nfs/dbraw/zinc/73/67/77/342736777.db2.gz SGBLWJGPBCCHAI-SNVBAGLBSA-N 1 0 240.278 2.913 20 5 BFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893197 398309591 /nfs/dbraw/zinc/30/95/91/398309591.db2.gz GEJJZLVNPJTYJU-QWRGUYRKSA-N 1 0 234.299 2.825 20 5 BFBDRO CCC1(C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689132 349679367 /nfs/dbraw/zinc/67/93/67/349679367.db2.gz RQRUDKLMTKZUGU-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000284251745 343922578 /nfs/dbraw/zinc/92/25/78/343922578.db2.gz IMFORMMGXZJFSR-LBPRGKRZSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=CCC1 ZINC000611517182 344747927 /nfs/dbraw/zinc/74/79/27/344747927.db2.gz GTRKGDRHSACWNB-LLVKDONJSA-N 1 0 232.283 2.918 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC=CC1 ZINC000612580746 344907234 /nfs/dbraw/zinc/90/72/34/344907234.db2.gz GJLXGEBPGGLSBT-UHFFFAOYSA-N 1 0 232.283 2.711 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCC3)cc1 ZINC000081545809 345477962 /nfs/dbraw/zinc/47/79/62/345477962.db2.gz FMABHKHHQHWVFL-UHFFFAOYSA-N 1 0 232.283 2.723 20 5 BFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000090910141 345572930 /nfs/dbraw/zinc/57/29/30/345572930.db2.gz ZGCUYHYOHULHKW-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000167730134 345723189 /nfs/dbraw/zinc/72/31/89/345723189.db2.gz JDBJVQGOMLZUKI-GFCCVEGCSA-N 1 0 234.299 2.969 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2=CCCC2)c1 ZINC000401177071 346384182 /nfs/dbraw/zinc/38/41/82/346384182.db2.gz WQPPTLVLGCDJQR-UHFFFAOYSA-N 1 0 232.283 2.795 20 5 BFBDRO CC[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000170915552 346479485 /nfs/dbraw/zinc/47/94/85/346479485.db2.gz GEBMAUPOSDLFAX-QMMMGPOBSA-N 1 0 228.317 2.887 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC=CC1 ZINC000594503596 348063918 /nfs/dbraw/zinc/06/39/18/348063918.db2.gz ZSTJDWWUONFTRU-ZDUSSCGKSA-N 1 0 244.294 2.890 20 5 BFBDRO CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492577 348062525 /nfs/dbraw/zinc/06/25/25/348062525.db2.gz RHAVYBKZWLNCQQ-SKDRFNHKSA-N 1 0 234.299 2.970 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000594953439 348148503 /nfs/dbraw/zinc/14/85/03/348148503.db2.gz STCWUKWJLKZKGK-DGCLKSJQSA-N 1 0 232.283 2.627 20 5 BFBDRO CC(C)(F)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594973838 348162888 /nfs/dbraw/zinc/16/28/88/348162888.db2.gz WDQBMXDMUQUXAS-UHFFFAOYSA-N 1 0 240.278 2.823 20 5 BFBDRO CC[NH+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290383 348213547 /nfs/dbraw/zinc/21/35/47/348213547.db2.gz ABSYRSBKJQWRRS-UHFFFAOYSA-N 1 0 226.251 2.576 20 5 BFBDRO CCC[NH+](CCC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595295946 348215973 /nfs/dbraw/zinc/21/59/73/348215973.db2.gz IGOXSMSBZQQOGR-UHFFFAOYSA-N 1 0 241.291 2.513 20 5 BFBDRO CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000042975947 348985349 /nfs/dbraw/zinc/98/53/49/348985349.db2.gz HQZAHEAMTLVLHT-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO CC(C)=CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000191626965 538039202 /nfs/dbraw/zinc/03/92/02/538039202.db2.gz FXNLTEFTUJSPHZ-UHFFFAOYSA-N 1 0 220.272 2.651 20 5 BFBDRO CC1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076013799 362950831 /nfs/dbraw/zinc/95/08/31/362950831.db2.gz VTTZYMJCHYMQIW-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086119854 350949974 /nfs/dbraw/zinc/94/99/74/350949974.db2.gz GCQNDHIMSPWTFB-ZDUSSCGKSA-N 1 0 234.299 2.873 20 5 BFBDRO CC1(C)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045119476 352565401 /nfs/dbraw/zinc/56/54/01/352565401.db2.gz BOQOTNJFBCXMOS-LBPRGKRZSA-N 1 0 234.299 2.525 20 5 BFBDRO CC1(C)C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000045117832 188152562 /nfs/dbraw/zinc/15/25/62/188152562.db2.gz FZNFBEXGWJKGIV-MRVPVSSYSA-N 1 0 226.301 2.544 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC1(C)C ZINC000414219761 191472719 /nfs/dbraw/zinc/47/27/19/191472719.db2.gz IJVOJTZBPGKFTC-MFKMUULPSA-N 1 0 248.326 2.914 20 5 BFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000047923733 356362596 /nfs/dbraw/zinc/36/25/96/356362596.db2.gz LNZXTMXNKRWBSG-UHFFFAOYSA-N 1 0 234.299 2.888 20 5 BFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000582299248 357034661 /nfs/dbraw/zinc/03/46/61/357034661.db2.gz CBLUKJNFUMEQTI-UHFFFAOYSA-N 1 0 236.315 2.868 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccco2)cc1 ZINC000035677677 358087817 /nfs/dbraw/zinc/08/78/17/358087817.db2.gz MZEHCUPCUKLZIW-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO Cc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000044370979 358548308 /nfs/dbraw/zinc/54/83/08/358548308.db2.gz QNQBCSDOHBZZMO-GFCCVEGCSA-N 1 0 234.299 2.791 20 5 BFBDRO C[C@@H]1C[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000580469162 359572749 /nfs/dbraw/zinc/57/27/49/359572749.db2.gz NIFKLVFEUYNAIG-YPMHNXCESA-N 1 0 248.326 2.725 20 5 BFBDRO CC(C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000065961397 361084518 /nfs/dbraw/zinc/08/45/18/361084518.db2.gz GAOUVYHLQNHDBF-UHFFFAOYSA-N 1 0 228.317 2.744 20 5 BFBDRO CC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000434777748 201238490 /nfs/dbraw/zinc/23/84/90/201238490.db2.gz QSGMEYNJDSUGMK-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO CC(C)c1ccc(C[NH2+]CCF)cc1[N+](=O)[O-] ZINC000437237291 201348013 /nfs/dbraw/zinc/34/80/13/201348013.db2.gz PTNRPWNUHKPYQG-UHFFFAOYSA-N 1 0 240.278 2.777 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(C2CC2)CC1 ZINC000130678659 364011417 /nfs/dbraw/zinc/01/14/17/364011417.db2.gz MTWBRZKKOWUSFE-UHFFFAOYSA-N 1 0 246.310 2.875 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCC2)cs1 ZINC000037472350 364053872 /nfs/dbraw/zinc/05/38/72/364053872.db2.gz FRBCQZMXESTHFU-UHFFFAOYSA-N 1 0 226.301 2.546 20 5 BFBDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493618 366832081 /nfs/dbraw/zinc/83/20/81/366832081.db2.gz NMDBECMBLHLMJU-GBIKHYSHSA-N 1 0 246.310 2.828 20 5 BFBDRO C[C@@H]1C[C@@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853499 365385589 /nfs/dbraw/zinc/38/55/89/365385589.db2.gz NMCFIBROVCFNDS-ZYHUDNBSSA-N 1 0 246.310 2.609 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCC1 ZINC000576052662 365466487 /nfs/dbraw/zinc/46/64/87/365466487.db2.gz RAFDXQPWHGHKOH-ZDUSSCGKSA-N 1 0 246.310 2.972 20 5 BFBDRO C[C@H](CC1CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000069662953 370970108 /nfs/dbraw/zinc/97/01/08/370970108.db2.gz FENNBYZCDMRPOI-MRVPVSSYSA-N 1 0 240.328 2.935 20 5 BFBDRO CC1(C)CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000284404756 371528277 /nfs/dbraw/zinc/52/82/77/371528277.db2.gz PXWXQVOBIWNXOO-CYBMUJFWSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166465264 326432983 /nfs/dbraw/zinc/43/29/83/326432983.db2.gz IBESZLRIGZWUJT-SECBINFHSA-N 1 0 208.261 2.574 20 5 BFBDRO CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC000602704294 371832784 /nfs/dbraw/zinc/83/27/84/371832784.db2.gz FYYMLZBOSJABGM-UHFFFAOYSA-N 1 0 246.310 2.836 20 5 BFBDRO CC1(C)C[C@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602719613 371833189 /nfs/dbraw/zinc/83/31/89/371833189.db2.gz ZUNZRWWQEDLPTA-AWEZNQCLSA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000602516008 371817180 /nfs/dbraw/zinc/81/71/80/371817180.db2.gz GAHBONVCEVUOAB-LMKPVCQUSA-N 1 0 246.310 2.731 20 5 BFBDRO CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000037948150 169286164 /nfs/dbraw/zinc/28/61/64/169286164.db2.gz DHSKKZBFINCGME-LLVKDONJSA-N 1 0 236.315 2.916 20 5 BFBDRO CCC[C@@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337310673 169367556 /nfs/dbraw/zinc/36/75/56/169367556.db2.gz BEFNBHDVOWPZIJ-SNVBAGLBSA-N 1 0 249.314 2.537 20 5 BFBDRO C[C@@H](CF)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000288535617 383906907 /nfs/dbraw/zinc/90/69/07/383906907.db2.gz WFTGIJFTNOJLQL-RWCYGVJQSA-N 1 0 238.262 2.556 20 5 BFBDRO CSCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070184425 384464505 /nfs/dbraw/zinc/46/45/05/384464505.db2.gz PFLHRKLMCFLXCZ-VIFPVBQESA-N 1 0 240.328 2.608 20 5 BFBDRO CC[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340676946 384530165 /nfs/dbraw/zinc/53/01/65/384530165.db2.gz KHXOCRLVMPIYOF-LBPRGKRZSA-N 1 0 234.299 2.969 20 5 BFBDRO Cc1ccc([C@H](C)[NH2+]CCCF)cc1[N+](=O)[O-] ZINC000126952966 384843755 /nfs/dbraw/zinc/84/37/55/384843755.db2.gz DRIKWICEDKUFFI-JTQLQIEISA-N 1 0 240.278 2.913 20 5 BFBDRO CCCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000071948277 384856272 /nfs/dbraw/zinc/85/62/72/384856272.db2.gz IJUVLVGHGVMPRX-UHFFFAOYSA-N 1 0 236.315 2.869 20 5 BFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000321453254 385195590 /nfs/dbraw/zinc/19/55/90/385195590.db2.gz FTQJGHPDEBJWMK-UHIISALHSA-N 1 0 248.326 2.771 20 5 BFBDRO CC1(F)CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000449371115 386074529 /nfs/dbraw/zinc/07/45/29/386074529.db2.gz QMJCZPXTRGCNFQ-UHFFFAOYSA-N 1 0 244.291 2.637 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC1(C)C ZINC000414219760 387048419 /nfs/dbraw/zinc/04/84/19/387048419.db2.gz IJVOJTZBPGKFTC-GWCFXTLKSA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414098853 387018705 /nfs/dbraw/zinc/01/87/05/387018705.db2.gz JGJBPUMFSQPAIZ-MDZLAQPJSA-N 1 0 248.326 2.771 20 5 BFBDRO CC(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677577 387440291 /nfs/dbraw/zinc/44/02/91/387440291.db2.gz ZAGZHQHJONHXLM-UHFFFAOYSA-N 1 0 236.315 2.773 20 5 BFBDRO C[C@H]([NH2+]C/C=C/Cl)c1ccc([N+](=O)[O-])cc1 ZINC000296864827 387468089 /nfs/dbraw/zinc/46/80/89/387468089.db2.gz ZCWSWNRNLYOZMJ-NOKZVFQSSA-N 1 0 240.690 2.998 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CC2)cs1 ZINC000309522580 387818201 /nfs/dbraw/zinc/81/82/01/387818201.db2.gz UIDVYDYPXXTZEY-UHFFFAOYSA-N 1 0 238.312 2.689 20 5 BFBDRO CC[C@@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000036721043 388257700 /nfs/dbraw/zinc/25/77/00/388257700.db2.gz LRSTUCOYOLDCJB-GFCCVEGCSA-N 1 0 220.272 2.798 20 5 BFBDRO CC[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548783657 388369364 /nfs/dbraw/zinc/36/93/64/388369364.db2.gz OMWVYGXWUOKXPK-SNVBAGLBSA-N 1 0 234.299 2.751 20 5 BFBDRO Cc1c(C[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000174419497 388440558 /nfs/dbraw/zinc/44/05/58/388440558.db2.gz QMBRMWWDKFNDRN-JTQLQIEISA-N 1 0 234.299 2.888 20 5 BFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000193062958 388629348 /nfs/dbraw/zinc/62/93/48/388629348.db2.gz YDXLHJFQXYHYKB-UHFFFAOYSA-N 1 0 222.288 2.825 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC1 ZINC000449125380 388746223 /nfs/dbraw/zinc/74/62/23/388746223.db2.gz SBDLQQMQWANHPU-JTQLQIEISA-N 1 0 234.299 2.668 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]1C ZINC000449080469 388746435 /nfs/dbraw/zinc/74/64/35/388746435.db2.gz WLMAKINSDKVVNC-LOWVWBTDSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC1 ZINC000449101201 388746558 /nfs/dbraw/zinc/74/65/58/388746558.db2.gz DUGREOQFJFGDMD-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO CCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449066739 388746967 /nfs/dbraw/zinc/74/69/67/388746967.db2.gz FFBMROLFZWOPAV-LLVKDONJSA-N 1 0 236.315 2.916 20 5 BFBDRO Cc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000526989557 388697651 /nfs/dbraw/zinc/69/76/51/388697651.db2.gz PYUTVPGSEZTPGK-PHIMTYICSA-N 1 0 234.299 2.886 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426455012 388710841 /nfs/dbraw/zinc/71/08/41/388710841.db2.gz SAVZFWBSWSVFEP-DGCLKSJQSA-N 1 0 246.310 2.969 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000377541435 388726354 /nfs/dbraw/zinc/72/63/54/388726354.db2.gz CXMWTMLHLAKNAJ-CQSZACIVSA-N 1 0 246.310 2.969 20 5 BFBDRO CC[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000125514349 388788716 /nfs/dbraw/zinc/78/87/16/388788716.db2.gz HOBWOHCODGBAJD-NSHDSACASA-N 1 0 234.299 2.827 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCF)CCC2 ZINC000281122834 388790994 /nfs/dbraw/zinc/79/09/94/388790994.db2.gz SJJZXNSCWRXNTL-GFCCVEGCSA-N 1 0 238.262 2.531 20 5 BFBDRO CCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284261927 388827330 /nfs/dbraw/zinc/82/73/30/388827330.db2.gz WHNXBZISIPXNLU-SECBINFHSA-N 1 0 237.303 2.628 20 5 BFBDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284943969 388833207 /nfs/dbraw/zinc/83/32/07/388833207.db2.gz DYCYJRHYESHBRR-RKDXNWHRSA-N 1 0 249.314 2.626 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000342290411 135256733 /nfs/dbraw/zinc/25/67/33/135256733.db2.gz CXOQPURIMNTTFP-WDEREUQCSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000342311254 135258951 /nfs/dbraw/zinc/25/89/51/135258951.db2.gz VXHMRNYTEIWUAJ-MNOVXSKESA-N 1 0 238.262 2.575 20 5 BFBDRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000348117985 136032201 /nfs/dbraw/zinc/03/22/01/136032201.db2.gz DBDRQBCXYYFOSC-AAEUAGOBSA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348085678 136035000 /nfs/dbraw/zinc/03/50/00/136035000.db2.gz XUBUGASJSABCBC-ZIAGYGMSSA-N 1 0 246.310 2.873 20 5 BFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000111296385 397907690 /nfs/dbraw/zinc/90/76/90/397907690.db2.gz SXMYQLQBHZGVDD-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO CC(C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020306201 167382810 /nfs/dbraw/zinc/38/28/10/167382810.db2.gz WUXPRQAMSJIJLI-SNVBAGLBSA-N 1 0 222.288 2.729 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C1CCC1)C2 ZINC000557083272 411189212 /nfs/dbraw/zinc/18/92/12/411189212.db2.gz ZMFQODKNGNQBLX-UHFFFAOYSA-N 1 0 232.283 2.505 20 5 BFBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000226788096 168044347 /nfs/dbraw/zinc/04/43/47/168044347.db2.gz GFWLHMQGVBZONK-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO CC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000270112965 168116014 /nfs/dbraw/zinc/11/60/14/168116014.db2.gz DNRYFSUZVHPGHI-UHFFFAOYSA-N 1 0 232.283 2.747 20 5 BFBDRO CC1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000338953644 168189940 /nfs/dbraw/zinc/18/99/40/168189940.db2.gz UBBNWYOPINOTKD-XQRVVYSFSA-N 1 0 232.283 2.560 20 5 BFBDRO CCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000013718157 168299154 /nfs/dbraw/zinc/29/91/54/168299154.db2.gz AYZFUUAXFAZGKW-UHFFFAOYSA-N 1 0 222.288 2.873 20 5 BFBDRO Cc1c(C[NH2+]CC2(C)CC2)cccc1[N+](=O)[O-] ZINC000226388636 411416032 /nfs/dbraw/zinc/41/60/32/411416032.db2.gz UTMHMFHUZHYBCS-UHFFFAOYSA-N 1 0 234.299 2.793 20 5 BFBDRO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000070013883 169933623 /nfs/dbraw/zinc/93/36/23/169933623.db2.gz FSBLIQSQOOIRLJ-UHFFFAOYSA-N 1 0 240.328 2.888 20 5 BFBDRO CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192613620 170152098 /nfs/dbraw/zinc/15/20/98/170152098.db2.gz WVTXYNCJXNLKCB-GFCCVEGCSA-N 1 0 220.272 2.582 20 5 BFBDRO CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000042399427 170152258 /nfs/dbraw/zinc/15/22/58/170152258.db2.gz YBNYGMKUDOGVLF-WCQYABFASA-N 1 0 248.326 2.916 20 5 BFBDRO CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278603286 170166224 /nfs/dbraw/zinc/16/62/24/170166224.db2.gz ASEXVXLGVATOFO-LBPRGKRZSA-N 1 0 234.299 2.927 20 5 BFBDRO CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192613636 170167037 /nfs/dbraw/zinc/16/70/37/170167037.db2.gz WVTXYNCJXNLKCB-LBPRGKRZSA-N 1 0 220.272 2.582 20 5 BFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268920531 170896570 /nfs/dbraw/zinc/89/65/70/170896570.db2.gz JIIUJTQDLGMJQO-CYBMUJFWSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000076117772 176110625 /nfs/dbraw/zinc/11/06/25/176110625.db2.gz NAAYRAVKAKRNEZ-SNVBAGLBSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@H]([NH2+]C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000052207830 176829385 /nfs/dbraw/zinc/82/93/85/176829385.db2.gz XZHQYGRCERIFAU-VIFPVBQESA-N 1 0 220.272 2.798 20 5 BFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000035733562 176853566 /nfs/dbraw/zinc/85/35/66/176853566.db2.gz XWVNSULAEQVONM-JTQLQIEISA-N 1 0 234.299 2.525 20 5 BFBDRO C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000029131364 177108787 /nfs/dbraw/zinc/10/87/87/177108787.db2.gz PFZYNGPCNCRLFU-NSHDSACASA-N 1 0 234.299 2.622 20 5 in-vivo BFBDRO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000248347827 177167480 /nfs/dbraw/zinc/16/74/80/177167480.db2.gz NVOKELIKMCTFQL-IUCAKERBSA-N 1 0 240.328 2.887 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C1 ZINC000299569535 177169680 /nfs/dbraw/zinc/16/96/80/177169680.db2.gz BJVTXEZQVTVLGH-QWRGUYRKSA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C1 ZINC000266555439 177170215 /nfs/dbraw/zinc/17/02/15/177170215.db2.gz VRRZVOQMWNXRKG-WDEREUQCSA-N 1 0 234.299 2.998 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510149 323047075 /nfs/dbraw/zinc/04/70/75/323047075.db2.gz GPNPJPZVHDGGEE-UHTWSYAYSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000408510707 323047140 /nfs/dbraw/zinc/04/71/40/323047140.db2.gz YTZKHQPBIADYLV-YUTCNCBUSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1CCC1)C2 ZINC000534512047 323153029 /nfs/dbraw/zinc/15/30/29/323153029.db2.gz MHSLHGHKYQHUHJ-UHFFFAOYSA-N 1 0 246.310 2.753 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000537310279 324063721 /nfs/dbraw/zinc/06/37/21/324063721.db2.gz DBZFYVLUQDORRS-UHFFFAOYSA-N 1 0 232.283 2.627 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000495089558 533949915 /nfs/dbraw/zinc/94/99/15/533949915.db2.gz YQTRLZGJVBQCGH-GYSYKLTISA-N 1 0 248.326 2.771 20 5 BFBDRO Cc1c(C[NH2+][C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000829346383 582857094 /nfs/dbraw/zinc/85/70/94/582857094.db2.gz BAAFQELSJPGGMS-GFCCVEGCSA-N 1 0 232.283 2.711 20 5 BFBDRO C[C@H](C[NH2+]C[C@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464686 583988646 /nfs/dbraw/zinc/98/86/46/583988646.db2.gz OKKINZVVPCGUCR-IJLUTSLNSA-N 1 0 248.326 2.944 20 5 BFBDRO CC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876559687 584886157 /nfs/dbraw/zinc/88/61/57/584886157.db2.gz AFKCOTOQVYEPIG-UHFFFAOYSA-N 1 0 222.288 2.663 20 5 BFBDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000816649086 584981385 /nfs/dbraw/zinc/98/13/85/584981385.db2.gz TUDSVJKOLWHGOM-QWRGUYRKSA-N 1 0 234.299 2.743 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761088388 585407771 /nfs/dbraw/zinc/40/77/71/585407771.db2.gz GKLITSRXRNRGRC-SUZMYJTESA-N 1 0 232.283 2.750 20 5 BFBDRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788632332 585928172 /nfs/dbraw/zinc/92/81/72/585928172.db2.gz QGVLSAYVLSDPKQ-SECBINFHSA-N 1 0 247.298 2.546 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000791051397 585972650 /nfs/dbraw/zinc/97/26/50/585972650.db2.gz CJFIAPBZFLYUSB-CYBMUJFWSA-N 1 0 240.347 2.698 20 5 BFBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000816649228 586751598 /nfs/dbraw/zinc/75/15/98/586751598.db2.gz VYOUZDUPTZQSMA-OXTPZFROSA-N 1 0 246.310 2.948 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507494 588553470 /nfs/dbraw/zinc/55/34/70/588553470.db2.gz FOLHKOYXBMLECQ-MWLCHTKSSA-N 1 0 247.298 2.546 20 5 BFBDRO C/C=C\C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873148766 589986924 /nfs/dbraw/zinc/98/69/24/589986924.db2.gz PMOHABFFZKYKEI-PLNGDYQASA-N 1 0 234.299 2.877 20 5 BFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827702 590429407 /nfs/dbraw/zinc/42/94/07/590429407.db2.gz KJIXIRPILBEPEG-MXWKQRLJSA-N 1 0 234.299 2.901 20 5 BFBDRO Cc1ccc(C[N@@H+]2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000879009416 590677606 /nfs/dbraw/zinc/67/76/06/590677606.db2.gz XKOSMLBMSTUEBO-UHFFFAOYSA-N 1 0 246.310 2.888 20 5 BFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccoc1 ZINC000135228613 591998239 /nfs/dbraw/zinc/99/82/39/591998239.db2.gz UDQKHIHYBUOZGL-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO CC[C@]1(C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039044 592138655 /nfs/dbraw/zinc/13/86/55/592138655.db2.gz HANJVLKILBEVEE-CYBMUJFWSA-N 1 0 249.314 2.612 20 5 BFBDRO CC(C)[NH+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886102460 592155734 /nfs/dbraw/zinc/15/57/34/592155734.db2.gz HXBLGJPYDFXRNJ-UHFFFAOYSA-N 1 0 237.303 2.609 20 5 BFBDRO CC1(C)CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886157483 592165200 /nfs/dbraw/zinc/16/52/00/592165200.db2.gz BZKMKHSRSYARLK-LLVKDONJSA-N 1 0 249.314 2.658 20 5 BFBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170095 592168641 /nfs/dbraw/zinc/16/86/41/592168641.db2.gz PHJMUYVRXSBERR-JQWIXIFHSA-N 1 0 249.314 2.658 20 5 BFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239082 592183071 /nfs/dbraw/zinc/18/30/71/592183071.db2.gz OZFDOLCJFHGJDH-SNVBAGLBSA-N 1 0 249.314 2.753 20 5 BFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000886242985 592183408 /nfs/dbraw/zinc/18/34/08/592183408.db2.gz LBFUQDRRGMJWLV-UHFFFAOYSA-N 1 0 249.314 2.610 20 5 BFBDRO CC(C)CC1([NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886285830 592199992 /nfs/dbraw/zinc/19/99/92/592199992.db2.gz SZUDJMBVNJOIAJ-UHFFFAOYSA-N 1 0 249.314 2.658 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886327402 592209437 /nfs/dbraw/zinc/20/94/37/592209437.db2.gz IJHHIRIHNDICNJ-ZMLRMANQSA-N 1 0 232.283 2.608 20 5 BFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(C)CC1 ZINC000309735235 632662264 /nfs/dbraw/zinc/66/22/64/632662264.db2.gz CDNIFNZISZVLIM-QMMMGPOBSA-N 1 0 240.328 2.935 20 5 BFBDRO CC(C)[C@H]1[N@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC000899887484 637149392 /nfs/dbraw/zinc/14/93/92/637149392.db2.gz UDBIRYCDUCKYSX-GFCCVEGCSA-N 1 0 240.347 2.554 20 5 BFBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC000905218030 637699321 /nfs/dbraw/zinc/69/93/21/637699321.db2.gz MEEHQEFXSQSMGQ-AWEZNQCLSA-N 1 0 248.326 2.664 20 5 BFBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC000905218033 637699751 /nfs/dbraw/zinc/69/97/51/637699751.db2.gz MEEHQEFXSQSMGQ-CQSZACIVSA-N 1 0 248.326 2.664 20 5 BFBDRO CC(C)[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905385708 637787167 /nfs/dbraw/zinc/78/71/67/637787167.db2.gz PTLDMDLCDBCPBS-KBPBESRZSA-N 1 0 248.326 2.737 20 5 BFBDRO CC(C)[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000930537866 639805609 /nfs/dbraw/zinc/80/56/09/639805609.db2.gz HJWGAXQXKGKMBL-GFCCVEGCSA-N 1 0 236.315 2.735 20 5 BFBDRO C/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000232464888 641286356 /nfs/dbraw/zinc/28/63/56/641286356.db2.gz KTIZXGNBMGLCLH-ONEGZZNKSA-N 1 0 220.272 2.569 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000929289889 646065013 /nfs/dbraw/zinc/06/50/13/646065013.db2.gz IOFDQEQAVUEUAK-AWEZNQCLSA-N 1 0 248.326 2.880 20 5 BFBDRO Cc1ccc([C@H](C)[N@H+](C)CC[N+](=O)[O-])c(C)c1 ZINC000929325538 646079578 /nfs/dbraw/zinc/07/95/78/646079578.db2.gz IXKFPWGOYKFHOT-LBPRGKRZSA-N 1 0 236.315 2.573 20 5 BFBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930189106 646484112 /nfs/dbraw/zinc/48/41/12/646484112.db2.gz UQAVDJXFJXSOBV-LLVKDONJSA-N 1 0 242.706 2.657 20 5 BFBDRO C=C/C=C\CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000713662682 712469060 /nfs/dbraw/zinc/46/90/60/712469060.db2.gz SSJUODHVDGOANA-ARJAWSKDSA-N 1 0 246.310 2.859 20 5 BFBDRO C[N+](C)(C)CCCO[C@H]1CC2CCC1CC2 ZINC001224623304 964814598 /nfs/dbraw/zinc/81/45/98/964814598.db2.gz LWKZOCGCCIPDSL-RUXDESIVSA-N 1 0 226.384 2.678 20 5 BFBDRO CCC[C@H](OCC[N+](C)(C)C)C(C)C ZINC001224775092 964938889 /nfs/dbraw/zinc/93/88/89/964938889.db2.gz IJOJEMCXCRVKEY-LBPRGKRZSA-N 1 0 202.362 2.534 20 5 BFBDRO Cc1ccccc1CO[C@@H](C)C[N+](C)(C)C ZINC001204661823 967121355 /nfs/dbraw/zinc/12/13/55/967121355.db2.gz ZRNQTYDOHKQFAA-ZDUSSCGKSA-N 1 0 222.352 2.606 20 5 BFBDRO CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168962390 969313122 /nfs/dbraw/zinc/31/31/22/969313122.db2.gz MFYNHCNKTKGHDZ-NWDGAFQWSA-N 1 0 240.347 2.602 20 5 BFBDRO CCCC[C@@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005452 969331942 /nfs/dbraw/zinc/33/19/42/969331942.db2.gz UNWDHZXIOWBCLM-IJLUTSLNSA-N 1 0 228.336 2.600 20 5 BFBDRO CC(C)(CC1CC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990344 969345388 /nfs/dbraw/zinc/34/53/88/969345388.db2.gz BVNMYNGPDWDBTJ-VXGBXAGGSA-N 1 0 240.347 2.600 20 5 BFBDRO CC[C@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047890 969366530 /nfs/dbraw/zinc/36/65/30/969366530.db2.gz SJKLXFLIPBSSHU-AVGNSLFASA-N 1 0 240.347 2.696 20 5 BFBDRO CC(C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208751 975078381 /nfs/dbraw/zinc/07/83/81/975078381.db2.gz BNGFINFHGHANGZ-NSHDSACASA-N 1 0 236.315 2.771 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c(F)c1 ZINC001225782281 974681626 /nfs/dbraw/zinc/68/16/26/974681626.db2.gz QECYEWUCIFOFDY-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO CCC[C@H](CC)OCCC[N+](C)(C)C ZINC001224623741 973804695 /nfs/dbraw/zinc/80/46/95/973804695.db2.gz QERLGYWJTKKFQM-LBPRGKRZSA-N 1 0 202.362 2.678 20 5 BFBDRO Cc1ccc([C@@H](C)OCC[N+](C)(C)C)cc1 ZINC001224776103 973941363 /nfs/dbraw/zinc/94/13/63/973941363.db2.gz SDVGADFUPHVKJM-CYBMUJFWSA-N 1 0 222.352 2.779 20 5 BFBDRO CC[C@H](C)CC[C@H](C)OCC[N+](C)(C)C ZINC001224775486 973941873 /nfs/dbraw/zinc/94/18/73/973941873.db2.gz LQEPLRRAIBGJOK-STQMWFEESA-N 1 0 216.389 2.924 20 5 BFBDRO C[C@@H]1C[C@@H](OCC[N+](C)(C)C)CC(C)(C)C1 ZINC001224773168 973938103 /nfs/dbraw/zinc/93/81/03/973938103.db2.gz FGISIIKIMOJEHM-CHWSQXEVSA-N 1 0 228.400 2.924 20 5 BFBDRO Cc1ccc(C)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225224407 961885574 /nfs/dbraw/zinc/88/55/74/961885574.db2.gz DZPQKAGHRPJGKA-CYBMUJFWSA-N 1 0 222.352 2.777 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccncc2c1 ZINC001225452986 962149626 /nfs/dbraw/zinc/14/96/26/962149626.db2.gz HWVSSETWDUFBJH-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cccc1Cl ZINC001225865105 962878864 /nfs/dbraw/zinc/87/88/64/962878864.db2.gz PMICXFOCPYDNGK-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cnccc2c1 ZINC001226575532 963259295 /nfs/dbraw/zinc/25/92/95/963259295.db2.gz DGYXZYNEZZLWTC-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@@H]1CCC[C@H](C)[C@H]1OCCC[N+](C)(C)C ZINC001224622514 964809721 /nfs/dbraw/zinc/80/97/21/964809721.db2.gz GZCKXTVFCKFJOC-WDNDVIMCSA-N 1 0 228.400 2.924 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224621961 964810479 /nfs/dbraw/zinc/81/04/79/964810479.db2.gz DHWGXAYOKGKEGH-MCIONIFRSA-N 1 0 228.400 2.924 20 5 BFBDRO CC1(C)[C@@H]2C[C@@H](OCCC[N+](C)(C)C)C[C@@H]21 ZINC001224620734 964811298 /nfs/dbraw/zinc/81/12/98/964811298.db2.gz ALIGSRQGBACEAI-XYYAHUGASA-N 1 0 226.384 2.534 20 5 BFBDRO C[C@@H]1CC[C@H](OCC[N+](C)(C)C)C[C@H]1C ZINC001224774906 964937014 /nfs/dbraw/zinc/93/70/14/964937014.db2.gz HAEZAIPCWQZRSC-UPJWGTAASA-N 1 0 214.373 2.534 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C=CCC2)c(F)c1 ZINC000698275971 965170417 /nfs/dbraw/zinc/17/04/17/965170417.db2.gz DVCDIURSQCEIGH-JTQLQIEISA-N 1 0 236.246 2.542 20 5 BFBDRO CC(C)CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252279808 968617212 /nfs/dbraw/zinc/61/72/12/968617212.db2.gz NNERXLPITHQIFJ-UHFFFAOYSA-N 1 0 234.299 2.957 20 5 BFBDRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977247 969296895 /nfs/dbraw/zinc/29/68/95/969296895.db2.gz JCKDOXBRXPIMKV-RWMBFGLXSA-N 1 0 242.363 2.990 20 5 BFBDRO Cc1ccccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958347 969307048 /nfs/dbraw/zinc/30/70/48/969307048.db2.gz MUMGHNIECMPNTI-JSGCOSHPSA-N 1 0 248.326 2.530 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168960054 969310228 /nfs/dbraw/zinc/31/02/28/969310228.db2.gz ZNJPVGYQWWQDTL-KBPBESRZSA-N 1 0 248.326 2.530 20 5 BFBDRO CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168962389 969313340 /nfs/dbraw/zinc/31/33/40/969313340.db2.gz MFYNHCNKTKGHDZ-NEPJUHHUSA-N 1 0 240.347 2.602 20 5 BFBDRO CCCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962393 969313782 /nfs/dbraw/zinc/31/37/82/969313782.db2.gz MHKRIRIUIILJNS-NEPJUHHUSA-N 1 0 228.336 2.602 20 5 BFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005712 969330054 /nfs/dbraw/zinc/33/00/54/969330054.db2.gz CIGKZEKPXPQJPD-UONOGXRCSA-N 1 0 248.326 2.564 20 5 BFBDRO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990200 969344110 /nfs/dbraw/zinc/34/41/10/969344110.db2.gz YFELKKKOZVLYOS-WUHRBBMRSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169038272 969356326 /nfs/dbraw/zinc/35/63/26/969356326.db2.gz XOIUVCQHBJJPIO-YVECIDJPSA-N 1 0 240.347 2.552 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC=CC1 ZINC001254535418 969735506 /nfs/dbraw/zinc/73/55/06/969735506.db2.gz JOZCNIBYDNAWSD-LLVKDONJSA-N 1 0 246.310 2.834 20 5 BFBDRO CC/C=C/[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581146 969743712 /nfs/dbraw/zinc/74/37/12/969743712.db2.gz LBJJKHATQWYWGZ-MJRJWQSSSA-N 1 0 232.283 2.575 20 5 BFBDRO CC[N@H+](C(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597853 969746410 /nfs/dbraw/zinc/74/64/10/969746410.db2.gz IEFIJNRBKRCMOE-CQSZACIVSA-N 1 0 248.326 2.792 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)O[C@H]1CCc2ccccc21 ZINC001223420432 973054829 /nfs/dbraw/zinc/05/48/29/973054829.db2.gz LQRDHWXSZBFVOJ-WFASDCNBSA-N 1 0 234.363 2.785 20 5 BFBDRO CCc1ccccc1CO[C@H](C)C[N+](C)(C)C ZINC001224218673 973490130 /nfs/dbraw/zinc/49/01/30/973490130.db2.gz SYPWUIKMOJIIRZ-CYBMUJFWSA-N 1 0 236.379 2.860 20 5 BFBDRO Cc1cccc2c1CC[C@@H]2OCC[N+](C)(C)C ZINC001224771700 973937499 /nfs/dbraw/zinc/93/74/99/973937499.db2.gz QTEILNCAETUJCH-HNNXBMFYSA-N 1 0 234.363 2.705 20 5 BFBDRO CCCC[C@H](CC)OCC[N+](C)(C)C ZINC001224771078 973939474 /nfs/dbraw/zinc/93/94/74/973939474.db2.gz FNVJPONITCQZEU-LBPRGKRZSA-N 1 0 202.362 2.678 20 5 BFBDRO C[C@H]1C[C@@H](OCC[N+](C)(C)C)CC(C)(C)C1 ZINC001224773172 973939504 /nfs/dbraw/zinc/93/95/04/973939504.db2.gz FGISIIKIMOJEHM-QWHCGFSZSA-N 1 0 228.400 2.924 20 5 BFBDRO Cc1ccccc1CCO[C@H](C)C[N+](C)(C)C ZINC001224870709 974041012 /nfs/dbraw/zinc/04/10/12/974041012.db2.gz NRCZIINNNONVHO-CQSZACIVSA-N 1 0 236.379 2.649 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OCC1=CCCCC1 ZINC001224999288 974133078 /nfs/dbraw/zinc/13/30/78/974133078.db2.gz WVSABBHSNXLFAB-LBPRGKRZSA-N 1 0 212.357 2.598 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccnc2c1 ZINC001225644796 974616870 /nfs/dbraw/zinc/61/68/70/974616870.db2.gz RJGAMNVOLQUPCU-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO Cc1c(F)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001226772798 975072209 /nfs/dbraw/zinc/07/22/09/975072209.db2.gz BSYWIEWJPCUBEX-JTQLQIEISA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]1C ZINC001173211563 975076060 /nfs/dbraw/zinc/07/60/60/975076060.db2.gz SVJNHNHNDSLEAS-OPQQBVKSSA-N 1 0 234.299 2.524 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)ccc1Cl ZINC001226979607 975200033 /nfs/dbraw/zinc/20/00/33/975200033.db2.gz UKZHSSOKEQUHDG-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c2c1CCC2 ZINC001227232568 975319414 /nfs/dbraw/zinc/31/94/14/975319414.db2.gz UMDUXMIWXCKWCW-CYBMUJFWSA-N 1 0 248.390 2.957 20 5 BFBDRO Cc1ccc2c(c1)onc2O[C@@H](C)C[N+](C)(C)C ZINC001228082465 975894916 /nfs/dbraw/zinc/89/49/16/975894916.db2.gz KHSJOSKXZQMIJL-NSHDSACASA-N 1 0 249.334 2.610 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccccc2n1 ZINC001228087351 975897618 /nfs/dbraw/zinc/89/76/18/975897618.db2.gz KXZNEYCLFXHGMU-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO Cc1cc(Cl)ncc1O[C@@H](C)C[N+](C)(C)C ZINC001228533714 976294207 /nfs/dbraw/zinc/29/42/07/976294207.db2.gz YUCIIKYBJJXCCZ-JTQLQIEISA-N 1 0 243.758 2.517 20 5 BFBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)s1 ZINC001334723822 976603146 /nfs/dbraw/zinc/60/31/46/976603146.db2.gz OYIIHZGQJFFDNI-ZETCQYMHSA-N 1 0 248.735 2.719 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1O ZINC001229548520 976897449 /nfs/dbraw/zinc/89/74/49/976897449.db2.gz YXOPJXLOKWILMD-VIFPVBQESA-O 1 0 244.742 2.519 20 5 BFBDRO Cc1cc([S-])ccc1O[C@H](C)C[N+](C)(C)C ZINC001229637940 976926112 /nfs/dbraw/zinc/92/61/12/976926112.db2.gz PIYVWPRLKOCSHR-LLVKDONJSA-O 1 0 240.392 2.757 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OCC1CCCCC1 ZINC001205572581 981093880 /nfs/dbraw/zinc/09/38/80/981093880.db2.gz IDDOAPCRLPOBIK-GFCCVEGCSA-N 1 0 214.373 2.678 20 5 BFBDRO CC[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC001473403215 983882867 /nfs/dbraw/zinc/88/28/67/983882867.db2.gz SLSQXGYXMYNKDP-WDEREUQCSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)CC1 ZINC001254531603 986676581 /nfs/dbraw/zinc/67/65/81/986676581.db2.gz HZZBHHKJWRZEAT-JTQLQIEISA-N 1 0 234.299 2.668 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)CC1 ZINC001254531604 986677901 /nfs/dbraw/zinc/67/79/01/986677901.db2.gz HZZBHHKJWRZEAT-SNVBAGLBSA-N 1 0 234.299 2.668 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(SCC[NH+](C)C)c1 ZINC001559140029 991043147 /nfs/dbraw/zinc/04/31/47/991043147.db2.gz VBGCEZRZAKMYSP-UHFFFAOYSA-N 1 0 240.328 2.557 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)CN(CC1CCC1)C2 ZINC001318784647 991717724 /nfs/dbraw/zinc/71/77/24/991717724.db2.gz NODFZPFBMXSLAE-UHFFFAOYSA-N 1 0 232.283 2.711 20 5 BFBDRO Cc1c(C[N@H+]2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293429253 398194328 /nfs/dbraw/zinc/19/43/28/398194328.db2.gz NPKDQTPOZYSJRG-ONGXEEELSA-N 1 0 234.299 2.743 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C(C)C ZINC000183227768 178271899 /nfs/dbraw/zinc/27/18/99/178271899.db2.gz IWXHLYKPSTZGOL-UHFFFAOYSA-N 1 0 222.288 2.743 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000449742774 398315174 /nfs/dbraw/zinc/31/51/74/398315174.db2.gz RADSOIBNGCUWHH-JSGCOSHPSA-N 1 0 246.310 2.731 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2F)cc1 ZINC000339585665 398332752 /nfs/dbraw/zinc/33/27/52/398332752.db2.gz YHVNRBQEXHGNOI-VXGBXAGGSA-N 1 0 238.262 2.575 20 5 BFBDRO CC1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076015364 344020722 /nfs/dbraw/zinc/02/07/22/344020722.db2.gz LSPOOOLSDQLQGP-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CCC3)C2)cc1 ZINC000348713567 136293762 /nfs/dbraw/zinc/29/37/62/136293762.db2.gz WNRBPBQNKRNJAC-UHFFFAOYSA-N 1 0 246.310 2.827 20 5 BFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000610133471 343662747 /nfs/dbraw/zinc/66/27/47/343662747.db2.gz RRPZRJYNCITLPK-WDEREUQCSA-N 1 0 234.299 2.825 20 5 BFBDRO CC1(C)CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000284292707 343923733 /nfs/dbraw/zinc/92/37/33/343923733.db2.gz KIUOSIIHRSPOBU-CYBMUJFWSA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)([NH2+]CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000175985138 344196520 /nfs/dbraw/zinc/19/65/20/344196520.db2.gz MXNMFWOXZHXYGY-UHFFFAOYSA-N 1 0 234.299 2.830 20 5 BFBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092471342 344296956 /nfs/dbraw/zinc/29/69/56/344296956.db2.gz REGHANLTBKOOCG-SNVBAGLBSA-N 1 0 234.299 2.745 20 5 BFBDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000601286958 345246841 /nfs/dbraw/zinc/24/68/41/345246841.db2.gz CKXUKIOJUMVRAN-VIFPVBQESA-N 1 0 240.278 2.994 20 5 BFBDRO Cc1ccc([C@H](C)[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000020086274 178888652 /nfs/dbraw/zinc/88/86/52/178888652.db2.gz KMGNGFKDYYUZFR-JTQLQIEISA-N 1 0 234.299 2.964 20 5 BFBDRO Cc1ccc(C[N@@H+]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449427291 201918287 /nfs/dbraw/zinc/91/82/87/201918287.db2.gz RIMZEUYQFQSWCI-ZDUSSCGKSA-N 1 0 246.310 2.888 20 5 BFBDRO CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492709 348062784 /nfs/dbraw/zinc/06/27/84/348062784.db2.gz ZJHPVDQWOYSTEO-NSHDSACASA-N 1 0 220.272 2.582 20 5 BFBDRO C[C@@H](CF)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594607450 348081302 /nfs/dbraw/zinc/08/13/02/348081302.db2.gz VKTZZYBULISDCT-GZMMTYOYSA-N 1 0 238.262 2.530 20 5 BFBDRO CCCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290270 348213377 /nfs/dbraw/zinc/21/33/77/348213377.db2.gz XXKIKSKIYJSDKB-UHFFFAOYSA-N 1 0 240.278 2.966 20 5 BFBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595301386 348218958 /nfs/dbraw/zinc/21/89/58/348218958.db2.gz JTNGITVFYMWTRJ-VIFPVBQESA-N 1 0 238.262 2.576 20 5 BFBDRO Cc1c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595808582 348348752 /nfs/dbraw/zinc/34/87/52/348348752.db2.gz OCSKISLPAJGHFC-DGCLKSJQSA-N 1 0 246.310 2.745 20 5 BFBDRO CC12CC(C1)C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595915770 348400549 /nfs/dbraw/zinc/40/05/49/348400549.db2.gz NIVCMOCIIRESDA-UHFFFAOYSA-N 1 0 232.283 2.579 20 5 BFBDRO CC(C)=CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000191625977 538040192 /nfs/dbraw/zinc/04/01/92/538040192.db2.gz PDWGJQUHDYSTIP-UHFFFAOYSA-N 1 0 220.272 2.651 20 5 BFBDRO Cc1c(C[NH2+]C[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000159182628 349421183 /nfs/dbraw/zinc/42/11/83/349421183.db2.gz UGRRDRQXVFMZBR-JOYOIKCWSA-N 1 0 234.299 2.649 20 5 BFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094774239 362981757 /nfs/dbraw/zinc/98/17/57/362981757.db2.gz UESBAFPUWZETGX-UHFFFAOYSA-N 1 0 240.278 2.964 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403518126 352611327 /nfs/dbraw/zinc/61/13/27/352611327.db2.gz KBSMZQUKJPFAJO-JHJVBQTASA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccco2)c1 ZINC000035121603 355835027 /nfs/dbraw/zinc/83/50/27/355835027.db2.gz BMGOTONBGUTLAH-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000420271487 192197674 /nfs/dbraw/zinc/19/76/74/192197674.db2.gz CRZCYYKKRVURJD-GHMZBOCLSA-N 1 0 249.314 2.524 20 5 BFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089108356 356935811 /nfs/dbraw/zinc/93/58/11/356935811.db2.gz XOUFWFPAZVQRRB-QWRGUYRKSA-N 1 0 249.314 2.524 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000582736971 357377529 /nfs/dbraw/zinc/37/75/29/357377529.db2.gz MTQATXOMZHNXOK-BTTYYORXSA-N 1 0 246.310 2.791 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCCC2)cc1 ZINC000035677539 358087906 /nfs/dbraw/zinc/08/79/06/358087906.db2.gz BFUPZCOCQZVKPG-UHFFFAOYSA-N 1 0 234.299 2.670 20 5 BFBDRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451105133 202350839 /nfs/dbraw/zinc/35/08/39/202350839.db2.gz RWLOKZIBEHXXAD-GXSJLCMTSA-N 1 0 240.278 2.994 20 5 BFBDRO CC(C)[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000077897092 370492893 /nfs/dbraw/zinc/49/28/93/370492893.db2.gz XIRLJTJXODITNT-LLVKDONJSA-N 1 0 236.315 2.977 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCC2CC2)cs1 ZINC000124951988 371259245 /nfs/dbraw/zinc/25/92/45/371259245.db2.gz KKTACTHTVJDJKS-UHFFFAOYSA-N 1 0 240.328 2.936 20 5 BFBDRO Cc1ccc(C[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC000125252929 371309567 /nfs/dbraw/zinc/30/95/67/371309567.db2.gz QMTILETXDZAZMN-UHFFFAOYSA-N 1 0 232.283 2.711 20 5 BFBDRO CC[C@@H](C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131352278 371593878 /nfs/dbraw/zinc/59/38/78/371593878.db2.gz GPOLQFWISAPDDU-LLVKDONJSA-N 1 0 248.326 2.999 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000602704051 371832685 /nfs/dbraw/zinc/83/26/85/371832685.db2.gz BDYLTJWFVWBPJL-TZMCWYRMSA-N 1 0 246.310 2.670 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH+]2C3CCC2CC3)cc1 ZINC000603871323 371937524 /nfs/dbraw/zinc/93/75/24/371937524.db2.gz NWIAIJPSFZNCDW-UHFFFAOYSA-N 1 0 246.310 2.764 20 5 BFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133024100 371972624 /nfs/dbraw/zinc/97/26/24/371972624.db2.gz KZQQCZDNEQJMEY-SNVBAGLBSA-N 1 0 234.299 2.731 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCC2)cc1 ZINC000035677739 182928763 /nfs/dbraw/zinc/92/87/63/182928763.db2.gz XGOIKPFDMXQASK-UHFFFAOYSA-N 1 0 234.299 2.527 20 5 BFBDRO CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000082382642 169254823 /nfs/dbraw/zinc/25/48/23/169254823.db2.gz PWWQJVSUMPLHAT-FNORWQNLSA-N 1 0 220.272 2.608 20 5 BFBDRO CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020084290 169275539 /nfs/dbraw/zinc/27/55/39/169275539.db2.gz ZOROKFHVQVUOPZ-JTQLQIEISA-N 1 0 222.288 2.964 20 5 BFBDRO CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176705 169277197 /nfs/dbraw/zinc/27/71/97/169277197.db2.gz NQPUGXHEUBOYRM-VIFPVBQESA-N 1 0 208.261 2.655 20 5 BFBDRO CC1(C)C[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000226254803 134362088 /nfs/dbraw/zinc/36/20/88/134362088.db2.gz CMUKTDODMTZSRS-SECBINFHSA-N 1 0 240.328 2.792 20 5 BFBDRO CCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000165467970 384111633 /nfs/dbraw/zinc/11/16/33/384111633.db2.gz IZZHJEBJACJGDX-UHFFFAOYSA-N 1 0 240.328 2.936 20 5 BFBDRO C[C@H]([NH2+]CCCCF)c1ccccc1[N+](=O)[O-] ZINC000285600767 384140869 /nfs/dbraw/zinc/14/08/69/384140869.db2.gz LISKVKAQIGGHMO-JTQLQIEISA-N 1 0 240.278 2.995 20 5 BFBDRO C[C@@H]([NH2+]CCCCF)c1ccccc1[N+](=O)[O-] ZINC000285600776 384141000 /nfs/dbraw/zinc/14/10/00/384141000.db2.gz LISKVKAQIGGHMO-SNVBAGLBSA-N 1 0 240.278 2.995 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)cs1 ZINC000309489103 384533006 /nfs/dbraw/zinc/53/30/06/384533006.db2.gz HTAYSZABSTZUCI-RKDXNWHRSA-N 1 0 244.291 2.637 20 5 BFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCC1 ZINC000082829138 384576009 /nfs/dbraw/zinc/57/60/09/384576009.db2.gz PYFAZGLNQABLPA-UHFFFAOYSA-N 1 0 240.690 2.890 20 5 BFBDRO CCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047703422 384673793 /nfs/dbraw/zinc/67/37/93/384673793.db2.gz LGCQPDCBWPNGOK-SNVBAGLBSA-N 1 0 222.288 2.998 20 5 BFBDRO Cc1ccc(C[NH2+]CCCCF)cc1[N+](=O)[O-] ZINC000310323461 384773013 /nfs/dbraw/zinc/77/30/13/384773013.db2.gz ZNAQXFRXULZJAB-UHFFFAOYSA-N 1 0 240.278 2.743 20 5 BFBDRO CC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726133 385125150 /nfs/dbraw/zinc/12/51/50/385125150.db2.gz FFMXFLPWPCHTSN-JTQLQIEISA-N 1 0 222.288 2.525 20 5 BFBDRO Cc1c(C[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000263772592 385137372 /nfs/dbraw/zinc/13/73/72/385137372.db2.gz WTNVFOSIKDNBKY-JTQLQIEISA-N 1 0 234.299 2.745 20 5 BFBDRO CC[NH+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176990611 385187237 /nfs/dbraw/zinc/18/72/37/385187237.db2.gz FVSNSEUKIHLROO-UHFFFAOYSA-N 1 0 249.270 2.578 20 5 BFBDRO CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000309355028 385548026 /nfs/dbraw/zinc/54/80/26/385548026.db2.gz CGSOYLAOGZSCEY-MRVPVSSYSA-N 1 0 226.251 2.622 20 5 BFBDRO CC(C)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000293145711 385736503 /nfs/dbraw/zinc/73/65/03/385736503.db2.gz UPEUUVMOZRIAAA-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO CCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332703049 385904268 /nfs/dbraw/zinc/90/42/68/385904268.db2.gz MWNUKGIFZCYHIL-UHFFFAOYSA-N 1 0 249.314 2.538 20 5 BFBDRO CC(F)(F)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294276772 385979043 /nfs/dbraw/zinc/97/90/43/385979043.db2.gz SJYINHYMQWWGJM-UHFFFAOYSA-N 1 0 244.241 2.730 20 5 BFBDRO CC[NH+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183222325 386361873 /nfs/dbraw/zinc/36/18/73/386361873.db2.gz IQALYKSWHJYXCZ-UHFFFAOYSA-N 1 0 222.288 2.745 20 5 BFBDRO Cc1ccc(C[NH2+]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000339493449 386446435 /nfs/dbraw/zinc/44/64/35/386446435.db2.gz HLZYIMQCCHPAMA-SNVBAGLBSA-N 1 0 240.278 2.741 20 5 BFBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000129682763 386511398 /nfs/dbraw/zinc/51/13/98/386511398.db2.gz PFDBCRDIIHMMOR-NHCYSSNCSA-N 1 0 234.299 2.901 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000152625266 387344052 /nfs/dbraw/zinc/34/40/52/387344052.db2.gz PNUAWPYJJGIXCA-CHWSQXEVSA-N 1 0 246.310 2.827 20 5 BFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C(C)C ZINC000212216092 256636488 /nfs/dbraw/zinc/63/64/88/256636488.db2.gz HHEBNZLGZYBZNA-XFFZJAGNSA-N 1 0 234.299 2.996 20 5 BFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774371 388393712 /nfs/dbraw/zinc/39/37/12/388393712.db2.gz PRDJEZBOYIJKPO-UHFFFAOYSA-N 1 0 238.262 2.576 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153022182 388395380 /nfs/dbraw/zinc/39/53/80/388395380.db2.gz FZFCAXAQFJBPBS-VXGBXAGGSA-N 1 0 246.310 2.827 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2CC2)C2CC2)c1 ZINC000076348673 388399063 /nfs/dbraw/zinc/39/90/63/388399063.db2.gz RPMGVJGFIVCVKM-UHFFFAOYSA-N 1 0 246.310 2.969 20 5 BFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000077325600 388675172 /nfs/dbraw/zinc/67/51/72/388675172.db2.gz RNEDKAWBHIVGKP-QMMMGPOBSA-N 1 0 240.328 2.887 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H]1C ZINC000449080470 388746457 /nfs/dbraw/zinc/74/64/57/388746457.db2.gz WLMAKINSDKVVNC-NQBHXWOUSA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC1 ZINC000449101202 388746562 /nfs/dbraw/zinc/74/65/62/388746562.db2.gz DUGREOQFJFGDMD-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000449421476 388749765 /nfs/dbraw/zinc/74/97/65/388749765.db2.gz AKZKFAHKPWQVTH-ZDUSSCGKSA-N 1 0 232.283 2.579 20 5 BFBDRO CCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020040560 388752870 /nfs/dbraw/zinc/75/28/70/388752870.db2.gz OVNOYNOJZPDXIO-JTQLQIEISA-N 1 0 222.288 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC12CC2 ZINC000424181554 388695267 /nfs/dbraw/zinc/69/52/67/388695267.db2.gz CGCDOYMRIKKTDC-DXTPNHAXSA-N 1 0 244.294 2.750 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC3)CC2)cc1 ZINC000371341138 388697120 /nfs/dbraw/zinc/69/71/20/388697120.db2.gz LTPNPPULCPYRKG-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080460652 388709415 /nfs/dbraw/zinc/70/94/15/388709415.db2.gz UVERNKIIMNUJHU-PWSUYJOCSA-N 1 0 234.299 2.873 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000068450380 388712403 /nfs/dbraw/zinc/71/24/03/388712403.db2.gz VXYXKZRGDKJUQL-SNVBAGLBSA-N 1 0 222.288 2.825 20 5 BFBDRO Cc1c([C@H](C)[NH2+]CCF)cccc1[N+](=O)[O-] ZINC000280887016 388788057 /nfs/dbraw/zinc/78/80/57/388788057.db2.gz BIDHDEPLVDISFM-VIFPVBQESA-N 1 0 226.251 2.523 20 5 BFBDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849576 388826684 /nfs/dbraw/zinc/82/66/84/388826684.db2.gz BDSRWHIZCIWNKY-BDAKNGLRSA-N 1 0 237.303 2.626 20 5 BFBDRO C[N@H+](CCCCF)Cc1ccccc1[N+](=O)[O-] ZINC000285045623 388834024 /nfs/dbraw/zinc/83/40/24/388834024.db2.gz CKCNFICHQVQDKB-UHFFFAOYSA-N 1 0 240.278 2.776 20 5 BFBDRO CC[C@H](C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153382376 388967035 /nfs/dbraw/zinc/96/70/35/388967035.db2.gz SQSSCEYJSPIITO-NSHDSACASA-N 1 0 248.326 2.999 20 5 BFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000177868118 134303339 /nfs/dbraw/zinc/30/33/39/134303339.db2.gz DZEWYGRYBVKGDG-NWDGAFQWSA-N 1 0 248.326 2.868 20 5 BFBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000261558773 135199498 /nfs/dbraw/zinc/19/94/98/135199498.db2.gz DJKTZRCPIBWDRR-UHFFFAOYSA-N 1 0 249.314 2.668 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342279268 135255711 /nfs/dbraw/zinc/25/57/11/135255711.db2.gz DFKPYDOBDFKFKE-WDEREUQCSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000342311253 135258633 /nfs/dbraw/zinc/25/86/33/135258633.db2.gz VXHMRNYTEIWUAJ-GHMZBOCLSA-N 1 0 238.262 2.575 20 5 BFBDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000348077356 136034391 /nfs/dbraw/zinc/03/43/91/136034391.db2.gz NSJLZRCHZXKOES-YPMHNXCESA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348085673 136034719 /nfs/dbraw/zinc/03/47/19/136034719.db2.gz XUBUGASJSABCBC-KGLIPLIRSA-N 1 0 246.310 2.873 20 5 BFBDRO CC1=CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000280779094 168099527 /nfs/dbraw/zinc/09/95/27/168099527.db2.gz IAOZZDZPXVBHJI-UHFFFAOYSA-N 1 0 232.283 2.747 20 5 BFBDRO CC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000270335499 168115396 /nfs/dbraw/zinc/11/53/96/168115396.db2.gz MQFMAQISZFUHKH-UHFFFAOYSA-N 1 0 232.283 2.747 20 5 BFBDRO CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000338396419 168183055 /nfs/dbraw/zinc/18/30/55/168183055.db2.gz FITOHPRPQUXXJQ-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000042399419 170151122 /nfs/dbraw/zinc/15/11/22/170151122.db2.gz YBNYGMKUDOGVLF-DGCLKSJQSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677537 170751608 /nfs/dbraw/zinc/75/16/08/170751608.db2.gz WYIDOHIKFGJYPE-SNVBAGLBSA-N 1 0 222.288 2.525 20 5 BFBDRO CC[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675935 171284894 /nfs/dbraw/zinc/28/48/94/171284894.db2.gz AXWUIJQYABHLHU-NSHDSACASA-N 1 0 236.315 2.773 20 5 BFBDRO CC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310361924 171285616 /nfs/dbraw/zinc/28/56/16/171285616.db2.gz TXUYPBRHWGOCEW-VIFPVBQESA-N 1 0 240.278 2.870 20 5 BFBDRO CC[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015559 171286012 /nfs/dbraw/zinc/28/60/12/171286012.db2.gz AYYFEDFHLVBAHQ-JTQLQIEISA-N 1 0 222.288 2.731 20 5 BFBDRO CC[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282531683 171307725 /nfs/dbraw/zinc/30/77/25/171307725.db2.gz VBVOQBGLSMHOMA-NSHDSACASA-N 1 0 236.315 2.868 20 5 BFBDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849583 171346491 /nfs/dbraw/zinc/34/64/91/171346491.db2.gz BDSRWHIZCIWNKY-IUCAKERBSA-N 1 0 237.303 2.626 20 5 BFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271446856 171523954 /nfs/dbraw/zinc/52/39/54/171523954.db2.gz FTAKNRZSVPPMAD-AWEZNQCLSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267020721 176176382 /nfs/dbraw/zinc/17/63/82/176176382.db2.gz KAQXYDIQUOPZCN-SECBINFHSA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459721 176213199 /nfs/dbraw/zinc/21/31/99/176213199.db2.gz OHDOEDIOWICFMD-DGCLKSJQSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000080460296 176213406 /nfs/dbraw/zinc/21/34/06/176213406.db2.gz XARYTWIRXXTDDW-ZYHUDNBSSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309051155 176217687 /nfs/dbraw/zinc/21/76/87/176217687.db2.gz PVWHUTYMSIMKNL-APPZFPTMSA-N 1 0 226.301 2.544 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000336684008 176378335 /nfs/dbraw/zinc/37/83/35/176378335.db2.gz FMHANOJMWLGGIB-GIPNMCIBSA-N 1 0 234.299 2.729 20 5 BFBDRO C[C@H]([NH2+]CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176789 176838326 /nfs/dbraw/zinc/83/83/26/176838326.db2.gz VUFMYGKJPCJOHY-VIFPVBQESA-N 1 0 220.272 2.655 20 5 BFBDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340462825 176852021 /nfs/dbraw/zinc/85/20/21/176852021.db2.gz PYKQWXXXOOFUJX-ZJUUUORDSA-N 1 0 240.278 2.994 20 5 BFBDRO C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000042975701 177077691 /nfs/dbraw/zinc/07/76/91/177077691.db2.gz OPCPVIGJIWJVIO-NSHDSACASA-N 1 0 234.299 2.969 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000076117773 177110695 /nfs/dbraw/zinc/11/06/95/177110695.db2.gz NAAYRAVKAKRNEZ-JTQLQIEISA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000174410894 177110927 /nfs/dbraw/zinc/11/09/27/177110927.db2.gz NPBZOQQPZMWRHD-JTQLQIEISA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000071205903 177126356 /nfs/dbraw/zinc/12/63/56/177126356.db2.gz BARKSIDVUZVMAT-GWCFXTLKSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070827907 177126816 /nfs/dbraw/zinc/12/68/16/177126816.db2.gz JUAAPYNUZLTWCL-WPRPVWTQSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352733515 177156885 /nfs/dbraw/zinc/15/68/85/177156885.db2.gz RYCXRXRATGYMNT-RNZFLTOJSA-N 1 0 246.310 2.950 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459722 177193459 /nfs/dbraw/zinc/19/34/59/177193459.db2.gz OHDOEDIOWICFMD-WCQYABFASA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000488348391 225380731 /nfs/dbraw/zinc/38/07/31/225380731.db2.gz MJNKDAGULOQOLX-JQWIXIFHSA-N 1 0 234.299 2.683 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897953268 584063851 /nfs/dbraw/zinc/06/38/51/584063851.db2.gz OETAVFPGCRLRSX-FPMFFAJLSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000899869150 584244014 /nfs/dbraw/zinc/24/40/14/584244014.db2.gz AZDHCYJFOHICHR-UHFFFAOYSA-N 1 0 248.326 2.579 20 5 BFBDRO C[C@H]([NH2+]C1CC=CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788632333 585928242 /nfs/dbraw/zinc/92/82/42/585928242.db2.gz QGVLSAYVLSDPKQ-VIFPVBQESA-N 1 0 247.298 2.546 20 5 BFBDRO CCC1C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877579636 590364394 /nfs/dbraw/zinc/36/43/94/590364394.db2.gz WURHZJFMQDMSKQ-UHFFFAOYSA-N 1 0 234.299 2.745 20 5 BFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886027046 592135618 /nfs/dbraw/zinc/13/56/18/592135618.db2.gz BPGHVJFCUMJDKH-PWSUYJOCSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028832 592136012 /nfs/dbraw/zinc/13/60/12/592136012.db2.gz YHYIWUUAXNIYBM-MNOVXSKESA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170094 592168921 /nfs/dbraw/zinc/16/89/21/592168921.db2.gz PHJMUYVRXSBERR-CMPLNLGQSA-N 1 0 249.314 2.658 20 5 BFBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239081 592183021 /nfs/dbraw/zinc/18/30/21/592183021.db2.gz OZFDOLCJFHGJDH-JTQLQIEISA-N 1 0 249.314 2.753 20 5 BFBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886271158 592191805 /nfs/dbraw/zinc/19/18/05/592191805.db2.gz ZCLBJPNQLHBQNG-UHFFFAOYSA-N 1 0 237.303 2.610 20 5 BFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000051634413 635209672 /nfs/dbraw/zinc/20/96/72/635209672.db2.gz PGZLAOCOHCAYKO-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932274515 635639076 /nfs/dbraw/zinc/63/90/76/635639076.db2.gz IENITMZVQVMVOR-OCCSQVGLSA-N 1 0 248.326 2.531 20 5 BFBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089108350 636375213 /nfs/dbraw/zinc/37/52/13/636375213.db2.gz VYMLIZBUTRWJHU-MFKMUULPSA-N 1 0 249.314 2.524 20 5 BFBDRO C[C@H]1CCCc2ccccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905211724 637698437 /nfs/dbraw/zinc/69/84/37/637698437.db2.gz FKIVAUBUJGRBQX-FZMZJTMJSA-N 1 0 248.326 2.566 20 5 BFBDRO C[C@H](C1CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353049 639721343 /nfs/dbraw/zinc/72/13/43/639721343.db2.gz FBVJYRGVOXCIBK-LLVKDONJSA-N 1 0 248.326 2.868 20 5 BFBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000930700002 639866131 /nfs/dbraw/zinc/86/61/31/639866131.db2.gz MDYKLDBAKVVUQN-ZIAGYGMSSA-N 1 0 248.326 2.531 20 5 BFBDRO Cc1cccc([C@@H]([NH2+]CC[N+](=O)[O-])C(C)C)c1 ZINC000931257633 640118680 /nfs/dbraw/zinc/11/86/80/640118680.db2.gz SBWZZYPZQVBLJP-ZDUSSCGKSA-N 1 0 236.315 2.558 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC([NH3+])CC2)c1 ZINC000094659266 644723310 /nfs/dbraw/zinc/72/33/10/644723310.db2.gz LUJAJNAYPNTXPR-UHFFFAOYSA-N 1 0 249.314 2.585 20 5 BFBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929632182 646213069 /nfs/dbraw/zinc/21/30/69/646213069.db2.gz WFYSVDWDXUMCHY-CYBMUJFWSA-N 1 0 236.315 2.592 20 5 BFBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930189107 646472708 /nfs/dbraw/zinc/47/27/08/646472708.db2.gz UQAVDJXFJXSOBV-NSHDSACASA-N 1 0 242.706 2.657 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[C@H](OCCC[N+](C)(C)C)C1 ZINC001224621962 964809832 /nfs/dbraw/zinc/80/98/32/964809832.db2.gz DHWGXAYOKGKEGH-MGPQQGTHSA-N 1 0 228.400 2.924 20 5 BFBDRO CC[C@@H](C)C[C@@H](CC)OCC[N+](C)(C)C ZINC001224772751 964935401 /nfs/dbraw/zinc/93/54/01/964935401.db2.gz CENINFRQAUDVKM-CHWSQXEVSA-N 1 0 216.389 2.924 20 5 BFBDRO CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168961694 969312066 /nfs/dbraw/zinc/31/20/66/969312066.db2.gz JQLYSGFDKZRNEH-NWDGAFQWSA-N 1 0 240.347 2.744 20 5 BFBDRO C[C@@H]1CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006932 969328591 /nfs/dbraw/zinc/32/85/91/969328591.db2.gz KJKDOZAUTZCOAO-AGIUHOORSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1F ZINC001226698253 975030852 /nfs/dbraw/zinc/03/08/52/975030852.db2.gz RBFYTZLEWSTAFO-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO CSc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001228154395 975960408 /nfs/dbraw/zinc/96/04/08/975960408.db2.gz GUKDZLQKQVPIDT-NSHDSACASA-N 1 0 240.392 2.882 20 5 BFBDRO CCCC[C@H](C)OCCC[N+](C)(C)C ZINC001224620836 973802580 /nfs/dbraw/zinc/80/25/80/973802580.db2.gz GINGNOWQNONOCN-LBPRGKRZSA-N 1 0 202.362 2.678 20 5 BFBDRO CC(C)C(OCCC[N+](C)(C)C)C(C)C ZINC001224623362 973804852 /nfs/dbraw/zinc/80/48/52/973804852.db2.gz MWBPXYTUTKZFMP-UHFFFAOYSA-N 1 0 216.389 2.780 20 5 BFBDRO C[C@@H](Cc1ccccc1)OCCC[N+](C)(C)C ZINC001224624586 973809028 /nfs/dbraw/zinc/80/90/28/973809028.db2.gz XUGMOYAGUAMBBT-AWEZNQCLSA-N 1 0 236.379 2.731 20 5 BFBDRO CC(C)CCC[C@H](C)OCC[N+](C)(C)C ZINC001224776214 973942207 /nfs/dbraw/zinc/94/22/07/973942207.db2.gz SYDHDWGYWBQUBW-ZDUSSCGKSA-N 1 0 216.389 2.924 20 5 BFBDRO C[C@@H](OCC[N+](C)(C)C)c1cccnc1Cl ZINC001224770829 973938092 /nfs/dbraw/zinc/93/80/92/973938092.db2.gz CLUMSBLJLYAHKX-SNVBAGLBSA-N 1 0 243.758 2.519 20 5 BFBDRO CCc1cc(Nc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001204439795 957421952 /nfs/dbraw/zinc/42/19/52/957421952.db2.gz LRIQCPPBOUNLFR-UHFFFAOYSA-N 1 0 243.266 2.718 20 5 BFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001225775201 962818998 /nfs/dbraw/zinc/81/89/98/962818998.db2.gz QNJUHANPIWUFQM-NSHDSACASA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@@H]1CC(OCC[N+](C)(C)C)C[C@@H](C)C1 ZINC001224772005 964935172 /nfs/dbraw/zinc/93/51/72/964935172.db2.gz VOORBECIPCFCEX-RYUDHWBXSA-N 1 0 214.373 2.534 20 5 BFBDRO CC[C@H](C[C@@H](C)CC)OCC[N+](C)(C)C ZINC001224772756 964935270 /nfs/dbraw/zinc/93/52/70/964935270.db2.gz CENINFRQAUDVKM-QWHCGFSZSA-N 1 0 216.389 2.924 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC001168955779 969305238 /nfs/dbraw/zinc/30/52/38/969305238.db2.gz CGOSXZBCGZZBRM-AAEUAGOBSA-N 1 0 240.347 2.744 20 5 BFBDRO Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958349 969306340 /nfs/dbraw/zinc/30/63/40/969306340.db2.gz MUMGHNIECMPNTI-TZMCWYRMSA-N 1 0 248.326 2.530 20 5 BFBDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959967 969309475 /nfs/dbraw/zinc/30/94/75/969309475.db2.gz YIQUVHBUHZUGCP-UONOGXRCSA-N 1 0 248.326 2.530 20 5 BFBDRO CCCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962395 969312520 /nfs/dbraw/zinc/31/25/20/969312520.db2.gz MHKRIRIUIILJNS-RYUDHWBXSA-N 1 0 228.336 2.602 20 5 BFBDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965318 969317681 /nfs/dbraw/zinc/31/76/81/969317681.db2.gz ZQEYAHMJFZCNMF-MROQNXINSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968475 969321661 /nfs/dbraw/zinc/32/16/61/969321661.db2.gz ZJACCSWLSVBXEO-BZPMIXESSA-N 1 0 248.326 2.783 20 5 BFBDRO CCCC(CCC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975831 969324597 /nfs/dbraw/zinc/32/45/97/969324597.db2.gz XLRNHMHRKKNDHA-DGCLKSJQSA-N 1 0 242.363 2.990 20 5 BFBDRO CCC[N@H+](CC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009659 969334073 /nfs/dbraw/zinc/33/40/73/969334073.db2.gz WXHPVJKQQRCISU-STQMWFEESA-N 1 0 240.347 2.554 20 5 BFBDRO CCC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013045 969338322 /nfs/dbraw/zinc/33/83/22/969338322.db2.gz SZGXMSIMTZOBMW-OLZOCXBDSA-N 1 0 240.347 2.554 20 5 BFBDRO CC(C)(CC1CC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990339 969345356 /nfs/dbraw/zinc/34/53/56/969345356.db2.gz BVNMYNGPDWDBTJ-NEPJUHHUSA-N 1 0 240.347 2.600 20 5 BFBDRO CC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037549 969355179 /nfs/dbraw/zinc/35/51/79/969355179.db2.gz SJKLXFLIPBSSHU-UPJWGTAASA-N 1 0 240.347 2.696 20 5 BFBDRO CC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037550 969355479 /nfs/dbraw/zinc/35/54/79/969355479.db2.gz SJKLXFLIPBSSHU-XQQFMLRXSA-N 1 0 240.347 2.696 20 5 BFBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044565 969361625 /nfs/dbraw/zinc/36/16/25/969361625.db2.gz IKDDBXDZYDYDCZ-AVGNSLFASA-N 1 0 240.347 2.552 20 5 BFBDRO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047891 969365244 /nfs/dbraw/zinc/36/52/44/969365244.db2.gz SJKLXFLIPBSSHU-FRRDWIJNSA-N 1 0 240.347 2.696 20 5 BFBDRO CC(C)[N@H+](CC1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026401 969366973 /nfs/dbraw/zinc/36/69/73/969366973.db2.gz LRUSAKSDODPAFK-QWHCGFSZSA-N 1 0 240.347 2.552 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(C)C1 ZINC001254550949 969737582 /nfs/dbraw/zinc/73/75/82/969737582.db2.gz TXJBWNSTCDJIPH-LLVKDONJSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1C ZINC001254552034 969738773 /nfs/dbraw/zinc/73/87/73/969738773.db2.gz IFRLWNJYDGZTLT-WDEREUQCSA-N 1 0 234.299 2.620 20 5 BFBDRO CC(C)[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569873 969740289 /nfs/dbraw/zinc/74/02/89/969740289.db2.gz ZTFVIYLMGPWSSN-GWCFXTLKSA-N 1 0 248.326 2.696 20 5 BFBDRO CCC[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575383 969741148 /nfs/dbraw/zinc/74/11/48/969741148.db2.gz QIPAURLCCMLNIQ-GWCFXTLKSA-N 1 0 248.326 2.840 20 5 BFBDRO CCC(C)(C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565193 969742376 /nfs/dbraw/zinc/74/23/76/969742376.db2.gz CCOAFPRMEIGCLU-GFCCVEGCSA-N 1 0 248.326 2.840 20 5 BFBDRO C[C@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600852 969745232 /nfs/dbraw/zinc/74/52/32/969745232.db2.gz WANHCVKASVXBAZ-HZMBPMFUSA-N 1 0 246.310 2.546 20 5 BFBDRO Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC001210949689 970083390 /nfs/dbraw/zinc/08/33/90/970083390.db2.gz LXFBVXNCKVAYAD-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO Cc1c[nH+]ccc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211189143 970168498 /nfs/dbraw/zinc/16/84/98/970168498.db2.gz RUNPIUYJRJRGKR-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO Cc1[nH+]cc(Nc2ccc(C)cc2[N+](=O)[O-])n1C ZINC001214169322 970448040 /nfs/dbraw/zinc/44/80/40/970448040.db2.gz HGZRRNRTOATNAG-UHFFFAOYSA-N 1 0 246.270 2.689 20 5 BFBDRO Cc1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1C ZINC001222851317 972713316 /nfs/dbraw/zinc/71/33/16/972713316.db2.gz YIIDXSQZZKWNAU-AWEZNQCLSA-N 1 0 236.379 2.915 20 5 BFBDRO Cc1ccc(C)c(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001222908357 972739812 /nfs/dbraw/zinc/73/98/12/972739812.db2.gz JQTIZXRFCIYYPB-AWEZNQCLSA-N 1 0 236.379 2.915 20 5 BFBDRO C[N+](C)(C)CCCO[C@H]1CCCc2cccnc21 ZINC001224618871 973802339 /nfs/dbraw/zinc/80/23/39/973802339.db2.gz JQIWGNZMPYMOPK-AWEZNQCLSA-N 1 0 249.378 2.572 20 5 BFBDRO CC(C)C[C@H](C)OCCC[N+](C)(C)C ZINC001224622535 973804971 /nfs/dbraw/zinc/80/49/71/973804971.db2.gz HWYVQGCSODHXEH-LBPRGKRZSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@@H]1CCC[C@@H](C)C1OCCC[N+](C)(C)C ZINC001224622506 973805770 /nfs/dbraw/zinc/80/57/70/973805770.db2.gz GZCKXTVFCKFJOC-CHWSQXEVSA-N 1 0 228.400 2.924 20 5 BFBDRO CC(C)CC[C@@H](C)OCC[N+](C)(C)C ZINC001224776279 973940712 /nfs/dbraw/zinc/94/07/12/973940712.db2.gz UKQOVLJTLQJLQM-GFCCVEGCSA-N 1 0 202.362 2.534 20 5 BFBDRO Cc1c[nH]c2cccc(O[C@@H](C)C[N+](C)(C)C)c12 ZINC001225391772 974461648 /nfs/dbraw/zinc/46/16/48/974461648.db2.gz AWMUMPMCXNVVLD-LBPRGKRZSA-N 1 0 247.362 2.950 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ccccc21 ZINC001225744878 974668149 /nfs/dbraw/zinc/66/81/49/974668149.db2.gz NFPOAGHOOQXEDL-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO Cc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001225897319 974720177 /nfs/dbraw/zinc/72/01/77/974720177.db2.gz NHRNQOSAFMTASK-JTQLQIEISA-N 1 0 244.305 2.747 20 5 BFBDRO Cc1ccc(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225994028 974757489 /nfs/dbraw/zinc/75/74/89/974757489.db2.gz CQEFCJWNJXYZDY-NSHDSACASA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2ccccc2c1 ZINC001226661830 975008459 /nfs/dbraw/zinc/00/84/59/975008459.db2.gz SNUNOARFYPSDRW-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CC1 ZINC001173217145 975071596 /nfs/dbraw/zinc/07/15/96/975071596.db2.gz PXLMFKNBECCVAC-JTQLQIEISA-N 1 0 234.299 2.668 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C1 ZINC001173221533 975075236 /nfs/dbraw/zinc/07/52/36/975075236.db2.gz JQKFEAUCHGBABE-NWDGAFQWSA-N 1 0 248.326 2.868 20 5 BFBDRO CCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211610 975076574 /nfs/dbraw/zinc/07/65/74/975076574.db2.gz UIJSAPFDEFRCIL-LLVKDONJSA-N 1 0 236.315 2.916 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C12CC(C1)C2 ZINC001173212961 975076628 /nfs/dbraw/zinc/07/66/28/975076628.db2.gz DLAHWLNXVNNCHI-JKDOVBDQSA-N 1 0 246.310 2.668 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CC1 ZINC001173210489 975076924 /nfs/dbraw/zinc/07/69/24/975076924.db2.gz LHNIMPRQNSLZHN-MNOVXSKESA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C ZINC001173210342 975077273 /nfs/dbraw/zinc/07/72/73/975077273.db2.gz JGORZOYZPPRTLQ-MDZLAQPJSA-N 1 0 248.326 2.771 20 5 BFBDRO CC[NH+](CC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230614 975078447 /nfs/dbraw/zinc/07/84/47/975078447.db2.gz ZCRDSGFTKXYARL-LLVKDONJSA-N 1 0 236.315 2.868 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC=CC1 ZINC001173214503 975080581 /nfs/dbraw/zinc/08/05/81/975080581.db2.gz OCXKMUNWGZDBFE-NSHDSACASA-N 1 0 246.310 2.834 20 5 BFBDRO Cc1ccc2c(c1)onc2O[C@H](C)C[N+](C)(C)C ZINC001228082464 975894361 /nfs/dbraw/zinc/89/43/61/975894361.db2.gz KHSJOSKXZQMIJL-LLVKDONJSA-N 1 0 249.334 2.610 20 5 BFBDRO Cc1cc2cc(O[C@@H](C)C[N+](C)(C)C)ccc2[nH]1 ZINC001228451654 976221374 /nfs/dbraw/zinc/22/13/74/976221374.db2.gz YDVJIVRBESPQMK-LBPRGKRZSA-N 1 0 247.362 2.950 20 5 BFBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)s1 ZINC001334723821 976604087 /nfs/dbraw/zinc/60/40/87/976604087.db2.gz OYIIHZGQJFFDNI-SSDOTTSWSA-N 1 0 248.735 2.719 20 5 BFBDRO CC(C)c1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001234493527 978848164 /nfs/dbraw/zinc/84/81/64/978848164.db2.gz ACUJXPIWIKRISZ-LBPRGKRZSA-N 1 0 237.367 2.679 20 5 BFBDRO CC(C)(C)C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1(C)C ZINC001307834413 995479151 /nfs/dbraw/zinc/47/91/51/995479151.db2.gz HEXMXMMMZMNXLQ-LLVKDONJSA-N 1 0 242.363 2.800 20 5 BFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382479034 398173629 /nfs/dbraw/zinc/17/36/29/398173629.db2.gz DUPBTNGTOXXZGT-QWRGUYRKSA-N 1 0 249.314 2.585 20 5 BFBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000162760120 178173827 /nfs/dbraw/zinc/17/38/27/178173827.db2.gz AWVCZRZPZTYPBO-UHFFFAOYSA-N 1 0 243.266 2.910 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCCC2)c1 ZINC000037252262 361782114 /nfs/dbraw/zinc/78/21/14/361782114.db2.gz JQPYYADLJYQRTI-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133320 343663255 /nfs/dbraw/zinc/66/32/55/343663255.db2.gz DHMOOQQSPFWUCR-MNOVXSKESA-N 1 0 234.299 2.825 20 5 BFBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000133826504 178613962 /nfs/dbraw/zinc/61/39/62/178613962.db2.gz BXMZLWUZJFSOIK-ZYHUDNBSSA-N 1 0 234.299 2.649 20 5 BFBDRO CC/C=C\C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000395251250 344132753 /nfs/dbraw/zinc/13/27/53/344132753.db2.gz SWPDVZMWMLRIGH-PLNGDYQASA-N 1 0 234.299 2.959 20 5 BFBDRO Cc1cn(Cc2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000601080455 344142305 /nfs/dbraw/zinc/14/23/05/344142305.db2.gz PFQMWHJWLDPBCO-UHFFFAOYSA-N 1 0 249.245 2.596 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)C1 ZINC000449180058 201831659 /nfs/dbraw/zinc/83/16/59/201831659.db2.gz YJTWLJOBGDVGJJ-AKJDGMEZSA-N 1 0 248.326 2.914 20 5 BFBDRO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC=CC1 ZINC000594509711 348064862 /nfs/dbraw/zinc/06/48/62/348064862.db2.gz LFSDBXAOFCJPPE-UHFFFAOYSA-N 1 0 238.312 2.855 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595363490 348230541 /nfs/dbraw/zinc/23/05/41/348230541.db2.gz DMFFCJGQEHDAMT-SECBINFHSA-N 1 0 240.278 2.964 20 5 BFBDRO CC12CC(C1)C[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000595914557 348399895 /nfs/dbraw/zinc/39/98/95/348399895.db2.gz BULMODMSKLSSQZ-UHFFFAOYSA-N 1 0 232.283 2.579 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CC=CC1 ZINC000598993094 349073084 /nfs/dbraw/zinc/07/30/84/349073084.db2.gz RAKOESMWGQRZHM-UHFFFAOYSA-N 1 0 246.310 2.959 20 5 BFBDRO C/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000599005237 349074823 /nfs/dbraw/zinc/07/48/23/349074823.db2.gz NSOHHFHHLWLLAR-ARJAWSKDSA-N 1 0 220.272 2.569 20 5 BFBDRO CCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000233019848 350671673 /nfs/dbraw/zinc/67/16/73/350671673.db2.gz IYDAJNDSYJIPNQ-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO CC[NH+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000051589466 350753906 /nfs/dbraw/zinc/75/39/06/350753906.db2.gz FHPMCTVOSLPRIE-UHFFFAOYSA-N 1 0 222.288 2.745 20 5 BFBDRO CC1(C)C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338710542 188190037 /nfs/dbraw/zinc/19/00/37/188190037.db2.gz VQAYGYHCBZWDEY-SCXUMTSISA-N 1 0 246.310 2.996 20 5 BFBDRO CC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000232875952 353979573 /nfs/dbraw/zinc/97/95/73/353979573.db2.gz XODJTLKMVTYVDM-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO CC(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267009343 354097612 /nfs/dbraw/zinc/09/76/12/354097612.db2.gz GXGAHESUGOHBBO-UHFFFAOYSA-N 1 0 240.278 2.822 20 5 BFBDRO [NH3+][C@H]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000420275234 192198112 /nfs/dbraw/zinc/19/81/12/192198112.db2.gz GOPYPHLECNYTHI-QWRGUYRKSA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC=CCC2)cc1 ZINC000088748518 356802583 /nfs/dbraw/zinc/80/25/83/356802583.db2.gz RRXPIWACKSQOQP-ZDUSSCGKSA-N 1 0 246.310 2.836 20 5 BFBDRO CC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000385045285 356875009 /nfs/dbraw/zinc/87/50/09/356875009.db2.gz RVMABMKUZJAOQT-ARJAWSKDSA-N 1 0 220.272 2.651 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000610133469 357222108 /nfs/dbraw/zinc/22/21/08/357222108.db2.gz RRPZRJYNCITLPK-MNOVXSKESA-N 1 0 234.299 2.825 20 5 BFBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)cc1 ZINC000180441618 366454100 /nfs/dbraw/zinc/45/41/00/366454100.db2.gz HAYWESOILCFOSO-UHFFFAOYSA-N 1 0 241.250 2.684 20 5 BFBDRO C[C@H]1C[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000580469159 359572812 /nfs/dbraw/zinc/57/28/12/359572812.db2.gz NIFKLVFEUYNAIG-AAEUAGOBSA-N 1 0 248.326 2.725 20 5 BFBDRO CC(C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000065961440 361083910 /nfs/dbraw/zinc/08/39/10/361083910.db2.gz LKJHRZGCXMRIMY-UHFFFAOYSA-N 1 0 236.315 2.725 20 5 BFBDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493617 366832043 /nfs/dbraw/zinc/83/20/43/366832043.db2.gz NMDBECMBLHLMJU-BREBYQMCSA-N 1 0 246.310 2.828 20 5 BFBDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579493619 366832215 /nfs/dbraw/zinc/83/22/15/366832215.db2.gz NMDBECMBLHLMJU-GIPNMCIBSA-N 1 0 246.310 2.828 20 5 BFBDRO CC(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000065684165 368626608 /nfs/dbraw/zinc/62/66/08/368626608.db2.gz AHFWRELBIGNGDK-UHFFFAOYSA-N 1 0 222.288 2.683 20 5 BFBDRO CCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072583655 368773965 /nfs/dbraw/zinc/77/39/65/368773965.db2.gz UFFAYVFNJACYKY-SNVBAGLBSA-N 1 0 222.288 2.998 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCC2CC2)cc1 ZINC000161560732 370383558 /nfs/dbraw/zinc/38/35/58/370383558.db2.gz DQNVNXOIVCETDO-UHFFFAOYSA-N 1 0 248.326 2.917 20 5 BFBDRO Cc1ccc(C[NH2+]C(C)(C)CF)cc1[N+](=O)[O-] ZINC000349824084 370545077 /nfs/dbraw/zinc/54/50/77/370545077.db2.gz XZILUNBHKCRYGB-UHFFFAOYSA-N 1 0 240.278 2.741 20 5 BFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000070011513 371002951 /nfs/dbraw/zinc/00/29/51/371002951.db2.gz FYSFTMTUQRUUID-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO C[C@H]([NH2+]C1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000125027347 371277923 /nfs/dbraw/zinc/27/79/23/371277923.db2.gz PWEXXSIYSLZVGW-JTQLQIEISA-N 1 0 232.283 2.964 20 5 BFBDRO CC[C@H](C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131352441 371594051 /nfs/dbraw/zinc/59/40/51/371594051.db2.gz GPOLQFWISAPDDU-NSHDSACASA-N 1 0 248.326 2.999 20 5 BFBDRO C[C@H]1C[C@@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415667 371631330 /nfs/dbraw/zinc/63/13/30/371631330.db2.gz OPFJKWKNLFZJDX-CMPLNLGQSA-N 1 0 246.310 2.609 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000602677467 371830207 /nfs/dbraw/zinc/83/02/07/371830207.db2.gz HYWGXSMDUKGEAJ-AWEZNQCLSA-N 1 0 246.310 2.622 20 5 BFBDRO CC1CC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602714883 371833159 /nfs/dbraw/zinc/83/31/59/371833159.db2.gz JXBPAQMVHJQAAO-UHFFFAOYSA-N 1 0 248.326 2.773 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000130682823 182930954 /nfs/dbraw/zinc/93/09/54/182930954.db2.gz JIVGXZLEHOLRDW-UHFFFAOYSA-N 1 0 246.310 2.875 20 5 BFBDRO CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525879 169287361 /nfs/dbraw/zinc/28/73/61/169287361.db2.gz IKAOZTKDOAJHJV-SECBINFHSA-N 1 0 208.261 2.655 20 5 BFBDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310239680 384059811 /nfs/dbraw/zinc/05/98/11/384059811.db2.gz CQYCKYPVKRGONW-NSHDSACASA-N 1 0 238.262 2.622 20 5 BFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000336684011 384252373 /nfs/dbraw/zinc/25/23/73/384252373.db2.gz FMHANOJMWLGGIB-NRUUGDAUSA-N 1 0 234.299 2.729 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000602717793 384334932 /nfs/dbraw/zinc/33/49/32/384334932.db2.gz CGGURRNKUBQFRM-WDNDVIMCSA-N 1 0 246.310 2.525 20 5 BFBDRO CC1(C)CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000395163844 384485257 /nfs/dbraw/zinc/48/52/57/384485257.db2.gz BERHMPPJYPEJHW-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000337641555 384556915 /nfs/dbraw/zinc/55/69/15/384556915.db2.gz GPNPJPZVHDGGEE-KGYLQXTDSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(C2CC2)CC1 ZINC000541596134 385468911 /nfs/dbraw/zinc/46/89/11/385468911.db2.gz IRPOMJILYZCZHN-UHFFFAOYSA-N 1 0 232.283 2.627 20 5 BFBDRO CC[C@H]1CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000292320535 385650378 /nfs/dbraw/zinc/65/03/78/385650378.db2.gz FHJSGBUMRACIKQ-LBPRGKRZSA-N 1 0 234.299 2.622 20 5 BFBDRO CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000292333048 385654899 /nfs/dbraw/zinc/65/48/99/385654899.db2.gz GEJNTZIFAGCQLK-NSHDSACASA-N 1 0 220.272 2.579 20 5 BFBDRO CC[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236899407 385691018 /nfs/dbraw/zinc/69/10/18/385691018.db2.gz ZZLYTXSUHHLKHA-LXSSAFMLSA-N 1 0 234.299 2.996 20 5 BFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086119119 385695461 /nfs/dbraw/zinc/69/54/61/385695461.db2.gz LWHVFGPWLBNPNX-ZDUSSCGKSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000322008240 385910816 /nfs/dbraw/zinc/91/08/16/385910816.db2.gz IDTVLUZHKVZFPC-JFGNBEQYSA-N 1 0 234.299 2.729 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C=CCCC2)cc1 ZINC000151173961 386597786 /nfs/dbraw/zinc/59/77/86/386597786.db2.gz YKTQPVODTQFBIS-GFCCVEGCSA-N 1 0 232.283 2.793 20 5 BFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000267049281 386749361 /nfs/dbraw/zinc/74/93/61/386749361.db2.gz QHIXSBLZCPPLKF-UHFFFAOYSA-N 1 0 238.262 2.576 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000321453244 387195120 /nfs/dbraw/zinc/19/51/20/387195120.db2.gz FTQJGHPDEBJWMK-GYSYKLTISA-N 1 0 248.326 2.771 20 5 BFBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000252020870 388392917 /nfs/dbraw/zinc/39/29/17/388392917.db2.gz YGXDNASCTSUZJO-SNVBAGLBSA-N 1 0 234.299 2.825 20 5 BFBDRO Cc1ccc([C@@H](C)[NH2+]CCF)cc1[N+](=O)[O-] ZINC000271772247 388403862 /nfs/dbraw/zinc/40/38/62/388403862.db2.gz JBDKBAVVSPNMJB-SECBINFHSA-N 1 0 226.251 2.523 20 5 BFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000173913796 388431897 /nfs/dbraw/zinc/43/18/97/388431897.db2.gz YCCAZUUWXIMWSF-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449061732 388746391 /nfs/dbraw/zinc/74/63/91/388746391.db2.gz JQMQTKWFPAHAPH-WDEREUQCSA-N 1 0 248.326 2.914 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449423206 388749597 /nfs/dbraw/zinc/74/95/97/388749597.db2.gz GZANSOYBAKCKCH-GFCCVEGCSA-N 1 0 232.283 2.579 20 5 BFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449552458 388750842 /nfs/dbraw/zinc/75/08/42/388750842.db2.gz JPHYDQYCUBOFTK-JSGCOSHPSA-N 1 0 248.326 2.977 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000527238707 388697256 /nfs/dbraw/zinc/69/72/56/388697256.db2.gz QBQDUENFBVTBCF-PHIMTYICSA-N 1 0 234.299 2.886 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080460655 388710042 /nfs/dbraw/zinc/71/00/42/388710042.db2.gz UVERNKIIMNUJHU-JQWIXIFHSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1ccc(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000092107055 388733235 /nfs/dbraw/zinc/73/32/35/388733235.db2.gz ROHUXPQSFJFQPX-UHFFFAOYSA-N 1 0 234.299 2.889 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000123612512 388733889 /nfs/dbraw/zinc/73/38/89/388733889.db2.gz MTNWQNDBFVZBQM-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000282363574 388816164 /nfs/dbraw/zinc/81/61/64/388816164.db2.gz DNFOGYZZQOIZMT-UHFFFAOYSA-N 1 0 248.326 2.869 20 5 BFBDRO C[C@]1(F)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000334302089 135346740 /nfs/dbraw/zinc/34/67/40/135346740.db2.gz ZLZGLYWMHRKVGB-LBPRGKRZSA-N 1 0 238.262 2.529 20 5 BFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089108352 135529642 /nfs/dbraw/zinc/52/96/42/135529642.db2.gz VYMLIZBUTRWJHU-GWCFXTLKSA-N 1 0 249.314 2.524 20 5 BFBDRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000348123580 136033088 /nfs/dbraw/zinc/03/30/88/136033088.db2.gz VHFHRSUMMKHJCU-OCCSQVGLSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H]([NH2+]C/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC000180451562 487609374 /nfs/dbraw/zinc/60/93/74/487609374.db2.gz NXVNGTZOBDASQI-BSPAPZMXSA-N 1 0 240.690 2.998 20 5 BFBDRO CC(C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085544 167133063 /nfs/dbraw/zinc/13/30/63/167133063.db2.gz IZIJIOPQAWXJHZ-VIFPVBQESA-N 1 0 208.261 2.654 20 5 BFBDRO CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000228444002 170172121 /nfs/dbraw/zinc/17/21/21/170172121.db2.gz ICBWYJWMCODIGW-UHFFFAOYSA-N 1 0 231.255 2.883 20 5 BFBDRO CC[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675934 170706899 /nfs/dbraw/zinc/70/68/99/170706899.db2.gz AXWUIJQYABHLHU-LLVKDONJSA-N 1 0 236.315 2.773 20 5 BFBDRO CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000292333043 171025097 /nfs/dbraw/zinc/02/50/97/171025097.db2.gz GEJNTZIFAGCQLK-LLVKDONJSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000066405602 176018844 /nfs/dbraw/zinc/01/88/44/176018844.db2.gz ALKKNZARQQAXLB-JTQLQIEISA-N 1 0 220.272 2.752 20 5 BFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C1 ZINC000299569529 176019038 /nfs/dbraw/zinc/01/90/38/176019038.db2.gz BJVTXEZQVTVLGH-MNOVXSKESA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000071205902 176131990 /nfs/dbraw/zinc/13/19/90/176131990.db2.gz BARKSIDVUZVMAT-MFKMUULPSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000103347522 176150582 /nfs/dbraw/zinc/15/05/82/176150582.db2.gz DOXMNZISAIJATK-ZYHUDNBSSA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310263978 176217351 /nfs/dbraw/zinc/21/73/51/176217351.db2.gz IEEWJCBQPDDBGZ-PELKAZGASA-N 1 0 238.262 2.622 20 5 BFBDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080459716 176232993 /nfs/dbraw/zinc/23/29/93/176232993.db2.gz OHDOEDIOWICFMD-YPMHNXCESA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000051634411 176876956 /nfs/dbraw/zinc/87/69/56/176876956.db2.gz PGZLAOCOHCAYKO-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000177909720 177165363 /nfs/dbraw/zinc/16/53/63/177165363.db2.gz XDURKVFYQSCCHB-WDEREUQCSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C1 ZINC000266555435 177169882 /nfs/dbraw/zinc/16/98/82/177169882.db2.gz VRRZVOQMWNXRKG-QWRGUYRKSA-N 1 0 234.299 2.998 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000080460300 177193440 /nfs/dbraw/zinc/19/34/40/177193440.db2.gz XARYTWIRXXTDDW-CMPLNLGQSA-N 1 0 234.299 2.873 20 5 BFBDRO CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000086228653 535451897 /nfs/dbraw/zinc/45/18/97/535451897.db2.gz OKYDFEHJZCDUAC-JXMROGBWSA-N 1 0 220.272 2.608 20 5 BFBDRO CC(C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466181 583988664 /nfs/dbraw/zinc/98/86/64/583988664.db2.gz PNXGPVGUNMZBMZ-JTQLQIEISA-N 1 0 222.288 2.696 20 5 BFBDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000816649085 584981462 /nfs/dbraw/zinc/98/14/62/584981462.db2.gz TUDSVJKOLWHGOM-MNOVXSKESA-N 1 0 234.299 2.743 20 5 BFBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000816649227 586751217 /nfs/dbraw/zinc/75/12/17/586751217.db2.gz VYOUZDUPTZQSMA-ONYUAGEFSA-N 1 0 246.310 2.948 20 5 BFBDRO C/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862530141 589218140 /nfs/dbraw/zinc/21/81/40/589218140.db2.gz JHEBHXULHRPSPN-NSCUHMNNSA-N 1 0 240.690 2.914 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCCC1 ZINC000873009301 589978901 /nfs/dbraw/zinc/97/89/01/589978901.db2.gz JJLIVJCKJIICOW-UHFFFAOYSA-N 1 0 234.299 2.807 20 5 BFBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000873138031 589986506 /nfs/dbraw/zinc/98/65/06/589986506.db2.gz ARUKZSVMWQRASY-DABQJJPHSA-N 1 0 246.310 2.791 20 5 BFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886102603 592155406 /nfs/dbraw/zinc/15/54/06/592155406.db2.gz LDDVEGJRFWFSRS-ZYHUDNBSSA-N 1 0 249.314 2.753 20 5 BFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886102600 592155799 /nfs/dbraw/zinc/15/57/99/592155799.db2.gz LDDVEGJRFWFSRS-CMPLNLGQSA-N 1 0 249.314 2.753 20 5 BFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886143303 592163027 /nfs/dbraw/zinc/16/30/27/592163027.db2.gz ZDHBUNQPVFCLFP-JQWIXIFHSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCC1 ZINC000886183706 592171534 /nfs/dbraw/zinc/17/15/34/592171534.db2.gz LLUIBONMDAGLKJ-UHFFFAOYSA-N 1 0 249.314 2.612 20 5 BFBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932274509 635639770 /nfs/dbraw/zinc/63/97/70/635639770.db2.gz IENITMZVQVMVOR-JSGCOSHPSA-N 1 0 248.326 2.531 20 5 BFBDRO Cc1ccc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000051694133 631868516 /nfs/dbraw/zinc/86/85/16/631868516.db2.gz MKFCIRCDCDUHRX-UHFFFAOYSA-N 1 0 249.314 2.585 20 5 BFBDRO Cc1c(C[NH2+]C/C=C/Cl)cccc1[N+](=O)[O-] ZINC000235755903 632826493 /nfs/dbraw/zinc/82/64/93/632826493.db2.gz YMVBCVLMOKWOFP-ZZXKWVIFSA-N 1 0 240.690 2.745 20 5 BFBDRO C[C@H](CCC1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905121126 637627641 /nfs/dbraw/zinc/62/76/41/637627641.db2.gz LCSHQEZWJVNADG-LLVKDONJSA-N 1 0 228.336 2.602 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000905228692 637688364 /nfs/dbraw/zinc/68/83/64/637688364.db2.gz GHNVTJIDHNRURC-KGLIPLIRSA-N 1 0 248.326 2.579 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000905228690 637689034 /nfs/dbraw/zinc/68/90/34/637689034.db2.gz GHNVTJIDHNRURC-KBPBESRZSA-N 1 0 248.326 2.579 20 5 BFBDRO C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905211726 637697227 /nfs/dbraw/zinc/69/72/27/637697227.db2.gz FKIVAUBUJGRBQX-SMDDNHRTSA-N 1 0 248.326 2.566 20 5 BFBDRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932178545 640448963 /nfs/dbraw/zinc/44/89/63/640448963.db2.gz PFDBCRDIIHMMOR-CKYFFXLPSA-N 1 0 234.299 2.901 20 5 BFBDRO Cc1cccc([N+](=O)[O-])c1NC1CCC([NH3+])CC1 ZINC000158639336 641644091 /nfs/dbraw/zinc/64/40/91/641644091.db2.gz GRTOHOVUWGWFFA-UHFFFAOYSA-N 1 0 249.314 2.585 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774255 644727003 /nfs/dbraw/zinc/72/70/03/644727003.db2.gz ATUWALHSDZIQPN-SECBINFHSA-N 1 0 240.278 2.964 20 5 BFBDRO Cc1c(C[NH2+]CC[C@@H](C)F)cccc1[N+](=O)[O-] ZINC000702629123 712057073 /nfs/dbraw/zinc/05/70/73/712057073.db2.gz FODDDITWEZBLNN-SECBINFHSA-N 1 0 240.278 2.741 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000700565329 711995910 /nfs/dbraw/zinc/99/59/10/711995910.db2.gz NSABTAJJKXXNMG-LBPRGKRZSA-N 1 0 232.283 2.711 20 5 BFBDRO C[N@H+](CCCF)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000716640118 712568546 /nfs/dbraw/zinc/56/85/46/712568546.db2.gz SIPPSLCMVKNEES-UHFFFAOYSA-N 1 0 244.241 2.525 20 5 BFBDRO CCCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168991293 969343633 /nfs/dbraw/zinc/34/36/33/969343633.db2.gz GDIFHNAOHQQWJM-VXGBXAGGSA-N 1 0 240.347 2.744 20 5 BFBDRO CCC[N@H+](CC[N+](=O)[O-])CC1CCCCC1 ZINC001190492284 980881989 /nfs/dbraw/zinc/88/19/89/980881989.db2.gz ASLOMLXKYHDCFT-UHFFFAOYSA-N 1 0 228.336 2.555 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(F)c(F)c1 ZINC001225910514 974724791 /nfs/dbraw/zinc/72/47/91/974724791.db2.gz CQIOXQVJJNZOLK-MRVPVSSYSA-N 1 0 248.268 2.577 20 5 BFBDRO C[N+](C)(C)CCCO[C@@H]1CCC=CCCC1 ZINC001224623327 973804799 /nfs/dbraw/zinc/80/47/99/973804799.db2.gz MKHHRVKLBUAQMW-CQSZACIVSA-N 1 0 226.384 2.988 20 5 BFBDRO Cc1ccc2c(c1)[C@@H](OCC[N+](C)(C)C)CC2 ZINC001224770985 973938222 /nfs/dbraw/zinc/93/82/22/973938222.db2.gz DMIFFJUFXBEXIO-HNNXBMFYSA-N 1 0 234.363 2.705 20 5 BFBDRO CC(C)C[C@H](OCC[N+](C)(C)C)C(C)C ZINC001224776211 973943286 /nfs/dbraw/zinc/94/32/86/973943286.db2.gz SXPJECCYBHLEQE-ZDUSSCGKSA-N 1 0 216.389 2.780 20 5 BFBDRO C[C@@H]1CC[C@@H](C)[C@H](OCC[N+](C)(C)C)C1 ZINC001224775816 973943383 /nfs/dbraw/zinc/94/33/83/973943383.db2.gz PRFVAWQWYRCPEX-JHJVBQTASA-N 1 0 214.373 2.534 20 5 BFBDRO Cc1ccc(C)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225224408 961883269 /nfs/dbraw/zinc/88/32/69/961883269.db2.gz DZPQKAGHRPJGKA-ZDUSSCGKSA-N 1 0 222.352 2.777 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cnccc21 ZINC001225296633 962067051 /nfs/dbraw/zinc/06/70/51/962067051.db2.gz ONWMZOVYAXEPBN-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1CCC2 ZINC001226794107 963359698 /nfs/dbraw/zinc/35/96/98/963359698.db2.gz GUZJBUGAQVCJQE-LBPRGKRZSA-N 1 0 234.363 2.649 20 5 BFBDRO C[C@@H](OCC[N+](C)(C)C)c1cccc(F)c1 ZINC001224771658 964935106 /nfs/dbraw/zinc/93/51/06/964935106.db2.gz QFOJDVHVKQEETH-LLVKDONJSA-N 1 0 226.315 2.610 20 5 BFBDRO CC(C)[C@H]1CC[C@H](OCC[N+](C)(C)C)CC1 ZINC001224772773 964936578 /nfs/dbraw/zinc/93/65/78/964936578.db2.gz CHIBZGYBLAMONN-HDJSIYSDSA-N 1 0 228.400 2.924 20 5 BFBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976758 969296207 /nfs/dbraw/zinc/29/62/07/969296207.db2.gz GGHARJARYHQIRG-CYDGBPFRSA-N 1 0 242.363 2.846 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168985637 969301692 /nfs/dbraw/zinc/30/16/92/969301692.db2.gz UJQZMZHMAINMAU-LPWJVIDDSA-N 1 0 240.347 2.600 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168985634 969302450 /nfs/dbraw/zinc/30/24/50/969302450.db2.gz UJQZMZHMAINMAU-CYDGBPFRSA-N 1 0 240.347 2.600 20 5 BFBDRO Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958346 969307924 /nfs/dbraw/zinc/30/79/24/969307924.db2.gz MUMGHNIECMPNTI-GXTWGEPZSA-N 1 0 248.326 2.530 20 5 BFBDRO CCCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962394 969313748 /nfs/dbraw/zinc/31/37/48/969313748.db2.gz MHKRIRIUIILJNS-NWDGAFQWSA-N 1 0 228.336 2.602 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001168966845 969318809 /nfs/dbraw/zinc/31/88/09/969318809.db2.gz LPTGHWXOMQRRTE-OLZOCXBDSA-N 1 0 240.347 2.602 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968478 969321594 /nfs/dbraw/zinc/32/15/94/969321594.db2.gz ZJACCSWLSVBXEO-MBNYWOFBSA-N 1 0 248.326 2.783 20 5 BFBDRO C[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006933 969330885 /nfs/dbraw/zinc/33/08/85/969330885.db2.gz KJKDOZAUTZCOAO-FRRDWIJNSA-N 1 0 240.347 2.554 20 5 BFBDRO CCCC[N@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008042 969332754 /nfs/dbraw/zinc/33/27/54/969332754.db2.gz QXOGNBBUABQOHI-VXGBXAGGSA-N 1 0 228.336 2.554 20 5 BFBDRO CCC[N@H+](CC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009656 969334960 /nfs/dbraw/zinc/33/49/60/969334960.db2.gz WXHPVJKQQRCISU-CHWSQXEVSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012279 969338572 /nfs/dbraw/zinc/33/85/72/969338572.db2.gz OXHFRXHXBZJJON-JHJVBQTASA-N 1 0 240.347 2.554 20 5 BFBDRO CC1(C)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169027850 969349086 /nfs/dbraw/zinc/34/90/86/969349086.db2.gz RBRGDORMKOYNMJ-VXGBXAGGSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169030272 969353410 /nfs/dbraw/zinc/35/34/10/969353410.db2.gz XTQBWTURNFPNJP-FVCCEPFGSA-N 1 0 240.347 2.552 20 5 BFBDRO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169038271 969355037 /nfs/dbraw/zinc/35/50/37/969355037.db2.gz XOIUVCQHBJJPIO-MROQNXINSA-N 1 0 240.347 2.552 20 5 BFBDRO CCC(CC)[N@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039054 969355095 /nfs/dbraw/zinc/35/50/95/969355095.db2.gz MVOADQSAAJKUSL-DGCLKSJQSA-N 1 0 242.363 2.942 20 5 BFBDRO CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038942 969357282 /nfs/dbraw/zinc/35/72/82/969357282.db2.gz LSKOKUXYUVEQPM-AGIUHOORSA-N 1 0 240.347 2.554 20 5 BFBDRO CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038945 969357774 /nfs/dbraw/zinc/35/77/74/969357774.db2.gz LSKOKUXYUVEQPM-UPJWGTAASA-N 1 0 240.347 2.554 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCCC1)C2 ZINC001254567296 969740238 /nfs/dbraw/zinc/74/02/38/969740238.db2.gz ASALMELHTJNROY-ZDUSSCGKSA-N 1 0 246.310 2.594 20 5 BFBDRO CC[C@H](C)[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594326 969743062 /nfs/dbraw/zinc/74/30/62/969743062.db2.gz PQOZWGSHVPOOEI-HZMBPMFUSA-N 1 0 248.326 2.792 20 5 BFBDRO CCCC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597843 969745735 /nfs/dbraw/zinc/74/57/35/969745735.db2.gz IDGVDGWXTANYMQ-AWEZNQCLSA-N 1 0 248.326 2.794 20 5 BFBDRO Cc1ccc(CO[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001222854017 972716213 /nfs/dbraw/zinc/71/62/13/972716213.db2.gz KEZKALRLFZKMMZ-CQSZACIVSA-N 1 0 236.379 2.915 20 5 BFBDRO C[C@H](C[N+](C)(C)C)O[C@H](C)c1ccccc1 ZINC001223446987 973074552 /nfs/dbraw/zinc/07/45/52/973074552.db2.gz VFXMAZFKENFPEY-CHWSQXEVSA-N 1 0 222.352 2.859 20 5 BFBDRO CC(C)[C@@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224620474 973801996 /nfs/dbraw/zinc/80/19/96/973801996.db2.gz YUNYSRBQQHGKNU-SNVBAGLBSA-N 1 0 242.305 2.686 20 5 BFBDRO CC[C@@H](OCCC[N+](C)(C)C)C(C)C ZINC001224621228 973802823 /nfs/dbraw/zinc/80/28/23/973802823.db2.gz OHYYERZPVVPFNZ-GFCCVEGCSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OC/C=C/c1ccccc1 ZINC001224679155 973854232 /nfs/dbraw/zinc/85/42/32/973854232.db2.gz CBSXXUMTMLCERO-ZHZWZMEUSA-N 1 0 234.363 2.811 20 5 BFBDRO CCC[C@H](OCC[N+](C)(C)C)[C@H](C)CC ZINC001224773126 973935737 /nfs/dbraw/zinc/93/57/37/973935737.db2.gz DYKOSDNEYGGWJE-OLZOCXBDSA-N 1 0 216.389 2.924 20 5 BFBDRO CC[C@@H](C)CC[C@H](C)OCC[N+](C)(C)C ZINC001224775484 973942796 /nfs/dbraw/zinc/94/27/96/973942796.db2.gz LQEPLRRAIBGJOK-OLZOCXBDSA-N 1 0 216.389 2.924 20 5 BFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001225222777 974258326 /nfs/dbraw/zinc/25/83/26/974258326.db2.gz KKAYMTAANOFGRV-CYBMUJFWSA-N 1 0 222.352 2.777 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cccnc21 ZINC001225293251 974366357 /nfs/dbraw/zinc/36/63/57/974366357.db2.gz RHRSASXVVGZGIQ-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO Cc1cnc(Cl)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226361811 974868203 /nfs/dbraw/zinc/86/82/03/974868203.db2.gz XVWJFIWKIRVGAO-SNVBAGLBSA-N 1 0 243.758 2.517 20 5 BFBDRO CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896260 974962196 /nfs/dbraw/zinc/96/21/96/974962196.db2.gz CDHXNSBMBSQUNN-CYBMUJFWSA-N 1 0 248.326 2.842 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC1)CC2 ZINC001172898654 974962678 /nfs/dbraw/zinc/96/26/78/974962678.db2.gz MUOMLPXQWYRQPU-LBPRGKRZSA-N 1 0 246.310 2.594 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C1 ZINC001173221534 975075115 /nfs/dbraw/zinc/07/51/15/975075115.db2.gz JQKFEAUCHGBABE-RYUDHWBXSA-N 1 0 248.326 2.868 20 5 BFBDRO Cc1c[nH]c2ccc(O[C@H](C)C[N+](C)(C)C)cc12 ZINC001228012822 975851957 /nfs/dbraw/zinc/85/19/57/975851957.db2.gz GFLZJHKTQYNRRE-GFCCVEGCSA-N 1 0 247.362 2.950 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2[nH]ccc21 ZINC001228179937 975978027 /nfs/dbraw/zinc/97/80/27/975978027.db2.gz LSJDDLWFRPPGCA-NSHDSACASA-N 1 0 233.335 2.641 20 5 BFBDRO Cc1cc2cc(O[C@H](C)C[N+](C)(C)C)ccc2[nH]1 ZINC001228451653 976222203 /nfs/dbraw/zinc/22/22/03/976222203.db2.gz YDVJIVRBESPQMK-GFCCVEGCSA-N 1 0 247.362 2.950 20 5 BFBDRO Cc1nc(Cl)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001228705248 976449353 /nfs/dbraw/zinc/44/93/53/976449353.db2.gz UFFCGMQGKMFLAC-VIFPVBQESA-N 1 0 243.758 2.517 20 5 BFBDRO Cc1cc(F)c(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001230444583 977208981 /nfs/dbraw/zinc/20/89/81/977208981.db2.gz UAXAEKBYQWJWSI-SNVBAGLBSA-N 1 0 244.305 2.747 20 5 BFBDRO Cc1cc(F)c(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230444582 977211266 /nfs/dbraw/zinc/21/12/66/977211266.db2.gz UAXAEKBYQWJWSI-JTQLQIEISA-N 1 0 244.305 2.747 20 5 BFBDRO Cc1cccc2nc(O[C@@H](C)C[N+](C)(C)C)oc21 ZINC001231160676 977516682 /nfs/dbraw/zinc/51/66/82/977516682.db2.gz ATMPQXXCTPEGQR-NSHDSACASA-N 1 0 249.334 2.610 20 5 BFBDRO CCC(CC)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565732 986674564 /nfs/dbraw/zinc/67/45/64/986674564.db2.gz GIGXYESAPCMKOE-CYBMUJFWSA-N 1 0 248.326 2.840 20 5 BFBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]cc2)c(Cl)c1 ZINC001248590391 989121533 /nfs/dbraw/zinc/12/15/33/989121533.db2.gz KQBJZBITRLXCBM-UHFFFAOYSA-N 1 0 249.657 2.809 20 5 BFBDRO C[C@@H]1C[C@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326304724 989475043 /nfs/dbraw/zinc/47/50/43/989475043.db2.gz GHWRQMZQDQUTGN-KOLCDFICSA-N 1 0 232.283 2.566 20 5 BFBDRO C[C@H]([NH2+]C1(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332230966 992580652 /nfs/dbraw/zinc/58/06/52/992580652.db2.gz HFTCJAPHQGCBIN-QMMMGPOBSA-N 1 0 238.262 2.937 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C=CCCC2)c1 ZINC000151160113 398208998 /nfs/dbraw/zinc/20/89/98/398208998.db2.gz AGUPZDZDYOEAMF-GFCCVEGCSA-N 1 0 232.283 2.793 20 5 BFBDRO Cc1cc(NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000162753329 178173076 /nfs/dbraw/zinc/17/30/76/178173076.db2.gz YDYQKKJJJJGEJS-UHFFFAOYSA-N 1 0 243.266 2.910 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCC1 ZINC000183353845 178270737 /nfs/dbraw/zinc/27/07/37/178270737.db2.gz FNXZZQJIQGHWBM-UHFFFAOYSA-N 1 0 234.299 2.888 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCF ZINC000361089130 178271622 /nfs/dbraw/zinc/27/16/22/178271622.db2.gz VGBRYZPDQILJQP-UHFFFAOYSA-N 1 0 240.278 2.743 20 5 BFBDRO C[C@H](C1CC1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000073778924 343994783 /nfs/dbraw/zinc/99/47/83/343994783.db2.gz GDLFWJMOGYQSIP-SNVBAGLBSA-N 1 0 234.299 2.825 20 5 BFBDRO CC(C)[C@H]1CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000602503071 349560639 /nfs/dbraw/zinc/56/06/39/349560639.db2.gz CEQHOYPEWAORSS-CQSZACIVSA-N 1 0 248.326 2.868 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000378893865 346855790 /nfs/dbraw/zinc/85/57/90/346855790.db2.gz SSFQHDGMYRXSGO-XBFCOCLRSA-N 1 0 246.310 2.873 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000339586950 398332740 /nfs/dbraw/zinc/33/27/40/398332740.db2.gz OALUYCIJRLHORD-NWDGAFQWSA-N 1 0 238.262 2.575 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(C2CCC2)C1 ZINC000348714432 136294376 /nfs/dbraw/zinc/29/43/76/136294376.db2.gz YTDMSOPIHJVYBW-UHFFFAOYSA-N 1 0 246.310 2.827 20 5 BFBDRO CC1(C)CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000284292712 343923452 /nfs/dbraw/zinc/92/34/52/343923452.db2.gz KIUOSIIHRSPOBU-ZDUSSCGKSA-N 1 0 248.326 2.916 20 5 BFBDRO Cc1cn(Cc2csc([N+](=O)[O-])c2)c(C)n1 ZINC000601080197 344142389 /nfs/dbraw/zinc/14/23/89/344142389.db2.gz NSAMYIVMAFADLS-UHFFFAOYSA-N 1 0 237.284 2.518 20 5 BFBDRO CC(C)(C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000158007604 344242916 /nfs/dbraw/zinc/24/29/16/344242916.db2.gz PRUBAXWAABBPEQ-UHFFFAOYSA-N 1 0 236.315 2.773 20 5 BFBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457649 344408901 /nfs/dbraw/zinc/40/89/01/344408901.db2.gz KJIXIRPILBEPEG-DCAQKATOSA-N 1 0 234.299 2.901 20 5 BFBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076110466 344794411 /nfs/dbraw/zinc/79/44/11/344794411.db2.gz GPSIBENPKSYLFT-GHMZBOCLSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076111142 344794944 /nfs/dbraw/zinc/79/49/44/344794944.db2.gz QAROAUDZCGHQPE-TXEJJXNPSA-N 1 0 248.326 2.725 20 5 BFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000394339604 344869388 /nfs/dbraw/zinc/86/93/88/344869388.db2.gz WTDIMQTURTVKMH-UHFFFAOYSA-N 1 0 240.278 2.964 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1CC1 ZINC000449061729 201800594 /nfs/dbraw/zinc/80/05/94/201800594.db2.gz JQMQTKWFPAHAPH-GHMZBOCLSA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC1 ZINC000449171809 201826144 /nfs/dbraw/zinc/82/61/44/201826144.db2.gz ASKXCVNQMHBPRD-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1=CCCC1 ZINC000401157678 346331356 /nfs/dbraw/zinc/33/13/56/346331356.db2.gz NENMQAHOMPTFQO-UHFFFAOYSA-N 1 0 232.283 2.795 20 5 BFBDRO Cc1c(C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000202471197 346605612 /nfs/dbraw/zinc/60/56/12/346605612.db2.gz IQOHEGJFOFTCKP-UHFFFAOYSA-N 1 0 234.299 2.889 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000594953417 348147791 /nfs/dbraw/zinc/14/77/91/348147791.db2.gz SLYUWKYBROEEFD-DGCLKSJQSA-N 1 0 232.283 2.627 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+][C@]23C[C@H]2CCC3)cs1 ZINC000594954018 348148489 /nfs/dbraw/zinc/14/84/89/348148489.db2.gz WBNPLHRCTLJRFE-MWLCHTKSSA-N 1 0 238.312 2.689 20 5 BFBDRO CC(C)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594973340 348162077 /nfs/dbraw/zinc/16/20/77/348162077.db2.gz QXTXKIFHFBCXDX-UHFFFAOYSA-N 1 0 240.278 2.823 20 5 BFBDRO CC1(C)C[C@@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594995936 348167844 /nfs/dbraw/zinc/16/78/44/348167844.db2.gz MDYZBDBYCJQKGG-CYBMUJFWSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597224147 348694800 /nfs/dbraw/zinc/69/48/00/348694800.db2.gz YUHBNWDUQXAWRA-DGCLKSJQSA-N 1 0 246.310 2.745 20 5 BFBDRO CC1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598646866 349010537 /nfs/dbraw/zinc/01/05/37/349010537.db2.gz CVNMYMBDAQHNPT-UHFFFAOYSA-N 1 0 234.299 2.731 20 5 BFBDRO CC1CC(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000598648393 349010955 /nfs/dbraw/zinc/01/09/55/349010955.db2.gz OSNIDDGVWDVGBK-UHFFFAOYSA-N 1 0 234.299 2.731 20 5 BFBDRO Cc1c(C[NH2+]C[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000159182882 349423190 /nfs/dbraw/zinc/42/31/90/349423190.db2.gz UGRRDRQXVFMZBR-BXKDBHETSA-N 1 0 234.299 2.649 20 5 BFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000344099975 351017770 /nfs/dbraw/zinc/01/77/70/351017770.db2.gz ZKENWDMVFJUDRU-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403518127 352610951 /nfs/dbraw/zinc/61/09/51/352610951.db2.gz KBSMZQUKJPFAJO-RWMBFGLXSA-N 1 0 246.310 2.873 20 5 BFBDRO CC1(C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045119478 352565792 /nfs/dbraw/zinc/56/57/92/352565792.db2.gz BOQOTNJFBCXMOS-GFCCVEGCSA-N 1 0 234.299 2.525 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCC1 ZINC000578026247 366190261 /nfs/dbraw/zinc/19/02/61/366190261.db2.gz NJEHTBLDQIGMAK-GFCCVEGCSA-N 1 0 232.283 2.724 20 5 BFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1C ZINC000414103684 191433082 /nfs/dbraw/zinc/43/30/82/191433082.db2.gz NTNQIUABBYFHAQ-SUNKGSAMSA-N 1 0 248.326 2.771 20 5 BFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000420271489 192196612 /nfs/dbraw/zinc/19/66/12/192196612.db2.gz CRZCYYKKRVURJD-MNOVXSKESA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CC=CC1 ZINC000151981121 356667242 /nfs/dbraw/zinc/66/72/42/356667242.db2.gz JZDLCPQUFCHBPL-FNORWQNLSA-N 1 0 244.294 2.916 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC=CCC2)cc1 ZINC000088748519 356802623 /nfs/dbraw/zinc/80/26/23/356802623.db2.gz RRXPIWACKSQOQP-CYBMUJFWSA-N 1 0 246.310 2.836 20 5 BFBDRO CC1CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582311504 357051599 /nfs/dbraw/zinc/05/15/99/357051599.db2.gz OLKXXAYVKLILSC-ZPPKWKGLSA-N 1 0 246.310 2.970 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccsc1 ZINC000048068842 358613514 /nfs/dbraw/zinc/61/35/14/358613514.db2.gz RIHDHYWYZKFLLL-UHFFFAOYSA-N 1 0 248.307 2.946 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000385896138 360440031 /nfs/dbraw/zinc/44/00/31/360440031.db2.gz DYTBPROFGHRSOZ-NQBHXWOUSA-N 1 0 248.326 2.771 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC1(C)C ZINC000349931446 370709920 /nfs/dbraw/zinc/70/99/20/370709920.db2.gz HRVWNKLFLOKRTF-LBPRGKRZSA-N 1 0 234.299 2.791 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC1 ZINC000072578677 364192012 /nfs/dbraw/zinc/19/20/12/364192012.db2.gz FNYSFOLZUWSKCI-JTQLQIEISA-N 1 0 234.299 2.998 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCF ZINC000575136922 365218125 /nfs/dbraw/zinc/21/81/25/365218125.db2.gz NYOROWUFOSEUHN-NSHDSACASA-N 1 0 238.262 2.531 20 5 BFBDRO C[C@H]1C[C@@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853496 365386076 /nfs/dbraw/zinc/38/60/76/365386076.db2.gz NMCFIBROVCFNDS-CMPLNLGQSA-N 1 0 246.310 2.609 20 5 BFBDRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677207 367706639 /nfs/dbraw/zinc/70/66/39/367706639.db2.gz UCGYAFYINULUGW-WQAKAFBOSA-N 1 0 246.310 2.970 20 5 BFBDRO [NH3+]C[C@H](Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000236233643 181449473 /nfs/dbraw/zinc/44/94/73/181449473.db2.gz NFTWPQLWZHIBOR-LBPRGKRZSA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000602704049 371832515 /nfs/dbraw/zinc/83/25/15/371832515.db2.gz BDYLTJWFVWBPJL-JSGCOSHPSA-N 1 0 246.310 2.670 20 5 BFBDRO CC(C)C1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602645774 371826824 /nfs/dbraw/zinc/82/68/24/371826824.db2.gz ZTUWTSGMVHOUNN-UHFFFAOYSA-N 1 0 248.326 2.725 20 5 BFBDRO CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131642148 169286790 /nfs/dbraw/zinc/28/67/90/169286790.db2.gz XEWPDULWQVNVHQ-SNVBAGLBSA-N 1 0 222.288 2.964 20 5 BFBDRO CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000038132283 169274658 /nfs/dbraw/zinc/27/46/58/169274658.db2.gz QZGOPMNZLHZSBT-JTQLQIEISA-N 1 0 222.288 2.525 20 5 BFBDRO CCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020040551 169370663 /nfs/dbraw/zinc/37/06/63/169370663.db2.gz BIEOYCYOBKATIF-SNVBAGLBSA-N 1 0 222.288 2.873 20 5 BFBDRO CCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020040557 169371018 /nfs/dbraw/zinc/37/10/18/169371018.db2.gz OVNOYNOJZPDXIO-SNVBAGLBSA-N 1 0 222.288 2.873 20 5 BFBDRO CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000060575140 384188253 /nfs/dbraw/zinc/18/82/53/384188253.db2.gz ICIUFYOZKZPQAE-SNVBAGLBSA-N 1 0 222.288 2.825 20 5 BFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000310553170 384192900 /nfs/dbraw/zinc/19/29/00/384192900.db2.gz XEDUXECRLFODIN-JFGNBEQYSA-N 1 0 234.299 2.729 20 5 BFBDRO Cc1ccc([C@@H](C)[NH2+]CCCF)cc1[N+](=O)[O-] ZINC000126952753 384225596 /nfs/dbraw/zinc/22/55/96/384225596.db2.gz DRIKWICEDKUFFI-SNVBAGLBSA-N 1 0 240.278 2.913 20 5 BFBDRO CC(C)=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336708273 384254934 /nfs/dbraw/zinc/25/49/34/384254934.db2.gz MDXJBZKIMYFHAO-UHFFFAOYSA-N 1 0 238.262 2.790 20 5 BFBDRO CCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472323 384502383 /nfs/dbraw/zinc/50/23/83/384502383.db2.gz JZZOMBLRGFBNQQ-UHFFFAOYSA-N 1 0 214.290 2.546 20 5 BFBDRO Cc1ccc(C[NH2+]C2(C)CCC2)cc1[N+](=O)[O-] ZINC000159927291 384544227 /nfs/dbraw/zinc/54/42/27/384544227.db2.gz KIARTYPLVKYNTN-UHFFFAOYSA-N 1 0 234.299 2.935 20 5 BFBDRO CC(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000309285894 384683796 /nfs/dbraw/zinc/68/37/96/384683796.db2.gz HXBYXKHDORXXLC-UHFFFAOYSA-N 1 0 226.251 2.574 20 5 BFBDRO C[C@@H]([NH2+]C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000044481772 384746782 /nfs/dbraw/zinc/74/67/82/384746782.db2.gz FVHXRWKBESLERG-SECBINFHSA-N 1 0 220.272 2.798 20 5 BFBDRO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000294856498 385266872 /nfs/dbraw/zinc/26/68/72/385266872.db2.gz SNWSYAXBGIRNIQ-UHFFFAOYSA-N 1 0 220.272 2.627 20 5 BFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111296963 385502851 /nfs/dbraw/zinc/50/28/51/385502851.db2.gz VPAYZOIJVICJBV-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO CC[C@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000292474226 385702127 /nfs/dbraw/zinc/70/21/27/385702127.db2.gz ROUNRKWAULRYKH-LBPRGKRZSA-N 1 0 234.299 2.888 20 5 BFBDRO CC(C)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000293177434 385739696 /nfs/dbraw/zinc/73/96/96/385739696.db2.gz WOTXKCIXLSGEBG-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000045770877 387993469 /nfs/dbraw/zinc/99/34/69/387993469.db2.gz ZXOBWYBRZARYLN-UHFFFAOYSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000089512546 388008164 /nfs/dbraw/zinc/00/81/64/388008164.db2.gz WVESDSBZSUHLAV-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000037081093 388099022 /nfs/dbraw/zinc/09/90/22/388099022.db2.gz YCMGHVRXCZBFFM-UHFFFAOYSA-N 1 0 240.690 2.842 20 5 BFBDRO Cc1c(C[N@@H+](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000173920685 388432351 /nfs/dbraw/zinc/43/23/51/388432351.db2.gz DFJZFLLQOPIXOW-UHFFFAOYSA-N 1 0 234.299 2.888 20 5 BFBDRO CCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000297370348 388506834 /nfs/dbraw/zinc/50/68/34/388506834.db2.gz INAQBHQEIUXCGK-UHFFFAOYSA-N 1 0 234.299 2.827 20 5 BFBDRO Cc1ccc(C[N@H+](C)CC2CC2)cc1[N+](=O)[O-] ZINC000122904431 388588965 /nfs/dbraw/zinc/58/89/65/388588965.db2.gz OYDSYXXBNIRVFU-UHFFFAOYSA-N 1 0 234.299 2.745 20 5 BFBDRO C[C@H](C1CC1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000077325602 388675058 /nfs/dbraw/zinc/67/50/58/388675058.db2.gz RNEDKAWBHIVGKP-MRVPVSSYSA-N 1 0 240.328 2.887 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC12CC2 ZINC000418092848 388675426 /nfs/dbraw/zinc/67/54/26/388675426.db2.gz ILPPCDVXTRVJQE-GFCCVEGCSA-N 1 0 246.310 2.793 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CC1 ZINC000449061730 388746472 /nfs/dbraw/zinc/74/64/72/388746472.db2.gz JQMQTKWFPAHAPH-MNOVXSKESA-N 1 0 248.326 2.914 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]1C ZINC000449130043 388747121 /nfs/dbraw/zinc/74/71/21/388747121.db2.gz FPJNOIXKHSBQJF-FOGDFJRCSA-N 1 0 234.299 2.524 20 5 BFBDRO CC(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020047108 388752828 /nfs/dbraw/zinc/75/28/28/388752828.db2.gz VREZMTNYRKEYSC-UHFFFAOYSA-N 1 0 222.288 2.731 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC12CC2 ZINC000424181556 388694861 /nfs/dbraw/zinc/69/48/61/388694861.db2.gz CGCDOYMRIKKTDC-LQPUYASZSA-N 1 0 244.294 2.750 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000527238702 388697177 /nfs/dbraw/zinc/69/71/77/388697177.db2.gz QBQDUENFBVTBCF-GHMZBOCLSA-N 1 0 234.299 2.886 20 5 BFBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267032731 135363840 /nfs/dbraw/zinc/36/38/40/135363840.db2.gz NAFYGNMBHGWSCS-UHFFFAOYSA-N 1 0 226.251 2.576 20 5 BFBDRO C[C@@H]([NH2+]CCCF)c1cccc([N+](=O)[O-])c1 ZINC000126953498 397942488 /nfs/dbraw/zinc/94/24/88/397942488.db2.gz FEJWDMMHLYKHII-SECBINFHSA-N 1 0 226.251 2.605 20 5 BFBDRO CC(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443010 167008583 /nfs/dbraw/zinc/00/85/83/167008583.db2.gz RNDIKGMAOYCJNY-UHFFFAOYSA-N 1 0 242.706 2.994 20 5 BFBDRO CC(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963056 167009728 /nfs/dbraw/zinc/00/97/28/167009728.db2.gz PJUKOCDTRNYZGL-UHFFFAOYSA-N 1 0 242.706 2.994 20 5 BFBDRO CC(C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677721 167381679 /nfs/dbraw/zinc/38/16/79/167381679.db2.gz ZYSYMEGYSZUPNN-LLVKDONJSA-N 1 0 236.315 2.771 20 5 BFBDRO CC1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000280730284 168020942 /nfs/dbraw/zinc/02/09/42/168020942.db2.gz YVKVKNRWNGSHIS-UHFFFAOYSA-N 1 0 240.328 2.936 20 5 BFBDRO CC1=CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339660957 168113497 /nfs/dbraw/zinc/11/34/97/168113497.db2.gz RJTMSSQZEWQFMO-UHFFFAOYSA-N 1 0 246.310 2.789 20 5 BFBDRO CC1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000128869836 168146541 /nfs/dbraw/zinc/14/65/41/168146541.db2.gz TUAUIBKSDFETBK-UHFFFAOYSA-N 1 0 226.301 2.544 20 5 BFBDRO CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166465514 170160410 /nfs/dbraw/zinc/16/04/10/170160410.db2.gz OLAVTIHEVQQYNL-SECBINFHSA-N 1 0 208.261 2.574 20 5 BFBDRO C[C@@H]([NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020086304 175870083 /nfs/dbraw/zinc/87/00/83/175870083.db2.gz NVULYYMTDNOZSS-SECBINFHSA-N 1 0 220.272 2.655 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H]1C ZINC000292977666 176026762 /nfs/dbraw/zinc/02/67/62/176026762.db2.gz KVLLHPDUEMVHOY-MXWKQRLJSA-N 1 0 234.299 2.996 20 5 BFBDRO C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000174410881 176109509 /nfs/dbraw/zinc/10/95/09/176109509.db2.gz NPBZOQQPZMWRHD-SNVBAGLBSA-N 1 0 220.272 2.579 20 5 BFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000071207450 176150243 /nfs/dbraw/zinc/15/02/43/176150243.db2.gz QXZZFLQJVXRONL-BXUZGUMPSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123061159 177199783 /nfs/dbraw/zinc/19/97/83/177199783.db2.gz GPNXUPSVVXIUEY-QWRGUYRKSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000080460293 177205427 /nfs/dbraw/zinc/20/54/27/177205427.db2.gz XARYTWIRXXTDDW-JQWIXIFHSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000230674335 323399316 /nfs/dbraw/zinc/39/93/16/323399316.db2.gz AGOGAYHFXZYPTK-UHFFFAOYSA-N 1 0 234.299 2.873 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(C3CC3)CC2)cc1 ZINC000541593225 324967290 /nfs/dbraw/zinc/96/72/90/324967290.db2.gz XLXHBTPIXRVGCK-UHFFFAOYSA-N 1 0 246.310 2.670 20 5 BFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)C1 ZINC000549808562 325516470 /nfs/dbraw/zinc/51/64/70/325516470.db2.gz REGYLPAYQZEHKP-IZZDOVSWSA-N 1 0 246.310 2.950 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000565217682 325877714 /nfs/dbraw/zinc/87/77/14/325877714.db2.gz IPZUHLFFDRRHLG-TVQRCGJNSA-N 1 0 246.310 2.970 20 5 BFBDRO CC[C@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000348371153 536100056 /nfs/dbraw/zinc/10/00/56/536100056.db2.gz FFWLFGINEUMBMF-GXTWGEPZSA-N 1 0 248.326 2.916 20 5 BFBDRO CC(C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466182 583988464 /nfs/dbraw/zinc/98/84/64/583988464.db2.gz PNXGPVGUNMZBMZ-SNVBAGLBSA-N 1 0 222.288 2.696 20 5 BFBDRO Cc1ccc(C[N@@H+](CC[N+](=O)[O-])C(C)C)s1 ZINC000791051942 585972819 /nfs/dbraw/zinc/97/28/19/585972819.db2.gz IORGDXXSHAJYID-UHFFFAOYSA-N 1 0 242.344 2.544 20 5 BFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C=CCC1 ZINC000850506507 588553371 /nfs/dbraw/zinc/55/33/71/588553371.db2.gz FGWRVNHIIRXVKN-GWCFXTLKSA-N 1 0 244.294 2.890 20 5 BFBDRO C[C@@H]([NH2+]CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020221 589856772 /nfs/dbraw/zinc/85/67/72/589856772.db2.gz FSSUNBKWSAMALJ-MRVPVSSYSA-N 1 0 238.262 2.795 20 5 BFBDRO Cc1c(C[NH2+]Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000126063848 590222249 /nfs/dbraw/zinc/22/22/49/590222249.db2.gz WFNVXGOOOKJINO-UHFFFAOYSA-N 1 0 246.266 2.786 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC=CCC1 ZINC000877168661 590295940 /nfs/dbraw/zinc/29/59/40/590295940.db2.gz ZDNREXXQMBKWOG-UHFFFAOYSA-N 1 0 246.310 2.974 20 5 BFBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000885955766 592115065 /nfs/dbraw/zinc/11/50/65/592115065.db2.gz AEYNLVWVCKMQBP-UHFFFAOYSA-N 1 0 249.314 2.754 20 5 BFBDRO CCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885960007 592116055 /nfs/dbraw/zinc/11/60/55/592116055.db2.gz GGJIQASUZJKVMK-UHFFFAOYSA-N 1 0 249.314 2.612 20 5 BFBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886029740 592136082 /nfs/dbraw/zinc/13/60/82/592136082.db2.gz AJQYFIWPTJJBEB-SNVBAGLBSA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886102602 592155340 /nfs/dbraw/zinc/15/53/40/592155340.db2.gz LDDVEGJRFWFSRS-PWSUYJOCSA-N 1 0 249.314 2.753 20 5 BFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886143305 592162408 /nfs/dbraw/zinc/16/24/08/592162408.db2.gz ZDHBUNQPVFCLFP-ZYHUDNBSSA-N 1 0 249.314 2.610 20 5 BFBDRO C[C@@H]1CCCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142709 592162742 /nfs/dbraw/zinc/16/27/42/592162742.db2.gz JBIOHFHEVZJNJX-LLVKDONJSA-N 1 0 249.314 2.612 20 5 BFBDRO C[C@H]1CCCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142710 592162987 /nfs/dbraw/zinc/16/29/87/592162987.db2.gz JBIOHFHEVZJNJX-NSHDSACASA-N 1 0 249.314 2.612 20 5 BFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1(C)CCCC1 ZINC000886177052 592170200 /nfs/dbraw/zinc/17/02/00/592170200.db2.gz SXJORACBPQZEQL-UHFFFAOYSA-N 1 0 249.314 2.754 20 5 BFBDRO Cc1c(C[N@H+](C)CCCF)cccc1[N+](=O)[O-] ZINC000887137722 592453478 /nfs/dbraw/zinc/45/34/78/592453478.db2.gz QZXWXCZBWMOTHT-UHFFFAOYSA-N 1 0 240.278 2.695 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCF ZINC000887139067 592455108 /nfs/dbraw/zinc/45/51/08/592455108.db2.gz YUCCFCRHNDYXQG-SNVBAGLBSA-N 1 0 240.278 2.947 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000905228696 637690479 /nfs/dbraw/zinc/69/04/79/637690479.db2.gz GHNVTJIDHNRURC-ZIAGYGMSSA-N 1 0 248.326 2.579 20 5 BFBDRO CC(C)(C)[N@H+](CC[N+](=O)[O-])Cc1ccsc1 ZINC000930921632 639986426 /nfs/dbraw/zinc/98/64/26/639986426.db2.gz FYGOSKDPXMIHKY-UHFFFAOYSA-N 1 0 242.344 2.625 20 5 BFBDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000932898412 640643489 /nfs/dbraw/zinc/64/34/89/640643489.db2.gz KWIDBPASVRMLTG-CYBMUJFWSA-N 1 0 248.326 2.531 20 5 BFBDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000932898413 640643743 /nfs/dbraw/zinc/64/37/43/640643743.db2.gz KWIDBPASVRMLTG-ZDUSSCGKSA-N 1 0 248.326 2.531 20 5 BFBDRO CCC[C@@](C)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000934180893 641094318 /nfs/dbraw/zinc/09/43/18/641094318.db2.gz XDMOYXHWVADGFK-CYBMUJFWSA-N 1 0 236.315 2.568 20 5 BFBDRO CCCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540465 641650345 /nfs/dbraw/zinc/65/03/45/641650345.db2.gz DUVBCJSSIRFSTK-UHFFFAOYSA-N 1 0 240.278 2.966 20 5 BFBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000194096922 644300305 /nfs/dbraw/zinc/30/03/05/644300305.db2.gz XOULMFUTZCHFTL-UHFFFAOYSA-N 1 0 240.278 2.964 20 5 BFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCF ZINC000304254745 644882128 /nfs/dbraw/zinc/88/21/28/644882128.db2.gz RVBLYCDPYGIHQJ-UHFFFAOYSA-N 1 0 246.669 2.697 20 5 BFBDRO Cc1ccc([C@@H](C)[N@H+](C)CC[N+](=O)[O-])c(C)c1 ZINC000929325537 646080040 /nfs/dbraw/zinc/08/00/40/646080040.db2.gz IXKFPWGOYKFHOT-GFCCVEGCSA-N 1 0 236.315 2.573 20 5 BFBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000929974225 646381104 /nfs/dbraw/zinc/38/11/04/646381104.db2.gz YELCGFNQWPOTQT-CQSZACIVSA-N 1 0 248.326 2.784 20 5 BFBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(F)c1 ZINC001224771659 964935466 /nfs/dbraw/zinc/93/54/66/964935466.db2.gz QFOJDVHVKQEETH-NSHDSACASA-N 1 0 226.315 2.610 20 5 BFBDRO CCCCC[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007083 969328405 /nfs/dbraw/zinc/32/84/05/969328405.db2.gz KUCPPXGLUBTVQB-RYUDHWBXSA-N 1 0 228.336 2.554 20 5 BFBDRO CCC[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550031 969735007 /nfs/dbraw/zinc/73/50/07/969735007.db2.gz BTLNTJIEZNANTF-NSHDSACASA-N 1 0 236.315 2.868 20 5 BFBDRO Cc1cccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001231029579 977434277 /nfs/dbraw/zinc/43/42/77/977434277.db2.gz CLZDKUFYIHEMCA-NSHDSACASA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccccc1F ZINC001224619423 973802437 /nfs/dbraw/zinc/80/24/37/973802437.db2.gz NSBGERDHEGDMHK-GFCCVEGCSA-N 1 0 240.342 3.000 20 5 BFBDRO CC[C@@H](C)[C@H](C)OCCC[N+](C)(C)C ZINC001224622076 973804446 /nfs/dbraw/zinc/80/44/46/973804446.db2.gz FTIZGDHLSOHVOM-NEPJUHHUSA-N 1 0 202.362 2.534 20 5 BFBDRO C[C@@H]1CCCC[C@@H]1OCCC[N+](C)(C)C ZINC001224623346 973805160 /nfs/dbraw/zinc/80/51/60/973805160.db2.gz MVJXXDMAYFBVOA-OLZOCXBDSA-N 1 0 214.373 2.678 20 5 BFBDRO C[N+](C)(C)CCCO[C@H]1CCC=CCCC1 ZINC001224623326 973805907 /nfs/dbraw/zinc/80/59/07/973805907.db2.gz MKHHRVKLBUAQMW-AWEZNQCLSA-N 1 0 226.384 2.988 20 5 BFBDRO C[C@H](OCC[N+](C)(C)C)c1c(F)cccc1F ZINC001224772232 973936890 /nfs/dbraw/zinc/93/68/90/973936890.db2.gz XIKDCOGDYVNGDN-JTQLQIEISA-N 1 0 244.305 2.749 20 5 BFBDRO C[C@H](OCC[N+](C)(C)C)c1ccc(F)cc1 ZINC001224771123 973939303 /nfs/dbraw/zinc/93/93/03/973939303.db2.gz GOMACICVWGDUJV-NSHDSACASA-N 1 0 226.315 2.610 20 5 BFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC=[NH2+] ZINC001167865909 961345742 /nfs/dbraw/zinc/34/57/42/961345742.db2.gz XMNANHPZJPCUOG-UHFFFAOYSA-N 1 0 207.233 2.539 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1Cl ZINC001225208816 961869171 /nfs/dbraw/zinc/86/91/71/961869171.db2.gz KKCUGFZXMIZDGW-JTQLQIEISA-N 1 0 228.743 2.814 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ncccc21 ZINC001226658969 963274623 /nfs/dbraw/zinc/27/46/23/963274623.db2.gz LULXBRQPPMXKHZ-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC001168184062 963937709 /nfs/dbraw/zinc/93/77/09/963937709.db2.gz KHPBESUKUHVZMD-CYBMUJFWSA-N 1 0 240.347 2.698 20 5 BFBDRO C[C@@H]1CC[C@H](C)[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224621963 964810631 /nfs/dbraw/zinc/81/06/31/964810631.db2.gz DHWGXAYOKGKEGH-RDBSUJKOSA-N 1 0 228.400 2.924 20 5 BFBDRO CCCC(=O)[C@H](CCC)OCCC[N+](C)(C)C ZINC001224621792 964811859 /nfs/dbraw/zinc/81/18/59/964811859.db2.gz DEFJQLBJTOCUTI-AWEZNQCLSA-N 1 0 244.399 2.637 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)OCCC(C)(C)C ZINC001224726102 964911724 /nfs/dbraw/zinc/91/17/24/964911724.db2.gz ZNVRFEDHOCBQEH-NSHDSACASA-N 1 0 202.362 2.534 20 5 BFBDRO CCCC/C=C/[C@H](C)OCC[N+](C)(C)C ZINC001224772534 964935577 /nfs/dbraw/zinc/93/55/77/964935577.db2.gz AENVUCGSEIKCDT-LXKVQUBZSA-N 1 0 214.373 2.844 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000698324486 968225690 /nfs/dbraw/zinc/22/56/90/968225690.db2.gz ANKBFPJKWNZJDP-ZYHUDNBSSA-N 1 0 232.283 2.964 20 5 BFBDRO Cc1ccc(CCO[C@H](C)C[N+](C)(C)C)cc1 ZINC001206416134 968290249 /nfs/dbraw/zinc/29/02/49/968290249.db2.gz IKKMSLQLLJSDPT-CQSZACIVSA-N 1 0 236.379 2.649 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC001168955781 969303433 /nfs/dbraw/zinc/30/34/33/969303433.db2.gz CGOSXZBCGZZBRM-DGCLKSJQSA-N 1 0 240.347 2.744 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC001168955782 969304034 /nfs/dbraw/zinc/30/40/34/969304034.db2.gz CGOSXZBCGZZBRM-WCQYABFASA-N 1 0 240.347 2.744 20 5 BFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001168958512 969309212 /nfs/dbraw/zinc/30/92/12/969309212.db2.gz NRFFSFKXHRMGHF-QWHCGFSZSA-N 1 0 240.347 2.602 20 5 BFBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968480 969320921 /nfs/dbraw/zinc/32/09/21/969320921.db2.gz ZJACCSWLSVBXEO-YRGRVCCFSA-N 1 0 248.326 2.783 20 5 BFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007168 969331873 /nfs/dbraw/zinc/33/18/73/969331873.db2.gz LSAZQSGURHDNPA-YVECIDJPSA-N 1 0 240.347 2.695 20 5 BFBDRO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012275 969340126 /nfs/dbraw/zinc/34/01/26/969340126.db2.gz OXHFRXHXBZJJON-AGIUHOORSA-N 1 0 240.347 2.554 20 5 BFBDRO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990199 969344714 /nfs/dbraw/zinc/34/47/14/969344714.db2.gz YFELKKKOZVLYOS-UMSGYPCISA-N 1 0 240.347 2.600 20 5 BFBDRO CC1(C)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169027848 969346599 /nfs/dbraw/zinc/34/65/99/969346599.db2.gz RBRGDORMKOYNMJ-NWDGAFQWSA-N 1 0 240.347 2.554 20 5 BFBDRO CC(C)[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550591 969736839 /nfs/dbraw/zinc/73/68/39/969736839.db2.gz MQWQPKFCDHWJDW-NSHDSACASA-N 1 0 236.315 2.866 20 5 BFBDRO CC(C)(C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568396 969741820 /nfs/dbraw/zinc/74/18/20/969741820.db2.gz UFSSYYZFXMXCSS-LBPRGKRZSA-N 1 0 248.326 2.698 20 5 BFBDRO CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254571858 969742103 /nfs/dbraw/zinc/74/21/03/969742103.db2.gz CHWRKPQLNCHYTQ-GFCCVEGCSA-N 1 0 246.310 2.594 20 5 BFBDRO Cc1ccc(CO[C@@H](C)C[N+](C)(C)C)s1 ZINC001223190880 972871641 /nfs/dbraw/zinc/87/16/41/972871641.db2.gz YPFDDJAMRCEDQR-JTQLQIEISA-N 1 0 228.381 2.668 20 5 BFBDRO C[N+](C)(C)CCCO[C@@H]1CCCc2cccnc21 ZINC001224618872 973801804 /nfs/dbraw/zinc/80/18/04/973801804.db2.gz JQIWGNZMPYMOPK-CQSZACIVSA-N 1 0 249.378 2.572 20 5 BFBDRO C[C@H]1CCC[C@H](C)C1OCC[N+](C)(C)C ZINC001224772720 973935372 /nfs/dbraw/zinc/93/53/72/973935372.db2.gz BWWARWFODBOSLJ-RYUDHWBXSA-N 1 0 214.373 2.534 20 5 BFBDRO Cc1cccc(CCO[C@H](C)C[N+](C)(C)C)c1 ZINC001224873452 974044389 /nfs/dbraw/zinc/04/43/89/974044389.db2.gz ZNIUKRXVRFJCQL-CQSZACIVSA-N 1 0 236.379 2.649 20 5 BFBDRO CCOc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001225212425 974236246 /nfs/dbraw/zinc/23/62/46/974236246.db2.gz IWQKRPZSWZMZER-GFCCVEGCSA-N 1 0 238.351 2.559 20 5 BFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001225245564 974304799 /nfs/dbraw/zinc/30/47/99/974304799.db2.gz MDNCPQUBRQTPNK-CYBMUJFWSA-N 1 0 222.352 2.777 20 5 BFBDRO CCOc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001225255780 974313594 /nfs/dbraw/zinc/31/35/94/974313594.db2.gz LTOMTFGIJRGKEC-GFCCVEGCSA-N 1 0 238.351 2.559 20 5 BFBDRO Cc1cc(F)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225346712 974425657 /nfs/dbraw/zinc/42/56/57/974425657.db2.gz WROUOJUARIWTOL-LLVKDONJSA-N 1 0 226.315 2.608 20 5 BFBDRO Cc1ccc2[nH]ccc2c1O[C@H](C)C[N+](C)(C)C ZINC001225436403 974487560 /nfs/dbraw/zinc/48/75/60/974487560.db2.gz BAZYWBYEUDULQQ-GFCCVEGCSA-N 1 0 247.362 2.950 20 5 BFBDRO Cc1cnc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226361810 974869129 /nfs/dbraw/zinc/86/91/29/974869129.db2.gz XVWJFIWKIRVGAO-JTQLQIEISA-N 1 0 243.758 2.517 20 5 BFBDRO Cc1noc2cc(O[C@@H](C)C[N+](C)(C)C)ccc12 ZINC001226535980 974947527 /nfs/dbraw/zinc/94/75/27/974947527.db2.gz RXLJEFDEONJOCG-JTQLQIEISA-N 1 0 249.334 2.610 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC1)CC2 ZINC001172907507 974963357 /nfs/dbraw/zinc/96/33/57/974963357.db2.gz GBXHEKAUDURHHI-CYBMUJFWSA-N 1 0 246.310 2.548 20 5 BFBDRO CC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909183 974963807 /nfs/dbraw/zinc/96/38/07/974963807.db2.gz PWTNHKOJATULTE-ZDUSSCGKSA-N 1 0 248.326 2.794 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]1C ZINC001173223088 975073161 /nfs/dbraw/zinc/07/31/61/975073161.db2.gz XHUDLXSLFVDWRM-MNOVXSKESA-N 1 0 234.299 2.620 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC1(C)C ZINC001173220188 975073498 /nfs/dbraw/zinc/07/34/98/975073498.db2.gz VPKUSXDTWRBWLU-GXFFZTMASA-N 1 0 248.326 2.914 20 5 BFBDRO CC[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218625 975073785 /nfs/dbraw/zinc/07/37/85/975073785.db2.gz RBWIPLGVVDYPIR-GHMZBOCLSA-N 1 0 236.315 2.914 20 5 BFBDRO CCc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001227680876 975600065 /nfs/dbraw/zinc/60/00/65/975600065.db2.gz GSLXEBISOFRJMT-GFCCVEGCSA-N 1 0 222.352 2.723 20 5 BFBDRO Cc1cc(F)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227847059 975737682 /nfs/dbraw/zinc/73/76/82/975737682.db2.gz CVZPFQUXAQEXDX-LLVKDONJSA-N 1 0 226.315 2.608 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc(Cl)c1 ZINC001227858878 975749106 /nfs/dbraw/zinc/74/91/06/975749106.db2.gz VZGMKSIEKKKQCA-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1Cl ZINC001228230276 976008913 /nfs/dbraw/zinc/00/89/13/976008913.db2.gz PLURIZVLTPKEGQ-SECBINFHSA-O 1 0 244.742 2.519 20 5 BFBDRO CCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001228250651 976016473 /nfs/dbraw/zinc/01/64/73/976016473.db2.gz DXYOWBOTYMHTET-LBPRGKRZSA-N 1 0 222.352 2.723 20 5 BFBDRO Cc1cc2ccc(O[C@H](C)C[N+](C)(C)C)cc2[nH]1 ZINC001229829766 977000114 /nfs/dbraw/zinc/00/01/14/977000114.db2.gz ZNRRAHBIHYAQSQ-GFCCVEGCSA-N 1 0 247.362 2.950 20 5 BFBDRO Cc1noc2cccc(O[C@@H](C)C[N+](C)(C)C)c12 ZINC001233666700 978666999 /nfs/dbraw/zinc/66/69/99/978666999.db2.gz GARZUSPQZMQRGI-JTQLQIEISA-N 1 0 249.334 2.610 20 5 BFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc(Cl)n1 ZINC001234618992 978873839 /nfs/dbraw/zinc/87/38/39/978873839.db2.gz HMMWEVOQVXJHSQ-JTQLQIEISA-N 1 0 243.758 2.517 20 5 BFBDRO Cc1cc(NCCC(C)(C)[NH3+])c([N+](=O)[O-])s1 ZINC001579636226 986156064 /nfs/dbraw/zinc/15/60/64/986156064.db2.gz WVIAJGUPMIDWGA-UHFFFAOYSA-N 1 0 243.332 2.504 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001473670586 987523064 /nfs/dbraw/zinc/52/30/64/987523064.db2.gz LPVAYWXQJFBYGC-ZDUSSCGKSA-N 1 0 240.347 2.555 20 5 BFBDRO CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001116476980 987597706 /nfs/dbraw/zinc/59/77/06/987597706.db2.gz XMOGOWFIZJHBKL-XQRVVYSFSA-N 1 0 232.283 2.750 20 5 BFBDRO CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC001116476979 987598497 /nfs/dbraw/zinc/59/84/97/987598497.db2.gz XMOGOWFIZJHBKL-GQCTYLIASA-N 1 0 232.283 2.750 20 5 BFBDRO CC(C)[C@@H]1C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001474761154 987822777 /nfs/dbraw/zinc/82/27/77/987822777.db2.gz DBPZWIAGSCPPOS-UONOGXRCSA-N 1 0 248.326 2.771 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CC=CC1)C2 ZINC001118496215 988391222 /nfs/dbraw/zinc/39/12/22/988391222.db2.gz RQVVMWWUIVDPBW-UHFFFAOYSA-N 1 0 244.294 2.877 20 5 BFBDRO CC(C)(C)C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1(C)C ZINC001307834414 995479437 /nfs/dbraw/zinc/47/94/37/995479437.db2.gz HEXMXMMMZMNXLQ-NSHDSACASA-N 1 0 242.363 2.800 20 5 BFBDRO CC(C)[C@@H]1CCN1Cc1csc([N+](=O)[O-])c1 ZINC000342859486 398163020 /nfs/dbraw/zinc/16/30/20/398163020.db2.gz GGYCQUKYHYBGNT-JTQLQIEISA-N 1 0 240.328 2.887 20 5 BFBDRO CC[NH+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266667197 398191532 /nfs/dbraw/zinc/19/15/32/398191532.db2.gz NWTQSXOIIVKSIY-JTQLQIEISA-N 1 0 222.288 2.998 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C ZINC000183339246 178271595 /nfs/dbraw/zinc/27/15/95/178271595.db2.gz NWIGMQIFJKEMMG-LLVKDONJSA-N 1 0 234.299 2.888 20 5 BFBDRO CC(C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677722 259312273 /nfs/dbraw/zinc/31/22/73/259312273.db2.gz ZYSYMEGYSZUPNN-NSHDSACASA-N 1 0 236.315 2.771 20 5 BFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000267023342 398270061 /nfs/dbraw/zinc/27/00/61/398270061.db2.gz KVNQXKOPOWWSKQ-UHFFFAOYSA-N 1 0 238.262 2.718 20 5 BFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489415647 398311966 /nfs/dbraw/zinc/31/19/66/398311966.db2.gz STRIBZDYCUPXSJ-GFCCVEGCSA-N 1 0 234.299 2.825 20 5 BFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H]2F)c1 ZINC000339587235 398332816 /nfs/dbraw/zinc/33/28/16/398332816.db2.gz OALUYCIJRLHORD-VXGBXAGGSA-N 1 0 238.262 2.575 20 5 BFBDRO C[C@@H](F)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000351851805 136257748 /nfs/dbraw/zinc/25/77/48/136257748.db2.gz JYBSLSPYWLXYDX-SNVBAGLBSA-N 1 0 240.278 2.775 20 5 BFBDRO CCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000047264363 343388437 /nfs/dbraw/zinc/38/84/37/343388437.db2.gz IEMABRJSZQTHTJ-UHFFFAOYSA-N 1 0 228.317 2.888 20 5 BFBDRO Cc1ccc(C[NH2+]CC2CCC2)cc1[N+](=O)[O-] ZINC000037253604 178604247 /nfs/dbraw/zinc/60/42/47/178604247.db2.gz IFJBKHLFJWDRJB-UHFFFAOYSA-N 1 0 234.299 2.793 20 5 BFBDRO CC[C@@H](C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000093111363 344308847 /nfs/dbraw/zinc/30/88/47/344308847.db2.gz LFJNYPOWJOQETH-LLVKDONJSA-N 1 0 236.315 2.773 20 5 BFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000119715180 344468771 /nfs/dbraw/zinc/46/87/71/344468771.db2.gz USWIYFWCNVBPQY-JTQLQIEISA-N 1 0 234.299 2.873 20 5 BFBDRO CC1(C)C[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338710543 344572660 /nfs/dbraw/zinc/57/26/60/344572660.db2.gz VQAYGYHCBZWDEY-VGVVRCBHSA-N 1 0 246.310 2.996 20 5 BFBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000076110465 344794345 /nfs/dbraw/zinc/79/43/45/344794345.db2.gz GPSIBENPKSYLFT-QWRGUYRKSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000076111004 344795148 /nfs/dbraw/zinc/79/51/48/344795148.db2.gz BMXXMEFYLKSENE-QWRGUYRKSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000076113606 344796983 /nfs/dbraw/zinc/79/69/83/344796983.db2.gz VWIICEFWJDPZIP-QWRGUYRKSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000076113602 344797043 /nfs/dbraw/zinc/79/70/43/344797043.db2.gz VWIICEFWJDPZIP-PHIMTYICSA-N 1 0 234.299 2.683 20 5 BFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000090909905 345572919 /nfs/dbraw/zinc/57/29/19/345572919.db2.gz FJLWYLUTRQYPSK-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000167730254 345723074 /nfs/dbraw/zinc/72/30/74/345723074.db2.gz JDBJVQGOMLZUKI-LBPRGKRZSA-N 1 0 234.299 2.969 20 5 BFBDRO Cc1ccc([C@@H](C)NCC(F)F)cc1[N+](=O)[O-] ZINC000136573028 346244424 /nfs/dbraw/zinc/24/44/24/346244424.db2.gz ZLINZAOXTUGTBB-MRVPVSSYSA-N 1 0 244.241 2.819 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2=CCCC2)cc1 ZINC000401171289 346382589 /nfs/dbraw/zinc/38/25/89/346382589.db2.gz SXIUWQPEPNFWCN-UHFFFAOYSA-N 1 0 246.310 2.837 20 5 BFBDRO CC1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000582098575 347226485 /nfs/dbraw/zinc/22/64/85/347226485.db2.gz USOWEHUGEGENTD-UHFFFAOYSA-N 1 0 246.310 2.753 20 5 BFBDRO CC1(C)C[C@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594997095 348168409 /nfs/dbraw/zinc/16/84/09/348168409.db2.gz SUGJLBRNMDARGC-NSHDSACASA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807570 348349053 /nfs/dbraw/zinc/34/90/53/348349053.db2.gz KNUQEHXJJGUJQM-WXHSDQCUSA-N 1 0 246.310 2.998 20 5 BFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810494 348350014 /nfs/dbraw/zinc/35/00/14/348350014.db2.gz YDYJVGVZCGVTNY-WOPDTQHZSA-N 1 0 246.310 2.998 20 5 BFBDRO CC12CC(C1)C[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000595915120 348399791 /nfs/dbraw/zinc/39/97/91/348399791.db2.gz JODLDAXZRFZUEA-UHFFFAOYSA-N 1 0 232.283 2.579 20 5 BFBDRO CC1CC(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000598647826 349011078 /nfs/dbraw/zinc/01/10/78/349011078.db2.gz KKVBWCWURAUSMX-UHFFFAOYSA-N 1 0 240.328 2.792 20 5 BFBDRO CC1CC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598649522 349011232 /nfs/dbraw/zinc/01/12/32/349011232.db2.gz ZJWFGZDUOWCDLT-UHFFFAOYSA-N 1 0 234.299 2.731 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC=CC2)cc1 ZINC000598993558 349072811 /nfs/dbraw/zinc/07/28/11/349072811.db2.gz WEEPOTJQWMOFKT-UHFFFAOYSA-N 1 0 232.283 2.651 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+](C1CC1)C1CC1 ZINC000599595143 349222966 /nfs/dbraw/zinc/22/29/66/349222966.db2.gz SKCDSAMBCMXNRW-UHFFFAOYSA-N 1 0 232.283 2.722 20 5 BFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccoc2)cc1 ZINC000063047432 350812979 /nfs/dbraw/zinc/81/29/79/350812979.db2.gz HSZWKRYLORBFKN-UHFFFAOYSA-N 1 0 246.266 2.520 20 5 BFBDRO CC1(C)CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344066473 351013256 /nfs/dbraw/zinc/01/32/56/351013256.db2.gz QSPVLBUDNGLTRG-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994248 351376181 /nfs/dbraw/zinc/37/61/81/351376181.db2.gz AZXLTDCKULABTF-SNVBAGLBSA-N 1 0 222.288 2.791 20 5 BFBDRO CC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000344701963 353043319 /nfs/dbraw/zinc/04/33/19/353043319.db2.gz QTNKITIFKUDNLF-XQRVVYSFSA-N 1 0 246.310 2.998 20 5 BFBDRO CC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926152 353133775 /nfs/dbraw/zinc/13/37/75/353133775.db2.gz MRGKNAMHJFBCJR-JTQLQIEISA-N 1 0 222.288 2.731 20 5 BFBDRO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000298301689 188215299 /nfs/dbraw/zinc/21/52/99/188215299.db2.gz KVUCVNVWXBVGNP-UHFFFAOYSA-N 1 0 234.299 2.968 20 5 BFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000610133322 357221394 /nfs/dbraw/zinc/22/13/94/357221394.db2.gz DHMOOQQSPFWUCR-WDEREUQCSA-N 1 0 234.299 2.825 20 5 BFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133321 357221692 /nfs/dbraw/zinc/22/16/92/357221692.db2.gz DHMOOQQSPFWUCR-QWRGUYRKSA-N 1 0 234.299 2.825 20 5 BFBDRO Cc1ccc(C[NH2+][C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000044370984 358548126 /nfs/dbraw/zinc/54/81/26/358548126.db2.gz QNQBCSDOHBZZMO-LBPRGKRZSA-N 1 0 234.299 2.791 20 5 BFBDRO Cc1c(C[NH2+][C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000035733565 358777589 /nfs/dbraw/zinc/77/75/89/358777589.db2.gz LINWIWYUDAAFPP-SNVBAGLBSA-N 1 0 234.299 2.791 20 5 BFBDRO CC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668344 364456988 /nfs/dbraw/zinc/45/69/88/364456988.db2.gz ROYXFUQIFUAYLR-SNVBAGLBSA-N 1 0 222.288 2.731 20 5 BFBDRO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236161550 181421544 /nfs/dbraw/zinc/42/15/44/181421544.db2.gz UCGVYBQYFPZFLF-CYBMUJFWSA-N 1 0 249.314 2.524 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000310892959 370370898 /nfs/dbraw/zinc/37/08/98/370370898.db2.gz YTZKHQPBIADYLV-KWCYVHTRSA-N 1 0 246.310 2.873 20 5 BFBDRO Cc1ccc(C[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000349861912 370586140 /nfs/dbraw/zinc/58/61/40/370586140.db2.gz RRMMHTBLODGFGK-UHFFFAOYSA-N 1 0 236.315 2.991 20 5 BFBDRO C[C@@H]([NH2+]CC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000601288331 371744855 /nfs/dbraw/zinc/74/48/55/371744855.db2.gz UPMVLEHSSNTPMX-SECBINFHSA-N 1 0 240.278 2.994 20 5 BFBDRO CC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506008 371815741 /nfs/dbraw/zinc/81/57/41/371815741.db2.gz ROWCOUISWLASDC-MRVPVSSYSA-N 1 0 249.270 2.624 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000602585630 371822335 /nfs/dbraw/zinc/82/23/35/371822335.db2.gz HQXLHRJAFIMZLZ-CLLJXQQHSA-N 1 0 246.310 2.731 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000076771513 182930669 /nfs/dbraw/zinc/93/06/69/182930669.db2.gz PEZZZZXGAZNKLE-LBPRGKRZSA-N 1 0 232.283 2.793 20 5 BFBDRO C[C@@H]1C[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000573018279 384230354 /nfs/dbraw/zinc/23/03/54/384230354.db2.gz IAJJYKMJLNTHMD-YPMHNXCESA-N 1 0 248.326 2.725 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000337641554 384556530 /nfs/dbraw/zinc/55/65/30/384556530.db2.gz GPNPJPZVHDGGEE-CYZMBNFOSA-N 1 0 246.310 2.873 20 5 BFBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135457289 384614558 /nfs/dbraw/zinc/61/45/58/384614558.db2.gz BXCDGXKQFMFASN-SCVCMEIPSA-N 1 0 234.299 2.901 20 5 BFBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC2)cs1 ZINC000083894012 384921858 /nfs/dbraw/zinc/92/18/58/384921858.db2.gz XWOSRYKTEXXYNF-UHFFFAOYSA-N 1 0 226.301 2.546 20 5 BFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000062726289 385133811 /nfs/dbraw/zinc/13/38/11/385133811.db2.gz QOAUJTOAKHQGEK-JTQLQIEISA-N 1 0 234.299 2.525 20 5 BFBDRO Cc1c([C@H](C)[NH2+]CC2CC2)cccc1[N+](=O)[O-] ZINC000131131275 385310733 /nfs/dbraw/zinc/31/07/33/385310733.db2.gz IXJAVMSXEOVEIE-JTQLQIEISA-N 1 0 234.299 2.964 20 5 BFBDRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000341288044 385481249 /nfs/dbraw/zinc/48/12/49/385481249.db2.gz ZKSFVKQUBBUTMQ-SNVBAGLBSA-N 1 0 245.282 2.774 20 5 BFBDRO CC(C)([NH2+]CCCF)c1ccccc1[N+](=O)[O-] ZINC000292191376 385614265 /nfs/dbraw/zinc/61/42/65/385614265.db2.gz RJQCVFONKKVUKZ-UHFFFAOYSA-N 1 0 240.278 2.779 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000321767158 385621353 /nfs/dbraw/zinc/62/13/53/385621353.db2.gz DSVPNMLUFPWAQB-GIPNMCIBSA-N 1 0 234.299 2.729 20 5 BFBDRO CC[C@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292487520 385702350 /nfs/dbraw/zinc/70/23/50/385702350.db2.gz SQTHHUWGWHAPQV-NSHDSACASA-N 1 0 220.272 2.579 20 5 BFBDRO CCC1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000453598810 385771413 /nfs/dbraw/zinc/77/14/13/385771413.db2.gz BDDABWBSDPPITB-FNORWQNLSA-N 1 0 246.310 2.950 20 5 BFBDRO CC(F)(F)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294298755 386075988 /nfs/dbraw/zinc/07/59/88/386075988.db2.gz UXCJBHNEEFXREI-UHFFFAOYSA-N 1 0 244.241 2.730 20 5 BFBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000129682544 386510596 /nfs/dbraw/zinc/51/05/96/386510596.db2.gz PFDBCRDIIHMMOR-SCVCMEIPSA-N 1 0 234.299 2.901 20 5 BFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000053435534 387019567 /nfs/dbraw/zinc/01/95/67/387019567.db2.gz GWMYHUMAVZYDOV-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000186614738 387023375 /nfs/dbraw/zinc/02/33/75/387023375.db2.gz HETXXWDDRZHGDW-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO CC[C@H](F)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000440593006 387364689 /nfs/dbraw/zinc/36/46/89/387364689.db2.gz BGOVQQSDGKIATC-KOLCDFICSA-N 1 0 240.278 2.994 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CC2)CC1 ZINC000368426588 387369517 /nfs/dbraw/zinc/36/95/17/387369517.db2.gz XETHZMOHWTVZGB-UHFFFAOYSA-N 1 0 246.310 2.971 20 5 BFBDRO C[NH2+]CCS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000520225845 387693713 /nfs/dbraw/zinc/69/37/13/387693713.db2.gz RWYJIJPASAUVIR-VIFPVBQESA-N 1 0 240.328 2.608 20 5 BFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000089512550 388012420 /nfs/dbraw/zinc/01/24/20/388012420.db2.gz WVESDSBZSUHLAV-SNVBAGLBSA-N 1 0 234.299 2.873 20 5 BFBDRO CC(C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046863012 388049822 /nfs/dbraw/zinc/04/98/22/388049822.db2.gz APRJKQUWHZGGFU-UHFFFAOYSA-N 1 0 222.288 2.683 20 5 BFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000122891276 388531065 /nfs/dbraw/zinc/53/10/65/388531065.db2.gz FGXZPIFLKMCLBJ-GQCTYLIASA-N 1 0 246.310 2.950 20 5 BFBDRO CC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060878 388746354 /nfs/dbraw/zinc/74/63/54/388746354.db2.gz FABMGEBIOKPXHM-GHMZBOCLSA-N 1 0 236.315 2.914 20 5 BFBDRO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060879 388747117 /nfs/dbraw/zinc/74/71/17/388747117.db2.gz FABMGEBIOKPXHM-MNOVXSKESA-N 1 0 236.315 2.914 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]1C ZINC000449130045 388747188 /nfs/dbraw/zinc/74/71/88/388747188.db2.gz FPJNOIXKHSBQJF-UMNHJUIQSA-N 1 0 234.299 2.524 20 5 BFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449554733 388751029 /nfs/dbraw/zinc/75/10/29/388751029.db2.gz PQPMIKNXUDGXOY-JSGCOSHPSA-N 1 0 248.326 2.977 20 5 BFBDRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320792 388696201 /nfs/dbraw/zinc/69/62/01/388696201.db2.gz JRAMTSPEVCGHNA-CABZTGNLSA-N 1 0 232.283 2.798 20 5 BFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000371309745 388696717 /nfs/dbraw/zinc/69/67/17/388696717.db2.gz ZOFXJTRERMMIQC-CYBMUJFWSA-N 1 0 246.310 2.827 20 5 BFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000489443306 388726207 /nfs/dbraw/zinc/72/62/07/388726207.db2.gz WEBBTEFUHNEYNR-GFCCVEGCSA-N 1 0 234.299 2.825 20 5 BFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489436610 388726339 /nfs/dbraw/zinc/72/63/39/388726339.db2.gz YDBDKWWRZVTOJP-GFCCVEGCSA-N 1 0 234.299 2.825 20 5 BFBDRO CC[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000125900567 388811971 /nfs/dbraw/zinc/81/19/71/388811971.db2.gz DVAMJVFCSURDGV-LBPRGKRZSA-N 1 0 248.326 2.869 20 5 BFBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125072131 388766682 /nfs/dbraw/zinc/76/66/82/388766682.db2.gz VLAWKMYBONCBQQ-NSHDSACASA-N 1 0 234.299 2.827 20 5 BFBDRO CC[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000125900267 388812872 /nfs/dbraw/zinc/81/28/72/388812872.db2.gz DVAMJVFCSURDGV-GFCCVEGCSA-N 1 0 248.326 2.869 20 5 BFBDRO CCC[C@@H]([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000280953153 388790454 /nfs/dbraw/zinc/79/04/54/388790454.db2.gz HANNWHLFLDPLOR-GFCCVEGCSA-N 1 0 240.278 2.995 20 5 BFBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000284314748 388827704 /nfs/dbraw/zinc/82/77/04/388827704.db2.gz LMDYKPPHYXXXSA-GFCCVEGCSA-N 1 0 234.299 2.873 20 5 BFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C)CC1 ZINC000350100156 133939424 /nfs/dbraw/zinc/93/94/24/133939424.db2.gz NRVFIMFFYLXBRU-UHFFFAOYSA-N 1 0 234.299 2.793 20 5 BFBDRO CCC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342676034 135303835 /nfs/dbraw/zinc/30/38/35/135303835.db2.gz HUQBKFOLJAZZEH-UHFFFAOYSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@]1(F)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000334302088 135347059 /nfs/dbraw/zinc/34/70/59/135347059.db2.gz ZLZGLYWMHRKVGB-GFCCVEGCSA-N 1 0 238.262 2.529 20 5 BFBDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000348059850 136024298 /nfs/dbraw/zinc/02/42/98/136024298.db2.gz BQOXODRICBNQJP-ZYHUDNBSSA-N 1 0 234.299 2.873 20 5 BFBDRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000348123579 136033205 /nfs/dbraw/zinc/03/32/05/136033205.db2.gz VHFHRSUMMKHJCU-JSGCOSHPSA-N 1 0 248.326 2.916 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348086364 136034856 /nfs/dbraw/zinc/03/48/56/136034856.db2.gz YVSIFOOASPYODV-OLZOCXBDSA-N 1 0 246.310 2.873 20 5 BFBDRO CC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472311 171344267 /nfs/dbraw/zinc/34/42/67/171344267.db2.gz PDMNXLSWDBJACY-ZETCQYMHSA-N 1 0 214.290 2.544 20 5 BFBDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000335818302 410059700 /nfs/dbraw/zinc/05/97/00/410059700.db2.gz VIVBYNGIXVECIN-AOOOYVTPSA-N 1 0 220.272 2.578 20 5 BFBDRO CC(C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525915 167013904 /nfs/dbraw/zinc/01/39/04/167013904.db2.gz FXBFEBJRHOWIJM-SNVBAGLBSA-N 1 0 222.288 2.901 20 5 BFBDRO CC1(C)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000170872829 167903902 /nfs/dbraw/zinc/90/39/02/167903902.db2.gz ZYFBRZAZAGIHET-UHFFFAOYSA-N 1 0 234.299 2.969 20 5 BFBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336730687 168043637 /nfs/dbraw/zinc/04/36/37/168043637.db2.gz YGUHSUBNOZXIDM-UHFFFAOYSA-N 1 0 238.262 2.624 20 5 BFBDRO CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000226786552 168044072 /nfs/dbraw/zinc/04/40/72/168044072.db2.gz YKLILPPEXNRJTL-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000160002959 168063631 /nfs/dbraw/zinc/06/36/31/168063631.db2.gz XDOVPSDETBFLLZ-UHFFFAOYSA-N 1 0 220.272 2.627 20 5 BFBDRO CC1=CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000280930975 168100685 /nfs/dbraw/zinc/10/06/85/168100685.db2.gz VEJNMNTZMDUJGJ-UHFFFAOYSA-N 1 0 232.283 2.747 20 5 BFBDRO CC[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337262169 171320151 /nfs/dbraw/zinc/32/01/51/171320151.db2.gz YNOWHCSTVGIXRD-JTQLQIEISA-N 1 0 234.299 2.751 20 5 BFBDRO C[C@@H]1CC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353116229 176237020 /nfs/dbraw/zinc/23/70/20/176237020.db2.gz GCULTINNXFQZRU-CBHWHFHUSA-N 1 0 246.310 2.996 20 5 BFBDRO C[C@@H]1C[NH+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000267641240 176310786 /nfs/dbraw/zinc/31/07/86/176310786.db2.gz IYUSVVXGICJWTL-RKDXNWHRSA-N 1 0 240.328 2.744 20 5 BFBDRO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000267641236 176311088 /nfs/dbraw/zinc/31/10/88/176311088.db2.gz IYUSVVXGICJWTL-DTORHVGOSA-N 1 0 240.328 2.744 20 5 BFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000066405605 177037370 /nfs/dbraw/zinc/03/73/70/177037370.db2.gz ALKKNZARQQAXLB-SNVBAGLBSA-N 1 0 220.272 2.752 20 5 BFBDRO C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267613639 177110849 /nfs/dbraw/zinc/11/08/49/177110849.db2.gz BTOARDUNZIXPJM-VIFPVBQESA-N 1 0 238.262 2.718 20 5 BFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000128542121 177193326 /nfs/dbraw/zinc/19/33/26/177193326.db2.gz XITYWGMSHKKJLL-WCBMZHEXSA-N 1 0 240.328 2.935 20 5 BFBDRO C[C@H]1CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309051158 177207654 /nfs/dbraw/zinc/20/76/54/177207654.db2.gz PVWHUTYMSIMKNL-IONNQARKSA-N 1 0 226.301 2.544 20 5 BFBDRO Cc1c(C[NH2+]CC(C)C)cccc1[N+](=O)[O-] ZINC000035648612 177591595 /nfs/dbraw/zinc/59/15/95/177591595.db2.gz FTGCDDAJNTZXBY-UHFFFAOYSA-N 1 0 222.288 2.649 20 5 BFBDRO Cc1c(C[NH2+][C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000829346384 582856826 /nfs/dbraw/zinc/85/68/26/582856826.db2.gz BAAFQELSJPGGMS-LBPRGKRZSA-N 1 0 232.283 2.711 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(F)CC1 ZINC000880239147 583512603 /nfs/dbraw/zinc/51/26/03/583512603.db2.gz ADZYTWKDZWWNDH-UHFFFAOYSA-N 1 0 238.262 2.529 20 5 BFBDRO C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464688 583988600 /nfs/dbraw/zinc/98/86/00/583988600.db2.gz OKKINZVVPCGUCR-TUAOUCFPSA-N 1 0 248.326 2.944 20 5 BFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897953264 584064106 /nfs/dbraw/zinc/06/41/06/584064106.db2.gz ODYRISSVTHIUET-CYZMBNFOSA-N 1 0 246.310 2.873 20 5 BFBDRO CN(CC[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC000791052730 585972656 /nfs/dbraw/zinc/97/26/56/585972656.db2.gz BBTDNBPIVIHOIK-UHFFFAOYSA-N 1 0 244.294 2.548 20 5 BFBDRO C[C@H](c1cc2ccccc2o1)N(C)CC[N+](=O)[O-] ZINC000791052682 585972823 /nfs/dbraw/zinc/97/28/23/585972823.db2.gz AHHODJSIJZKEJM-SNVBAGLBSA-N 1 0 248.282 2.702 20 5 BFBDRO C[N@H+](CC[N+](=O)[O-])Cc1cccc2ccccc21 ZINC000791054830 585973191 /nfs/dbraw/zinc/97/31/91/585973191.db2.gz YZUIHRLRCUVRJK-UHFFFAOYSA-N 1 0 244.294 2.548 20 5 BFBDRO C[C@H](C1CC1)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000798194229 586139726 /nfs/dbraw/zinc/13/97/26/586139726.db2.gz XSEHPXASGDOMLR-GFCCVEGCSA-N 1 0 248.326 2.564 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C=CCC1 ZINC000850357943 588538934 /nfs/dbraw/zinc/53/89/34/588538934.db2.gz CGZSBYKWFIROKH-VGVVRCBHSA-N 1 0 244.294 2.916 20 5 BFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C=CCC1 ZINC000850357941 588539443 /nfs/dbraw/zinc/53/94/43/588539443.db2.gz CGZSBYKWFIROKH-IYNGYCSASA-N 1 0 244.294 2.916 20 5 BFBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000851732680 588619851 /nfs/dbraw/zinc/61/98/51/588619851.db2.gz AMGDRAAJNIWHBE-UHFFFAOYSA-N 1 0 240.278 2.964 20 5 BFBDRO C[C@H]([NH2+]CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020222 589856560 /nfs/dbraw/zinc/85/65/60/589856560.db2.gz FSSUNBKWSAMALJ-QMMMGPOBSA-N 1 0 238.262 2.795 20 5 BFBDRO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000885933544 592110894 /nfs/dbraw/zinc/11/08/94/592110894.db2.gz XELQQCDLKTXAEI-UHFFFAOYSA-N 1 0 249.314 2.612 20 5 BFBDRO CC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885943829 592111510 /nfs/dbraw/zinc/11/15/10/592111510.db2.gz DITLERMLHUCGJG-LBPRGKRZSA-N 1 0 249.314 2.754 20 5 BFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886004238 592127550 /nfs/dbraw/zinc/12/75/50/592127550.db2.gz VUFWFVRGGQBTBH-GHMZBOCLSA-N 1 0 249.314 2.753 20 5 BFBDRO C[C@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])C1(C)CC1 ZINC000886036640 592138342 /nfs/dbraw/zinc/13/83/42/592138342.db2.gz BGTCBMKXQBXWFV-JTQLQIEISA-N 1 0 249.314 2.610 20 5 BFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886102601 592155299 /nfs/dbraw/zinc/15/52/99/592155299.db2.gz LDDVEGJRFWFSRS-JQWIXIFHSA-N 1 0 249.314 2.753 20 5 BFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCF ZINC000887139066 592455285 /nfs/dbraw/zinc/45/52/85/592455285.db2.gz YUCCFCRHNDYXQG-JTQLQIEISA-N 1 0 240.278 2.947 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000153544699 632033447 /nfs/dbraw/zinc/03/34/47/632033447.db2.gz QWQPUIHQOMQASZ-UHFFFAOYSA-N 1 0 234.299 2.875 20 5 BFBDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930456922 639757711 /nfs/dbraw/zinc/75/77/11/639757711.db2.gz JVEXYZDRYOWRLG-JSGCOSHPSA-N 1 0 248.326 2.736 20 5 BFBDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930456921 639758540 /nfs/dbraw/zinc/75/85/40/639758540.db2.gz JVEXYZDRYOWRLG-GXTWGEPZSA-N 1 0 248.326 2.736 20 5 BFBDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930456924 639759372 /nfs/dbraw/zinc/75/93/72/639759372.db2.gz JVEXYZDRYOWRLG-TZMCWYRMSA-N 1 0 248.326 2.736 20 5 BFBDRO CC(C)[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000930537867 639806469 /nfs/dbraw/zinc/80/64/69/639806469.db2.gz HJWGAXQXKGKMBL-LBPRGKRZSA-N 1 0 236.315 2.735 20 5 BFBDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930763330 639903868 /nfs/dbraw/zinc/90/38/68/639903868.db2.gz NEVCHKUBDREGIS-ZDUSSCGKSA-N 1 0 248.326 2.736 20 5 BFBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1cc(C)ccc1C ZINC000931262247 640123180 /nfs/dbraw/zinc/12/31/80/640123180.db2.gz PGAUJWIKXQHECO-CYBMUJFWSA-N 1 0 236.315 2.621 20 5 BFBDRO CCCCC1([NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000934200642 641100134 /nfs/dbraw/zinc/10/01/34/641100134.db2.gz LGAAGZLEKFWLMH-UHFFFAOYSA-N 1 0 249.314 2.802 20 5 BFBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047923731 641668535 /nfs/dbraw/zinc/66/85/35/641668535.db2.gz NNUWGVNZIBJFEZ-UHFFFAOYSA-N 1 0 238.262 2.718 20 5 BFBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089108351 644534714 /nfs/dbraw/zinc/53/47/14/644534714.db2.gz VYMLIZBUTRWJHU-GXFFZTMASA-N 1 0 249.314 2.524 20 5 BFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000877650190 645806349 /nfs/dbraw/zinc/80/63/49/645806349.db2.gz OMIMQXCAVDEFBM-TXEJJXNPSA-N 1 0 246.310 2.663 20 5 BFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc2ccccc21 ZINC000930183506 645886291 /nfs/dbraw/zinc/88/62/91/645886291.db2.gz PVEGBBLBRZXZPX-LLVKDONJSA-N 1 0 244.294 2.767 20 5 BFBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000929289890 646065234 /nfs/dbraw/zinc/06/52/34/646065234.db2.gz IOFDQEQAVUEUAK-CQSZACIVSA-N 1 0 248.326 2.880 20 5 BFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C=CCC2)cc1 ZINC000711776550 712327790 /nfs/dbraw/zinc/32/77/90/712327790.db2.gz GSAHKOKIHIKLIE-NSHDSACASA-N 1 0 232.283 2.651 20 5 BFBDRO C[C@H](C[N+](C)(C)C)OCCC(C)(C)C ZINC001224726099 964910820 /nfs/dbraw/zinc/91/08/20/964910820.db2.gz ZNVRFEDHOCBQEH-LLVKDONJSA-N 1 0 202.362 2.534 20 5 BFBDRO C[N+](C)(C)CCO[C@@H]1CCc2cc(F)ccc21 ZINC001224775845 964938427 /nfs/dbraw/zinc/93/84/27/964938427.db2.gz PWOUCRBYTJGMCU-CQSZACIVSA-N 1 0 238.326 2.536 20 5 BFBDRO Cc1ccccc1CO[C@H](C)C[N+](C)(C)C ZINC001204661817 967123569 /nfs/dbraw/zinc/12/35/69/967123569.db2.gz ZRNQTYDOHKQFAA-CYBMUJFWSA-N 1 0 222.352 2.606 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)ccc1Cl ZINC001226979606 975197894 /nfs/dbraw/zinc/19/78/94/975197894.db2.gz UKZHSSOKEQUHDG-SECBINFHSA-N 1 0 246.733 2.953 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(Cl)c1 ZINC001225917277 974726951 /nfs/dbraw/zinc/72/69/51/974726951.db2.gz IFSYCEAQQOHURZ-VIFPVBQESA-N 1 0 246.733 2.953 20 5 BFBDRO CSc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226237730 974832427 /nfs/dbraw/zinc/83/24/27/974832427.db2.gz IXTYVIOCERTEJV-LLVKDONJSA-N 1 0 240.392 2.882 20 5 BFBDRO C[C@H]1CCC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224623479 973804204 /nfs/dbraw/zinc/80/42/04/973804204.db2.gz NSBDSUQEEYPUJO-STQMWFEESA-N 1 0 214.373 2.678 20 5 BFBDRO C[C@@H]1CC[C@@H](OCCC[N+](C)(C)C)C[C@@H]1C ZINC001224623315 973804855 /nfs/dbraw/zinc/80/48/55/973804855.db2.gz MCMDROUHFDDBLJ-HZSPNIEDSA-N 1 0 228.400 2.924 20 5 BFBDRO C[C@@H]1CC[C@H](OCCC[N+](C)(C)C)C[C@@H]1C ZINC001224623318 973804903 /nfs/dbraw/zinc/80/49/03/973804903.db2.gz MCMDROUHFDDBLJ-RDBSUJKOSA-N 1 0 228.400 2.924 20 5 BFBDRO CC[C@H](OCCC[N+](C)(C)C)C(C)(C)C ZINC001224623981 973807256 /nfs/dbraw/zinc/80/72/56/973807256.db2.gz RSZUXXCOSQIDGS-LBPRGKRZSA-N 1 0 216.389 2.924 20 5 BFBDRO CCC[C@@H](OCCC[N+](C)(C)C)C(C)C ZINC001224623823 973807960 /nfs/dbraw/zinc/80/79/60/973807960.db2.gz RNRHJVUBPKSZNN-CYBMUJFWSA-N 1 0 216.389 2.924 20 5 BFBDRO C[C@@H](OCC[N+](C)(C)C)c1ccc(F)cc1 ZINC001224771122 973936672 /nfs/dbraw/zinc/93/66/72/973936672.db2.gz GOMACICVWGDUJV-LLVKDONJSA-N 1 0 226.315 2.610 20 5 BFBDRO CCC[C@@H](OCC[N+](C)(C)C)[C@H](C)CC ZINC001224773125 973936771 /nfs/dbraw/zinc/93/67/71/973936771.db2.gz DYKOSDNEYGGWJE-CHWSQXEVSA-N 1 0 216.389 2.924 20 5 BFBDRO Cc1cc2c(cccc2O[C@@H](C)C[N+](C)(C)C)[nH]1 ZINC001225466370 962178487 /nfs/dbraw/zinc/17/84/87/962178487.db2.gz CFGLYEFCPQSTMP-LBPRGKRZSA-N 1 0 247.362 2.950 20 5 BFBDRO Cc1ccc(CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001204687380 963694580 /nfs/dbraw/zinc/69/45/80/963694580.db2.gz OLEDTDBTDIHZKT-CYBMUJFWSA-N 1 0 222.352 2.606 20 5 BFBDRO Cc1[nH+]cn(C)c1Nc1ccc(C)cc1[N+](=O)[O-] ZINC001214169614 964114781 /nfs/dbraw/zinc/11/47/81/964114781.db2.gz VYLUWQOUHFIFHQ-UHFFFAOYSA-N 1 0 246.270 2.689 20 5 BFBDRO CC(C)(C)CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001161641279 964657223 /nfs/dbraw/zinc/65/72/23/964657223.db2.gz FCRBXJXMWNILHE-UHFFFAOYSA-N 1 0 249.314 2.656 20 5 BFBDRO CCCC[C@@H](C)OCCC[N+](C)(C)C ZINC001224622243 964809605 /nfs/dbraw/zinc/80/96/05/964809605.db2.gz GINGNOWQNONOCN-GFCCVEGCSA-N 1 0 202.362 2.678 20 5 BFBDRO C[C@@H]1CCC[C@@H](OCCC[N+](C)(C)C)[C@@H]1C ZINC001224623454 964815147 /nfs/dbraw/zinc/81/51/47/964815147.db2.gz NNJQGJGAFLPMRL-MGPQQGTHSA-N 1 0 228.400 2.924 20 5 BFBDRO CC[C@@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224772012 964935297 /nfs/dbraw/zinc/93/52/97/964935297.db2.gz VQDHDYGOELNWRT-CQSZACIVSA-N 1 0 222.352 2.861 20 5 BFBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168978132 969299286 /nfs/dbraw/zinc/29/92/86/969299286.db2.gz OPBQAFSZJMFVPT-GMXVVIOVSA-N 1 0 240.347 2.600 20 5 BFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001168958510 969310626 /nfs/dbraw/zinc/31/06/26/969310626.db2.gz NRFFSFKXHRMGHF-CHWSQXEVSA-N 1 0 240.347 2.602 20 5 BFBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169007406 969328794 /nfs/dbraw/zinc/32/87/94/969328794.db2.gz NJSMFIJCHNSOMZ-DGCLKSJQSA-N 1 0 240.347 2.696 20 5 BFBDRO CCCC[N@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008041 969334015 /nfs/dbraw/zinc/33/40/15/969334015.db2.gz QXOGNBBUABQOHI-RYUDHWBXSA-N 1 0 228.336 2.554 20 5 BFBDRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986680 969341831 /nfs/dbraw/zinc/34/18/31/969341831.db2.gz YHIAXUCFNUYDQE-UTUOFQBUSA-N 1 0 240.347 2.600 20 5 BFBDRO CCC[N@H+](CC(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042825 969361944 /nfs/dbraw/zinc/36/19/44/969361944.db2.gz GEYIFUGZJICGFW-QWHCGFSZSA-N 1 0 242.363 2.800 20 5 BFBDRO CCCC[N@H+](CCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023256 969366146 /nfs/dbraw/zinc/36/61/46/969366146.db2.gz DVDJTRYHDQWJRK-QWHCGFSZSA-N 1 0 242.363 2.944 20 5 BFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC=CC1 ZINC001254535419 969733938 /nfs/dbraw/zinc/73/39/38/969733938.db2.gz JOZCNIBYDNAWSD-NSHDSACASA-N 1 0 246.310 2.834 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C1 ZINC001254553553 969736808 /nfs/dbraw/zinc/73/68/08/969736808.db2.gz XGYLBXPCRWPKAU-VXGBXAGGSA-N 1 0 248.326 2.868 20 5 BFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001254551005 969737561 /nfs/dbraw/zinc/73/75/61/969737561.db2.gz VFIKOOJZSNJRQU-LLVKDONJSA-N 1 0 234.299 2.622 20 5 BFBDRO CC(C)[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550590 969738299 /nfs/dbraw/zinc/73/82/99/969738299.db2.gz MQWQPKFCDHWJDW-LLVKDONJSA-N 1 0 236.315 2.866 20 5 BFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCCC1)C2 ZINC001254567295 969739457 /nfs/dbraw/zinc/73/94/57/969739457.db2.gz ASALMELHTJNROY-CYBMUJFWSA-N 1 0 246.310 2.594 20 5 BFBDRO CCC[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575386 969740135 /nfs/dbraw/zinc/74/01/35/969740135.db2.gz QIPAURLCCMLNIQ-GXFFZTMASA-N 1 0 248.326 2.840 20 5 BFBDRO CC(C)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568397 969740838 /nfs/dbraw/zinc/74/08/38/969740838.db2.gz UFUOLMXPGQENSZ-CYBMUJFWSA-N 1 0 248.326 2.698 20 5 BFBDRO CC[C@@H](C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566447 969742064 /nfs/dbraw/zinc/74/20/64/969742064.db2.gz KEVSYRISQCWFHE-MFKMUULPSA-N 1 0 248.326 2.698 20 5 BFBDRO CC[N@H+](C1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597945 969742950 /nfs/dbraw/zinc/74/29/50/969742950.db2.gz JRMPCOXMJJWTGD-CQSZACIVSA-N 1 0 246.310 2.546 20 5 BFBDRO C[C@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600853 969743155 /nfs/dbraw/zinc/74/31/55/969743155.db2.gz WANHCVKASVXBAZ-IINYFYTJSA-N 1 0 246.310 2.546 20 5 BFBDRO CC[N@H+](C(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597852 969744274 /nfs/dbraw/zinc/74/42/74/969744274.db2.gz IEFIJNRBKRCMOE-AWEZNQCLSA-N 1 0 248.326 2.792 20 5 BFBDRO CCC[N@H+](CC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595910 969744568 /nfs/dbraw/zinc/74/45/68/969744568.db2.gz AGZQHKOCOBTYOC-CQSZACIVSA-N 1 0 248.326 2.794 20 5 BFBDRO CC[N@H+](C1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597944 969745703 /nfs/dbraw/zinc/74/57/03/969745703.db2.gz JRMPCOXMJJWTGD-AWEZNQCLSA-N 1 0 246.310 2.546 20 5 BFBDRO Cc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001211188219 970169295 /nfs/dbraw/zinc/16/92/95/970169295.db2.gz GHYUKKGUBKVITQ-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO Cc1ccc(Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC001214165030 970443442 /nfs/dbraw/zinc/44/34/42/970443442.db2.gz JKGJEYLPDOVNMV-UHFFFAOYSA-N 1 0 243.266 2.772 20 5 BFBDRO C[N+](C)(C)CCCO[C@@H](c1cccnc1)C1CC1 ZINC001224623658 973804931 /nfs/dbraw/zinc/80/49/31/973804931.db2.gz PEKAVAHKFGGTHY-OAHLLOKOSA-N 1 0 249.378 2.646 20 5 BFBDRO C[C@@H]1CC[C@@H](OCCC[N+](C)(C)C)C[C@H]1C ZINC001224623317 973805418 /nfs/dbraw/zinc/80/54/18/973805418.db2.gz MCMDROUHFDDBLJ-MGPQQGTHSA-N 1 0 228.400 2.924 20 5 BFBDRO CCCC[C@@H](CC)OCC[N+](C)(C)C ZINC001224771077 973936287 /nfs/dbraw/zinc/93/62/87/973936287.db2.gz FNVJPONITCQZEU-GFCCVEGCSA-N 1 0 202.362 2.678 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]ccc2c1 ZINC001225270488 974332133 /nfs/dbraw/zinc/33/21/33/974332133.db2.gz RIGPBAZVTNPYJA-NSHDSACASA-N 1 0 233.335 2.641 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncccc2c1 ZINC001225328863 974404315 /nfs/dbraw/zinc/40/43/15/974404315.db2.gz HDKTTXNCYVRVTF-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO Cc1cc2c(cccc2O[C@H](C)C[N+](C)(C)C)[nH]1 ZINC001225466367 974510335 /nfs/dbraw/zinc/51/03/35/974510335.db2.gz CFGLYEFCPQSTMP-GFCCVEGCSA-N 1 0 247.362 2.950 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ccccc21 ZINC001225744879 974667348 /nfs/dbraw/zinc/66/73/48/974667348.db2.gz NFPOAGHOOQXEDL-LBPRGKRZSA-N 1 0 245.346 2.708 20 5 BFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)c1F ZINC001225943805 974739762 /nfs/dbraw/zinc/73/97/62/974739762.db2.gz BXOMCKGIYMIXKC-JTQLQIEISA-N 1 0 244.305 2.747 20 5 BFBDRO CC(C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899268 974961590 /nfs/dbraw/zinc/96/15/90/974961590.db2.gz VWUADOYPAVYQQC-CYBMUJFWSA-N 1 0 248.326 2.840 20 5 BFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2ccccc2c1 ZINC001226661828 975007857 /nfs/dbraw/zinc/00/78/57/975007857.db2.gz SNUNOARFYPSDRW-GFCCVEGCSA-N 1 0 245.346 2.708 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC1 ZINC001173218000 975069993 /nfs/dbraw/zinc/06/99/93/975069993.db2.gz NYZHTUPWKAWQLZ-NSHDSACASA-N 1 0 248.326 2.916 20 5 BFBDRO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218626 975072876 /nfs/dbraw/zinc/07/28/76/975072876.db2.gz RBWIPLGVVDYPIR-MNOVXSKESA-N 1 0 236.315 2.914 20 5 BFBDRO CC[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218630 975075477 /nfs/dbraw/zinc/07/54/77/975075477.db2.gz RBWIPLGVVDYPIR-WDEREUQCSA-N 1 0 236.315 2.914 20 5 BFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC1 ZINC001173211175 975076332 /nfs/dbraw/zinc/07/63/32/975076332.db2.gz QOHFSSOPFFUMPP-LLVKDONJSA-N 1 0 248.326 2.916 20 5 BFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)C1 ZINC001173211282 975077162 /nfs/dbraw/zinc/07/71/62/975077162.db2.gz RGROIECEYRSIEO-AKJDGMEZSA-N 1 0 248.326 2.914 20 5 BFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c2c1CCC2 ZINC001227232569 975319102 /nfs/dbraw/zinc/31/91/02/975319102.db2.gz UMDUXMIWXCKWCW-ZDUSSCGKSA-N 1 0 248.390 2.957 20 5 BFBDRO CC(C)c1cccc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228318158 976100921 /nfs/dbraw/zinc/10/09/21/976100921.db2.gz HRRDGQURWOJKJM-LBPRGKRZSA-N 1 0 237.367 2.679 20 5 BFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cccc1Cl ZINC001229112937 976744623 /nfs/dbraw/zinc/74/46/23/976744623.db2.gz HRGDDKWFULHVCF-VIFPVBQESA-O 1 0 244.742 2.519 20 5 BFBDRO Cc1cc(Nc2cc([N+](=O)[O-])ccc2F)cc[nH+]1 ZINC001175734021 977669754 /nfs/dbraw/zinc/66/97/54/977669754.db2.gz FIVJCEDKPZHZOD-UHFFFAOYSA-N 1 0 247.229 2.603 20 5 BFBDRO CC1([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC001346507423 980854500 /nfs/dbraw/zinc/85/45/00/980854500.db2.gz VMRBUEBNCONTOO-NSHDSACASA-N 1 0 232.283 2.724 20 5 BFBDRO C[C@H](C1CC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930442716 984953926 /nfs/dbraw/zinc/95/39/26/984953926.db2.gz YEMWSXFABJMSFN-LLVKDONJSA-N 1 0 248.326 2.868 20 5 BFBDRO CCC(CC)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565733 986676819 /nfs/dbraw/zinc/67/68/19/986676819.db2.gz GIGXYESAPCMKOE-ZDUSSCGKSA-N 1 0 248.326 2.840 20 5 BFBDRO CC[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC001473403213 987427258 /nfs/dbraw/zinc/42/72/58/987427258.db2.gz SLSQXGYXMYNKDP-MNOVXSKESA-N 1 0 249.314 2.610 20 5 BFBDRO CC(C)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001119692828 989339214 /nfs/dbraw/zinc/33/92/14/989339214.db2.gz PDIDZKKAFOXKFW-CYBMUJFWSA-N 1 0 236.315 2.640 20 5 BFBDRO