smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000754079496 712406057 /nfs/dbraw/zinc/40/60/57/712406057.db2.gz JDSDMGDCEMFGTJ-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C ZINC000712605185 712436777 /nfs/dbraw/zinc/43/67/77/712436777.db2.gz KYYMCIWFVOLURL-SNVBAGLBSA-N 1 0 235.287 2.019 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)c1 ZINC000712610271 712437563 /nfs/dbraw/zinc/43/75/63/712437563.db2.gz YKNCYUPHWULORJ-JTQLQIEISA-N 1 0 235.287 2.019 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719623939 712814398 /nfs/dbraw/zinc/81/43/98/712814398.db2.gz KDFNIHSCYBLKOX-GXFFZTMASA-N 1 0 249.314 2.408 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001168961588 969313107 /nfs/dbraw/zinc/31/31/07/969313107.db2.gz IXPYDAVOMZGLGU-WRWGMCAJSA-N 1 0 244.310 2.160 20 5 BEBDRO CCCC[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009474 969334498 /nfs/dbraw/zinc/33/44/98/969334498.db2.gz WKKVOZVQYVARIE-MNOVXSKESA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@]1(F)CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011577 969338984 /nfs/dbraw/zinc/33/89/84/969338984.db2.gz LCHXRZNBZBVJRW-UTUOFQBUSA-N 1 0 244.310 2.256 20 5 BEBDRO C[C@]1(CF)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012511 969338047 /nfs/dbraw/zinc/33/80/47/969338047.db2.gz QSFYEWVZJNCHGG-SDDRHHMPSA-N 1 0 244.310 2.113 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC(F)F)c1 ZINC000309384288 1167297693 /nfs/dbraw/zinc/29/76/93/1167297693.db2.gz RXLGPBMZCFZJLF-UHFFFAOYSA-N 1 0 230.214 2.340 20 5 BEBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001335816042 977299560 /nfs/dbraw/zinc/29/95/60/977299560.db2.gz VOCBIDXAXUKZLO-QWRGUYRKSA-N 1 0 214.309 2.212 20 5 BEBDRO CC(C)c1nccc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001233799556 1167720712 /nfs/dbraw/zinc/72/07/12/1167720712.db2.gz LGPIZVDGZYTFPU-LLVKDONJSA-N 1 0 238.355 2.074 20 5 BEBDRO CCc1cc(O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001234106881 978776259 /nfs/dbraw/zinc/77/62/59/978776259.db2.gz QGGAUFVZIPOPKQ-NSHDSACASA-O 1 0 238.351 2.428 20 5 BEBDRO C[C@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794291 974684547 /nfs/dbraw/zinc/68/45/47/974684547.db2.gz MIAPKLSVCMIRSH-MRVPVSSYSA-N 1 0 242.250 2.063 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cnc1Cl ZINC001226108901 974793544 /nfs/dbraw/zinc/79/35/44/974793544.db2.gz HXNUGDXMTSLZMK-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO Cc1ncc(CO[C@H](C)C[N+](C)(C)C)s1 ZINC001223542521 973157198 /nfs/dbraw/zinc/15/71/98/973157198.db2.gz UHPFGFYKRXBYPL-SECBINFHSA-N 1 0 229.369 2.063 20 5 BEBDRO C[N+](C)(C)CCCO[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001224623977 973808439 /nfs/dbraw/zinc/80/84/39/973808439.db2.gz RQXAPTLDKAKHMY-XQQFMLRXSA-N 1 0 210.341 2.064 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCC[Si](C)(C)C ZINC001224907524 974069633 /nfs/dbraw/zinc/06/96/33/974069633.db2.gz RPDVPKHXFXZCJV-NSHDSACASA-N 1 0 218.437 2.436 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc(F)c1 ZINC001225226323 974268131 /nfs/dbraw/zinc/26/81/31/974268131.db2.gz MXETVZUAINFAMN-VIFPVBQESA-N 1 0 230.278 2.438 20 5 BEBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC[C@@H](C)[NH3+] ZINC001170894172 972043992 /nfs/dbraw/zinc/04/39/92/972043992.db2.gz HTHKELGSFQRJJC-SSDOTTSWSA-N 1 0 241.266 2.192 20 5 BEBDRO Cc1c(NCC[C@@H](C)[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001170891473 972045990 /nfs/dbraw/zinc/04/59/90/972045990.db2.gz YQJPUUSRHZIFTR-SSDOTTSWSA-N 1 0 241.266 2.192 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)c1cccs1 ZINC001222087451 972366676 /nfs/dbraw/zinc/36/66/76/972366676.db2.gz JDILYNGUMNHQMK-JTQLQIEISA-N 1 0 242.364 2.042 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1ccsc1 ZINC001223335287 961213315 /nfs/dbraw/zinc/21/33/15/961213315.db2.gz DNSXJQVPHYZZQF-SNVBAGLBSA-N 1 0 214.354 2.359 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2n[nH]cc2c1 ZINC001225720697 962762794 /nfs/dbraw/zinc/76/27/94/962762794.db2.gz OFMNXCTYOBLMLP-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](Cc1ccco1)OCCC[N+](C)(C)C ZINC001224620728 964809172 /nfs/dbraw/zinc/80/91/72/964809172.db2.gz AKXRJDNGGZZKKC-GFCCVEGCSA-N 1 0 226.340 2.324 20 5 BEBDRO C[N+](C)(C)CCO[C@@H]1CCC(=O)c2ccccc21 ZINC001224771856 964935540 /nfs/dbraw/zinc/93/55/40/964935540.db2.gz SWQXXMRQDJUMIF-OAHLLOKOSA-N 1 0 248.346 2.427 20 5 BEBDRO CCOC(=N)CCCCO[C@@H](C)C[N+](C)(C)C ZINC001224967575 965175716 /nfs/dbraw/zinc/17/57/16/965175716.db2.gz XCDAQFGHFWWNAD-LBPRGKRZSA-N 1 0 245.387 2.282 20 5 BEBDRO Cc1cc(C)c(N2CC[C@@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC001164281818 965825658 /nfs/dbraw/zinc/82/56/58/965825658.db2.gz NYMJXNOIZPGGRU-LLVKDONJSA-N 1 0 249.314 2.057 20 5 BEBDRO CCC1(Nc2c(C)cccc2[N+](=O)[O-])C[NH2+]C1 ZINC001168583447 966929805 /nfs/dbraw/zinc/92/98/05/966929805.db2.gz LSGCEVYRRCELBR-UHFFFAOYSA-N 1 0 235.287 2.067 20 5 BEBDRO O=[N+]([O-])c1cccc(Nc2cc[nH+]c(CO)c2)c1 ZINC001204440360 966996294 /nfs/dbraw/zinc/99/62/94/966996294.db2.gz VRWOGKCFZOGQEM-UHFFFAOYSA-N 1 0 245.238 2.226 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1nc2ccccc2[nH]1 ZINC001205819298 967835189 /nfs/dbraw/zinc/83/51/89/967835189.db2.gz VSDICIWRDVWRDX-NSHDSACASA-N 1 0 248.350 2.174 20 5 BEBDRO Cc1[nH+]cc(Nc2ccccc2[N+](=O)[O-])n1C ZINC001206158297 968098413 /nfs/dbraw/zinc/09/84/13/968098413.db2.gz VNLSWTOZSOGAEB-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO Cc1occc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978231 969299207 /nfs/dbraw/zinc/29/92/07/969299207.db2.gz QCEMVARNXCWFHU-PWSUYJOCSA-N 1 0 238.287 2.123 20 5 BEBDRO CC1(C)CC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168983430 969301904 /nfs/dbraw/zinc/30/19/04/969301904.db2.gz KADRFNWYIHFFGB-ZJUUUORDSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001168955863 969303975 /nfs/dbraw/zinc/30/39/75/969303975.db2.gz CVHQQAAAROQBGY-CHWSQXEVSA-N 1 0 234.299 2.222 20 5 BEBDRO CC(C)(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168955452 969304579 /nfs/dbraw/zinc/30/45/79/969304579.db2.gz AMRPNDWFNFMXIA-UWVGGRQHSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001168961585 969313027 /nfs/dbraw/zinc/31/30/27/969313027.db2.gz IXPYDAVOMZGLGU-KXNHARMFSA-N 1 0 244.310 2.160 20 5 BEBDRO CC(C)[C@@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975281 969323636 /nfs/dbraw/zinc/32/36/36/969323636.db2.gz VWQGDJFHCNODQT-OUAUKWLOSA-N 1 0 214.309 2.066 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC001169000614 969326389 /nfs/dbraw/zinc/32/63/89/969326389.db2.gz YAYCPGTUUSFMDE-UTUOFQBUSA-N 1 0 224.304 2.130 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC23CC3)C1 ZINC001169005681 969329149 /nfs/dbraw/zinc/32/91/49/969329149.db2.gz CDVMNGRAXLJDNX-QWRGUYRKSA-N 1 0 224.304 2.060 20 5 BEBDRO CCC[N@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009782 969334170 /nfs/dbraw/zinc/33/41/70/969334170.db2.gz YEDKAMHUDXRYAD-QWRGUYRKSA-N 1 0 214.309 2.164 20 5 BEBDRO CC1(C)CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010219 969337205 /nfs/dbraw/zinc/33/72/05/969337205.db2.gz ZZGUOHAHRFOUBC-MNOVXSKESA-N 1 0 226.320 2.306 20 5 BEBDRO C[C@]1(F)CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011575 969338299 /nfs/dbraw/zinc/33/82/99/969338299.db2.gz LCHXRZNBZBVJRW-SRVKXCTJSA-N 1 0 244.310 2.256 20 5 BEBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169010591 969338466 /nfs/dbraw/zinc/33/84/66/969338466.db2.gz DWLUHJMSQRWGGL-NOOOWODRSA-N 1 0 244.310 2.112 20 5 BEBDRO CC1CC([N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014005 969341875 /nfs/dbraw/zinc/34/18/75/969341875.db2.gz XOAZHOZIQNPJKU-YECOWLKZSA-N 1 0 226.320 2.162 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC3CCC2CC3)C1 ZINC001169037498 969355021 /nfs/dbraw/zinc/35/50/21/969355021.db2.gz RZKBMMRCBHDYAH-PYNQCMFNSA-N 1 0 238.331 2.306 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C3CCC2CC3)C1 ZINC001169037213 969355614 /nfs/dbraw/zinc/35/56/14/969355614.db2.gz RDTJQJFTKFYWST-YYJSSNLHSA-N 1 0 224.304 2.059 20 5 BEBDRO C[N@H+](CC1CCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037512 969355744 /nfs/dbraw/zinc/35/57/44/969355744.db2.gz SAGGHOYXWCOSCE-NEPJUHHUSA-N 1 0 226.320 2.164 20 5 BEBDRO C[N@H+](CC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038371 969356115 /nfs/dbraw/zinc/35/61/15/969356115.db2.gz YJCBEXMIMLIGOK-QWRGUYRKSA-N 1 0 228.336 2.410 20 5 BEBDRO CC[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550821 969736008 /nfs/dbraw/zinc/73/60/08/969736008.db2.gz RPZIYSQEOANGKX-SNVBAGLBSA-N 1 0 222.288 2.478 20 5 BEBDRO C[C@@H]1C[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567471 969741076 /nfs/dbraw/zinc/74/10/76/969741076.db2.gz ONDQSNZIAAAQSH-XTWCZFFVSA-N 1 0 232.283 2.060 20 5 BEBDRO CCC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597938 969742908 /nfs/dbraw/zinc/74/29/08/969742908.db2.gz JOGWZAPDOZSTGW-CYBMUJFWSA-N 1 0 234.299 2.404 20 5 BEBDRO C[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593132 969743205 /nfs/dbraw/zinc/74/32/05/969743205.db2.gz IXIYYGJOAXSAML-IINYFYTJSA-N 1 0 246.310 2.404 20 5 BEBDRO COc1cccc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001210042340 969772244 /nfs/dbraw/zinc/77/22/44/969772244.db2.gz YENCIBBFIKPUMR-LBPRGKRZSA-N 1 0 238.351 2.307 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccncc1 ZINC001224619847 973801540 /nfs/dbraw/zinc/80/15/40/973801540.db2.gz SMMQSBUNZSFCDY-GFCCVEGCSA-N 1 0 223.340 2.256 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001224621042 973802703 /nfs/dbraw/zinc/80/27/03/973802703.db2.gz JALOJSGZFOJRKD-FRRDWIJNSA-N 1 0 212.357 2.288 20 5 BEBDRO C[C@H]([NH2+]C1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001330364788 974246609 /nfs/dbraw/zinc/24/66/09/974246609.db2.gz ZFIPMDOZTIIYDH-QMMMGPOBSA-N 1 0 235.287 2.380 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(F)c1 ZINC001225313808 974393028 /nfs/dbraw/zinc/39/30/28/974393028.db2.gz RKTANVRYYGXQBM-VIFPVBQESA-N 1 0 230.278 2.438 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)CC2 ZINC001225359093 974442814 /nfs/dbraw/zinc/44/28/14/974442814.db2.gz SOHLBWDMLNVBHU-NSHDSACASA-N 1 0 248.346 2.289 20 5 BEBDRO C[C@H](C[NH+](C)C)Oc1c(F)cccc1[N+](=O)[O-] ZINC001226006588 974759978 /nfs/dbraw/zinc/75/99/78/974759978.db2.gz GWZYKJOZQHMLHO-MRVPVSSYSA-N 1 0 242.250 2.063 20 5 BEBDRO Cc1cc(O)c(C)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226517821 974940623 /nfs/dbraw/zinc/94/06/23/974940623.db2.gz KBIUUTMAENIKEE-LLVKDONJSA-O 1 0 238.351 2.483 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ncccc21 ZINC001226542616 974949169 /nfs/dbraw/zinc/94/91/69/974949169.db2.gz ZCXXXYIJYDAGBD-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO CC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226567 975073583 /nfs/dbraw/zinc/07/35/83/975073583.db2.gz MODBGFQUXVGXGF-SNVBAGLBSA-N 1 0 222.288 2.478 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc[nH]c2n1 ZINC001226807061 975094319 /nfs/dbraw/zinc/09/43/19/975094319.db2.gz HQRTZMXTUHYXOT-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO Cc1ccc(O[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001226951332 975183894 /nfs/dbraw/zinc/18/38/94/975183894.db2.gz YMUGNEMHJZCCJH-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC001332912245 975319348 /nfs/dbraw/zinc/31/93/48/975319348.db2.gz SYLDKOOJSXCFLM-SNVBAGLBSA-N 1 0 242.344 2.278 20 5 BEBDRO Cc1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227538167 975495920 /nfs/dbraw/zinc/49/59/20/975495920.db2.gz GVVBTIPRCZHDHF-NSHDSACASA-O 1 0 224.324 2.174 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001333438773 975772281 /nfs/dbraw/zinc/77/22/81/975772281.db2.gz DKMFPMJQDIFQRG-ZIAGYGMSSA-N 1 0 248.326 2.264 20 5 BEBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)nc1C ZINC001228300736 976087821 /nfs/dbraw/zinc/08/78/21/976087821.db2.gz XSWIIVDYQFQWIE-LLVKDONJSA-N 1 0 223.340 2.172 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)cnc1F ZINC001228572752 976338527 /nfs/dbraw/zinc/33/85/27/976338527.db2.gz JCBICOAJCGURDS-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334724852 976603607 /nfs/dbraw/zinc/60/36/07/976603607.db2.gz VSEVWBZZXDOTOJ-WDEREUQCSA-N 1 0 214.309 2.212 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)OCC2 ZINC001228997872 976631986 /nfs/dbraw/zinc/63/19/86/976631986.db2.gz VSMRLEXDOQLSMC-NSHDSACASA-N 1 0 236.335 2.095 20 5 BEBDRO Cc1c[nH+]ccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475523 976793182 /nfs/dbraw/zinc/79/31/82/976793182.db2.gz HXDNLNRKMDRUQA-UHFFFAOYSA-N 1 0 229.239 2.464 20 5 BEBDRO C[C@@H]([NH2+][C@H](C)[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC001335317324 976953696 /nfs/dbraw/zinc/95/36/96/976953696.db2.gz BNZJVLFTQMACJT-BBBLOLIVSA-N 1 0 238.287 2.015 20 5 BEBDRO Cc1cc2n[nH]cc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001230225009 977132878 /nfs/dbraw/zinc/13/28/78/977132878.db2.gz FKUNLQQJZFREKG-NSHDSACASA-N 1 0 248.350 2.345 20 5 BEBDRO COc1ccc(Nc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001176360103 978050298 /nfs/dbraw/zinc/05/02/98/978050298.db2.gz SZAYGSOGOIAEIL-UHFFFAOYSA-N 1 0 245.238 2.164 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc(F)c1 ZINC001233816330 978703096 /nfs/dbraw/zinc/70/30/96/978703096.db2.gz BLGDHKHKZWJXOT-SECBINFHSA-O 1 0 228.287 2.005 20 5 BEBDRO CC(C)c1ccc(O[C@@H](C)C[N+](C)(C)C)nn1 ZINC001233885303 978722898 /nfs/dbraw/zinc/72/28/98/978722898.db2.gz DNFDDRJNIJACSY-NSHDSACASA-N 1 0 238.355 2.074 20 5 BEBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)ccc1C ZINC001234277902 978811040 /nfs/dbraw/zinc/81/10/40/978811040.db2.gz LNMRROSPCAYIPV-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1C ZINC001234277910 978811869 /nfs/dbraw/zinc/81/18/69/978811869.db2.gz LNMRROSPCAYIPV-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1noc2c1CCCC2 ZINC001234456488 978841949 /nfs/dbraw/zinc/84/19/49/978841949.db2.gz PDLRTRZXTVKFRT-SNVBAGLBSA-N 1 0 239.339 2.027 20 5 BEBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC001119819701 989429362 /nfs/dbraw/zinc/42/93/62/989429362.db2.gz UOIDLUVCEOYDQY-CYBMUJFWSA-N 1 0 234.299 2.100 20 5 BEBDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001120503501 989687134 /nfs/dbraw/zinc/68/71/34/989687134.db2.gz SHURUOXGJPKNGZ-NXEZZACHSA-N 1 0 214.309 2.068 20 5 BEBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC001618778520 1170649308 /nfs/dbraw/zinc/64/93/08/1170649308.db2.gz YFMIBMCDUAIKOQ-VXGBXAGGSA-N 1 0 240.347 2.411 20 5 BEBDRO Cc1cc(O[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000043501536 1171296448 /nfs/dbraw/zinc/29/64/48/1171296448.db2.gz RAGLDDZYJLPYMG-NSHDSACASA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[NH2+]C1 ZINC000043501544 1171296518 /nfs/dbraw/zinc/29/65/18/1171296518.db2.gz ZIVJMEVTMFDGOK-NSHDSACASA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cc(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000035056266 178155360 /nfs/dbraw/zinc/15/53/60/178155360.db2.gz LYTDNADVCRHSDE-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1cc(NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000356744333 178161219 /nfs/dbraw/zinc/16/12/19/178161219.db2.gz OJPHYXICUHVKFM-UHFFFAOYSA-N 1 0 235.287 2.021 20 5 BEBDRO Cc1cc(NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000044503003 178169922 /nfs/dbraw/zinc/16/99/22/178169922.db2.gz FSSIQUFQFJBNRG-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+](C)C ZINC000038089188 178273089 /nfs/dbraw/zinc/27/30/89/178273089.db2.gz LASNZKBMNFLHFP-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000110798899 178273203 /nfs/dbraw/zinc/27/32/03/178273203.db2.gz JBSOMFRXVVPRIT-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO CC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922451 398327034 /nfs/dbraw/zinc/32/70/34/398327034.db2.gz NQLKSZNGIZUAAF-SKDRFNHKSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1cccc(N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000235677569 398338015 /nfs/dbraw/zinc/33/80/15/398338015.db2.gz MYQVAZYVHOIDFV-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1cc(Cl)ccc1Cn1ccnc1 ZINC000048546950 343583676 /nfs/dbraw/zinc/58/36/76/343583676.db2.gz XXSQKAZIPAUNHX-UHFFFAOYSA-N 1 0 237.646 2.493 20 5 BEBDRO CC(C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610585391 343973767 /nfs/dbraw/zinc/97/37/67/343973767.db2.gz MWXMVLMZMFLFRW-UHFFFAOYSA-N 1 0 222.288 2.478 20 5 BEBDRO Cc1ccc(C[NH2+][C@H](C)CF)cc1[N+](=O)[O-] ZINC000288499153 178630325 /nfs/dbraw/zinc/63/03/25/178630325.db2.gz RSHMCCIPHDZKSA-SECBINFHSA-N 1 0 226.251 2.351 20 5 BEBDRO Cc1ccc(N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000229608419 178778314 /nfs/dbraw/zinc/77/83/14/178778314.db2.gz KCFFFUUTGVUPHG-QWRGUYRKSA-N 1 0 249.314 2.456 20 5 BEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000091481989 345595071 /nfs/dbraw/zinc/59/50/71/345595071.db2.gz ZQBQIKOQXMZNQG-ZDUSSCGKSA-N 1 0 249.314 2.347 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH3+])CCC2)c1 ZINC000235913013 178929436 /nfs/dbraw/zinc/92/94/36/178929436.db2.gz DRLOXANDFKSNBT-UHFFFAOYSA-N 1 0 235.287 2.197 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]1 ZINC000166882721 345938643 /nfs/dbraw/zinc/93/86/43/345938643.db2.gz FTDYGKGQJKPBBK-LLVKDONJSA-N 1 0 249.314 2.457 20 5 BEBDRO COCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152119489 323127968 /nfs/dbraw/zinc/12/79/68/323127968.db2.gz CAQUVNNAXUHUTK-SNVBAGLBSA-N 1 0 238.287 2.200 20 5 BEBDRO Cc1cccc(NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235896607 179148358 /nfs/dbraw/zinc/14/83/58/179148358.db2.gz WLRZTCXJTRKRQJ-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]([NH3+])C1CC1 ZINC000158952898 346737097 /nfs/dbraw/zinc/73/70/97/346737097.db2.gz YYTPKXKWHUESMW-JTQLQIEISA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[NH2+][C@@H]1C ZINC000229609087 179206483 /nfs/dbraw/zinc/20/64/83/179206483.db2.gz BLAUGTNPRBFMIE-MNOVXSKESA-N 1 0 249.314 2.456 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000112208944 179206801 /nfs/dbraw/zinc/20/68/01/179206801.db2.gz ROYBSPUCVSFPMM-UHFFFAOYSA-N 1 0 249.314 2.411 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127265793 179206974 /nfs/dbraw/zinc/20/69/74/179206974.db2.gz WASUJSUQWAKFJW-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC(C)C ZINC000595293792 348215193 /nfs/dbraw/zinc/21/51/93/348215193.db2.gz AOAUBFQOIVPJOI-UHFFFAOYSA-N 1 0 241.291 2.369 20 5 BEBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595419009 348244402 /nfs/dbraw/zinc/24/44/02/348244402.db2.gz VYRUOOWAGZYVBO-SFYZADRCSA-N 1 0 241.291 2.415 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808332 348349087 /nfs/dbraw/zinc/34/90/87/348349087.db2.gz CSLJSNPBMVMQHQ-ZYHUDNBSSA-N 1 0 232.283 2.437 20 5 BEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596424301 348528441 /nfs/dbraw/zinc/52/84/41/348528441.db2.gz GYXFRWFFWKELAJ-SNVBAGLBSA-N 1 0 237.303 2.347 20 5 BEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000052128190 323192598 /nfs/dbraw/zinc/19/25/98/323192598.db2.gz RAMYEUDWXFNWGJ-UHFFFAOYSA-N 1 0 220.272 2.437 20 5 BEBDRO CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637832 323194154 /nfs/dbraw/zinc/19/41/54/323194154.db2.gz QRTOOXWQACZHBK-UHFFFAOYSA-N 1 0 208.261 2.437 20 5 BEBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(C)c2)CCC1 ZINC000598633070 349005477 /nfs/dbraw/zinc/00/54/77/349005477.db2.gz JRMROPLMXPQESB-UHFFFAOYSA-N 1 0 249.314 2.457 20 5 BEBDRO C[NH2+]C1(CNc2cc(C)ccc2[N+](=O)[O-])CCC1 ZINC000598636535 349014179 /nfs/dbraw/zinc/01/41/79/349014179.db2.gz ZFBBTLRYSRLTGJ-UHFFFAOYSA-N 1 0 249.314 2.457 20 5 BEBDRO Cc1cc(N[C@H](C)c2ncc[nH]2)ncc1[N+](=O)[O-] ZINC000159413840 350123681 /nfs/dbraw/zinc/12/36/81/350123681.db2.gz FBTSMGCRHLDGFY-MRVPVSSYSA-N 1 0 247.258 2.194 20 5 BEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000052128171 350956738 /nfs/dbraw/zinc/95/67/38/350956738.db2.gz FLFAJSMMXXHJJK-UHFFFAOYSA-N 1 0 220.272 2.437 20 5 BEBDRO C/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000232464737 352716894 /nfs/dbraw/zinc/71/68/94/352716894.db2.gz IWQZXUMUOFCDAY-NSCUHMNNSA-N 1 0 206.245 2.261 20 5 BEBDRO CC(C)[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000054128176 188048822 /nfs/dbraw/zinc/04/88/22/188048822.db2.gz VQWAMNMVDODUHI-UHFFFAOYSA-N 1 0 237.303 2.347 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC=CCC2)cc1 ZINC000059615455 355621530 /nfs/dbraw/zinc/62/15/30/355621530.db2.gz YPHUHTOXWMRNQH-UHFFFAOYSA-N 1 0 218.256 2.357 20 5 BEBDRO CC[C@H]([NH2+]C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601423 358002589 /nfs/dbraw/zinc/00/25/89/358002589.db2.gz YJMQFGOWDXPWOH-SKDRFNHKSA-N 1 0 238.287 2.016 20 5 BEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076940817 325360271 /nfs/dbraw/zinc/36/02/71/325360271.db2.gz XNIBFGJIHHFPAO-UHFFFAOYSA-N 1 0 220.272 2.232 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cncs2)cc1 ZINC000054788126 358873625 /nfs/dbraw/zinc/87/36/25/358873625.db2.gz CGJWYMCXKZCVIF-UHFFFAOYSA-N 1 0 249.295 2.341 20 5 BEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090795295 363880654 /nfs/dbraw/zinc/88/06/54/363880654.db2.gz YAKKAWOLXJYMNE-CMPLNLGQSA-N 1 0 249.314 2.489 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC23CC3)c1 ZINC000418099540 219947442 /nfs/dbraw/zinc/94/74/42/219947442.db2.gz PWPSDZIFHKQUNJ-NSHDSACASA-N 1 0 232.283 2.485 20 5 BEBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000309949549 370277703 /nfs/dbraw/zinc/27/77/03/370277703.db2.gz FNKOJQAEDHSIAL-UHFFFAOYSA-N 1 0 241.316 2.162 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000125249713 371309318 /nfs/dbraw/zinc/30/93/18/371309318.db2.gz HHACPIFMSATYIL-UHFFFAOYSA-N 1 0 218.256 2.403 20 5 BEBDRO COc1ccc(C[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC000125262788 371310333 /nfs/dbraw/zinc/31/03/33/371310333.db2.gz UCJGYUKRTGGJIB-UHFFFAOYSA-N 1 0 248.282 2.412 20 5 BEBDRO O=[N+]([O-])c1ccccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000021818942 371496642 /nfs/dbraw/zinc/49/66/42/371496642.db2.gz OQALBAQZJPXPDH-LBPRGKRZSA-N 1 0 247.298 2.101 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC=CC2)cs1 ZINC000131185795 371567219 /nfs/dbraw/zinc/56/72/19/371567219.db2.gz FGAOHXARSBNFFZ-UHFFFAOYSA-N 1 0 224.285 2.465 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC=CC1 ZINC000132540043 371856606 /nfs/dbraw/zinc/85/66/06/371856606.db2.gz CUVMZWIUOBNKNF-UHFFFAOYSA-N 1 0 218.256 2.403 20 5 BEBDRO CCCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079341 168867348 /nfs/dbraw/zinc/86/73/48/168867348.db2.gz LZTORCUDFXLCPY-UHFFFAOYSA-N 1 0 238.287 2.363 20 5 BEBDRO CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282481728 169078400 /nfs/dbraw/zinc/07/84/00/169078400.db2.gz OYHWMLMXBMDFSE-UHFFFAOYSA-N 1 0 222.288 2.479 20 5 BEBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1C ZINC000054267425 169260134 /nfs/dbraw/zinc/26/01/34/169260134.db2.gz SRRXWBOVLGWKAX-UHFFFAOYSA-N 1 0 237.303 2.315 20 5 BEBDRO CC(C)(C)[NH2+]CCNc1sccc1[N+](=O)[O-] ZINC000302008985 166631547 /nfs/dbraw/zinc/63/15/47/166631547.db2.gz XMNMMVBAAPHSFL-UHFFFAOYSA-N 1 0 243.332 2.456 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000050269148 383986698 /nfs/dbraw/zinc/98/66/98/383986698.db2.gz QBRDJNGDHMAGGZ-ZDUSSCGKSA-N 1 0 248.282 2.377 20 5 BEBDRO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000286323136 384271490 /nfs/dbraw/zinc/27/14/90/384271490.db2.gz ZVHDGHYGGIUDDU-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000289807645 384475924 /nfs/dbraw/zinc/47/59/24/384475924.db2.gz MQUADALYZSKYPY-LBPRGKRZSA-N 1 0 238.287 2.109 20 5 BEBDRO CC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000289948537 384527013 /nfs/dbraw/zinc/52/70/13/384527013.db2.gz XJUBKXKETQXHCR-SECBINFHSA-N 1 0 244.316 2.171 20 5 BEBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000054128107 384823497 /nfs/dbraw/zinc/82/34/97/384823497.db2.gz HOXWXEYHHITZHN-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO Cc1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000062010352 385023708 /nfs/dbraw/zinc/02/37/08/385023708.db2.gz UUMLGFMNTIWROW-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC2)c1 ZINC000052207608 385244661 /nfs/dbraw/zinc/24/46/61/385244661.db2.gz XDBLKBJMDMSUND-UHFFFAOYSA-N 1 0 206.245 2.237 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1CNc1c[nH]cn1 ZINC000589514325 385322052 /nfs/dbraw/zinc/32/20/52/385322052.db2.gz WKMLBFXGHCXEDS-UHFFFAOYSA-N 1 0 232.243 2.238 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[N@H+]1CC=CCC1 ZINC000280154531 385265515 /nfs/dbraw/zinc/26/55/15/385265515.db2.gz FZUFBDXOUNWDOF-UHFFFAOYSA-N 1 0 247.298 2.269 20 5 BEBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000131607039 385346411 /nfs/dbraw/zinc/34/64/11/385346411.db2.gz BIZGJOPODVVCBJ-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052273906 385715507 /nfs/dbraw/zinc/71/55/07/385715507.db2.gz GBFDEEYIOSVEOQ-MWLCHTKSSA-N 1 0 220.272 2.401 20 5 BEBDRO Cc1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000397990691 385728985 /nfs/dbraw/zinc/72/89/85/385728985.db2.gz WUYGFTJZUKYSAF-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000129316703 385779943 /nfs/dbraw/zinc/77/99/43/385779943.db2.gz OKTVQKSKQDEHFC-CYBMUJFWSA-N 1 0 249.314 2.396 20 5 BEBDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000085984302 386696101 /nfs/dbraw/zinc/69/61/01/386696101.db2.gz WOSBGXSEVOKQGP-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000439663628 387007785 /nfs/dbraw/zinc/00/77/85/387007785.db2.gz SHPKVKUSDRLJOP-STQMWFEESA-N 1 0 249.314 2.489 20 5 BEBDRO CC[C@@H]([NH2+]C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601424 387374279 /nfs/dbraw/zinc/37/42/79/387374279.db2.gz YJMQFGOWDXPWOH-BXKDBHETSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@@H]([NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176685 388191470 /nfs/dbraw/zinc/19/14/70/388191470.db2.gz SAQAFMNVVVEYOV-MRVPVSSYSA-N 1 0 206.245 2.408 20 5 BEBDRO CC(C)([NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227890113 388372675 /nfs/dbraw/zinc/37/26/75/388372675.db2.gz GTQFTNLWMYCCDA-UHFFFAOYSA-N 1 0 245.229 2.022 20 5 BEBDRO CO[C@H](C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986208 388375068 /nfs/dbraw/zinc/37/50/68/388375068.db2.gz OLFNUDSMCRXGOJ-NXEZZACHSA-N 1 0 238.287 2.280 20 5 BEBDRO Cc1noc(C[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000595309396 388381111 /nfs/dbraw/zinc/38/11/11/388381111.db2.gz SDESALCUXTZEOS-UHFFFAOYSA-N 1 0 239.275 2.266 20 5 BEBDRO C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000078536032 388682690 /nfs/dbraw/zinc/68/26/90/388682690.db2.gz ZFIMCKFCZAVWSV-CYBMUJFWSA-N 1 0 249.314 2.347 20 5 BEBDRO CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000298755489 388651170 /nfs/dbraw/zinc/65/11/70/388651170.db2.gz PDUMCNKYDFGPDM-UHFFFAOYSA-N 1 0 200.263 2.108 20 5 BEBDRO CC[C@@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000079712481 388698009 /nfs/dbraw/zinc/69/80/09/388698009.db2.gz JEJNANXGBDJVKP-NSHDSACASA-N 1 0 238.287 2.109 20 5 BEBDRO CN(CCC[NH+](C)C)c1sccc1[N+](=O)[O-] ZINC000301987766 388724858 /nfs/dbraw/zinc/72/48/58/388724858.db2.gz DNXRFTYEKQETSI-UHFFFAOYSA-N 1 0 243.332 2.044 20 5 BEBDRO CC[NH+](CC)CCNc1sccc1[N+](=O)[O-] ZINC000301980453 388727407 /nfs/dbraw/zinc/72/74/07/388727407.db2.gz GKHVSIDMQWVZLG-UHFFFAOYSA-N 1 0 243.332 2.410 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000094663369 132239051 /nfs/dbraw/zinc/23/90/51/132239051.db2.gz NUQQWHFRSANZIK-QWRGUYRKSA-N 1 0 249.314 2.090 20 5 BEBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000356831295 132272222 /nfs/dbraw/zinc/27/22/22/132272222.db2.gz VCYGYUVNTOAATG-LLVKDONJSA-N 1 0 249.314 2.044 20 5 BEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000356796655 132272489 /nfs/dbraw/zinc/27/24/89/132272489.db2.gz RDGCQBCZFGXMLC-WDEREUQCSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253195214 135124097 /nfs/dbraw/zinc/12/40/97/135124097.db2.gz RGBRYCFBOOWULH-GHMZBOCLSA-N 1 0 249.314 2.016 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@](C)(C[NH3+])C1 ZINC000261576222 135217670 /nfs/dbraw/zinc/21/76/70/135217670.db2.gz NNSSIXCJNCAKNL-CYBMUJFWSA-N 1 0 249.314 2.078 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)[NH3+])c1 ZINC000261598425 135236436 /nfs/dbraw/zinc/23/64/36/135236436.db2.gz ZMYYQARITBOBMS-DTWKUNHWSA-N 1 0 223.276 2.051 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000342227360 135253733 /nfs/dbraw/zinc/25/37/33/135253733.db2.gz YOSPWRVVQIVOMJ-DTWKUNHWSA-N 1 0 242.225 2.338 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]1C(F)F ZINC000342227363 135254093 /nfs/dbraw/zinc/25/40/93/135254093.db2.gz YOSPWRVVQIVOMJ-RKDXNWHRSA-N 1 0 242.225 2.338 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]2C(F)F)cs1 ZINC000348220276 136047270 /nfs/dbraw/zinc/04/72/70/136047270.db2.gz NCNXOLHEQSTYCF-RNFRBKRXSA-N 1 0 248.254 2.400 20 5 BEBDRO [NH3+]CCCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000236214131 397734595 /nfs/dbraw/zinc/73/45/95/397734595.db2.gz VUAODXKIYHWEAJ-UHFFFAOYSA-N 1 0 245.229 2.024 20 5 BEBDRO CC(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472312 167010054 /nfs/dbraw/zinc/01/00/54/167010054.db2.gz NAHMTYVIZVOHLS-UHFFFAOYSA-N 1 0 214.290 2.402 20 5 BEBDRO C[NH+](C)C(C)(C)CNc1sccc1[N+](=O)[O-] ZINC000302008497 172398004 /nfs/dbraw/zinc/39/80/04/172398004.db2.gz XFHDXQACYFWXIT-UHFFFAOYSA-N 1 0 243.332 2.408 20 5 BEBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000044563075 173006056 /nfs/dbraw/zinc/00/60/56/173006056.db2.gz FMIFRSSJOYPLNX-CYBMUJFWSA-N 1 0 249.314 2.491 20 5 BEBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000044537600 173042811 /nfs/dbraw/zinc/04/28/11/173042811.db2.gz SZKHJBAYBVHMES-LLVKDONJSA-N 1 0 249.314 2.349 20 5 BEBDRO C[NH2+]C[C@@H]1CCCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000133289207 173369521 /nfs/dbraw/zinc/36/95/21/173369521.db2.gz XXTOJHGWAWGFRE-NSHDSACASA-N 1 0 249.314 2.091 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000129556625 173375157 /nfs/dbraw/zinc/37/51/57/173375157.db2.gz QNHWFMMPYFQHEV-JTQLQIEISA-N 1 0 237.303 2.171 20 5 BEBDRO COCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292112002 174330040 /nfs/dbraw/zinc/33/00/40/174330040.db2.gz JDTHSIOYYHOOAW-UHFFFAOYSA-N 1 0 238.287 2.066 20 5 BEBDRO CSCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000048068923 175486845 /nfs/dbraw/zinc/48/68/45/175486845.db2.gz NFYDBVIEVHEJHX-UHFFFAOYSA-N 1 0 240.328 2.438 20 5 BEBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000309309145 176217189 /nfs/dbraw/zinc/21/71/89/176217189.db2.gz NULAHIYHNDCCCP-SKDRFNHKSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000293397859 176305405 /nfs/dbraw/zinc/30/54/05/176305405.db2.gz LISQJWJHUZINLW-NXEZZACHSA-N 1 0 220.272 2.435 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000124736240 176440573 /nfs/dbraw/zinc/44/05/73/176440573.db2.gz YEEBQPNXAPFSBL-PWSUYJOCSA-N 1 0 234.299 2.383 20 5 BEBDRO C[C@H](F)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000339482855 176740550 /nfs/dbraw/zinc/74/05/50/176740550.db2.gz JWYZGTOMPCUBNH-VIFPVBQESA-N 1 0 226.251 2.433 20 5 BEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000293397866 177265483 /nfs/dbraw/zinc/26/54/83/177265483.db2.gz LISQJWJHUZINLW-VHSXEESVSA-N 1 0 220.272 2.435 20 5 BEBDRO C[C@]1(CNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000129316457 177463637 /nfs/dbraw/zinc/46/36/37/177463637.db2.gz OKTVQKSKQDEHFC-ZDUSSCGKSA-N 1 0 249.314 2.396 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC23CC3)cc1 ZINC000566095053 322956854 /nfs/dbraw/zinc/95/68/54/322956854.db2.gz AMNYEEMSTLXWIT-LLVKDONJSA-N 1 0 218.256 2.237 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397863163 323099161 /nfs/dbraw/zinc/09/91/61/323099161.db2.gz FYEWQQXROUSMEI-ZSBIGDGJSA-N 1 0 232.283 2.483 20 5 BEBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000261580943 536404504 /nfs/dbraw/zinc/40/45/04/536404504.db2.gz NETRVGYALYZYDP-SSDOTTSWSA-N 1 0 243.694 2.268 20 5 BEBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791053003 583385428 /nfs/dbraw/zinc/38/54/28/583385428.db2.gz RLDMPECOHVSBNG-CQSZACIVSA-N 1 0 248.326 2.279 20 5 BEBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000858822295 588977526 /nfs/dbraw/zinc/97/75/26/588977526.db2.gz JAXTXXCOXXITRP-WDEREUQCSA-N 1 0 249.314 2.172 20 5 BEBDRO CC[NH2+]Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901393821 584437879 /nfs/dbraw/zinc/43/78/79/584437879.db2.gz DSCCMWVVWBRUPA-UHFFFAOYSA-N 1 0 247.254 2.359 20 5 BEBDRO C[C@H]1C[C@@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735998 585371951 /nfs/dbraw/zinc/37/19/51/585371951.db2.gz CAIYRESGPHVKNG-WDEREUQCSA-N 1 0 249.314 2.016 20 5 BEBDRO Cc1c(C[N@@H+]2CC[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000761100131 585409027 /nfs/dbraw/zinc/40/90/27/585409027.db2.gz YCACJMFDMUPPSD-GXFFZTMASA-N 1 0 232.283 2.497 20 5 BEBDRO Cc1c(C[N@@H+]2CC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000761100133 585409092 /nfs/dbraw/zinc/40/90/92/585409092.db2.gz YCACJMFDMUPPSD-MFKMUULPSA-N 1 0 232.283 2.497 20 5 BEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000774536809 585660929 /nfs/dbraw/zinc/66/09/29/585660929.db2.gz MPLOWHRSQOOCON-WDEREUQCSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000774536801 585661043 /nfs/dbraw/zinc/66/10/43/585661043.db2.gz MPLOWHRSQOOCON-GHMZBOCLSA-N 1 0 249.314 2.124 20 5 BEBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000779860337 585769170 /nfs/dbraw/zinc/76/91/70/585769170.db2.gz XCNROUFPEMXYPJ-JTQLQIEISA-N 1 0 240.307 2.034 20 5 BEBDRO CC(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499801 585925851 /nfs/dbraw/zinc/92/58/51/585925851.db2.gz WUQNDXYNTXUCHJ-VIFPVBQESA-N 1 0 237.303 2.484 20 5 BEBDRO C[C@H](c1ccc(F)cc1)N(C)CC[N+](=O)[O-] ZINC000791052731 585972690 /nfs/dbraw/zinc/97/26/90/585972690.db2.gz BBXYVAZXAAIHKZ-SECBINFHSA-N 1 0 226.251 2.095 20 5 BEBDRO CC(C)(C)[C@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791052112 585972912 /nfs/dbraw/zinc/97/29/12/585972912.db2.gz LKVQYAPHGLOCON-NSHDSACASA-N 1 0 228.336 2.411 20 5 BEBDRO C[C@@H]([NH2+]CCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597241 586688677 /nfs/dbraw/zinc/68/86/77/586688677.db2.gz QOARRLFXPKSCDV-MRVPVSSYSA-N 1 0 241.266 2.187 20 5 BEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000817131669 586783267 /nfs/dbraw/zinc/78/32/67/586783267.db2.gz KBBIKGPSBXEMKX-ZDUSSCGKSA-N 1 0 249.314 2.125 20 5 BEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC1 ZINC000866213814 589480944 /nfs/dbraw/zinc/48/09/44/589480944.db2.gz ZIPCQODCAFWOFF-QMMMGPOBSA-N 1 0 238.262 2.417 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000880292931 590986985 /nfs/dbraw/zinc/98/69/85/590986985.db2.gz YCRPQYFFQOWJMY-LLVKDONJSA-N 1 0 238.262 2.386 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216211299 592014814 /nfs/dbraw/zinc/01/48/14/592014814.db2.gz SZJZCFUPDACMRR-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[NH+]1C2CCC1CC2 ZINC000885949181 592113771 /nfs/dbraw/zinc/11/37/71/592113771.db2.gz QCWJBNSHXQFOLK-UHFFFAOYSA-N 1 0 233.271 2.117 20 5 BEBDRO CC[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885984145 592122202 /nfs/dbraw/zinc/12/22/02/592122202.db2.gz YJAFHRNYWGUOKC-LLVKDONJSA-N 1 0 235.287 2.364 20 5 BEBDRO CC[C@H](C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886005399 592128719 /nfs/dbraw/zinc/12/87/19/592128719.db2.gz ADHGSFAKNFNLJO-JTQLQIEISA-N 1 0 237.303 2.468 20 5 BEBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886032569 592136788 /nfs/dbraw/zinc/13/67/88/592136788.db2.gz JCYHEDXBJNHKMR-ZJUUUORDSA-N 1 0 235.287 2.220 20 5 BEBDRO C[N@H+](CCC1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886081691 592144240 /nfs/dbraw/zinc/14/42/40/592144240.db2.gz VTTUIPGRJZOOHJ-UHFFFAOYSA-N 1 0 235.287 2.222 20 5 BEBDRO Cc1cccc([C@@H](C)[NH2+]CC[N+](=O)[O-])c1C ZINC000309508010 632435275 /nfs/dbraw/zinc/43/52/75/632435275.db2.gz WLFSESPFYIADLI-LLVKDONJSA-N 1 0 222.288 2.231 20 5 BEBDRO CSCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000070185007 632532748 /nfs/dbraw/zinc/53/27/48/632532748.db2.gz KGCCFYJVZIADBJ-UHFFFAOYSA-N 1 0 240.328 2.356 20 5 BEBDRO CCc1ccc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC000930564834 633899892 /nfs/dbraw/zinc/89/98/92/633899892.db2.gz OHBIMFRXZHCDTQ-CQSZACIVSA-N 1 0 248.326 2.315 20 5 BEBDRO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341589262 636284929 /nfs/dbraw/zinc/28/49/29/636284929.db2.gz SFCMONRYSVVWET-LPEHRKFASA-N 1 0 238.287 2.015 20 5 BEBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000905040020 637558954 /nfs/dbraw/zinc/55/89/54/637558954.db2.gz YHAUGOPKUDJFGR-UHFFFAOYSA-N 1 0 248.204 2.072 20 5 BEBDRO C[C@@H]1CCC[C@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905121207 637627447 /nfs/dbraw/zinc/62/74/47/637627447.db2.gz BCRUFOWQXKHUDO-GHMZBOCLSA-N 1 0 214.309 2.069 20 5 BEBDRO Cc1ccc(C(C)(C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905096424 637633346 /nfs/dbraw/zinc/63/33/46/637633346.db2.gz JDJKPVHXBVCDDL-UHFFFAOYSA-N 1 0 236.315 2.139 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CC1CC(c2ccccc2)C1 ZINC000905255269 637711926 /nfs/dbraw/zinc/71/19/26/637711926.db2.gz SEGZVLROWDYXAF-UHFFFAOYSA-N 1 0 234.299 2.047 20 5 BEBDRO CCSc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905261492 637715491 /nfs/dbraw/zinc/71/54/91/637715491.db2.gz HMNOPUGQIMJZPB-UHFFFAOYSA-N 1 0 240.328 2.165 20 5 BEBDRO CC1(C)[C@@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000905285835 637738436 /nfs/dbraw/zinc/73/84/36/637738436.db2.gz WSRIKVPTEKDAND-STQMWFEESA-N 1 0 248.326 2.293 20 5 BEBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905286728 637739021 /nfs/dbraw/zinc/73/90/21/637739021.db2.gz RHBDHCKWWNUXBP-LLVKDONJSA-N 1 0 214.309 2.212 20 5 BEBDRO Cc1c(C[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000035648574 639795639 /nfs/dbraw/zinc/79/56/39/639795639.db2.gz ICFXHWWORCJUHJ-UHFFFAOYSA-N 1 0 206.245 2.155 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000930530958 639804778 /nfs/dbraw/zinc/80/47/78/639804778.db2.gz FZUXDTVNDCDYIR-NSHDSACASA-N 1 0 226.320 2.356 20 5 BEBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000931746684 640344002 /nfs/dbraw/zinc/34/40/02/640344002.db2.gz KHQHXJBTDGKDAW-WCQYABFASA-N 1 0 234.299 2.346 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C1 ZINC000158932127 641657739 /nfs/dbraw/zinc/65/77/39/641657739.db2.gz VYRAESRVLLTYSW-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C1 ZINC000158932246 641658275 /nfs/dbraw/zinc/65/82/75/641658275.db2.gz VYRAESRVLLTYSW-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO CCC[N@H+](CC[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000929144443 645970017 /nfs/dbraw/zinc/97/00/17/645970017.db2.gz FOIGTTLJCGZMSI-UHFFFAOYSA-N 1 0 236.315 2.484 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000929290552 646065401 /nfs/dbraw/zinc/06/54/01/646065401.db2.gz WRUUJLXWXUDELS-AWEZNQCLSA-N 1 0 248.326 2.360 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000929380109 646104151 /nfs/dbraw/zinc/10/41/51/646104151.db2.gz XYJUHAPNPJZYBV-UHFFFAOYSA-N 1 0 222.288 2.094 20 5 BEBDRO CC(C)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929400495 646109310 /nfs/dbraw/zinc/10/93/10/646109310.db2.gz BGGCHCYXVCMUFM-UHFFFAOYSA-N 1 0 236.315 2.421 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000929625117 646208962 /nfs/dbraw/zinc/20/89/62/646208962.db2.gz UWVPIIJZDVLBRO-UHFFFAOYSA-N 1 0 226.320 2.309 20 5 BEBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929647771 646219351 /nfs/dbraw/zinc/21/93/51/646219351.db2.gz BLENQWQXJNNTMD-CQSZACIVSA-N 1 0 248.326 2.279 20 5 BEBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000929653459 646221718 /nfs/dbraw/zinc/22/17/18/646221718.db2.gz BXSZJBYLAMOBFE-YPMHNXCESA-N 1 0 234.299 2.141 20 5 BEBDRO O=[N+]([O-])CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000929889981 646367957 /nfs/dbraw/zinc/36/79/57/646367957.db2.gz KSRIKUCDOZGQOT-AWEZNQCLSA-N 1 0 246.310 2.415 20 5 BEBDRO CC[N@@H+]1CC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597621 712435848 /nfs/dbraw/zinc/43/58/48/712435848.db2.gz YWTUNEGPGPMJBP-JTQLQIEISA-N 1 0 235.287 2.101 20 5 BEBDRO Cc1cc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000712609633 712437618 /nfs/dbraw/zinc/43/76/18/712437618.db2.gz WAQFWELHUAZRFL-NSHDSACASA-N 1 0 235.287 2.019 20 5 BEBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000719620773 712817661 /nfs/dbraw/zinc/81/76/61/712817661.db2.gz AAVWDNWOMOGBBO-ZYHUDNBSSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000719620770 712817665 /nfs/dbraw/zinc/81/76/65/712817665.db2.gz AAVWDNWOMOGBBO-JQWIXIFHSA-N 1 0 249.314 2.408 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccnc1F ZINC001224620719 964809899 /nfs/dbraw/zinc/80/98/99/964809899.db2.gz BSYJJUIOAWYHSY-LLVKDONJSA-N 1 0 241.330 2.395 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC001168984909 969302583 /nfs/dbraw/zinc/30/25/83/969302583.db2.gz RECVQBRBGXCFGH-OPRDCNLKSA-N 1 0 248.273 2.209 20 5 BEBDRO CC(C)[C@@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975282 969322826 /nfs/dbraw/zinc/32/28/26/969322826.db2.gz VWQGDJFHCNODQT-VWYCJHECSA-N 1 0 214.309 2.066 20 5 BEBDRO CCCC[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009475 969333369 /nfs/dbraw/zinc/33/33/69/969333369.db2.gz WKKVOZVQYVARIE-QWRGUYRKSA-N 1 0 214.309 2.164 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228083780 1166752346 /nfs/dbraw/zinc/75/23/46/1166752346.db2.gz XFUSWMBMZJNDIR-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334724850 976601371 /nfs/dbraw/zinc/60/13/71/976601371.db2.gz VSEVWBZZXDOTOJ-MNOVXSKESA-N 1 0 214.309 2.212 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCCc1ccsc1 ZINC001224535431 973753043 /nfs/dbraw/zinc/75/30/43/973753043.db2.gz PBOVAHDEYHAEAV-NSHDSACASA-N 1 0 228.381 2.402 20 5 BEBDRO CC(C)=CCCO[C@H](C)C[N+](C)(C)C ZINC001224717520 973887168 /nfs/dbraw/zinc/88/71/68/973887168.db2.gz YGVGFUGETHMYJS-GFCCVEGCSA-N 1 0 200.346 2.454 20 5 BEBDRO C[C@H]1CCCC[C@@H]1OCC[N+](C)(C)C ZINC001224772208 973937874 /nfs/dbraw/zinc/93/78/74/973937874.db2.gz WYXLORSDECSYOV-RYUDHWBXSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170890834 972042889 /nfs/dbraw/zinc/04/28/89/972042889.db2.gz IGKXRLHRPAPJED-MRVPVSSYSA-N 1 0 248.286 2.225 20 5 BEBDRO Cc1cccc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001167589612 958974761 /nfs/dbraw/zinc/97/47/61/958974761.db2.gz KNUOTKIITDLQPP-UHFFFAOYSA-N 1 0 231.255 2.153 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(F)c1F ZINC001225924641 962915594 /nfs/dbraw/zinc/91/55/94/962915594.db2.gz QDLGUTWPVLKNQV-VIFPVBQESA-N 1 0 230.278 2.438 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(Cl)c1F ZINC001228580432 963866517 /nfs/dbraw/zinc/86/65/17/963866517.db2.gz NNFLDCBHNOQSCS-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO Cc1c(NCC[NH+](C)C)cc(F)cc1[N+](=O)[O-] ZINC001161669127 964678133 /nfs/dbraw/zinc/67/81/33/964678133.db2.gz ZUBRATCTMAESPG-UHFFFAOYSA-N 1 0 241.266 2.016 20 5 BEBDRO CC[N+](C)(C)Cc1ccccc1NCC1COC1 ZINC001161949105 964833610 /nfs/dbraw/zinc/83/36/10/964833610.db2.gz GRLRMQAHWOQAQP-UHFFFAOYSA-N 1 0 249.378 2.341 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N(C)C(C)(C)C[NH3+] ZINC000714242681 965788890 /nfs/dbraw/zinc/78/88/90/965788890.db2.gz BZARWTOSXYUMKN-UHFFFAOYSA-N 1 0 237.303 2.077 20 5 BEBDRO [NH3+]CCONc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001164439093 965883834 /nfs/dbraw/zinc/88/38/34/965883834.db2.gz PCBUMXNVOCACQB-UHFFFAOYSA-N 1 0 247.254 2.050 20 5 BEBDRO CC1(C)CC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168983427 969302198 /nfs/dbraw/zinc/30/21/98/969302198.db2.gz KADRFNWYIHFFGB-NXEZZACHSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001168955865 969305163 /nfs/dbraw/zinc/30/51/63/969305163.db2.gz CVHQQAAAROQBGY-OLZOCXBDSA-N 1 0 234.299 2.222 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccs2)C1 ZINC001168958060 969307717 /nfs/dbraw/zinc/30/77/17/969307717.db2.gz LJEJCZPMHANGBQ-VHSXEESVSA-N 1 0 240.328 2.283 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168959962 969310020 /nfs/dbraw/zinc/31/00/20/969310020.db2.gz YHMHNBIGJWDDJB-LOWVWBTDSA-N 1 0 249.314 2.178 20 5 BEBDRO CCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958770 969310458 /nfs/dbraw/zinc/31/04/58/969310458.db2.gz PMNODRFZQIAHAD-MNOVXSKESA-N 1 0 214.309 2.212 20 5 BEBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168961201 969312206 /nfs/dbraw/zinc/31/22/06/969312206.db2.gz HTPGEFGQTJOVSE-KOLCDFICSA-N 1 0 226.320 2.210 20 5 BEBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168961200 969313927 /nfs/dbraw/zinc/31/39/27/969313927.db2.gz HTPGEFGQTJOVSE-GXSJLCMTSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)C1 ZINC001168964212 969315866 /nfs/dbraw/zinc/31/58/66/969315866.db2.gz RUTQTDARACGENX-YFKTTZPYSA-N 1 0 244.310 2.302 20 5 BEBDRO CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966550 969319173 /nfs/dbraw/zinc/31/91/73/969319173.db2.gz JKQOXHCCVGEEMW-QWRGUYRKSA-N 1 0 226.320 2.212 20 5 BEBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168975696 969324781 /nfs/dbraw/zinc/32/47/81/969324781.db2.gz WSABIYVPVHMZHB-UTUOFQBUSA-N 1 0 249.314 2.178 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC001168997972 969326378 /nfs/dbraw/zinc/32/63/78/969326378.db2.gz GWVNLXAMEOAMDF-IJLUTSLNSA-N 1 0 224.304 2.130 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001169003084 969327130 /nfs/dbraw/zinc/32/71/30/969327130.db2.gz NBCVSSQCSCCRSX-UJPOAAIJSA-N 1 0 238.331 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](F)CC2)C1 ZINC001169014060 969342922 /nfs/dbraw/zinc/34/29/22/969342922.db2.gz YQYJAIHIWDBPFH-UTUOFQBUSA-N 1 0 244.310 2.256 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CCCC3)C1 ZINC001168988885 969344739 /nfs/dbraw/zinc/34/47/39/969344739.db2.gz UPLJLMFFUHQLOT-WOPDTQHZSA-N 1 0 238.331 2.354 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(CF)CC2)C1 ZINC001169038569 969355544 /nfs/dbraw/zinc/35/55/44/969355544.db2.gz ZSJBUAGDFYLZQE-NWDGAFQWSA-N 1 0 244.310 2.113 20 5 BEBDRO CC1(C)[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169038484 969356670 /nfs/dbraw/zinc/35/66/70/969356670.db2.gz ZCJAYPDREYQOCN-WHOHXGKFSA-N 1 0 238.331 2.020 20 5 BEBDRO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036828 969356686 /nfs/dbraw/zinc/35/66/86/969356686.db2.gz QEUMWEMISFMEFJ-IJLUTSLNSA-N 1 0 226.320 2.306 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC3(CCC3)C2)C1 ZINC001169037566 969356774 /nfs/dbraw/zinc/35/67/74/969356774.db2.gz SOFBTTCXSKHVQC-RYUDHWBXSA-N 1 0 238.331 2.308 20 5 BEBDRO C[N@H+](CC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038372 969356976 /nfs/dbraw/zinc/35/69/76/969356976.db2.gz YJCBEXMIMLIGOK-WDEREUQCSA-N 1 0 228.336 2.410 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC3CCC2CC3)C1 ZINC001169037496 969356995 /nfs/dbraw/zinc/35/69/95/969356995.db2.gz RZKBMMRCBHDYAH-POOIEITISA-N 1 0 238.331 2.306 20 5 BEBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169046850 969363405 /nfs/dbraw/zinc/36/34/05/969363405.db2.gz NTGXOOAQXJHDBB-SDDRHHMPSA-N 1 0 238.331 2.306 20 5 BEBDRO CC1(C)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026328 969366343 /nfs/dbraw/zinc/36/63/43/969366343.db2.gz KWRBLQVNESJQRZ-MNOVXSKESA-N 1 0 226.320 2.164 20 5 BEBDRO Cc1cccc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169231955 969509626 /nfs/dbraw/zinc/50/96/26/969509626.db2.gz XCIQZGYXQMLULT-VIFPVBQESA-N 1 0 246.270 2.109 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1-n1ccc([C@H](C)[NH3+])n1 ZINC001169231941 969510036 /nfs/dbraw/zinc/51/00/36/969510036.db2.gz WXJFBMCDLXRWKH-VIFPVBQESA-N 1 0 246.270 2.109 20 5 BEBDRO CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568399 969739286 /nfs/dbraw/zinc/73/92/86/969739286.db2.gz UGMFZYQBNNMFDA-LLVKDONJSA-N 1 0 220.272 2.062 20 5 BEBDRO C[C@@H]1C[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567469 969739839 /nfs/dbraw/zinc/73/98/39/969739839.db2.gz ONDQSNZIAAAQSH-WLTAIBSBSA-N 1 0 232.283 2.060 20 5 BEBDRO CC(C)(C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566202 969740661 /nfs/dbraw/zinc/74/06/61/969740661.db2.gz IRAULXJZRYNRRX-NSHDSACASA-N 1 0 234.299 2.450 20 5 BEBDRO C[C@@H]1C[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567473 969740814 /nfs/dbraw/zinc/74/08/14/969740814.db2.gz ONDQSNZIAAAQSH-YDEJPDAXSA-N 1 0 232.283 2.060 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCC1)C2 ZINC001254571287 969741699 /nfs/dbraw/zinc/74/16/99/969741699.db2.gz RRUWQLCZCAQBOD-GFCCVEGCSA-N 1 0 232.283 2.204 20 5 BEBDRO COc1cccc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001210042335 969774723 /nfs/dbraw/zinc/77/47/23/969774723.db2.gz YENCIBBFIKPUMR-GFCCVEGCSA-N 1 0 238.351 2.307 20 5 BEBDRO COc1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001210345538 969872601 /nfs/dbraw/zinc/87/26/01/969872601.db2.gz MNLYYCBTBQOFNL-LBPRGKRZSA-N 1 0 238.351 2.307 20 5 BEBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]cc1 ZINC001211284847 970215174 /nfs/dbraw/zinc/21/51/74/970215174.db2.gz PNPGJRPKYAEPJB-UHFFFAOYSA-N 1 0 229.239 2.464 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCC1CCCC1 ZINC001222708131 972652422 /nfs/dbraw/zinc/65/24/22/972652422.db2.gz LPUIEFZKPJHHID-LLVKDONJSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])cc1 ZINC001222791457 972698762 /nfs/dbraw/zinc/69/87/62/972698762.db2.gz RUOXYTLJNGDHGM-JTQLQIEISA-N 1 0 238.287 2.062 20 5 BEBDRO CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC001328083232 972869151 /nfs/dbraw/zinc/86/91/51/972869151.db2.gz APFKGXQTUDJILV-MRVPVSSYSA-N 1 0 224.260 2.274 20 5 BEBDRO Cc1ccc(CO[C@@H](C)C[N+](C)(C)C)nc1 ZINC001223243608 972895030 /nfs/dbraw/zinc/89/50/30/972895030.db2.gz JVLYGQSMSKPQSE-LBPRGKRZSA-N 1 0 223.340 2.001 20 5 BEBDRO Cc1cnc(CO[C@H](C)C[N+](C)(C)C)s1 ZINC001223861756 973307441 /nfs/dbraw/zinc/30/74/41/973307441.db2.gz LRHRWKCKDDUJKN-SECBINFHSA-N 1 0 229.369 2.063 20 5 BEBDRO C[C@H]1CCC[C@H]1OCCC[N+](C)(C)C ZINC001224619414 973802012 /nfs/dbraw/zinc/80/20/12/973802012.db2.gz NMZFFDLOSMORJX-NWDGAFQWSA-N 1 0 200.346 2.288 20 5 BEBDRO COC(C)(C)C[C@H](C)OCCC[N+](C)(C)C ZINC001224620768 973802660 /nfs/dbraw/zinc/80/26/60/973802660.db2.gz DLYMGHUARNUYDE-LBPRGKRZSA-N 1 0 232.388 2.303 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)c1ccncc1 ZINC001224619848 973802979 /nfs/dbraw/zinc/80/29/79/973802979.db2.gz SMMQSBUNZSFCDY-LBPRGKRZSA-N 1 0 223.340 2.256 20 5 BEBDRO C[C@@H]([NH2+][C@H](C)[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC001329649243 973868677 /nfs/dbraw/zinc/86/86/77/973868677.db2.gz ZNXMGBIGQXQKRX-BBBLOLIVSA-N 1 0 238.287 2.015 20 5 BEBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001332835189 1169969067 /nfs/dbraw/zinc/96/90/67/1169969067.db2.gz HCGLTTSJCPYWLH-NSHDSACASA-N 1 0 226.251 2.143 20 5 BEBDRO Cc1ccc([C@H](C)OCC[N+](C)(C)C)cn1 ZINC001224776792 973940509 /nfs/dbraw/zinc/94/05/09/973940509.db2.gz ZXTYYYGQYKIRHD-LBPRGKRZSA-N 1 0 223.340 2.174 20 5 BEBDRO COC1CCC(CO[C@H](C)C[N+](C)(C)C)CC1 ZINC001224845150 974024136 /nfs/dbraw/zinc/02/41/36/974024136.db2.gz CZMFBLXPXGZRJA-IYXRBSQSSA-N 1 0 244.399 2.303 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1F ZINC001225199853 974218024 /nfs/dbraw/zinc/21/80/24/974218024.db2.gz AZXIQQAQORCUDH-JTQLQIEISA-N 1 0 212.288 2.299 20 5 BEBDRO COc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001225215939 974242444 /nfs/dbraw/zinc/24/24/44/974242444.db2.gz SQOZLXQSJXUKOA-LLVKDONJSA-N 1 0 224.324 2.169 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(N(C)C)c1 ZINC001225235492 974284725 /nfs/dbraw/zinc/28/47/25/974284725.db2.gz TYSQAOSFIMKUOZ-LBPRGKRZSA-N 1 0 237.367 2.226 20 5 BEBDRO Cc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225241972 974297709 /nfs/dbraw/zinc/29/77/09/974297709.db2.gz NRWFNHAIWOHMPN-GFCCVEGCSA-N 1 0 208.325 2.469 20 5 BEBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001225260054 974323990 /nfs/dbraw/zinc/32/39/90/974323990.db2.gz IZQJFLLSNMPCDV-GFCCVEGCSA-N 1 0 208.325 2.469 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cncc(Cl)c1 ZINC001225288933 974357209 /nfs/dbraw/zinc/35/72/09/974357209.db2.gz DSBKWSJVKQQKKQ-SECBINFHSA-N 1 0 229.731 2.209 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1 ZINC001225598290 974582223 /nfs/dbraw/zinc/58/22/23/974582223.db2.gz MODICYVXHRIQBW-SECBINFHSA-N 1 0 229.731 2.209 20 5 BEBDRO CC[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763676 975064172 /nfs/dbraw/zinc/06/41/72/975064172.db2.gz YYHNGNUSHGMNKA-GFCCVEGCSA-N 1 0 236.271 2.068 20 5 BEBDRO Cc1cc(O[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001226840533 975118579 /nfs/dbraw/zinc/11/85/79/975118579.db2.gz HEKCRPGNOARFIK-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2nccnc21 ZINC001226855702 975124464 /nfs/dbraw/zinc/12/44/64/975124464.db2.gz VXEZTKAJANLHQZ-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]cnc2c1 ZINC001226930253 975159807 /nfs/dbraw/zinc/15/98/07/975159807.db2.gz QQUTWZCLSDMIGG-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCF ZINC001173238448 975161198 /nfs/dbraw/zinc/16/11/98/975161198.db2.gz SRESRRQYXFTXSI-JTQLQIEISA-N 1 0 240.278 2.427 20 5 BEBDRO Cc1cccc2[nH]c(O[C@H](C)C[N+](C)(C)C)nc21 ZINC001227267504 975345189 /nfs/dbraw/zinc/34/51/89/975345189.db2.gz DGQUCFROKARRRA-LLVKDONJSA-N 1 0 248.350 2.345 20 5 BEBDRO CC[C@](C)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001333174801 975528878 /nfs/dbraw/zinc/52/88/78/975528878.db2.gz MYLRAHIMRJWEJJ-LBPRGKRZSA-N 1 0 222.288 2.178 20 5 BEBDRO Cc1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001228067925 975888282 /nfs/dbraw/zinc/88/82/82/975888282.db2.gz CPMKKXWZHBQHNQ-LLVKDONJSA-O 1 0 224.324 2.174 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2ccccc21 ZINC001228524762 976280296 /nfs/dbraw/zinc/28/02/96/976280296.db2.gz RWPWBWDKULDIFS-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2ccccc21 ZINC001228524763 976282838 /nfs/dbraw/zinc/28/28/38/976282838.db2.gz RWPWBWDKULDIFS-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccccc2n1C ZINC001228656853 976411759 /nfs/dbraw/zinc/41/17/59/976411759.db2.gz BXRVFBFQWKHSTB-LLVKDONJSA-N 1 0 248.350 2.047 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]ccc2n1 ZINC001228985819 976610405 /nfs/dbraw/zinc/61/04/05/976610405.db2.gz MTVPZWMAHPPDHI-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001335471010 977079472 /nfs/dbraw/zinc/07/94/72/977079472.db2.gz XCPKAMAPOIEJSH-XKGSQUFQSA-N 1 0 226.320 2.068 20 5 BEBDRO CCc1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001230290702 977164230 /nfs/dbraw/zinc/16/42/30/977164230.db2.gz KXOIVVFYVNFAIP-LLVKDONJSA-O 1 0 238.351 2.428 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nn(C)c2ccccc21 ZINC001230625918 977283466 /nfs/dbraw/zinc/28/34/66/977283466.db2.gz XQNYBAFJJJTYHT-LLVKDONJSA-N 1 0 248.350 2.047 20 5 BEBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)n1 ZINC001230708147 977303346 /nfs/dbraw/zinc/30/33/46/977303346.db2.gz WLIUIHLFUITCJA-JTQLQIEISA-N 1 0 227.303 2.003 20 5 BEBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc2c[nH]nc21 ZINC001230910166 977377335 /nfs/dbraw/zinc/37/73/35/977377335.db2.gz OKZQSUSOOQKBJO-LLVKDONJSA-N 1 0 248.350 2.345 20 5 BEBDRO COc1ccc(Nc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC001176359722 978048902 /nfs/dbraw/zinc/04/89/02/978048902.db2.gz LOCUERNWCQTHSZ-UHFFFAOYSA-N 1 0 248.242 2.081 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc(F)c1 ZINC001233816332 978704701 /nfs/dbraw/zinc/70/47/01/978704701.db2.gz BLGDHKHKZWJXOT-VIFPVBQESA-O 1 0 228.287 2.005 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cnn(C)c2c1 ZINC001234523225 978853303 /nfs/dbraw/zinc/85/33/03/978853303.db2.gz FDALTFBSLAIPFB-NSHDSACASA-N 1 0 248.350 2.047 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc2[nH]ccc2cn1 ZINC001234525704 978854956 /nfs/dbraw/zinc/85/49/56/978854956.db2.gz LFUQYAJJVNYEFZ-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC001340731929 979081038 /nfs/dbraw/zinc/08/10/38/979081038.db2.gz QPTAVHATIXPSCN-ZDUSSCGKSA-N 1 0 234.299 2.394 20 5 BEBDRO Cc1[nH+]cn(C)c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199819196 983018356 /nfs/dbraw/zinc/01/83/56/983018356.db2.gz LZNRTSSUJKLXMY-UHFFFAOYSA-N 1 0 248.242 2.086 20 5 BEBDRO O=[N+]([O-])c1cccc(CCNc2cc[nH+]cc2)c1 ZINC001336910596 995120513 /nfs/dbraw/zinc/12/05/13/995120513.db2.gz ZLQPJVMWRDQEHG-UHFFFAOYSA-N 1 0 243.266 2.066 20 5 BEBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000021507154 1170167563 /nfs/dbraw/zinc/16/75/63/1170167563.db2.gz KEKAKWCALVYDJJ-ZDUSSCGKSA-N 1 0 247.298 2.101 20 5 BEBDRO Cc1cc(NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110798809 178162859 /nfs/dbraw/zinc/16/28/59/178162859.db2.gz JWNSIUNHSJZXRU-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000044503001 178166513 /nfs/dbraw/zinc/16/65/13/178166513.db2.gz FSSIQUFQFJBNRG-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326475 178272762 /nfs/dbraw/zinc/27/27/62/178272762.db2.gz YCHXUXGEBNDIRM-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCSC2)cs1 ZINC000230704220 346911900 /nfs/dbraw/zinc/91/19/00/346911900.db2.gz AESISIHKGUTMMU-QMMMGPOBSA-N 1 0 244.341 2.251 20 5 BEBDRO CC[NH+](CC)CCNc1ccccc1[N+](=O)[O-] ZINC000004982910 344884605 /nfs/dbraw/zinc/88/46/05/344884605.db2.gz PTAKFIZKSZZSBU-UHFFFAOYSA-N 1 0 237.303 2.349 20 5 BEBDRO Cc1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000044503114 345099669 /nfs/dbraw/zinc/09/96/69/345099669.db2.gz HTHMHDGKVFFSDZ-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO CC[NH+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000118748073 345678990 /nfs/dbraw/zinc/67/89/90/345678990.db2.gz ZZLYWHZNBDCOFU-UHFFFAOYSA-N 1 0 208.261 2.437 20 5 BEBDRO C[C@@]1(CNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000158891651 345768717 /nfs/dbraw/zinc/76/87/17/345768717.db2.gz KPOFBJHETZMIQB-CYBMUJFWSA-N 1 0 249.314 2.396 20 5 BEBDRO Cc1cccc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000235121540 179152757 /nfs/dbraw/zinc/15/27/57/179152757.db2.gz JBECHNVIXRGZPQ-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH3+])CCC1 ZINC000235778607 179207002 /nfs/dbraw/zinc/20/70/02/179207002.db2.gz FJVJBKHGWXHANG-UHFFFAOYSA-N 1 0 235.287 2.197 20 5 BEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccccc1[N+](=O)[O-] ZINC000590568696 347470229 /nfs/dbraw/zinc/47/02/29/347470229.db2.gz JIHMHZZWGKCCBM-MNOVXSKESA-N 1 0 249.314 2.124 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000594983692 348164950 /nfs/dbraw/zinc/16/49/50/348164950.db2.gz BVZXNKQVFXDELB-PTEHBNRSSA-N 1 0 232.283 2.483 20 5 BEBDRO Cc1noc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595342373 348233288 /nfs/dbraw/zinc/23/32/88/348233288.db2.gz CARWLUJWZXIHNZ-VXNVDRBHSA-N 1 0 239.275 2.122 20 5 BEBDRO Cc1noc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595342370 348233391 /nfs/dbraw/zinc/23/33/91/348233391.db2.gz CARWLUJWZXIHNZ-APPZFPTMSA-N 1 0 239.275 2.122 20 5 BEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595806752 348348324 /nfs/dbraw/zinc/34/83/24/348348324.db2.gz FYIPPRBVUYMWRU-VXGBXAGGSA-N 1 0 232.283 2.437 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808330 348349001 /nfs/dbraw/zinc/34/90/01/348349001.db2.gz CSLJSNPBMVMQHQ-JQWIXIFHSA-N 1 0 232.283 2.437 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595810020 348349787 /nfs/dbraw/zinc/34/97/87/348349787.db2.gz VRVYGQNRICPYIY-RYUDHWBXSA-N 1 0 232.283 2.437 20 5 BEBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595766963 348334932 /nfs/dbraw/zinc/33/49/32/348334932.db2.gz SSNQAKPFDFXORJ-SECBINFHSA-N 1 0 239.275 2.169 20 5 BEBDRO Cc1cc(NCCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596052012 348433582 /nfs/dbraw/zinc/43/35/82/348433582.db2.gz XQUWZTIFKNCGOC-UHFFFAOYSA-N 1 0 243.332 2.328 20 5 BEBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596075258 348438888 /nfs/dbraw/zinc/43/88/88/348438888.db2.gz KLOGKUGUZYHABG-SSDOTTSWSA-N 1 0 243.332 2.327 20 5 BEBDRO C[C@H]1C[C@@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354434 349164863 /nfs/dbraw/zinc/16/48/63/349164863.db2.gz VPVXOSWSMLFGAV-VHSXEESVSA-N 1 0 247.298 2.004 20 5 BEBDRO C[NH2+]CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420184969 192172014 /nfs/dbraw/zinc/17/20/14/192172014.db2.gz OPVBRNCWZZORLZ-UHFFFAOYSA-N 1 0 243.694 2.270 20 5 BEBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343569857 350976217 /nfs/dbraw/zinc/97/62/17/350976217.db2.gz YTPRUKHHKREOLF-ZWNOBZJWSA-N 1 0 249.314 2.489 20 5 BEBDRO CC(C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282381826 188032103 /nfs/dbraw/zinc/03/21/03/188032103.db2.gz GCQSFBZATWWHHX-UHFFFAOYSA-N 1 0 222.288 2.478 20 5 BEBDRO CC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722077 188286309 /nfs/dbraw/zinc/28/63/09/188286309.db2.gz MFJZVZAPGHGEMR-SECBINFHSA-N 1 0 238.287 2.492 20 5 BEBDRO Cc1cc(NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000168409630 134198302 /nfs/dbraw/zinc/19/83/02/134198302.db2.gz CECZMYQJLRUSTJ-UHFFFAOYSA-N 1 0 223.276 2.052 20 5 BEBDRO CC(C)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000138469543 358904645 /nfs/dbraw/zinc/90/46/45/358904645.db2.gz HOUVQAHUZOIJGO-UHFFFAOYSA-N 1 0 236.271 2.198 20 5 BEBDRO Cc1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000054128715 359399249 /nfs/dbraw/zinc/39/92/49/359399249.db2.gz YUDGKOOVRUSIKJ-UHFFFAOYSA-N 1 0 249.314 2.411 20 5 BEBDRO C[C@@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795060 360088604 /nfs/dbraw/zinc/08/86/04/360088604.db2.gz GWHFYDWMNAZFDJ-MNOVXSKESA-N 1 0 249.314 2.489 20 5 BEBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214212 201154532 /nfs/dbraw/zinc/15/45/32/201154532.db2.gz XRQLUUJWRJAGDU-UHFFFAOYSA-N 1 0 238.287 2.445 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC2)c1 ZINC000443884708 193032388 /nfs/dbraw/zinc/03/23/88/193032388.db2.gz YPEGKURRUSJLKN-UHFFFAOYSA-N 1 0 235.287 2.021 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCC2)c1 ZINC000094659644 369867393 /nfs/dbraw/zinc/86/73/93/369867393.db2.gz YNNCUMFCLKHBSW-UHFFFAOYSA-N 1 0 249.314 2.411 20 5 BEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000309965968 370281336 /nfs/dbraw/zinc/28/13/36/370281336.db2.gz NLVQGQYCEFQSPA-UHFFFAOYSA-N 1 0 241.316 2.162 20 5 BEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000077194808 370399881 /nfs/dbraw/zinc/39/98/81/370399881.db2.gz XHBIAKINOZUPDK-UHFFFAOYSA-N 1 0 234.299 2.479 20 5 BEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000021504699 371436075 /nfs/dbraw/zinc/43/60/75/371436075.db2.gz JFGZKENWDBLWRE-LLVKDONJSA-N 1 0 249.314 2.491 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600189243 371650874 /nfs/dbraw/zinc/65/08/74/371650874.db2.gz DICJOBTYENUQTJ-TXEJJXNPSA-N 1 0 232.283 2.355 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCCC2)cc1 ZINC000029131362 371718076 /nfs/dbraw/zinc/71/80/76/371718076.db2.gz YFOCDNYNVHXLJE-UHFFFAOYSA-N 1 0 220.272 2.233 20 5 in-vivo BEBDRO CC(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506499 371815996 /nfs/dbraw/zinc/81/59/96/371815996.db2.gz YHDVZDHOGAADCS-UHFFFAOYSA-N 1 0 249.270 2.482 20 5 BEBDRO CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000123536336 169077571 /nfs/dbraw/zinc/07/75/71/169077571.db2.gz UYWNGSCIQFAEGQ-UHFFFAOYSA-N 1 0 222.288 2.479 20 5 BEBDRO C[C@@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000339494153 383988357 /nfs/dbraw/zinc/98/83/57/383988357.db2.gz JYTZLDYIPLXBPK-SECBINFHSA-N 1 0 226.251 2.433 20 5 BEBDRO C[C@@H](F)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000339482853 383988495 /nfs/dbraw/zinc/98/84/95/383988495.db2.gz JWYZGTOMPCUBNH-SECBINFHSA-N 1 0 226.251 2.433 20 5 BEBDRO CC(C)[C@@H]1CCCCC[N@@H+]1CC[N+](=O)[O-] ZINC001645055067 1172631188 /nfs/dbraw/zinc/63/11/88/1172631188.db2.gz RVFKVRNPSOBBKD-NSHDSACASA-N 1 0 214.309 2.164 20 5 BEBDRO CS[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000128000347 384075524 /nfs/dbraw/zinc/07/55/24/384075524.db2.gz BZZYBSYEMOJVEC-SECBINFHSA-N 1 0 240.328 2.436 20 5 BEBDRO COCC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000082367510 384211663 /nfs/dbraw/zinc/21/16/63/384211663.db2.gz JUUZHMMVHPOLRG-QMMMGPOBSA-N 1 0 244.316 2.171 20 5 BEBDRO CO[C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000336665803 384250604 /nfs/dbraw/zinc/25/06/04/384250604.db2.gz ZEHNOWBXVRBVFV-JTQLQIEISA-N 1 0 238.287 2.109 20 5 BEBDRO CC(C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285217878 384423307 /nfs/dbraw/zinc/42/33/07/384423307.db2.gz FAPHTSDAAZQLSV-UHFFFAOYSA-N 1 0 222.288 2.478 20 5 BEBDRO CCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020546609 384888382 /nfs/dbraw/zinc/88/83/82/384888382.db2.gz QEALOJKBZVVKCQ-UHFFFAOYSA-N 1 0 238.287 2.493 20 5 BEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000189113062 385099455 /nfs/dbraw/zinc/09/94/55/385099455.db2.gz BYDQLAPBHRYCCE-YUMQZZPRSA-N 1 0 244.316 2.169 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)c1 ZINC000397977203 385731526 /nfs/dbraw/zinc/73/15/26/385731526.db2.gz PMQZLKWDJCBKFY-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO C[C@@H](C[NH+](C)C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000343787200 385731891 /nfs/dbraw/zinc/73/18/91/385731891.db2.gz CXAXCYDBLPAYTM-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397903486 385726280 /nfs/dbraw/zinc/72/62/80/385726280.db2.gz YLBDYHXVWGPOJU-ZSBIGDGJSA-N 1 0 232.283 2.483 20 5 BEBDRO C[C@@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000342121696 385863672 /nfs/dbraw/zinc/86/36/72/385863672.db2.gz IVBIWLYKRAQZQB-SNVBAGLBSA-N 1 0 249.314 2.127 20 5 BEBDRO CO[C@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182016789 386020930 /nfs/dbraw/zinc/02/09/30/386020930.db2.gz GPQQGMNUVLLJGK-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO CO[C@@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182016774 386021313 /nfs/dbraw/zinc/02/13/13/386021313.db2.gz GPQQGMNUVLLJGK-JTQLQIEISA-N 1 0 238.287 2.062 20 5 BEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000163251208 386144034 /nfs/dbraw/zinc/14/40/34/386144034.db2.gz WSCCFEFJXKNLBW-VHSXEESVSA-N 1 0 238.287 2.108 20 5 BEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000035136382 386424927 /nfs/dbraw/zinc/42/49/27/386424927.db2.gz INFDVIPEMLJTSF-VIFPVBQESA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H](C[NH+](C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000160232313 386467063 /nfs/dbraw/zinc/46/70/63/386467063.db2.gz ULHJQJKYCLIDFF-MRVPVSSYSA-N 1 0 241.266 2.096 20 5 BEBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000291992724 386543292 /nfs/dbraw/zinc/54/32/92/386543292.db2.gz XZQQORLOCGFTIO-JTQLQIEISA-N 1 0 237.303 2.204 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCCF ZINC000336667836 386785318 /nfs/dbraw/zinc/78/53/18/386785318.db2.gz QMJGDOPYPSRQBR-UHFFFAOYSA-N 1 0 226.251 2.434 20 5 BEBDRO CC[N@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000054128034 387346703 /nfs/dbraw/zinc/34/67/03/387346703.db2.gz KFXSYCMUTHHGCG-UHFFFAOYSA-N 1 0 241.266 2.098 20 5 BEBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000054128150 387347639 /nfs/dbraw/zinc/34/76/39/387347639.db2.gz VEBOHQAGHCIPHH-UHFFFAOYSA-N 1 0 237.303 2.347 20 5 BEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130038350 387432838 /nfs/dbraw/zinc/43/28/38/387432838.db2.gz XQYBSTIZULXJAM-VHSXEESVSA-N 1 0 238.287 2.108 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000152868667 388373129 /nfs/dbraw/zinc/37/31/29/388373129.db2.gz IZVCUBFWNHCGAG-UPJWGTAASA-N 1 0 248.282 2.004 20 5 BEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163248426 388374350 /nfs/dbraw/zinc/37/43/50/388374350.db2.gz MBBFYFZPWXSQOM-NXEZZACHSA-N 1 0 238.287 2.108 20 5 BEBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986181 388375545 /nfs/dbraw/zinc/37/55/45/388375545.db2.gz OLFNUDSMCRXGOJ-UWVGGRQHSA-N 1 0 238.287 2.280 20 5 BEBDRO COC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000133011595 388375580 /nfs/dbraw/zinc/37/55/80/388375580.db2.gz OZTRTGYDPLGKQX-UHFFFAOYSA-N 1 0 244.316 2.171 20 5 BEBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000549641659 388396432 /nfs/dbraw/zinc/39/64/32/388396432.db2.gz VRHSLEZVOXNODS-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO CC[C@H]1C[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000549641660 388396823 /nfs/dbraw/zinc/39/68/23/388396823.db2.gz VRHSLEZVOXNODS-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000066996049 388691346 /nfs/dbraw/zinc/69/13/46/388691346.db2.gz SXHKXHOAFBYYKT-UHFFFAOYSA-N 1 0 238.287 2.109 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC23CC3)cs1 ZINC000424184094 388695158 /nfs/dbraw/zinc/69/51/58/388695158.db2.gz LEHNHKCEMQHEAC-QMMMGPOBSA-N 1 0 224.285 2.298 20 5 BEBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000065684168 388697081 /nfs/dbraw/zinc/69/70/81/388697081.db2.gz FWYRKLVNWYDPLY-UHFFFAOYSA-N 1 0 208.261 2.437 20 5 BEBDRO C[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301977255 388724677 /nfs/dbraw/zinc/72/46/77/388724677.db2.gz DIPCTUMVXKYBOQ-UHFFFAOYSA-N 1 0 241.316 2.162 20 5 BEBDRO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000096470241 388820703 /nfs/dbraw/zinc/82/07/03/388820703.db2.gz VATFBNMXRMZDNU-UHFFFAOYSA-N 1 0 243.694 2.397 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094663453 132239476 /nfs/dbraw/zinc/23/94/76/132239476.db2.gz DKZFSRWWQCNMGH-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO C[C@@H]1[C@H](C)N(c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356796653 132271815 /nfs/dbraw/zinc/27/18/15/132271815.db2.gz RDGCQBCZFGXMLC-MNOVXSKESA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH3+])C1 ZINC000217506937 134248956 /nfs/dbraw/zinc/24/89/56/134248956.db2.gz ACGGEVIZFILDLD-GHMZBOCLSA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@H]([NH3+])[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261578621 135220058 /nfs/dbraw/zinc/22/00/58/135220058.db2.gz LUXDROWWDMUEKH-BQBZGAKWSA-N 1 0 243.694 2.396 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H](C)[NH3+] ZINC000261594954 135235049 /nfs/dbraw/zinc/23/50/49/135235049.db2.gz XVWDGHYCYBDUIS-DTWKUNHWSA-N 1 0 223.276 2.051 20 5 BEBDRO CC(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000001666771 167005079 /nfs/dbraw/zinc/00/50/79/167005079.db2.gz RQJBIAOYTXZLRN-UHFFFAOYSA-N 1 0 222.288 2.383 20 5 BEBDRO CC(C)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079322 167005377 /nfs/dbraw/zinc/00/53/77/167005377.db2.gz VUBAWKFLANUEBT-UHFFFAOYSA-N 1 0 238.287 2.219 20 5 BEBDRO CC[N@@H+]1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000090459506 170014514 /nfs/dbraw/zinc/01/45/14/170014514.db2.gz YYINYPJMPZOOKZ-SNVBAGLBSA-N 1 0 236.271 2.068 20 5 BEBDRO CC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020017168 170754398 /nfs/dbraw/zinc/75/43/98/170754398.db2.gz DPWGDJVGRUWDLM-SECBINFHSA-N 1 0 238.287 2.492 20 5 BEBDRO CC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722078 171343409 /nfs/dbraw/zinc/34/34/09/171343409.db2.gz MFJZVZAPGHGEMR-VIFPVBQESA-N 1 0 238.287 2.492 20 5 BEBDRO C[NH2+]C(C)(C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000269923059 173319718 /nfs/dbraw/zinc/31/97/18/173319718.db2.gz BATQZXPNCJYUJQ-UHFFFAOYSA-N 1 0 237.303 2.313 20 5 BEBDRO COCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044349888 174199549 /nfs/dbraw/zinc/19/95/49/174199549.db2.gz OBJWUHRBKFTDQG-UHFFFAOYSA-N 1 0 238.287 2.111 20 5 BEBDRO COCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000044658109 174202643 /nfs/dbraw/zinc/20/26/43/174202643.db2.gz GNFRKNGLHJRXOO-UHFFFAOYSA-N 1 0 244.316 2.173 20 5 BEBDRO COCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266624970 174284121 /nfs/dbraw/zinc/28/41/21/174284121.db2.gz HCLSVKSOUSHOLL-SNVBAGLBSA-N 1 0 238.287 2.234 20 5 BEBDRO COCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085603 174337730 /nfs/dbraw/zinc/33/77/30/174337730.db2.gz LIHLSJBCKNHCNF-JTQLQIEISA-N 1 0 238.287 2.200 20 5 BEBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000293525753 176294189 /nfs/dbraw/zinc/29/41/89/176294189.db2.gz WLPWHAUABDDJLV-GHMZBOCLSA-N 1 0 234.299 2.478 20 5 BEBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263785278 177165495 /nfs/dbraw/zinc/16/54/95/177165495.db2.gz ZQYMIIAQSSPVEK-JTQLQIEISA-N 1 0 220.272 2.437 20 5 BEBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293405622 177265867 /nfs/dbraw/zinc/26/58/67/177265867.db2.gz MAGCNCLIQVJUFS-UWVGGRQHSA-N 1 0 220.272 2.435 20 5 BEBDRO C[C@H]1C[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000052274890 177349863 /nfs/dbraw/zinc/34/98/63/177349863.db2.gz QTNSGVYJZXCDOS-XPUUQOCRSA-N 1 0 212.274 2.154 20 5 BEBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000229595568 177395462 /nfs/dbraw/zinc/39/54/62/177395462.db2.gz XDXGLHHMCIKQOG-ZJUUUORDSA-N 1 0 235.287 2.147 20 5 BEBDRO CC[C@@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337324257 490329711 /nfs/dbraw/zinc/32/97/11/490329711.db2.gz UFGFPUSSIGGEEV-SECBINFHSA-N 1 0 235.287 2.146 20 5 BEBDRO C[NH2+][C@@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261582385 536345216 /nfs/dbraw/zinc/34/52/16/536345216.db2.gz OICUTZHDGRPMFU-ZETCQYMHSA-N 1 0 243.694 2.268 20 5 BEBDRO C[NH2+]C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000040601892 536465472 /nfs/dbraw/zinc/46/54/72/536465472.db2.gz AYBSAHIGJYOKSO-LLVKDONJSA-N 1 0 249.314 2.031 20 5 BEBDRO C[NH2+][C@@H]1CCCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094663275 536365490 /nfs/dbraw/zinc/36/54/90/536365490.db2.gz PGVGMANGZQBDHC-LLVKDONJSA-N 1 0 249.314 2.091 20 5 BEBDRO C[N@H+](CCCCc1ccccc1)CC[N+](=O)[O-] ZINC000791052757 583384721 /nfs/dbraw/zinc/38/47/21/583384721.db2.gz BWQHPSJGVYUMAB-UHFFFAOYSA-N 1 0 236.315 2.218 20 5 BEBDRO C/C=C\C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538314 588963783 /nfs/dbraw/zinc/96/37/83/588963783.db2.gz TVVCQRCILLEMOI-TYRPZCRBSA-N 1 0 235.287 2.404 20 5 BEBDRO CC(C)c1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899859683 584242819 /nfs/dbraw/zinc/24/28/19/584242819.db2.gz MIAYJRGSPKGXCQ-UHFFFAOYSA-N 1 0 236.315 2.219 20 5 BEBDRO C[C@@H](Cc1ccccc1Cl)[NH2+]CC[N+](=O)[O-] ZINC000899870091 584244734 /nfs/dbraw/zinc/24/47/34/584244734.db2.gz DEMNKTYRIHMIAA-VIFPVBQESA-N 1 0 242.706 2.137 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000899864690 584244744 /nfs/dbraw/zinc/24/47/44/584244744.db2.gz LKOMTMPWTVUEED-SDDRHHMPSA-N 1 0 226.320 2.212 20 5 BEBDRO Cc1c([C@@H](C)NCC2([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000902417552 584591258 /nfs/dbraw/zinc/59/12/58/584591258.db2.gz SQXXJKIRBPKEDR-SNVBAGLBSA-N 1 0 249.314 2.045 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000787720733 585914469 /nfs/dbraw/zinc/91/44/69/585914469.db2.gz ZWFGAHBZCSPHGM-AWEZNQCLSA-N 1 0 248.326 2.360 20 5 BEBDRO C[NH+](C)CCS/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789930892 585954199 /nfs/dbraw/zinc/95/41/99/585954199.db2.gz WJKUQAPJNWEWSR-ALCCZGGFSA-N 1 0 242.300 2.453 20 5 BEBDRO CN(CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791052864 585972622 /nfs/dbraw/zinc/97/26/22/585972622.db2.gz GEWIHEYHBZXNJE-UHFFFAOYSA-N 1 0 228.679 2.049 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])Cc1ccccc1C ZINC000791054828 585973040 /nfs/dbraw/zinc/97/30/40/585973040.db2.gz YVXMRKNDDZBYDW-UHFFFAOYSA-N 1 0 222.288 2.094 20 5 BEBDRO Cc1noc(C[NH2+][C@H]2CCC2(C)C)c1[N+](=O)[O-] ZINC000852125516 588665602 /nfs/dbraw/zinc/66/56/02/588665602.db2.gz SFHIMOWPAPPSFX-VIFPVBQESA-N 1 0 239.275 2.169 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880288710 590984745 /nfs/dbraw/zinc/98/47/45/590984745.db2.gz DRLLRTZTMRGFEU-SNVBAGLBSA-N 1 0 238.262 2.386 20 5 BEBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885942995 592111484 /nfs/dbraw/zinc/11/14/84/592111484.db2.gz VKNBNCZAYQPULD-VIFPVBQESA-N 1 0 235.287 2.220 20 5 BEBDRO CC(C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885966811 592118181 /nfs/dbraw/zinc/11/81/81/592118181.db2.gz DRLZZQYTDXOFER-UHFFFAOYSA-N 1 0 223.276 2.078 20 5 BEBDRO CC[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885984146 592121876 /nfs/dbraw/zinc/12/18/76/592121876.db2.gz YJAFHRNYWGUOKC-NSHDSACASA-N 1 0 235.287 2.364 20 5 BEBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886028609 592135515 /nfs/dbraw/zinc/13/55/15/592135515.db2.gz TZHVIKXRKZQRDQ-AOOOYVTPSA-N 1 0 235.287 2.078 20 5 BEBDRO CC[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038447 592137632 /nfs/dbraw/zinc/13/76/32/592137632.db2.gz VSDMTZMGYJBCOT-JTQLQIEISA-N 1 0 235.287 2.222 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000886097934 592147458 /nfs/dbraw/zinc/14/74/58/592147458.db2.gz HACYOFQUCNQBPB-LLVKDONJSA-N 1 0 247.298 2.222 20 5 BEBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886169832 592168645 /nfs/dbraw/zinc/16/86/45/592168645.db2.gz JPBIENYNCAIGIQ-GXSJLCMTSA-N 1 0 235.287 2.268 20 5 BEBDRO CC1(C)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886229507 592181359 /nfs/dbraw/zinc/18/13/59/592181359.db2.gz QMGWOVJYUPNDCR-JTQLQIEISA-N 1 0 235.287 2.268 20 5 BEBDRO C[NH2+]CCCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000309322079 632008715 /nfs/dbraw/zinc/00/87/15/632008715.db2.gz POWNLUXWEXYQAE-UHFFFAOYSA-N 1 0 244.678 2.237 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000309383816 632023269 /nfs/dbraw/zinc/02/32/69/632023269.db2.gz DSOOHGMIUVMWRV-MNOVXSKESA-N 1 0 222.288 2.045 20 5 BEBDRO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(C)C ZINC000067366693 636002559 /nfs/dbraw/zinc/00/25/59/636002559.db2.gz CTKMXRYDRYGNBC-SNVBAGLBSA-N 1 0 240.307 2.115 20 5 BEBDRO Cc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053711819 634329317 /nfs/dbraw/zinc/32/93/17/634329317.db2.gz WTGUIBCMMRLTAI-PHIMTYICSA-N 1 0 249.314 2.090 20 5 BEBDRO CCC[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905094766 637632147 /nfs/dbraw/zinc/63/21/47/637632147.db2.gz BCHFHEOUEFFLOV-CYBMUJFWSA-N 1 0 236.315 2.264 20 5 BEBDRO C[C@H](CC[NH2+]CC[N+](=O)[O-])CC(C)(C)C ZINC000905230849 637690433 /nfs/dbraw/zinc/69/04/33/637690433.db2.gz RTQNMCHQYDJXJB-SNVBAGLBSA-N 1 0 216.325 2.315 20 5 BEBDRO Cc1oc2ccccc2c1CC[NH2+]CC[N+](=O)[O-] ZINC000905216691 637699126 /nfs/dbraw/zinc/69/91/26/637699126.db2.gz TXPKOWYSUVQYKF-UHFFFAOYSA-N 1 0 248.282 2.150 20 5 BEBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905216120 637700446 /nfs/dbraw/zinc/70/04/46/637700446.db2.gz QHZGFNSJGNYUAM-NEPJUHHUSA-N 1 0 228.336 2.458 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000905250482 637710786 /nfs/dbraw/zinc/71/07/86/637710786.db2.gz ZZCZGFKLOIBOBX-GFCCVEGCSA-N 1 0 238.262 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CC(C1CCC1)C1CCC1 ZINC000905389626 637786596 /nfs/dbraw/zinc/78/65/96/637786596.db2.gz LNEWQENOMLCUHD-UHFFFAOYSA-N 1 0 226.320 2.069 20 5 BEBDRO CCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000906527569 638191084 /nfs/dbraw/zinc/19/10/84/638191084.db2.gz KYHCMUTWVUDLSF-UHFFFAOYSA-N 1 0 248.286 2.361 20 5 BEBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000930235397 639645180 /nfs/dbraw/zinc/64/51/80/639645180.db2.gz BHLAEHJNSBTSCU-NSHDSACASA-N 1 0 214.309 2.212 20 5 BEBDRO C[C@H](C1CCCCC1)[N@H+](C)CC[N+](=O)[O-] ZINC000930349897 639721423 /nfs/dbraw/zinc/72/14/23/639721423.db2.gz CNKREOHPJXVBRN-SNVBAGLBSA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000930594455 639815901 /nfs/dbraw/zinc/81/59/01/639815901.db2.gz MHEVIHRRRZIONN-JTQLQIEISA-N 1 0 234.299 2.491 20 5 BEBDRO Cc1ccc(CC(C)(C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930742813 639890826 /nfs/dbraw/zinc/89/08/26/639890826.db2.gz KVLBUUBKCIWOID-UHFFFAOYSA-N 1 0 236.315 2.182 20 5 BEBDRO Cc1ccc(N[C@@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000229608437 640968717 /nfs/dbraw/zinc/96/87/17/640968717.db2.gz KCFFFUUTGVUPHG-WDEREUQCSA-N 1 0 249.314 2.456 20 5 BEBDRO CC[C@@H](C)C[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000174946962 642639283 /nfs/dbraw/zinc/63/92/83/642639283.db2.gz RCPXIDDLCJIUCL-SNVBAGLBSA-N 1 0 240.307 2.117 20 5 BEBDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1[N+](=O)[O-] ZINC000098005681 642654421 /nfs/dbraw/zinc/65/44/21/642654421.db2.gz RPDUIOABVBVSFC-VHSXEESVSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000094663393 643792048 /nfs/dbraw/zinc/79/20/48/643792048.db2.gz MSYPLJNWONOBII-WDEREUQCSA-N 1 0 249.314 2.443 20 5 BEBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000814938861 644947717 /nfs/dbraw/zinc/94/77/17/644947717.db2.gz WYKXOKVVPSJFAZ-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO CC(C)[N@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000929376979 646103844 /nfs/dbraw/zinc/10/38/44/646103844.db2.gz DTPYBGXBBZADAJ-UHFFFAOYSA-N 1 0 240.278 2.313 20 5 BEBDRO Cc1ccccc1[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929458732 646126659 /nfs/dbraw/zinc/12/66/59/646126659.db2.gz QVZHSEMOBDDTRI-GFCCVEGCSA-N 1 0 234.299 2.061 20 5 BEBDRO Cc1ccccc1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929592231 646187494 /nfs/dbraw/zinc/18/74/94/646187494.db2.gz AQFZXTMZHOHYKZ-UHFFFAOYSA-N 1 0 248.326 2.451 20 5 BEBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000929653457 646222045 /nfs/dbraw/zinc/22/20/45/646222045.db2.gz BXSZJBYLAMOBFE-DGCLKSJQSA-N 1 0 234.299 2.141 20 5 BEBDRO CC1(C)c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000930182250 646482025 /nfs/dbraw/zinc/48/20/25/646482025.db2.gz NAONKPLWSXMZEX-UHFFFAOYSA-N 1 0 234.299 2.057 20 5 BEBDRO CCOc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930187235 646483700 /nfs/dbraw/zinc/48/37/00/646483700.db2.gz LIMQHRUOJBAWCN-SNVBAGLBSA-N 1 0 238.287 2.013 20 5 BEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712595125 712436303 /nfs/dbraw/zinc/43/63/03/712436303.db2.gz PCXOBUIPAKDCQU-GFCCVEGCSA-N 1 0 235.287 2.101 20 5 BEBDRO Cc1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000712609020 712437390 /nfs/dbraw/zinc/43/73/90/712437390.db2.gz VDZKHWGBRGWZGT-SNVBAGLBSA-N 1 0 235.287 2.019 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001168961579 969312089 /nfs/dbraw/zinc/31/20/89/969312089.db2.gz IXPYDAVOMZGLGU-DDHJBXDOSA-N 1 0 244.310 2.160 20 5 BEBDRO CC[N@H+](C(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009686 969333111 /nfs/dbraw/zinc/33/31/11/969333111.db2.gz XGRYNJGKBDVLLS-GHMZBOCLSA-N 1 0 214.309 2.162 20 5 BEBDRO C[N@H+](C1CC(F)(F)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009649 969333347 /nfs/dbraw/zinc/33/33/47/969333347.db2.gz WVHVEVVYIBVRJI-DTWKUNHWSA-N 1 0 248.273 2.161 20 5 BEBDRO CC(C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567931 969742088 /nfs/dbraw/zinc/74/20/88/969742088.db2.gz RATVPERNGDUFAC-LLVKDONJSA-N 1 0 220.272 2.060 20 5 BEBDRO CC(C)c1nccc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001233799557 1167720449 /nfs/dbraw/zinc/72/04/49/1167720449.db2.gz LGPIZVDGZYTFPU-NSHDSACASA-N 1 0 238.355 2.074 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1F ZINC001233915077 978727835 /nfs/dbraw/zinc/72/78/35/978727835.db2.gz HRLAINGKYKMBNG-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO CO[C@@H](COCC[N+](C)(C)C)c1ccccc1 ZINC001224771610 973939357 /nfs/dbraw/zinc/93/93/57/973939357.db2.gz PEUDHCXLXBURLQ-AWEZNQCLSA-N 1 0 238.351 2.097 20 5 BEBDRO CC1CCC(OCC[N+](C)(C)C)CC1 ZINC001224775772 973942238 /nfs/dbraw/zinc/94/22/38/973942238.db2.gz OMGFLORWAPCZHF-UHFFFAOYSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@@H](OCC[N+](C)(C)C)c1ccncc1F ZINC001224772574 973937946 /nfs/dbraw/zinc/93/79/46/973937946.db2.gz AMTPBERQNNPWEV-SNVBAGLBSA-N 1 0 227.303 2.005 20 5 BEBDRO C[C@@H](Cc1ccccc1)OCC[N+](C)(C)C ZINC001224776710 973943468 /nfs/dbraw/zinc/94/34/68/973943468.db2.gz YNOGAQYUJXUOPE-ZDUSSCGKSA-N 1 0 222.352 2.340 20 5 BEBDRO Cn1cc[nH+]c1Nc1cccc([N+](=O)[O-])c1F ZINC001210378977 957734823 /nfs/dbraw/zinc/73/48/23/957734823.db2.gz SOKDJIKFSGMHBX-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO C[N+](C)(C)CCCO[C@H]1CCc2cccnc21 ZINC001224624378 964814225 /nfs/dbraw/zinc/81/42/25/964814225.db2.gz VVSSUDBHPZEWMR-ZDUSSCGKSA-N 1 0 235.351 2.182 20 5 BEBDRO C[C@@H]1CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224776527 964939452 /nfs/dbraw/zinc/93/94/52/964939452.db2.gz XBYUGLNWAVBFRR-VXGBXAGGSA-N 1 0 200.346 2.288 20 5 BEBDRO Cc1cccc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001162557860 965049721 /nfs/dbraw/zinc/04/97/21/965049721.db2.gz MXYLHRXSORDTMH-GHMZBOCLSA-N 1 0 249.314 2.313 20 5 BEBDRO Cc1ccc(C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000035258324 965450746 /nfs/dbraw/zinc/45/07/46/965450746.db2.gz WFLMAYYSQDSZBC-UHFFFAOYSA-N 1 0 220.272 2.403 20 5 BEBDRO Cc1cc(Nc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001206140592 968081776 /nfs/dbraw/zinc/08/17/76/968081776.db2.gz ZCZPDFLMMKVETK-UHFFFAOYSA-N 1 0 229.239 2.464 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC001168956963 969306274 /nfs/dbraw/zinc/30/62/74/969306274.db2.gz DALISVGLZXVACV-DDHJBXDOSA-N 1 0 244.310 2.302 20 5 BEBDRO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956529 969306943 /nfs/dbraw/zinc/30/69/43/969306943.db2.gz BJJSIIPMWBKLBD-IRCOFANPSA-N 1 0 226.320 2.210 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168959960 969309637 /nfs/dbraw/zinc/30/96/37/969309637.db2.gz YHMHNBIGJWDDJB-GVXVVHGQSA-N 1 0 249.314 2.178 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168959957 969310195 /nfs/dbraw/zinc/31/01/95/969310195.db2.gz YHMHNBIGJWDDJB-DMDPSCGWSA-N 1 0 249.314 2.178 20 5 BEBDRO CC1CC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168961217 969312981 /nfs/dbraw/zinc/31/29/81/969312981.db2.gz IARULYZLYXGQJA-RSJDFQLWSA-N 1 0 226.320 2.068 20 5 BEBDRO CCC(CC)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964746 969317485 /nfs/dbraw/zinc/31/74/85/969317485.db2.gz VRECDGCJVYDAAX-NWDGAFQWSA-N 1 0 228.336 2.458 20 5 BEBDRO CCC(CC)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964745 969318285 /nfs/dbraw/zinc/31/82/85/969318285.db2.gz VRECDGCJVYDAAX-NEPJUHHUSA-N 1 0 228.336 2.458 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC23CC3)C1 ZINC001169005679 969330493 /nfs/dbraw/zinc/33/04/93/969330493.db2.gz CDVMNGRAXLJDNX-MNOVXSKESA-N 1 0 224.304 2.060 20 5 BEBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009811 969335174 /nfs/dbraw/zinc/33/51/74/969335174.db2.gz YHCLKYUSYLUGIC-GRYCIOLGSA-N 1 0 226.320 2.164 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC3)CC2)C1 ZINC001169011309 969337921 /nfs/dbraw/zinc/33/79/21/969337921.db2.gz JQFALRSZZPJINZ-RYUDHWBXSA-N 1 0 238.331 2.308 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](F)CC2)C1 ZINC001169014354 969340997 /nfs/dbraw/zinc/34/09/97/969340997.db2.gz YQYJAIHIWDBPFH-WOPDTQHZSA-N 1 0 244.310 2.256 20 5 BEBDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014040 969341757 /nfs/dbraw/zinc/34/17/57/969341757.db2.gz YHRSSPOBIUKNCZ-USZNOCQGSA-N 1 0 244.310 2.112 20 5 BEBDRO CC1CC([N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014004 969342839 /nfs/dbraw/zinc/34/28/39/969342839.db2.gz XOAZHOZIQNPJKU-UPOSSJBDSA-N 1 0 226.320 2.162 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC001168988883 969345989 /nfs/dbraw/zinc/34/59/89/969345989.db2.gz UPLJLMFFUHQLOT-IJLUTSLNSA-N 1 0 238.331 2.354 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](CF)C2)C1 ZINC001169034973 969351938 /nfs/dbraw/zinc/35/19/38/969351938.db2.gz JDRSTHZANQUKMI-GRYCIOLGSA-N 1 0 244.310 2.113 20 5 BEBDRO C[N@H+](CC1CCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037514 969357593 /nfs/dbraw/zinc/35/75/93/969357593.db2.gz SAGGHOYXWCOSCE-RYUDHWBXSA-N 1 0 226.320 2.164 20 5 BEBDRO Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001209931563 969692022 /nfs/dbraw/zinc/69/20/22/969692022.db2.gz AJQCBVUVAZJMSM-UHFFFAOYSA-N 1 0 244.254 2.046 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC1 ZINC001254550778 969735790 /nfs/dbraw/zinc/73/57/90/969735790.db2.gz QUXWLNAUPQAMGR-JTQLQIEISA-N 1 0 220.272 2.232 20 5 BEBDRO C[N@H+](CC1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600824 969743094 /nfs/dbraw/zinc/74/30/94/969743094.db2.gz VLYNDRLHOBDAKT-AWEZNQCLSA-N 1 0 246.310 2.404 20 5 BEBDRO Cc1c[nH+]ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393279 969881225 /nfs/dbraw/zinc/88/12/25/969881225.db2.gz XGQBKVRJBNTZTO-UHFFFAOYSA-N 1 0 245.238 2.169 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]cc1 ZINC001210444182 969889550 /nfs/dbraw/zinc/88/95/50/969889550.db2.gz TZBKDCKJJIHKEF-UHFFFAOYSA-N 1 0 245.238 2.164 20 5 BEBDRO Cc1ccc(Nc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001213663667 970375006 /nfs/dbraw/zinc/37/50/06/970375006.db2.gz RSPKLSVDKXOQPI-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO CC(C)([NH3+])CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001171196559 972856790 /nfs/dbraw/zinc/85/67/90/972856790.db2.gz XHFJIXFREUOPQZ-UHFFFAOYSA-N 1 0 248.286 2.225 20 5 BEBDRO Cc1ccncc1CO[C@@H](C)C[N+](C)(C)C ZINC001223536043 973136271 /nfs/dbraw/zinc/13/62/71/973136271.db2.gz GOWIQTKTXHZMME-LBPRGKRZSA-N 1 0 223.340 2.001 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc2ocnc2c1 ZINC001223811249 973293441 /nfs/dbraw/zinc/29/34/41/973293441.db2.gz GRHCMRCPRHDGHH-NSHDSACASA-N 1 0 249.334 2.439 20 5 BEBDRO C[C@H](C[N+](C)(C)C)O[C@@H](C)c1ccccn1 ZINC001223997020 973389579 /nfs/dbraw/zinc/38/95/79/973389579.db2.gz UOBKLEKNLXTXMR-NEPJUHHUSA-N 1 0 223.340 2.254 20 5 BEBDRO C[N+](C)(C)CCO[C@@H]1CCCc2cccnc21 ZINC001224771409 973937412 /nfs/dbraw/zinc/93/74/12/973937412.db2.gz LZWVOJXQXDCMLV-CYBMUJFWSA-N 1 0 235.351 2.182 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccccc2[nH]1 ZINC001225581768 974563769 /nfs/dbraw/zinc/56/37/69/974563769.db2.gz ASFBFHYJXVSPQZ-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C[NH+](C)C)c1 ZINC001225683041 974643837 /nfs/dbraw/zinc/64/38/37/974643837.db2.gz PVJZQHFIECFVJR-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO Cc1c(O)ccc(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001225778687 974679649 /nfs/dbraw/zinc/67/96/49/974679649.db2.gz YUMAMIIUJZJQOQ-JTQLQIEISA-O 1 0 238.351 2.483 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1noc2ccccc21 ZINC001226403662 974886006 /nfs/dbraw/zinc/88/60/06/974886006.db2.gz WHMIJNFPZVIPKY-JTQLQIEISA-N 1 0 235.307 2.301 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ncccc21 ZINC001226542615 974949684 /nfs/dbraw/zinc/94/96/84/974949684.db2.gz ZCXXXYIJYDAGBD-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc[nH]c2n1 ZINC001226807063 975096031 /nfs/dbraw/zinc/09/60/31/975096031.db2.gz HQRTZMXTUHYXOT-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO COc1cc(F)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226882281 975134078 /nfs/dbraw/zinc/13/40/78/975134078.db2.gz BKLKOPSJZAIKOC-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO Cc1cccc(O)c1O[C@@H](C)C[N+](C)(C)C ZINC001227139829 975293576 /nfs/dbraw/zinc/29/35/76/975293576.db2.gz PXMHXIIQQYULAW-NSHDSACASA-O 1 0 224.324 2.174 20 5 BEBDRO Cc1cc(O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227450334 975424763 /nfs/dbraw/zinc/42/47/63/975424763.db2.gz OQPCQHPGCDZQTD-NSHDSACASA-O 1 0 224.324 2.174 20 5 BEBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227464744 975441987 /nfs/dbraw/zinc/44/19/87/975441987.db2.gz NRKXYJDBMKCLLP-NSHDSACASA-N 1 0 236.335 2.363 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(F)c(Cl)c1 ZINC001227968744 975815714 /nfs/dbraw/zinc/81/57/14/975815714.db2.gz MRQZUSFEVIPILY-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2nccnc2c1 ZINC001228607467 976381771 /nfs/dbraw/zinc/38/17/71/976381771.db2.gz VQJAYXUCKMQCPJ-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334724849 976601644 /nfs/dbraw/zinc/60/16/44/976601644.db2.gz VSEVWBZZXDOTOJ-GHMZBOCLSA-N 1 0 214.309 2.212 20 5 BEBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)ccc1F ZINC001228981507 976605912 /nfs/dbraw/zinc/60/59/12/976605912.db2.gz CBOPKPZCXQPQOF-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO COCc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001229255659 976810423 /nfs/dbraw/zinc/81/04/23/976810423.db2.gz ILFCWIHWHAXYOT-GFCCVEGCSA-N 1 0 238.351 2.307 20 5 BEBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC001354470832 1170011007 /nfs/dbraw/zinc/01/10/07/1170011007.db2.gz GKBXGQFMUJARDK-LLVKDONJSA-N 1 0 222.288 2.231 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)ccc1O ZINC001230294891 977169888 /nfs/dbraw/zinc/16/98/88/977169888.db2.gz JUWOYPMBKKOQAX-VIFPVBQESA-O 1 0 228.287 2.005 20 5 BEBDRO O=[N+]([O-])c1ccc(F)c(Nc2cc[nH+]cc2)c1 ZINC001175734413 977670676 /nfs/dbraw/zinc/67/06/76/977670676.db2.gz IVWIKAJVZROSIO-UHFFFAOYSA-N 1 0 233.202 2.294 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(F)cc1O ZINC001233975421 978744998 /nfs/dbraw/zinc/74/49/98/978744998.db2.gz WOSMBDVQLLKSGD-QMMMGPOBSA-O 1 0 246.277 2.144 20 5 BEBDRO CCCC[C@@H]([NH2+]CC[N+](=O)[O-])C1CCC1 ZINC001351286846 982269472 /nfs/dbraw/zinc/26/94/72/982269472.db2.gz HRLLTXVOSNWCSF-LLVKDONJSA-N 1 0 214.309 2.212 20 5 BEBDRO C/C(=C\c1ccccc1)CN(C)CC[N+](=O)[O-] ZINC001351399193 982308446 /nfs/dbraw/zinc/30/84/46/982308446.db2.gz NDDHEGRJQOAJAQ-ZRDIBKRKSA-N 1 0 234.299 2.298 20 5 BEBDRO Cc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001199801373 983020158 /nfs/dbraw/zinc/02/01/58/983020158.db2.gz DGCGRSUURYSECA-UHFFFAOYSA-N 1 0 245.238 2.169 20 5 BEBDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001120503503 989668483 /nfs/dbraw/zinc/66/84/83/989668483.db2.gz SHURUOXGJPKNGZ-VHSXEESVSA-N 1 0 214.309 2.068 20 5 BEBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001262257258 992822566 /nfs/dbraw/zinc/82/25/66/992822566.db2.gz GKTQDEDOKQAJEQ-QWRGUYRKSA-N 1 0 214.309 2.068 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000026726024 1170861920 /nfs/dbraw/zinc/86/19/20/1170861920.db2.gz FNHYREFOVAJIMP-SECBINFHSA-N 1 0 208.261 2.087 20 5 BEBDRO Cc1c(O[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000043501541 1171295677 /nfs/dbraw/zinc/29/56/77/1171295677.db2.gz NIEVNKAFZRZJLA-SNVBAGLBSA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c1 ZINC000043501533 1171295770 /nfs/dbraw/zinc/29/57/70/1171295770.db2.gz RFNWBWOWZMJZHO-SNVBAGLBSA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cc(NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000059035243 178159957 /nfs/dbraw/zinc/15/99/57/178159957.db2.gz LQXHRSFKMCJUHZ-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO CC(C)(C)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000057839537 398231864 /nfs/dbraw/zinc/23/18/64/398231864.db2.gz PYBLAAMJYLGJSM-UHFFFAOYSA-N 1 0 237.303 2.395 20 5 BEBDRO Cc1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000037267612 361793806 /nfs/dbraw/zinc/79/38/06/361793806.db2.gz YSNOXULKTKJMCV-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[NH2+]C1 ZINC000043326476 178272196 /nfs/dbraw/zinc/27/21/96/178272196.db2.gz YCHXUXGEBNDIRM-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000229596669 178272419 /nfs/dbraw/zinc/27/24/19/178272419.db2.gz WHDYKLAFRZKTFC-ZWNOBZJWSA-N 1 0 249.314 2.456 20 5 BEBDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600192869 342698143 /nfs/dbraw/zinc/69/81/43/342698143.db2.gz UVEOYQPXIYSQSX-PHIMTYICSA-N 1 0 248.282 2.055 20 5 BEBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000054128110 259327533 /nfs/dbraw/zinc/32/75/33/259327533.db2.gz CMUKBTFKKWENAP-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO C[NH2+]CCCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000234357790 342921815 /nfs/dbraw/zinc/92/18/15/342921815.db2.gz VVRPHFPIQVVDIM-UHFFFAOYSA-N 1 0 244.678 2.237 20 5 BEBDRO CC[C@H]([NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000234027635 343058283 /nfs/dbraw/zinc/05/82/83/343058283.db2.gz UWJYGEKXFMCFND-LURJTMIESA-N 1 0 245.229 2.022 20 5 BEBDRO C[NH2+]C(C)(C)CNc1sccc1[N+](=O)[O-] ZINC000308913883 346938750 /nfs/dbraw/zinc/93/87/50/346938750.db2.gz FJPULVDGXKYHFK-UHFFFAOYSA-N 1 0 229.305 2.066 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH3+])c1 ZINC000013780218 343661226 /nfs/dbraw/zinc/66/12/26/343661226.db2.gz ANIBJVLRYPKMKX-UHFFFAOYSA-N 1 0 223.276 2.054 20 5 in-vivo BEBDRO C[NH2+]C[C@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000234395335 343963425 /nfs/dbraw/zinc/96/34/25/343963425.db2.gz KGICNAWZQZIJDK-VIFPVBQESA-N 1 0 237.303 2.171 20 5 BEBDRO O=[N+]([O-])c1ccc(CN2CC=CCC2)c(F)c1 ZINC000611517404 344749024 /nfs/dbraw/zinc/74/90/24/344749024.db2.gz YOQNKXQTXALHTC-UHFFFAOYSA-N 1 0 236.246 2.496 20 5 BEBDRO Cc1ccc(NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000129325335 178759898 /nfs/dbraw/zinc/75/98/98/178759898.db2.gz BFYFGAOUYNRFQO-SNVBAGLBSA-N 1 0 235.287 2.052 20 5 BEBDRO CSCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000070184125 345453924 /nfs/dbraw/zinc/45/39/24/345453924.db2.gz GXPSQCPCOOPBQO-UHFFFAOYSA-N 1 0 226.301 2.047 20 5 BEBDRO CSCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000070184126 345454215 /nfs/dbraw/zinc/45/42/15/345454215.db2.gz MPVLWOCXFKXWAQ-UHFFFAOYSA-N 1 0 226.301 2.047 20 5 BEBDRO CC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088698435 345543362 /nfs/dbraw/zinc/54/33/62/345543362.db2.gz GONPYIZANFCOOM-UHFFFAOYSA-N 1 0 249.314 2.045 20 5 BEBDRO CC(C)(F)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000601136485 346261642 /nfs/dbraw/zinc/26/16/42/346261642.db2.gz GBZXVLQHSJEHIB-UHFFFAOYSA-N 1 0 226.251 2.433 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](C[NH3+])C1 ZINC000158932754 346277693 /nfs/dbraw/zinc/27/76/93/346277693.db2.gz KTHCLXMCBOVSKM-LLVKDONJSA-N 1 0 249.314 2.078 20 5 BEBDRO Cc1cccc(N[C@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000235618276 179157748 /nfs/dbraw/zinc/15/77/48/179157748.db2.gz LHFSKUDNODBTNX-MNOVXSKESA-N 1 0 249.314 2.456 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000158953206 346736092 /nfs/dbraw/zinc/73/60/92/346736092.db2.gz CKYSODOTOWZOPZ-VIFPVBQESA-N 1 0 237.303 2.171 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000124003599 179206106 /nfs/dbraw/zinc/20/61/06/179206106.db2.gz USQVRYFOXWRJMB-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO C[NH2+]C(C)(C)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596175987 348462178 /nfs/dbraw/zinc/46/21/78/348462178.db2.gz YMXQNNNNOYNXHY-UHFFFAOYSA-N 1 0 243.332 2.375 20 5 BEBDRO C[C@@H](CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000596424288 348528495 /nfs/dbraw/zinc/52/84/95/348528495.db2.gz GFLSYNXJPCYNRK-JTQLQIEISA-N 1 0 237.303 2.347 20 5 BEBDRO C[NH2+]C1(CNc2ccc(C)cc2[N+](=O)[O-])CCC1 ZINC000598632183 349005114 /nfs/dbraw/zinc/00/51/14/349005114.db2.gz AGTHMGZHUJMEEA-UHFFFAOYSA-N 1 0 249.314 2.457 20 5 BEBDRO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599181006 349122525 /nfs/dbraw/zinc/12/25/25/349122525.db2.gz SHVJGBBNYGQQAS-WDEREUQCSA-N 1 0 249.314 2.172 20 5 BEBDRO C[N@@H+]1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000309484389 350576440 /nfs/dbraw/zinc/57/64/40/350576440.db2.gz UUIVQPUSYWUDKT-QMMMGPOBSA-N 1 0 241.316 2.162 20 5 BEBDRO C[NH2+]CCSCCc1ccc([N+](=O)[O-])cc1 ZINC000382659606 350941541 /nfs/dbraw/zinc/94/15/41/350941541.db2.gz OXZPSPNPCLRACB-UHFFFAOYSA-N 1 0 240.328 2.090 20 5 BEBDRO C[C@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343454566 350970391 /nfs/dbraw/zinc/97/03/91/350970391.db2.gz IOIIAXKYKKVRJN-WDEREUQCSA-N 1 0 249.314 2.489 20 5 BEBDRO CC1(C)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044371126 187606419 /nfs/dbraw/zinc/60/64/19/187606419.db2.gz ZIILLSVUQDSWKT-NSHDSACASA-N 1 0 220.272 2.483 20 5 BEBDRO COc1ccc(CN(C)CCF)cc1[N+](=O)[O-] ZINC000268289262 188023612 /nfs/dbraw/zinc/02/36/12/188023612.db2.gz INXGBDUXKYYQIW-UHFFFAOYSA-N 1 0 242.250 2.005 20 5 BEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052287984 188299904 /nfs/dbraw/zinc/29/99/04/188299904.db2.gz HEXDSPNRRSYOSU-PSASIEDQSA-N 1 0 236.271 2.101 20 5 BEBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094342534 356838163 /nfs/dbraw/zinc/83/81/63/356838163.db2.gz UUVIUWHNRDTCQY-PWSUYJOCSA-N 1 0 249.314 2.077 20 5 BEBDRO CC[C@@H]([NH2+][C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602180 358002642 /nfs/dbraw/zinc/00/26/42/358002642.db2.gz YMZYDDOIMRWRPL-JOYOIKCWSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1ccc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000037647816 364378438 /nfs/dbraw/zinc/37/84/38/364378438.db2.gz TZDHIJGHZOUKIQ-NSHDSACASA-N 1 0 249.314 2.267 20 5 BEBDRO COC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087684 370236054 /nfs/dbraw/zinc/23/60/54/370236054.db2.gz CBZBNTCDUNHVCM-VHSXEESVSA-N 1 0 238.287 2.280 20 5 BEBDRO C[NH2+]CCCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000123576805 371086156 /nfs/dbraw/zinc/08/61/56/371086156.db2.gz HHQVTRDXMXGPOJ-UHFFFAOYSA-N 1 0 242.250 2.031 20 5 BEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000021504700 371435977 /nfs/dbraw/zinc/43/59/77/371435977.db2.gz JFGZKENWDBLWRE-NSHDSACASA-N 1 0 249.314 2.491 20 5 BEBDRO CCC[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000054267430 169260233 /nfs/dbraw/zinc/26/02/33/169260233.db2.gz YOHXDRUHQNXPJZ-UHFFFAOYSA-N 1 0 223.276 2.006 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCSC1 ZINC000050015513 383888629 /nfs/dbraw/zinc/88/86/29/383888629.db2.gz NJSQSAYKQVJSSA-JTQLQIEISA-N 1 0 238.312 2.190 20 5 BEBDRO C[C@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000339494156 383988713 /nfs/dbraw/zinc/98/87/13/383988713.db2.gz JYTZLDYIPLXBPK-VIFPVBQESA-N 1 0 226.251 2.433 20 5 BEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163646 383949878 /nfs/dbraw/zinc/94/98/78/383949878.db2.gz IUAXLEJIRZXEJR-GHMZBOCLSA-N 1 0 249.314 2.395 20 5 BEBDRO CC[C@@H](COC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070658053 384612338 /nfs/dbraw/zinc/61/23/38/384612338.db2.gz FYJRDQISJSWHDY-VIFPVBQESA-N 1 0 244.316 2.171 20 5 BEBDRO COc1ccc(C[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424185149 384780061 /nfs/dbraw/zinc/78/00/61/384780061.db2.gz OJEAAQOFRCBIDS-LBPRGKRZSA-N 1 0 248.282 2.246 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCF)c1 ZINC000309319475 385046198 /nfs/dbraw/zinc/04/61/98/385046198.db2.gz GPZVFHUBSSMAPY-UHFFFAOYSA-N 1 0 226.251 2.434 20 5 BEBDRO C[N@H+](CCCF)CCc1cccc([N+](=O)[O-])c1 ZINC000282419847 385762512 /nfs/dbraw/zinc/76/25/12/385762512.db2.gz JHEJROJFVMQJDF-UHFFFAOYSA-N 1 0 240.278 2.429 20 5 BEBDRO CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282472630 385764441 /nfs/dbraw/zinc/76/44/41/385764441.db2.gz NZQPWMPZTYQUNC-UHFFFAOYSA-N 1 0 208.261 2.089 20 5 BEBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052287986 385720196 /nfs/dbraw/zinc/72/01/96/385720196.db2.gz HEXDSPNRRSYOSU-WCBMZHEXSA-N 1 0 236.271 2.101 20 5 BEBDRO CO[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428333 385861659 /nfs/dbraw/zinc/86/16/59/385861659.db2.gz BNCARZSGVCFWNJ-VHSXEESVSA-N 1 0 238.287 2.280 20 5 BEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000035136383 386424413 /nfs/dbraw/zinc/42/44/13/386424413.db2.gz INFDVIPEMLJTSF-SECBINFHSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@@H](C[NH+](C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000160232188 386467238 /nfs/dbraw/zinc/46/72/38/386467238.db2.gz ULHJQJKYCLIDFF-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO C[C@@H]([NH2+]C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294762415 386492089 /nfs/dbraw/zinc/49/20/89/386492089.db2.gz MOMQEUBWGSNUJN-MRVPVSSYSA-N 1 0 235.287 2.380 20 5 BEBDRO C[NH+](C)CCSCc1ccc([N+](=O)[O-])cc1 ZINC000268029801 386771638 /nfs/dbraw/zinc/77/16/38/386771638.db2.gz XEDFEPLLWAWWGR-UHFFFAOYSA-N 1 0 240.328 2.390 20 5 BEBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000271660603 388397572 /nfs/dbraw/zinc/39/75/72/388397572.db2.gz UXRYYTLIOBARLM-ZDUSSCGKSA-N 1 0 249.314 2.125 20 5 BEBDRO C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000078536029 388682665 /nfs/dbraw/zinc/68/26/65/388682665.db2.gz ZFIMCKFCZAVWSV-ZDUSSCGKSA-N 1 0 249.314 2.347 20 5 BEBDRO CC[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000066373500 388682866 /nfs/dbraw/zinc/68/28/66/388682866.db2.gz WEFTUKZHOQPHFE-UHFFFAOYSA-N 1 0 241.266 2.098 20 5 BEBDRO Cc1c(C[NH2+]CC2(F)CC2)cccc1[N+](=O)[O-] ZINC000530280941 388713620 /nfs/dbraw/zinc/71/36/20/388713620.db2.gz MLTIAMXEMPHWFW-UHFFFAOYSA-N 1 0 238.262 2.495 20 5 BEBDRO C[C@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193276837 388842749 /nfs/dbraw/zinc/84/27/49/388842749.db2.gz OWFIASHOLMXJOZ-JTQLQIEISA-N 1 0 238.287 2.018 20 5 BEBDRO CC[NH+]1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263696973 132177566 /nfs/dbraw/zinc/17/75/66/132177566.db2.gz DUSHGXCPSUCJFZ-UHFFFAOYSA-N 1 0 249.314 2.045 20 5 BEBDRO [NH3+]CC[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000070171251 132229812 /nfs/dbraw/zinc/22/98/12/132229812.db2.gz XWHYZJLDQVAIHI-NSHDSACASA-N 1 0 249.314 2.160 20 5 BEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000070534455 132231311 /nfs/dbraw/zinc/23/13/11/132231311.db2.gz QIQCKFHRYNPAMD-GHMZBOCLSA-N 1 0 249.314 2.158 20 5 BEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000356796654 132271811 /nfs/dbraw/zinc/27/18/11/132271811.db2.gz RDGCQBCZFGXMLC-QWRGUYRKSA-N 1 0 249.314 2.124 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000261598428 135236516 /nfs/dbraw/zinc/23/65/16/135236516.db2.gz ZMYYQARITBOBMS-RKDXNWHRSA-N 1 0 223.276 2.051 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H]1C(F)F ZINC000342227358 135254039 /nfs/dbraw/zinc/25/40/39/135254039.db2.gz YOSPWRVVQIVOMJ-BDAKNGLRSA-N 1 0 242.225 2.338 20 5 BEBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089092112 135528715 /nfs/dbraw/zinc/52/87/15/135528715.db2.gz RVQMNUMRGWODBC-VHSXEESVSA-N 1 0 235.287 2.134 20 5 BEBDRO CC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC000063034277 1172797453 /nfs/dbraw/zinc/79/74/53/1172797453.db2.gz NBQQFXXTVHUSNE-SECBINFHSA-N 1 0 238.287 2.144 20 5 BEBDRO CC(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020036821 167010698 /nfs/dbraw/zinc/01/06/98/167010698.db2.gz SQLLFYNQAWLBQA-UHFFFAOYSA-N 1 0 208.261 2.340 20 5 BEBDRO CC[C@H](C)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726032 171282204 /nfs/dbraw/zinc/28/22/04/171282204.db2.gz UCPWHRIRGBRGOG-JTQLQIEISA-N 1 0 249.314 2.394 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000129521598 173375669 /nfs/dbraw/zinc/37/56/69/173375669.db2.gz QUZHKJZCNAYBOH-VIFPVBQESA-N 1 0 237.303 2.171 20 5 BEBDRO COCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085604 174340348 /nfs/dbraw/zinc/34/03/48/174340348.db2.gz LIHLSJBCKNHCNF-SNVBAGLBSA-N 1 0 238.287 2.200 20 5 BEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH3+])CC1 ZINC000020526337 176026928 /nfs/dbraw/zinc/02/69/28/176026928.db2.gz FDLICFGAUFIYGO-JTQLQIEISA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299616792 176175682 /nfs/dbraw/zinc/17/56/82/176175682.db2.gz IQTAJWMJAMAKGW-SNVBAGLBSA-N 1 0 220.272 2.437 20 5 BEBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000309331563 176237122 /nfs/dbraw/zinc/23/71/22/176237122.db2.gz SLYMTFVZDCWPEP-MWLCHTKSSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H](CC[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000049558510 176625884 /nfs/dbraw/zinc/62/58/84/176625884.db2.gz FZADTJXGOBSHID-SNVBAGLBSA-N 1 0 237.303 2.347 20 5 BEBDRO C[C@H]1C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052272247 177385307 /nfs/dbraw/zinc/38/53/07/177385307.db2.gz XTHBXAHCYVEIQS-GZMMTYOYSA-N 1 0 206.245 2.093 20 5 BEBDRO COc1ccc(C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000051125776 323173585 /nfs/dbraw/zinc/17/35/85/323173585.db2.gz LGVPYBCCMIKYIM-UHFFFAOYSA-N 1 0 236.271 2.199 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CC1)CC2 ZINC000156694853 326240041 /nfs/dbraw/zinc/24/00/41/326240041.db2.gz QPKPVKNCKMQJLE-UHFFFAOYSA-N 1 0 232.283 2.363 20 5 BEBDRO CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568901239 326382404 /nfs/dbraw/zinc/38/24/04/326382404.db2.gz QQAOOHGEHJRZGI-SNVBAGLBSA-N 1 0 206.245 2.192 20 5 BEBDRO C[NH2+][C@H]1CCCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094663274 536414794 /nfs/dbraw/zinc/41/47/94/536414794.db2.gz PGVGMANGZQBDHC-NSHDSACASA-N 1 0 249.314 2.091 20 5 BEBDRO CC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200415 583134670 /nfs/dbraw/zinc/13/46/70/583134670.db2.gz DNMXOIOXJDLMNI-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895739502 583714545 /nfs/dbraw/zinc/71/45/45/583714545.db2.gz FLWQEXISOFFHRZ-YUMQZZPRSA-N 1 0 241.316 2.161 20 5 BEBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895739500 583714620 /nfs/dbraw/zinc/71/46/20/583714620.db2.gz FLWQEXISOFFHRZ-JGVFFNPUSA-N 1 0 241.316 2.161 20 5 BEBDRO CC(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899872152 584244498 /nfs/dbraw/zinc/24/44/98/584244498.db2.gz YCDUKISXJRFQON-CYBMUJFWSA-N 1 0 236.315 2.293 20 5 BEBDRO Cc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])C2CC2)cc1 ZINC000899863873 584244701 /nfs/dbraw/zinc/24/47/01/584244701.db2.gz BLWWTIKMZOODKE-CYBMUJFWSA-N 1 0 234.299 2.312 20 5 BEBDRO C[C@H](Cc1ccccc1Cl)[NH2+]CC[N+](=O)[O-] ZINC000899870081 584244784 /nfs/dbraw/zinc/24/47/84/584244784.db2.gz DEMNKTYRIHMIAA-SECBINFHSA-N 1 0 242.706 2.137 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761100161 585409011 /nfs/dbraw/zinc/40/90/11/585409011.db2.gz WMMSDVHEEXJMKP-YPMHNXCESA-N 1 0 232.283 2.232 20 5 BEBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000779860338 585769231 /nfs/dbraw/zinc/76/92/31/585769231.db2.gz XCNROUFPEMXYPJ-SNVBAGLBSA-N 1 0 240.307 2.034 20 5 BEBDRO C[NH+](C)CCS/C=C/c1ccc([N+](=O)[O-])o1 ZINC000789930894 585954008 /nfs/dbraw/zinc/95/40/08/585954008.db2.gz WJKUQAPJNWEWSR-FNORWQNLSA-N 1 0 242.300 2.453 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000791054670 585973267 /nfs/dbraw/zinc/97/32/67/585973267.db2.gz NUFWWINYAPKHSU-NSHDSACASA-N 1 0 236.315 2.219 20 5 BEBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054154 585973297 /nfs/dbraw/zinc/97/32/97/585973297.db2.gz XZPMCYOGZQNPIN-STQMWFEESA-N 1 0 248.326 2.450 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355849 586888306 /nfs/dbraw/zinc/88/83/06/586888306.db2.gz JUSHDMXNUGSXRD-UFBFGSQYSA-N 1 0 247.298 2.380 20 5 BEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000820597277 587057765 /nfs/dbraw/zinc/05/77/65/587057765.db2.gz YFZUBQAFQUOOKZ-GXFFZTMASA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000820597278 587057984 /nfs/dbraw/zinc/05/79/84/587057984.db2.gz YFZUBQAFQUOOKZ-MFKMUULPSA-N 1 0 249.314 2.124 20 5 BEBDRO Cc1ccc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000212732964 591426340 /nfs/dbraw/zinc/42/63/40/591426340.db2.gz IDEDFIHRSLLPDB-UHFFFAOYSA-N 1 0 249.314 2.091 20 5 BEBDRO CC1(C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026063 592135876 /nfs/dbraw/zinc/13/58/76/592135876.db2.gz PGYHIIWTRIGXIY-UHFFFAOYSA-N 1 0 235.287 2.222 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000930741908 634080817 /nfs/dbraw/zinc/08/08/17/634080817.db2.gz BTJCXFSTZWSOSG-GHMZBOCLSA-N 1 0 228.336 2.410 20 5 BEBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905091931 637599142 /nfs/dbraw/zinc/59/91/42/637599142.db2.gz ARZCELKQDCTJKT-GHMZBOCLSA-N 1 0 214.309 2.068 20 5 BEBDRO Cc1ccc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000905107176 637615162 /nfs/dbraw/zinc/61/51/62/637615162.db2.gz VWLBYZIIXQAGSA-GFCCVEGCSA-N 1 0 236.315 2.101 20 5 BEBDRO C[C@H]1CCCC[C@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905117322 637622595 /nfs/dbraw/zinc/62/25/95/637622595.db2.gz NUVFUTCAENUGTA-QWRGUYRKSA-N 1 0 214.309 2.069 20 5 BEBDRO CCCC[C@H](CCC)[NH2+]CC[N+](=O)[O-] ZINC000905155619 637638678 /nfs/dbraw/zinc/63/86/78/637638678.db2.gz OZJIZODMVNLZCZ-JTQLQIEISA-N 1 0 202.298 2.212 20 5 BEBDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905190509 637671293 /nfs/dbraw/zinc/67/12/93/637671293.db2.gz KZYAKRKHDZECCI-GXFFZTMASA-N 1 0 234.299 2.176 20 5 BEBDRO CC(C)CC1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905161455 637672944 /nfs/dbraw/zinc/67/29/44/637672944.db2.gz SRKBUXVBHDLNPG-UHFFFAOYSA-N 1 0 214.309 2.069 20 5 BEBDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC[N+](=O)[O-])CCC2 ZINC000905264083 637717647 /nfs/dbraw/zinc/71/76/47/637717647.db2.gz YJGDFPFLJJUJFO-ZDUSSCGKSA-N 1 0 234.299 2.239 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000905272305 637729451 /nfs/dbraw/zinc/72/94/51/637729451.db2.gz GOSDVCFLZAHNFI-UONOGXRCSA-N 1 0 248.326 2.437 20 5 BEBDRO CC(F)(F)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905269186 637730090 /nfs/dbraw/zinc/73/00/90/637730090.db2.gz VAINYRYDEMZURH-UHFFFAOYSA-N 1 0 244.241 2.165 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C1CCC(C2CCC2)CC1 ZINC000905385130 637784978 /nfs/dbraw/zinc/78/49/78/637784978.db2.gz XCHMLWVSIVDCKQ-UHFFFAOYSA-N 1 0 226.320 2.212 20 5 BEBDRO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905390061 637786276 /nfs/dbraw/zinc/78/62/76/637786276.db2.gz OGYKYTGUECHPBN-RYUDHWBXSA-N 1 0 234.299 2.045 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCC1CCC(F)(F)CC1 ZINC000905676019 637887751 /nfs/dbraw/zinc/88/77/51/637887751.db2.gz BYRGGFDXHFKPCX-UHFFFAOYSA-N 1 0 236.262 2.068 20 5 BEBDRO CC(C)(C)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930295045 639687832 /nfs/dbraw/zinc/68/78/32/639687832.db2.gz CDFYGHGTNLONJO-SNVBAGLBSA-N 1 0 214.309 2.021 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000930530957 639803340 /nfs/dbraw/zinc/80/33/40/639803340.db2.gz FZUXDTVNDCDYIR-LLVKDONJSA-N 1 0 226.320 2.356 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000930921222 639988894 /nfs/dbraw/zinc/98/88/94/639988894.db2.gz NPBAOKNCKJOEQW-LLVKDONJSA-N 1 0 226.320 2.356 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000931067277 640055087 /nfs/dbraw/zinc/05/50/87/640055087.db2.gz OGSPBGDXWGXXJK-LBPRGKRZSA-N 1 0 226.320 2.308 20 5 BEBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000931746685 640343027 /nfs/dbraw/zinc/34/30/27/640343027.db2.gz KHQHXJBTDGKDAW-YPMHNXCESA-N 1 0 234.299 2.346 20 5 BEBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929694717 641401117 /nfs/dbraw/zinc/40/11/17/641401117.db2.gz ZEGOJGYQGLWOHG-GHMZBOCLSA-N 1 0 214.309 2.164 20 5 BEBDRO CC(C)(C)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929658414 646226267 /nfs/dbraw/zinc/22/62/67/646226267.db2.gz YHQLKNQISKLJKP-UHFFFAOYSA-N 1 0 214.309 2.021 20 5 BEBDRO CCC1CCC([N@H+](C)CC[N+](=O)[O-])CC1 ZINC000929780012 646309529 /nfs/dbraw/zinc/30/95/29/646309529.db2.gz QCAMCLNLFTVJOM-UHFFFAOYSA-N 1 0 214.309 2.164 20 5 BEBDRO O=[N+]([O-])CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000929889982 646367491 /nfs/dbraw/zinc/36/74/91/646367491.db2.gz KSRIKUCDOZGQOT-CQSZACIVSA-N 1 0 246.310 2.415 20 5 BEBDRO C[C@@H](c1ccccc1)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929906805 646370599 /nfs/dbraw/zinc/37/05/99/646370599.db2.gz YVPRGYNIUBSVHP-NSHDSACASA-N 1 0 234.299 2.489 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000929957381 646379848 /nfs/dbraw/zinc/37/98/48/646379848.db2.gz ZERJQLRSYDSFNF-UHFFFAOYSA-N 1 0 238.262 2.071 20 5 BEBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930005543 646393070 /nfs/dbraw/zinc/39/30/70/646393070.db2.gz MKPCZQJYHSSDMA-GHMZBOCLSA-N 1 0 214.309 2.164 20 5 BEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597623 712436323 /nfs/dbraw/zinc/43/63/23/712436323.db2.gz YWTUNEGPGPMJBP-SNVBAGLBSA-N 1 0 235.287 2.101 20 5 BEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000712602461 712437015 /nfs/dbraw/zinc/43/70/15/712437015.db2.gz AZNGXBBRQXYZQR-GFCCVEGCSA-N 1 0 249.314 2.409 20 5 BEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000712602462 712437018 /nfs/dbraw/zinc/43/70/18/712437018.db2.gz AZNGXBBRQXYZQR-LBPRGKRZSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000712609018 712437350 /nfs/dbraw/zinc/43/73/50/712437350.db2.gz VDZKHWGBRGWZGT-JTQLQIEISA-N 1 0 235.287 2.019 20 5 BEBDRO C[C@@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719578062 712812031 /nfs/dbraw/zinc/81/20/31/712812031.db2.gz MHPBAROIEDIXPB-NXEZZACHSA-N 1 0 235.287 2.099 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719623936 712814110 /nfs/dbraw/zinc/81/41/10/712814110.db2.gz KDFNIHSCYBLKOX-GWCFXTLKSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000719620772 712817490 /nfs/dbraw/zinc/81/74/90/712817490.db2.gz AAVWDNWOMOGBBO-PWSUYJOCSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cccc(N[C@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719622552 712817744 /nfs/dbraw/zinc/81/77/44/712817744.db2.gz GOPYAUOUFYVCSF-QWRGUYRKSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000719622534 712817897 /nfs/dbraw/zinc/81/78/97/712817897.db2.gz GHZUJQGDWKBOBW-QWRGUYRKSA-N 1 0 249.314 2.408 20 5 BEBDRO CCC(CC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958791 969308691 /nfs/dbraw/zinc/30/86/91/969308691.db2.gz PRGPCVABEPSVQM-ONGXEEELSA-N 1 0 214.309 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCCCCC2)C1 ZINC001169009678 969334322 /nfs/dbraw/zinc/33/43/22/969334322.db2.gz XGRUKJQSHDQVLL-NEPJUHHUSA-N 1 0 226.320 2.308 20 5 BEBDRO CC1(C)CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010220 969338895 /nfs/dbraw/zinc/33/88/95/969338895.db2.gz ZZGUOHAHRFOUBC-QWRGUYRKSA-N 1 0 226.320 2.306 20 5 BEBDRO CC1(C)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026327 969365393 /nfs/dbraw/zinc/36/53/93/969365393.db2.gz KWRBLQVNESJQRZ-GHMZBOCLSA-N 1 0 226.320 2.164 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCF ZINC001173215388 975069590 /nfs/dbraw/zinc/06/95/90/975069590.db2.gz VWKSKPVBVMVQJB-VIFPVBQESA-N 1 0 226.251 2.085 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cnc1Cl ZINC001226108903 974792639 /nfs/dbraw/zinc/79/26/39/974792639.db2.gz HXNUGDXMTSLZMK-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO Cc1ccc(CO[C@H](C)C[N+](C)(C)C)nc1 ZINC001223243607 972893447 /nfs/dbraw/zinc/89/34/47/972893447.db2.gz JVLYGQSMSKPQSE-GFCCVEGCSA-N 1 0 223.340 2.001 20 5 BEBDRO Cc1cc(C)nc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001223423143 973058675 /nfs/dbraw/zinc/05/86/75/973058675.db2.gz UFVIYTAPOISGFW-ZDUSSCGKSA-N 1 0 237.367 2.310 20 5 BEBDRO CC1(C)CC[C@@H](COCCC[N+](C)(C)C)O1 ZINC001224619413 973802415 /nfs/dbraw/zinc/80/24/15/973802415.db2.gz NLERJIGJWIMQHX-LBPRGKRZSA-N 1 0 230.372 2.057 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)c1nccs1 ZINC001224620798 973802468 /nfs/dbraw/zinc/80/24/68/973802468.db2.gz FAABNUSTBCTEST-JTQLQIEISA-N 1 0 229.369 2.317 20 5 BEBDRO C[C@H]1CCC[C@@H]1OCCC[N+](C)(C)C ZINC001224619415 973803260 /nfs/dbraw/zinc/80/32/60/973803260.db2.gz NMZFFDLOSMORJX-RYUDHWBXSA-N 1 0 200.346 2.288 20 5 BEBDRO CCCCOC[C@@H](C)OCCC[N+](C)(C)C ZINC001224623812 973807463 /nfs/dbraw/zinc/80/74/63/973807463.db2.gz RBFJYTLIQWFZLC-CYBMUJFWSA-N 1 0 232.388 2.305 20 5 BEBDRO C[C@H](OCC[N+](C)(C)C)c1ccncc1F ZINC001224772573 973938173 /nfs/dbraw/zinc/93/81/73/973938173.db2.gz AMTPBERQNNPWEV-JTQLQIEISA-N 1 0 227.303 2.005 20 5 BEBDRO CC1(C)CC(OCC[N+](C)(C)C)CC(C)(C)O1 ZINC001224776730 973941933 /nfs/dbraw/zinc/94/19/33/973941933.db2.gz ZEKAZFLYRWWYKW-UHFFFAOYSA-N 1 0 244.399 2.445 20 5 BEBDRO C[N+](C)(C)CCOC1CCC(F)(F)CC1 ZINC001224771162 973937981 /nfs/dbraw/zinc/93/79/81/973937981.db2.gz HPVRYFOCEVLRQR-UHFFFAOYSA-N 1 0 222.299 2.287 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(F)c1 ZINC001225228525 974272111 /nfs/dbraw/zinc/27/21/11/974272111.db2.gz CWUJSSGDHHJCFB-JTQLQIEISA-N 1 0 212.288 2.299 20 5 BEBDRO C[C@@H](O[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001217824896 959623892 /nfs/dbraw/zinc/62/38/92/959623892.db2.gz YLVNGLBTFMCYEE-SKDRFNHKSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@H]([NH3+])CNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235488940 959758693 /nfs/dbraw/zinc/75/86/93/959758693.db2.gz AOTIZHXCQJKUNY-YFKPBYRVSA-N 1 0 247.657 2.146 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cn1 ZINC001225276121 961990173 /nfs/dbraw/zinc/99/01/73/961990173.db2.gz XZDGDMLAHMFJOW-SECBINFHSA-N 1 0 229.731 2.209 20 5 BEBDRO CC(C)CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001161648494 963022481 /nfs/dbraw/zinc/02/24/81/963022481.db2.gz KMBYTYAKIVVMCC-UHFFFAOYSA-N 1 0 235.287 2.266 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ccncc21 ZINC001226566127 963256192 /nfs/dbraw/zinc/25/61/92/963256192.db2.gz KMTNJAWRAZNKJP-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO Cc1nc2cc(O[C@@H](C)C[N+](C)(C)C)ccc2[nH]1 ZINC001228330112 963758430 /nfs/dbraw/zinc/75/84/30/963758430.db2.gz VGCIRYQGXZBYSS-JTQLQIEISA-N 1 0 248.350 2.345 20 5 BEBDRO C[N+](C)(C)CCO[C@@H]1CCOc2ccccc21 ZINC001224775967 964938651 /nfs/dbraw/zinc/93/86/51/964938651.db2.gz QJAOGPDYKYYQNI-CQSZACIVSA-N 1 0 236.335 2.233 20 5 BEBDRO COc1ccc(C[NH2+][C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000698298224 965192965 /nfs/dbraw/zinc/19/29/65/965192965.db2.gz FHZGNRPPTCTRAO-NSHDSACASA-N 1 0 248.282 2.412 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCCOc1ccccc1 ZINC001204964983 967268002 /nfs/dbraw/zinc/26/80/02/967268002.db2.gz SJQIOPFFXALWMN-ZDUSSCGKSA-N 1 0 238.351 2.177 20 5 BEBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001230921938 968489681 /nfs/dbraw/zinc/48/96/81/968489681.db2.gz ABPGXECQQTWUSB-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccoc1 ZINC001168985572 969302461 /nfs/dbraw/zinc/30/24/61/969302461.db2.gz SZXSQIMLOWBHKQ-UMNHJUIQSA-N 1 0 238.287 2.376 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)C1 ZINC001168956355 969303597 /nfs/dbraw/zinc/30/35/97/969303597.db2.gz AYQUNVFYOWFVMA-NOOOWODRSA-N 1 0 244.310 2.160 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC001168955847 969304743 /nfs/dbraw/zinc/30/47/43/969304743.db2.gz CSISXTOLZXLVGH-PWSUYJOCSA-N 1 0 226.320 2.354 20 5 BEBDRO C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956527 969306517 /nfs/dbraw/zinc/30/65/17/969306517.db2.gz BJJSIIPMWBKLBD-FIQHERPVSA-N 1 0 226.320 2.210 20 5 BEBDRO CCC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958286 969306640 /nfs/dbraw/zinc/30/66/40/969306640.db2.gz MILMLFFHFKPWMJ-NXEZZACHSA-N 1 0 214.309 2.210 20 5 BEBDRO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958340 969306921 /nfs/dbraw/zinc/30/69/21/969306921.db2.gz MTDPQVBPLAGBNF-HBNTYKKESA-N 1 0 214.309 2.068 20 5 BEBDRO C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956532 969307691 /nfs/dbraw/zinc/30/76/91/969307691.db2.gz BJJSIIPMWBKLBD-WHOHXGKFSA-N 1 0 226.320 2.210 20 5 BEBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168961205 969311975 /nfs/dbraw/zinc/31/19/75/969311975.db2.gz HTPGEFGQTJOVSE-ONGXEEELSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001168961914 969313932 /nfs/dbraw/zinc/31/39/32/969313932.db2.gz LEBPOCDXFIOADP-WPRPVWTQSA-N 1 0 248.273 2.067 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168964946 969319287 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20 5 BEBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004941 969329623 /nfs/dbraw/zinc/32/96/23/969329623.db2.gz SKPMNPMGXYTBSF-FHUSYTEZSA-N 1 0 240.347 2.456 20 5 BEBDRO CC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006246 969329912 /nfs/dbraw/zinc/32/99/12/969329912.db2.gz GJHIELDUPUFQHG-VXGBXAGGSA-N 1 0 226.320 2.164 20 5 BEBDRO CC1(C)CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010221 969337126 /nfs/dbraw/zinc/33/71/26/969337126.db2.gz ZZGUOHAHRFOUBC-WDEREUQCSA-N 1 0 226.320 2.306 20 5 BEBDRO C[C@]1(CF)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012505 969338349 /nfs/dbraw/zinc/33/83/49/969338349.db2.gz QSFYEWVZJNCHGG-GRYCIOLGSA-N 1 0 244.310 2.113 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001169011937 969339548 /nfs/dbraw/zinc/33/95/48/969339548.db2.gz NUHZLCKZWHHVKS-RVMXOQNASA-N 1 0 238.331 2.164 20 5 BEBDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014041 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Cc1c[nH+]ccc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209933147 969696492 /nfs/dbraw/zinc/69/64/92/969696492.db2.gz ZMYVIWWUOJPPCQ-UHFFFAOYSA-N 1 0 244.254 2.046 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCF ZINC001254567906 969739619 /nfs/dbraw/zinc/73/96/19/969739619.db2.gz DATLSJDQSKKLFM-JTQLQIEISA-N 1 0 240.278 2.427 20 5 BEBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001254566343 969739643 /nfs/dbraw/zinc/73/96/43/969739643.db2.gz JNUODDLFLWCTFW-ZANVPECISA-N 1 0 246.310 2.450 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CCC1)C2 ZINC001254565626 969740564 /nfs/dbraw/zinc/74/05/64/969740564.db2.gz DYTPDAOCLHMGGE-ZDUSSCGKSA-N 1 0 246.310 2.452 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C13CC(C1)C3)C2 ZINC001254572828 969742438 /nfs/dbraw/zinc/74/24/38/969742438.db2.gz SUYYHAYFVFCOFX-VTGPFMDVSA-N 1 0 244.294 2.204 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001254594472 969743944 /nfs/dbraw/zinc/74/39/44/969743944.db2.gz RJKZMZIFHVQDNI-MBNYWOFBSA-N 1 0 244.294 2.014 20 5 BEBDRO C[C@H]1CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593335 969744126 /nfs/dbraw/zinc/74/41/26/969744126.db2.gz KVPBZWPRDSSIBE-TVQRCGJNSA-N 1 0 232.283 2.156 20 5 BEBDRO C[N@H+](C1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596333 969745597 /nfs/dbraw/zinc/74/55/97/969745597.db2.gz COPQORWLKJCNJL-CYBMUJFWSA-N 1 0 232.283 2.156 20 5 BEBDRO Cn1cc[nH+]c1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211188678 970169695 /nfs/dbraw/zinc/16/96/95/970169695.db2.gz MSHFWWOBFAWQKL-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO C[C@H](C[NH+](C)C)OCc1ccccc1[N+](=O)[O-] ZINC001222759461 972686148 /nfs/dbraw/zinc/68/61/48/972686148.db2.gz GFUHUMUFSKEBBF-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1nc2ccccc2o1 ZINC001222916119 972748752 /nfs/dbraw/zinc/74/87/52/972748752.db2.gz VYBVCSXVIHYCCJ-NSHDSACASA-N 1 0 249.334 2.439 20 5 BEBDRO CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC001328083233 972869934 /nfs/dbraw/zinc/86/99/34/972869934.db2.gz APFKGXQTUDJILV-QMMMGPOBSA-N 1 0 224.260 2.274 20 5 BEBDRO C[C@@H](O[C@@H](C)C[N+](C)(C)C)c1ccccn1 ZINC001223997021 973387277 /nfs/dbraw/zinc/38/72/77/973387277.db2.gz UOBKLEKNLXTXMR-NWDGAFQWSA-N 1 0 223.340 2.254 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)O[C@@H](C)c1nccs1 ZINC001224010229 973404723 /nfs/dbraw/zinc/40/47/23/973404723.db2.gz ZWZVOJDVSRDWJH-UWVGGRQHSA-N 1 0 229.369 2.315 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1nccs1 ZINC001224620801 973802253 /nfs/dbraw/zinc/80/22/53/973802253.db2.gz FAABNUSTBCTEST-SNVBAGLBSA-N 1 0 229.369 2.317 20 5 BEBDRO CC1(C)C(=O)CCC[C@@H]1OCCC[N+](C)(C)C ZINC001224624349 973808078 /nfs/dbraw/zinc/80/80/78/973808078.db2.gz VMTCENZYTHQMHA-ZDUSSCGKSA-N 1 0 242.383 2.247 20 5 BEBDRO C[C@H]1CC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224624017 973808826 /nfs/dbraw/zinc/80/88/26/973808826.db2.gz SYJSMPMRGAFRRH-NWDGAFQWSA-N 1 0 200.346 2.288 20 5 BEBDRO CC(=O)[C@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224775554 973940646 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/nfs/dbraw/zinc/94/01/46/974940146.db2.gz KBIUUTMAENIKEE-NSHDSACASA-O 1 0 238.351 2.483 20 5 BEBDRO CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899194 974963883 /nfs/dbraw/zinc/96/38/83/974963883.db2.gz VDVMKIYVSYFJKP-GFCCVEGCSA-N 1 0 234.299 2.452 20 5 BEBDRO CC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226565 975074481 /nfs/dbraw/zinc/07/44/81/975074481.db2.gz MODBGFQUXVGXGF-JTQLQIEISA-N 1 0 222.288 2.478 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cnnc2ccccc21 ZINC001226890595 975138146 /nfs/dbraw/zinc/13/81/46/975138146.db2.gz DAKUNYJNSYTVDK-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(cnn2C)c1 ZINC001226940100 975166202 /nfs/dbraw/zinc/16/62/02/975166202.db2.gz PIELGXQZHYGEDG-LLVKDONJSA-N 1 0 248.350 2.047 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1Cl ZINC001227117921 975273329 /nfs/dbraw/zinc/27/33/29/975273329.db2.gz LHUFJHWCYLTCFE-SECBINFHSA-N 1 0 229.731 2.209 20 5 BEBDRO Cc1cc(C)nc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227247608 975327248 /nfs/dbraw/zinc/32/72/48/975327248.db2.gz JONRXALALVUQAW-GFCCVEGCSA-N 1 0 223.340 2.172 20 5 BEBDRO Cc1cc(O)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227471518 975454621 /nfs/dbraw/zinc/45/46/21/975454621.db2.gz FLXLCBQCZRAYOO-LLVKDONJSA-O 1 0 224.324 2.174 20 5 BEBDRO C[N@@H+]1CCC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227481384 975461342 /nfs/dbraw/zinc/46/13/42/975461342.db2.gz VCIVVHKTGOBNKE-JTQLQIEISA-N 1 0 236.271 2.068 20 5 BEBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001333441994 975784335 /nfs/dbraw/zinc/78/43/35/975784335.db2.gz LBPKJBOULDQKPX-NWDGAFQWSA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2[nH]ccc2cc1O ZINC001228038217 975864711 /nfs/dbraw/zinc/86/47/11/975864711.db2.gz RBKQENYLOYNNQX-JTQLQIEISA-O 1 0 249.334 2.347 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC001334159940 976344522 /nfs/dbraw/zinc/34/45/22/976344522.db2.gz KORHVEKVUVMNCA-GHMZBOCLSA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2nccnc2c1 ZINC001228607462 976378916 /nfs/dbraw/zinc/37/89/16/976378916.db2.gz VQJAYXUCKMQCPJ-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO COc1ccc(C)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228730718 976463492 /nfs/dbraw/zinc/46/34/92/976463492.db2.gz IBHBCSNTIXMLCP-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO COc1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228791174 976500706 /nfs/dbraw/zinc/50/07/06/976500706.db2.gz NZRFRTGMMHXDLG-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO Cc1cn2cccc(O[C@@H](C)C[N+](C)(C)C)c2n1 ZINC001228844182 976519965 /nfs/dbraw/zinc/51/99/65/976519965.db2.gz ZQRMTJVFMNRNFN-LBPRGKRZSA-N 1 0 248.350 2.116 20 5 BEBDRO CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC001334755517 976623782 /nfs/dbraw/zinc/62/37/82/976623782.db2.gz QKHRALOAEXGYBP-QMMMGPOBSA-N 1 0 224.260 2.274 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C2CC2)cn1 ZINC001228999850 976635613 /nfs/dbraw/zinc/63/56/13/976635613.db2.gz DRPGGFDZUBFPOT-NSHDSACASA-N 1 0 235.351 2.433 20 5 BEBDRO Cn1c[nH+]cc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477079 976796232 /nfs/dbraw/zinc/79/62/32/976796232.db2.gz KRYPISHNIZXOIJ-UHFFFAOYSA-N 1 0 218.216 2.072 20 5 BEBDRO Cc1[nH+]cn(C)c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477314 976796380 /nfs/dbraw/zinc/79/63/80/976796380.db2.gz JSXBDMCFLPQNAK-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO Cc1cc2n[nH]cc2cc1O[C@H](C)C[N+](C)(C)C ZINC001230225008 977134333 /nfs/dbraw/zinc/13/43/33/977134333.db2.gz FKUNLQQJZFREKG-LLVKDONJSA-N 1 0 248.350 2.345 20 5 BEBDRO CCc1cccc(O)c1O[C@@H](C)C[N+](C)(C)C ZINC001230377734 977201165 /nfs/dbraw/zinc/20/11/65/977201165.db2.gz YFOLVSIFCPMFEW-NSHDSACASA-O 1 0 238.351 2.428 20 5 BEBDRO Cn1c[nH+]cc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175733488 977668960 /nfs/dbraw/zinc/66/89/60/977668960.db2.gz DETAOKCMJVPFIB-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc2n[nH]cc21 ZINC001233744800 978683338 /nfs/dbraw/zinc/68/33/38/978683338.db2.gz YXATVAQSQOJJNZ-LLVKDONJSA-N 1 0 248.350 2.345 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(O)c1F ZINC001233873251 978719663 /nfs/dbraw/zinc/71/96/63/978719663.db2.gz XCEJIRUJMHJJFC-VIFPVBQESA-O 1 0 228.287 2.005 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC12CCCCC2 ZINC001340679663 979060234 /nfs/dbraw/zinc/06/02/34/979060234.db2.gz SATUNRXVMPZYDZ-UHFFFAOYSA-N 1 0 212.293 2.062 20 5 BEBDRO Cc1cccc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)c1 ZINC001341025451 979197411 /nfs/dbraw/zinc/19/74/11/979197411.db2.gz OCHUGKIMRGIWBS-ZDUSSCGKSA-N 1 0 234.299 2.061 20 5 BEBDRO CCc1ccc(C(C)(C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001354486232 983312954 /nfs/dbraw/zinc/31/29/54/983312954.db2.gz OFHBCSUPVNIEKH-UHFFFAOYSA-N 1 0 236.315 2.350 20 5 BEBDRO Nc1c[nH+]cn1-c1ccc([N+](=O)[O-])cc1Cl ZINC001248598065 989118931 /nfs/dbraw/zinc/11/89/31/989118931.db2.gz GOGVXOVKSSLISZ-UHFFFAOYSA-N 1 0 238.634 2.016 20 5 BEBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001119741822 989377884 /nfs/dbraw/zinc/37/78/84/989377884.db2.gz FFYHKKKUWLKIBY-UWVGGRQHSA-N 1 0 214.309 2.068 20 5 BEBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC001119819702 989428218 /nfs/dbraw/zinc/42/82/18/989428218.db2.gz UOIDLUVCEOYDQY-ZDUSSCGKSA-N 1 0 234.299 2.100 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC1 ZINC000183266321 178271326 /nfs/dbraw/zinc/27/13/26/178271326.db2.gz MLYFHFITHWOSNT-UHFFFAOYSA-N 1 0 220.272 2.497 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCCCC[NH3+] ZINC000037715053 178272702 /nfs/dbraw/zinc/27/27/02/178272702.db2.gz FYOKIVFIXPPTPE-UHFFFAOYSA-N 1 0 223.276 2.054 20 5 BEBDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268088 398319473 /nfs/dbraw/zinc/31/94/73/398319473.db2.gz QRHPWWIGTIRLKX-WCABBAIRSA-N 1 0 249.314 2.484 20 5 BEBDRO CC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000289857559 398342889 /nfs/dbraw/zinc/34/28/89/398342889.db2.gz QAYADDIROPNCGK-GFCCVEGCSA-N 1 0 238.287 2.109 20 5 BEBDRO Cc1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043326462 343051221 /nfs/dbraw/zinc/05/12/21/343051221.db2.gz PTQDRLUCCUWJQM-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1cccc(N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000261551792 136272537 /nfs/dbraw/zinc/27/25/37/136272537.db2.gz YDZBSOULXBAUEX-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc[nH]c2)c1 ZINC000340107309 136286224 /nfs/dbraw/zinc/28/62/24/136286224.db2.gz WFAHZKYEESSPHK-UHFFFAOYSA-N 1 0 245.282 2.255 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]1 ZINC000166826287 136364388 /nfs/dbraw/zinc/36/43/88/136364388.db2.gz DRPJZRINAVRFPV-LLVKDONJSA-N 1 0 249.314 2.457 20 5 BEBDRO CSCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000176448337 365762572 /nfs/dbraw/zinc/76/25/72/365762572.db2.gz ILMDPWDKEXJDMO-UHFFFAOYSA-N 1 0 240.328 2.390 20 5 BEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000049558669 343602595 /nfs/dbraw/zinc/60/25/95/343602595.db2.gz MJTFQUWDWSZBKI-JTQLQIEISA-N 1 0 237.303 2.347 20 5 BEBDRO CC1(C)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044371132 345043341 /nfs/dbraw/zinc/04/33/41/345043341.db2.gz ZIILLSVUQDSWKT-LLVKDONJSA-N 1 0 220.272 2.483 20 5 BEBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[NH2+]C1 ZINC000044502781 345099523 /nfs/dbraw/zinc/09/95/23/345099523.db2.gz ONDJZZSZVXCMDD-JTQLQIEISA-N 1 0 235.287 2.006 20 5 BEBDRO CC(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000175583983 187306116 /nfs/dbraw/zinc/30/61/16/187306116.db2.gz DOVVCOKHGURECB-UHFFFAOYSA-N 1 0 208.261 2.435 20 5 BEBDRO Cc1cccc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000235937796 346171218 /nfs/dbraw/zinc/17/12/18/346171218.db2.gz IOPSOJFFGFJCEI-NSHDSACASA-N 1 0 249.314 2.457 20 5 BEBDRO Cc1cccc(N[C@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000235303898 179157899 /nfs/dbraw/zinc/15/78/99/179157899.db2.gz LHFSKUDNODBTNX-QWRGUYRKSA-N 1 0 249.314 2.456 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228162801 179206075 /nfs/dbraw/zinc/20/60/75/179206075.db2.gz WASUJSUQWAKFJW-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC1 ZINC000581199423 347278092 /nfs/dbraw/zinc/27/80/92/347278092.db2.gz ICJOTEIIVBNSBW-LLVKDONJSA-N 1 0 218.256 2.334 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000594984100 348164894 /nfs/dbraw/zinc/16/48/94/348164894.db2.gz FVMHLPVWTZLHNO-ITGUQSILSA-N 1 0 232.283 2.483 20 5 BEBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596245414 348485996 /nfs/dbraw/zinc/48/59/96/348485996.db2.gz ZDMAQDRLYUOIFL-ZETCQYMHSA-N 1 0 243.332 2.327 20 5 BEBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])s1 ZINC000309521900 350696694 /nfs/dbraw/zinc/69/66/94/350696694.db2.gz CERZEOYCWGJYKH-MRVPVSSYSA-N 1 0 243.332 2.408 20 5 BEBDRO CC(C)=CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343773620 350994577 /nfs/dbraw/zinc/99/45/77/350994577.db2.gz UGLIDEKRFCJWHW-UHFFFAOYSA-N 1 0 247.298 2.314 20 5 BEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCCC2)c1 ZINC000052991243 352581201 /nfs/dbraw/zinc/58/12/01/352581201.db2.gz PZKXNBJDNJAYJM-UHFFFAOYSA-N 1 0 236.271 2.069 20 5 BEBDRO COc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052287981 188299496 /nfs/dbraw/zinc/29/94/96/188299496.db2.gz HEXDSPNRRSYOSU-WPRPVWTQSA-N 1 0 236.271 2.101 20 5 BEBDRO Cc1cccc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000227537181 188360651 /nfs/dbraw/zinc/36/06/51/188360651.db2.gz YVIRUKSLIOBTAH-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC23CC3)cc1 ZINC000418094339 191967532 /nfs/dbraw/zinc/96/75/32/191967532.db2.gz KEKJEHXETDAJEU-LLVKDONJSA-N 1 0 232.283 2.485 20 5 BEBDRO CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000063761914 356425924 /nfs/dbraw/zinc/42/59/24/356425924.db2.gz OUOQZRJIPXMCGU-UHFFFAOYSA-N 1 0 238.287 2.445 20 5 BEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000420635273 192252349 /nfs/dbraw/zinc/25/23/49/192252349.db2.gz LYPNWAMLYMIFRF-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000059370418 368531679 /nfs/dbraw/zinc/53/16/79/368531679.db2.gz IVWXQPIDTPGYIH-UHFFFAOYSA-N 1 0 249.314 2.045 20 5 BEBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000020524996 371288449 /nfs/dbraw/zinc/28/84/49/371288449.db2.gz NKJXTDUIJJNTFO-UHFFFAOYSA-N 1 0 244.678 2.237 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC=CC2)cc1 ZINC000125451204 371353150 /nfs/dbraw/zinc/35/31/50/371353150.db2.gz UDOHQSPNKYOPGO-UHFFFAOYSA-N 1 0 232.283 2.446 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC=CC2)c1 ZINC000131201601 371568711 /nfs/dbraw/zinc/56/87/11/371568711.db2.gz RLNDNMDZEAOZRO-UHFFFAOYSA-N 1 0 218.256 2.403 20 5 BEBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000603407434 371891038 /nfs/dbraw/zinc/89/10/38/371891038.db2.gz SHPKVKUSDRLJOP-CHWSQXEVSA-N 1 0 249.314 2.489 20 5 BEBDRO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CC[NH2+]C1 ZINC000236048785 182945423 /nfs/dbraw/zinc/94/54/23/182945423.db2.gz OVAXWPFFWWIWOP-SSDOTTSWSA-N 1 0 241.678 2.022 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000342245835 182945701 /nfs/dbraw/zinc/94/57/01/182945701.db2.gz ZJIFQWSHISICOB-UWVGGRQHSA-N 1 0 242.225 2.338 20 5 BEBDRO Cc1ccc(C[NH2+][C@@H](C)CF)cc1[N+](=O)[O-] ZINC000288499154 383898523 /nfs/dbraw/zinc/89/85/23/383898523.db2.gz RSHMCCIPHDZKSA-VIFPVBQESA-N 1 0 226.251 2.351 20 5 BEBDRO Cc1c(CN2CC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000336259769 384189603 /nfs/dbraw/zinc/18/96/03/384189603.db2.gz SJNHYESWKPQFLW-LLVKDONJSA-N 1 0 238.262 2.447 20 5 BEBDRO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000286323135 384270823 /nfs/dbraw/zinc/27/08/23/384270823.db2.gz ZVHDGHYGGIUDDU-MRVPVSSYSA-N 1 0 241.266 2.096 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000094659410 384309187 /nfs/dbraw/zinc/30/91/87/384309187.db2.gz LLORHOYTXRXTDI-LLVKDONJSA-N 1 0 249.314 2.267 20 5 BEBDRO C[C@H](CSc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000358876054 384346789 /nfs/dbraw/zinc/34/67/89/384346789.db2.gz BMSQVYLBQKCMNB-MRVPVSSYSA-N 1 0 241.316 2.032 20 5 BEBDRO CC[N@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726516 384866165 /nfs/dbraw/zinc/86/61/65/384866165.db2.gz OFZKLFAJXMLBNL-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO CO[C@H](C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263769553 385138751 /nfs/dbraw/zinc/13/87/51/385138751.db2.gz CMEQDVIIYLFABK-SNVBAGLBSA-N 1 0 238.287 2.109 20 5 BEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000189113038 385100884 /nfs/dbraw/zinc/10/08/84/385100884.db2.gz BYDQLAPBHRYCCE-JGVFFNPUSA-N 1 0 244.316 2.169 20 5 BEBDRO CSCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000068997616 385186371 /nfs/dbraw/zinc/18/63/71/385186371.db2.gz IANMNASIHGZVSK-UHFFFAOYSA-N 1 0 246.357 2.499 20 5 BEBDRO Cc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052273908 385714487 /nfs/dbraw/zinc/71/44/87/385714487.db2.gz GBFDEEYIOSVEOQ-KOLCDFICSA-N 1 0 220.272 2.401 20 5 BEBDRO CO[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428353 385861987 /nfs/dbraw/zinc/86/19/87/385861987.db2.gz BNCARZSGVCFWNJ-NXEZZACHSA-N 1 0 238.287 2.280 20 5 BEBDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000087010521 385982051 /nfs/dbraw/zinc/98/20/51/385982051.db2.gz OCZRLTUJGRHTFN-SECBINFHSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)cc1 ZINC000342213436 385959042 /nfs/dbraw/zinc/95/90/42/385959042.db2.gz NZYQVMTYISWJHO-NXEZZACHSA-N 1 0 242.225 2.338 20 5 BEBDRO CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000299144212 386420087 /nfs/dbraw/zinc/42/00/87/386420087.db2.gz URYXUMRGLQEZIQ-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](F)C1 ZINC000335405424 386564378 /nfs/dbraw/zinc/56/43/78/386564378.db2.gz AAQCKDDHMKMBKQ-LLVKDONJSA-N 1 0 238.262 2.447 20 5 BEBDRO C[N@H+](CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058938194 386607479 /nfs/dbraw/zinc/60/74/79/386607479.db2.gz AKAMKAJDRKNTLX-UHFFFAOYSA-N 1 0 235.287 2.101 20 5 BEBDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000085984299 386696584 /nfs/dbraw/zinc/69/65/84/386696584.db2.gz WOSBGXSEVOKQGP-VHSXEESVSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[C@H]1CC[NH2+]C1 ZINC000104353374 387002776 /nfs/dbraw/zinc/00/27/76/387002776.db2.gz YJYLRPUNHPFHOQ-SNVBAGLBSA-N 1 0 235.287 2.006 20 5 BEBDRO Cc1ccc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110798299 387069398 /nfs/dbraw/zinc/06/93/98/387069398.db2.gz YRMKWLMXGKLLEL-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000168937215 387372496 /nfs/dbraw/zinc/37/24/96/387372496.db2.gz IAWYKTYIYXDRIE-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO O=[N+]([O-])c1cnc(N2CCc3c[nH+]ccc32)s1 ZINC000192478524 387376670 /nfs/dbraw/zinc/37/66/70/387376670.db2.gz FTFMFPGZANTRBH-UHFFFAOYSA-N 1 0 248.267 2.141 20 5 BEBDRO COC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648658 387381537 /nfs/dbraw/zinc/38/15/37/387381537.db2.gz AZBQHYJGZAFYEJ-SECBINFHSA-N 1 0 238.287 2.028 20 5 BEBDRO CCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036228326 387884099 /nfs/dbraw/zinc/88/40/99/387884099.db2.gz JKKLYDSSLRRTKT-SNVBAGLBSA-N 1 0 238.287 2.282 20 5 BEBDRO CC[C@@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000036721137 388257613 /nfs/dbraw/zinc/25/76/13/388257613.db2.gz ROPZYGMCWZBZGD-GFCCVEGCSA-N 1 0 238.287 2.018 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227949283 388373893 /nfs/dbraw/zinc/37/38/93/388373893.db2.gz NDBJNUBGMKLDLD-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)nc1 ZINC000175004856 388444473 /nfs/dbraw/zinc/44/44/73/388444473.db2.gz KPBFWZGNYXONEU-UHFFFAOYSA-N 1 0 242.238 2.079 20 5 BEBDRO C[NH+](C)CCSc1ccccc1[N+](=O)[O-] ZINC000301589204 388596285 /nfs/dbraw/zinc/59/62/85/388596285.db2.gz CHBAIUMHTYYKHB-UHFFFAOYSA-N 1 0 226.301 2.249 20 5 BEBDRO C[C@@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000078514720 388681763 /nfs/dbraw/zinc/68/17/63/388681763.db2.gz SJIKPPCFSYXGME-SECBINFHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@@H](CF)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329511 388748197 /nfs/dbraw/zinc/74/81/97/388748197.db2.gz IHJLONUJOXFSPP-UWVGGRQHSA-N 1 0 240.278 2.473 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC23CC3)cs1 ZINC000424184093 388695004 /nfs/dbraw/zinc/69/50/04/388695004.db2.gz LEHNHKCEMQHEAC-MRVPVSSYSA-N 1 0 224.285 2.298 20 5 BEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)cc1 ZINC000280307430 388782538 /nfs/dbraw/zinc/78/25/38/388782538.db2.gz RWVKPPWNRQWBQZ-UHFFFAOYSA-N 1 0 247.298 2.269 20 5 BEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH3+])C1 ZINC000217506870 134249173 /nfs/dbraw/zinc/24/91/73/134249173.db2.gz ACGGEVIZFILDLD-WDEREUQCSA-N 1 0 249.314 2.079 20 5 BEBDRO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1 ZINC000070533581 134919582 /nfs/dbraw/zinc/91/95/82/134919582.db2.gz RWDLQBFQUJBGGS-NSHDSACASA-N 1 0 237.303 2.380 20 5 BEBDRO Cc1cccc(N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261581315 135222228 /nfs/dbraw/zinc/22/22/28/135222228.db2.gz QOKYRMKALASTEH-CYBMUJFWSA-N 1 0 249.314 2.078 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000261594953 135235020 /nfs/dbraw/zinc/23/50/20/135235020.db2.gz XVWDGHYCYBDUIS-BDAKNGLRSA-N 1 0 223.276 2.051 20 5 BEBDRO CC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC000063034276 1172795773 /nfs/dbraw/zinc/79/57/73/1172795773.db2.gz NBQQFXXTVHUSNE-VIFPVBQESA-N 1 0 238.287 2.144 20 5 BEBDRO CC1(CNc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000129441555 168049013 /nfs/dbraw/zinc/04/90/13/168049013.db2.gz JPWBSYDBKHYPOO-UHFFFAOYSA-N 1 0 249.314 2.396 20 5 BEBDRO CC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000158676812 168147270 /nfs/dbraw/zinc/14/72/70/168147270.db2.gz PZXCQPXXPDXJAM-UHFFFAOYSA-N 1 0 220.272 2.483 20 5 BEBDRO CC[N@@H+]1CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000090459502 170021894 /nfs/dbraw/zinc/02/18/94/170021894.db2.gz YYINYPJMPZOOKZ-JTQLQIEISA-N 1 0 236.271 2.068 20 5 BEBDRO CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000336764438 170107425 /nfs/dbraw/zinc/10/74/25/170107425.db2.gz PYGQQFLWAVWKRP-UHFFFAOYSA-N 1 0 208.261 2.439 20 5 BEBDRO CCOCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472326 170381708 /nfs/dbraw/zinc/38/17/08/170381708.db2.gz ASPCJBCKNWZKGG-UHFFFAOYSA-N 1 0 244.316 2.173 20 5 BEBDRO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000152197686 170390836 /nfs/dbraw/zinc/39/08/36/170390836.db2.gz XQMDWIPLAWHKBZ-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000129565668 173363856 /nfs/dbraw/zinc/36/38/56/173363856.db2.gz OLKYMQCEWCSYLR-SNVBAGLBSA-N 1 0 237.303 2.171 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000129521815 173364357 /nfs/dbraw/zinc/36/43/57/173364357.db2.gz QUZHKJZCNAYBOH-SECBINFHSA-N 1 0 237.303 2.171 20 5 BEBDRO CO[C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000336665805 174816507 /nfs/dbraw/zinc/81/65/07/174816507.db2.gz ZEHNOWBXVRBVFV-SNVBAGLBSA-N 1 0 238.287 2.109 20 5 BEBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309459009 176216750 /nfs/dbraw/zinc/21/67/50/176216750.db2.gz TXNMFSDMWRXKMJ-SKDRFNHKSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H]([NH2+]C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294762425 176829599 /nfs/dbraw/zinc/82/95/99/176829599.db2.gz MOMQEUBWGSNUJN-QMMMGPOBSA-N 1 0 235.287 2.380 20 5 BEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163645 176933775 /nfs/dbraw/zinc/93/37/75/176933775.db2.gz IUAXLEJIRZXEJR-WDEREUQCSA-N 1 0 249.314 2.395 20 5 BEBDRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000309309142 177207474 /nfs/dbraw/zinc/20/74/74/177207474.db2.gz NULAHIYHNDCCCP-JOYOIKCWSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H]1C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052272244 177349878 /nfs/dbraw/zinc/34/98/78/177349878.db2.gz XTHBXAHCYVEIQS-KWQFWETISA-N 1 0 206.245 2.093 20 5 BEBDRO C[C@H]1C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000136336931 177381561 /nfs/dbraw/zinc/38/15/61/177381561.db2.gz RDBPKBUCUDQPJN-ONGXEEELSA-N 1 0 220.272 2.340 20 5 BEBDRO COCC(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000076495651 325346958 /nfs/dbraw/zinc/34/69/58/325346958.db2.gz CRRNCWPMZIPBIX-UHFFFAOYSA-N 1 0 238.287 2.109 20 5 BEBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293525755 490268990 /nfs/dbraw/zinc/26/89/90/490268990.db2.gz WLPWHAUABDDJLV-MNOVXSKESA-N 1 0 234.299 2.478 20 5 BEBDRO CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040936459 534934652 /nfs/dbraw/zinc/93/46/52/534934652.db2.gz GBUODOVXKRXQOX-UHFFFAOYSA-N 1 0 249.314 2.127 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C=CCC1 ZINC000829348216 582856545 /nfs/dbraw/zinc/85/65/45/582856545.db2.gz RJYQDRGKBFCMGJ-NSHDSACASA-N 1 0 218.256 2.403 20 5 BEBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791053002 583385438 /nfs/dbraw/zinc/38/54/38/583385438.db2.gz RLDMPECOHVSBNG-AWEZNQCLSA-N 1 0 248.326 2.279 20 5 BEBDRO CCCCCC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000899858826 584242420 /nfs/dbraw/zinc/24/24/20/584242420.db2.gz CKFHSVCSRQYSFS-JTQLQIEISA-N 1 0 202.298 2.212 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCCC1CCCCC1 ZINC000899870397 584244849 /nfs/dbraw/zinc/24/48/49/584244849.db2.gz MSFKQGJFHWVHBE-UHFFFAOYSA-N 1 0 214.309 2.213 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2)CCCC1 ZINC000899865302 584245624 /nfs/dbraw/zinc/24/56/24/584245624.db2.gz QAWGQELIGMRESZ-UHFFFAOYSA-N 1 0 248.326 2.365 20 5 BEBDRO CC(C)[C@@H]1[N@H+](CC[N+](=O)[O-])CC12CCCC2 ZINC000899888189 584247480 /nfs/dbraw/zinc/24/74/80/584247480.db2.gz ZDHAIZDTISGECQ-NSHDSACASA-N 1 0 226.320 2.164 20 5 BEBDRO C[C@H]1CCC[C@@H](C2C[NH+](CC[N+](=O)[O-])C2)C1 ZINC000899893133 584248790 /nfs/dbraw/zinc/24/87/90/584248790.db2.gz LNJFPBBJUIHKNB-WDEREUQCSA-N 1 0 226.320 2.021 20 5 BEBDRO C[C@@H]1CCC[C@H](C2C[NH+](CC[N+](=O)[O-])C2)C1 ZINC000899893126 584248960 /nfs/dbraw/zinc/24/89/60/584248960.db2.gz LNJFPBBJUIHKNB-MNOVXSKESA-N 1 0 226.320 2.021 20 5 BEBDRO [NH3+]CCCc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901394387 584438007 /nfs/dbraw/zinc/43/80/07/584438007.db2.gz FWYADRMFIQGVDU-UHFFFAOYSA-N 1 0 247.254 2.141 20 5 BEBDRO C[C@@H]1C[NH+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886028610 585036292 /nfs/dbraw/zinc/03/62/92/585036292.db2.gz TZHVIKXRKZQRDQ-NXEZZACHSA-N 1 0 235.287 2.078 20 5 BEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000761095424 585408638 /nfs/dbraw/zinc/40/86/38/585408638.db2.gz OYRKNLDTQWBZOS-MFKMUULPSA-N 1 0 248.282 2.068 20 5 BEBDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000761100116 585409129 /nfs/dbraw/zinc/40/91/29/585409129.db2.gz YHQCMWBPIDXZOJ-WDEREUQCSA-N 1 0 248.282 2.198 20 5 BEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774536839 585660975 /nfs/dbraw/zinc/66/09/75/585660975.db2.gz MWYQZOTVDSARTG-WDEREUQCSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000774536806 585660983 /nfs/dbraw/zinc/66/09/83/585660983.db2.gz MPLOWHRSQOOCON-QWRGUYRKSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355846 586888196 /nfs/dbraw/zinc/88/81/96/586888196.db2.gz JUSHDMXNUGSXRD-PELKAZGASA-N 1 0 247.298 2.380 20 5 BEBDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877649612 590384205 /nfs/dbraw/zinc/38/42/05/590384205.db2.gz CEJFTNQYNACWPD-TXEJJXNPSA-N 1 0 232.283 2.355 20 5 BEBDRO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956356 592114438 /nfs/dbraw/zinc/11/44/38/592114438.db2.gz NSDNLMVHNMZODM-UHFFFAOYSA-N 1 0 235.287 2.363 20 5 BEBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886169833 592168607 /nfs/dbraw/zinc/16/86/07/592168607.db2.gz JPBIENYNCAIGIQ-KOLCDFICSA-N 1 0 235.287 2.268 20 5 BEBDRO C[NH2+]CCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051625559 631821369 /nfs/dbraw/zinc/82/13/69/631821369.db2.gz XSQZPVBYQPPLOQ-UHFFFAOYSA-N 1 0 244.678 2.237 20 5 BEBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000309393893 632022267 /nfs/dbraw/zinc/02/22/67/632022267.db2.gz UYRXWVFVGQHANN-LBPRGKRZSA-N 1 0 222.288 2.250 20 5 BEBDRO Cc1ccc(N[C@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000229608428 632982711 /nfs/dbraw/zinc/98/27/11/632982711.db2.gz KCFFFUUTGVUPHG-MNOVXSKESA-N 1 0 249.314 2.456 20 5 BEBDRO CCCCCC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905159538 637639252 /nfs/dbraw/zinc/63/92/52/637639252.db2.gz MOKKALLZSMHIKA-UHFFFAOYSA-N 1 0 216.325 2.459 20 5 BEBDRO C[C@H](CCC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905127152 637641328 /nfs/dbraw/zinc/64/13/28/637641328.db2.gz JLNKCMAZFHFRBK-SECBINFHSA-N 1 0 202.298 2.068 20 5 BEBDRO CCCC[C@@H](CCC)C[NH2+]CC[N+](=O)[O-] ZINC000905160364 637642823 /nfs/dbraw/zinc/64/28/23/637642823.db2.gz PQYRGXXVWXWPIH-LLVKDONJSA-N 1 0 216.325 2.459 20 5 BEBDRO CC1(C)C[C@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905178264 637684870 /nfs/dbraw/zinc/68/48/70/637684870.db2.gz UQTMNSLWWRQBLA-LBPRGKRZSA-N 1 0 234.299 2.275 20 5 BEBDRO CCC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905212406 637698322 /nfs/dbraw/zinc/69/83/22/637698322.db2.gz LDMIYJAPLLUWQK-UHFFFAOYSA-N 1 0 214.309 2.213 20 5 BEBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1=CCCCC1 ZINC000905220592 637702424 /nfs/dbraw/zinc/70/24/24/637702424.db2.gz SWQBLGFXSLXUOV-UHFFFAOYSA-N 1 0 226.320 2.379 20 5 BEBDRO CC1CCC(C)(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905249598 637708797 /nfs/dbraw/zinc/70/87/97/637708797.db2.gz TXBJQJGVWXEROI-UHFFFAOYSA-N 1 0 214.309 2.069 20 5 BEBDRO CCOc1cccc([C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930210634 639636027 /nfs/dbraw/zinc/63/60/27/639636027.db2.gz HSZMIXNJXUYYHS-SNVBAGLBSA-N 1 0 238.287 2.013 20 5 BEBDRO CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648818 639794769 /nfs/dbraw/zinc/79/47/69/639794769.db2.gz JSWYMRASMBFEAA-UHFFFAOYSA-N 1 0 208.261 2.403 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000931067276 640056749 /nfs/dbraw/zinc/05/67/49/640056749.db2.gz OGSPBGDXWGXXJK-GFCCVEGCSA-N 1 0 226.320 2.308 20 5 BEBDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000931693659 640319886 /nfs/dbraw/zinc/31/98/86/640319886.db2.gz DXRNLWXRLRFPDN-ZDUSSCGKSA-N 1 0 234.299 2.274 20 5 BEBDRO CO[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000224210767 640606441 /nfs/dbraw/zinc/60/64/41/640606441.db2.gz GGKZUWBGLKPFJA-VIFPVBQESA-N 1 0 238.287 2.028 20 5 BEBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929694730 641400022 /nfs/dbraw/zinc/40/00/22/641400022.db2.gz ZEGOJGYQGLWOHG-WDEREUQCSA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@H]([N@H+](C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000914569087 641737482 /nfs/dbraw/zinc/73/74/82/641737482.db2.gz SBNNMSOTJJYTNM-VIFPVBQESA-N 1 0 240.307 2.115 20 5 BEBDRO C[C@H](CCO)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000098005682 642654854 /nfs/dbraw/zinc/65/48/54/642654854.db2.gz RPDUIOABVBVSFC-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO CCCC[NH+](CCCC)CC[N+](=O)[O-] ZINC000929141261 645968911 /nfs/dbraw/zinc/96/89/11/645968911.db2.gz DERPXYVNABTSQY-UHFFFAOYSA-N 1 0 202.298 2.165 20 5 BEBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000929260201 646042789 /nfs/dbraw/zinc/04/27/89/646042789.db2.gz VIZKDHIOWGMACQ-IJLUTSLNSA-N 1 0 226.320 2.164 20 5 BEBDRO CC[C@H]1c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929648985 646219331 /nfs/dbraw/zinc/21/93/31/646219331.db2.gz BKNQENIHAZEWRD-ZDUSSCGKSA-N 1 0 234.299 2.273 20 5 BEBDRO Cc1ccc(C[C@H](C)[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929685991 646243207 /nfs/dbraw/zinc/24/32/07/646243207.db2.gz RLADJBLGALETPL-LBPRGKRZSA-N 1 0 236.315 2.135 20 5 BEBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000929960481 646379794 /nfs/dbraw/zinc/37/97/94/646379794.db2.gz DITTXIWIJASNJF-MNOVXSKESA-N 1 0 228.336 2.458 20 5 BEBDRO CC1(c2ccccc2)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930080823 646424939 /nfs/dbraw/zinc/42/49/39/646424939.db2.gz VUWYMUCTECTVGO-UHFFFAOYSA-N 1 0 248.326 2.317 20 5 BEBDRO Cc1c(C[NH2+][C@@H](C)CF)cccc1[N+](=O)[O-] ZINC000702548234 712055043 /nfs/dbraw/zinc/05/50/43/712055043.db2.gz RSYZEIOOLPAJLW-QMMMGPOBSA-N 1 0 226.251 2.351 20 5 BEBDRO Cc1ccc([C@H](C)[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000791053762 712422196 /nfs/dbraw/zinc/42/21/96/712422196.db2.gz OYWHDXYNHXJLIR-NSHDSACASA-N 1 0 222.288 2.265 20 5 BEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000712606672 712437486 /nfs/dbraw/zinc/43/74/86/712437486.db2.gz NPOXZIQANOULMO-GFCCVEGCSA-N 1 0 249.314 2.409 20 5 BEBDRO CC[N@@H+]1CC[C@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000712612817 712438181 /nfs/dbraw/zinc/43/81/81/712438181.db2.gz CXBWNQAWXBRXEL-NSHDSACASA-N 1 0 249.314 2.409 20 5 BEBDRO CCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722089 712481614 /nfs/dbraw/zinc/48/16/14/712481614.db2.gz WDXBKNSOBSMLQH-UHFFFAOYSA-N 1 0 238.287 2.493 20 5 BEBDRO C[C@H]1[C@H](Nc2ccsc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719597364 712813143 /nfs/dbraw/zinc/81/31/43/712813143.db2.gz HAVVSFKWVVALTF-JGVFFNPUSA-N 1 0 241.316 2.161 20 5 BEBDRO Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719622550 712817780 /nfs/dbraw/zinc/81/77/80/712817780.db2.gz GOPYAUOUFYVCSF-GHMZBOCLSA-N 1 0 249.314 2.408 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCC(F)CC2)C1 ZINC001168964213 969314611 /nfs/dbraw/zinc/31/46/11/969314611.db2.gz RUTQTDARACGENX-YYJSSNLHSA-N 1 0 244.310 2.302 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC001169009771 969332460 /nfs/dbraw/zinc/33/24/60/969332460.db2.gz YDOKAEUEIDWPMD-UWVGGRQHSA-N 1 0 248.273 2.163 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCCCCC2)C1 ZINC001169009681 969332652 /nfs/dbraw/zinc/33/26/52/969332652.db2.gz XGRUKJQSHDQVLL-VXGBXAGGSA-N 1 0 226.320 2.308 20 5 BEBDRO CCCC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009477 969335528 /nfs/dbraw/zinc/33/55/28/969335528.db2.gz WKKVOZVQYVARIE-WDEREUQCSA-N 1 0 214.309 2.164 20 5 BEBDRO C[N@H+](C1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037718 969356482 /nfs/dbraw/zinc/35/64/82/969356482.db2.gz TWKHQDKJLKGBOH-CMPLNLGQSA-N 1 0 226.320 2.306 20 5 BEBDRO C[N@H+](CC1CCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037513 969357474 /nfs/dbraw/zinc/35/74/74/969357474.db2.gz SAGGHOYXWCOSCE-NWDGAFQWSA-N 1 0 226.320 2.164 20 5 BEBDRO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019835 969361453 /nfs/dbraw/zinc/36/14/53/969361453.db2.gz JVDSKROXNDDULC-GARJFASQSA-N 1 0 214.309 2.162 20 5 BEBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169026384 969365436 /nfs/dbraw/zinc/36/54/36/969365436.db2.gz LMXYZVQWBYHOCR-UWVGGRQHSA-N 1 0 214.309 2.162 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1F ZINC001233915078 978727338 /nfs/dbraw/zinc/72/73/38/978727338.db2.gz HRLAINGKYKMBNG-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO Cc1cc([N+](=O)[O-])cc(NCC(C)(C)[NH3+])c1F ZINC001171194460 972848708 /nfs/dbraw/zinc/84/87/08/972848708.db2.gz OFQFURCZFRJOKR-UHFFFAOYSA-N 1 0 241.266 2.192 20 5 BEBDRO Cc1ncc(CO[C@@H](C)C[N+](C)(C)C)s1 ZINC001223542522 973158489 /nfs/dbraw/zinc/15/84/89/973158489.db2.gz UHPFGFYKRXBYPL-VIFPVBQESA-N 1 0 229.369 2.063 20 5 BEBDRO C[C@H](OCC[N+](C)(C)C)C1CCCC1 ZINC001224772570 973939203 /nfs/dbraw/zinc/93/92/03/973939203.db2.gz AJLVKVKYOVOIPI-NSHDSACASA-N 1 0 200.346 2.288 20 5 BEBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cc[nH+]cc1 ZINC001210950538 957958653 /nfs/dbraw/zinc/95/86/53/957958653.db2.gz XXHGOGMUXZZZSF-UHFFFAOYSA-N 1 0 233.202 2.294 20 5 BEBDRO O=[N+]([O-])/C=C/c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001218283632 959944062 /nfs/dbraw/zinc/94/40/62/959944062.db2.gz IPMQNNSGQBLFJK-BUUCAEBMSA-N 1 0 248.282 2.065 20 5 BEBDRO C[NH2+]CCNc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001167727087 960251101 /nfs/dbraw/zinc/25/11/01/960251101.db2.gz UKKJARVDRICETR-UHFFFAOYSA-N 1 0 243.694 2.188 20 5 BEBDRO C[C@@H](C[NH+](C)C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000713921871 963563876 /nfs/dbraw/zinc/56/38/76/963563876.db2.gz AGNRKLYKARKKAV-QMMMGPOBSA-N 1 0 242.250 2.063 20 5 BEBDRO C[N+](C)(C)CCCOC1CCCCC1 ZINC001224620808 964810386 /nfs/dbraw/zinc/81/03/86/964810386.db2.gz BVLQUXFPTOJEHO-UHFFFAOYSA-N 1 0 200.346 2.432 20 5 BEBDRO COc1ccccc1[C@H](C)OCC[N+](C)(C)C ZINC001224770956 964933863 /nfs/dbraw/zinc/93/38/63/964933863.db2.gz DCNQODQGACCRMV-LBPRGKRZSA-N 1 0 238.351 2.479 20 5 BEBDRO Cc1cc(C)c(N2CC[C@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC001164281819 965826401 /nfs/dbraw/zinc/82/64/01/965826401.db2.gz NYMJXNOIZPGGRU-NSHDSACASA-N 1 0 249.314 2.057 20 5 BEBDRO Cn1cc[nH+]c1Nc1cccc([N+](=O)[O-])c1 ZINC001204407851 966991023 /nfs/dbraw/zinc/99/10/23/966991023.db2.gz UXEZMTDEOBKSAP-UHFFFAOYSA-N 1 0 218.216 2.072 20 5 BEBDRO Cc1[nH+]cc(Nc2cccc([N+](=O)[O-])c2)n1C ZINC001204450667 967000808 /nfs/dbraw/zinc/00/08/08/967000808.db2.gz SSQNOSCFMSHTEJ-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978834 969297761 /nfs/dbraw/zinc/29/77/61/969297761.db2.gz UPHVYNCAFOLBFY-HBNTYKKESA-N 1 0 214.309 2.210 20 5 BEBDRO CC1(C)CC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168983428 969300231 /nfs/dbraw/zinc/30/02/31/969300231.db2.gz KADRFNWYIHFFGB-UWVGGRQHSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)C1 ZINC001168956353 969305031 /nfs/dbraw/zinc/30/50/31/969305031.db2.gz AYQUNVFYOWFVMA-NNYUYHANSA-N 1 0 244.310 2.160 20 5 BEBDRO CC(C)(C)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959592 969309196 /nfs/dbraw/zinc/30/91/96/969309196.db2.gz XFPLDUBQGKAIAB-QWRGUYRKSA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168963678 969315365 /nfs/dbraw/zinc/31/53/65/969315365.db2.gz PQLIWRHYTCKQTG-DMDPSCGWSA-N 1 0 249.314 2.178 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168963680 969315870 /nfs/dbraw/zinc/31/58/70/969315870.db2.gz PQLIWRHYTCKQTG-GVXVVHGQSA-N 1 0 249.314 2.178 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)C1 ZINC001168964208 969316626 /nfs/dbraw/zinc/31/66/26/969316626.db2.gz RUTQTDARACGENX-WISYIIOYSA-N 1 0 244.310 2.302 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC001168972488 969324749 /nfs/dbraw/zinc/32/47/49/969324749.db2.gz NBCVSSQCSCCRSX-KIJLLGNVSA-N 1 0 238.331 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001169007441 969332819 /nfs/dbraw/zinc/33/28/19/969332819.db2.gz NUHZLCKZWHHVKS-FVCCEPFGSA-N 1 0 238.331 2.164 20 5 BEBDRO CC1(F)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009488 969333046 /nfs/dbraw/zinc/33/30/46/969333046.db2.gz WMNQKCZNNHIXOF-WDEREUQCSA-N 1 0 244.310 2.256 20 5 BEBDRO CC[N@H+](C(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009688 969333859 /nfs/dbraw/zinc/33/38/59/969333859.db2.gz XGRYNJGKBDVLLS-QWRGUYRKSA-N 1 0 214.309 2.162 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CCCC3)C1 ZINC001169011585 969337565 /nfs/dbraw/zinc/33/75/65/969337565.db2.gz LGFHNSRWTHIMOP-RYUDHWBXSA-N 1 0 238.331 2.308 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC23CCCC3)C1 ZINC001169011019 969337687 /nfs/dbraw/zinc/33/76/87/969337687.db2.gz HJNXTSLUABWUON-NEPJUHHUSA-N 1 0 238.331 2.450 20 5 BEBDRO CC1CC([N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014002 969341410 /nfs/dbraw/zinc/34/14/10/969341410.db2.gz XOAZHOZIQNPJKU-BFUDSRACSA-N 1 0 226.320 2.162 20 5 BEBDRO CC1CC([N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014003 969343075 /nfs/dbraw/zinc/34/30/75/969343075.db2.gz XOAZHOZIQNPJKU-LVFLEHKBSA-N 1 0 226.320 2.162 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](CF)C2)C1 ZINC001169034976 969352780 /nfs/dbraw/zinc/35/27/80/969352780.db2.gz JDRSTHZANQUKMI-WOPDTQHZSA-N 1 0 244.310 2.113 20 5 BEBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039920 969355312 /nfs/dbraw/zinc/35/53/12/969355312.db2.gz VVFCWGGKZAVJMK-XQHKEYJVSA-N 1 0 240.347 2.410 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCCC23CC3)C1 ZINC001169038645 969357039 /nfs/dbraw/zinc/35/70/39/969357039.db2.gz JUQLEKKLSXSEJV-NEPJUHHUSA-N 1 0 238.331 2.450 20 5 BEBDRO C[N@H+](CC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038369 969357428 /nfs/dbraw/zinc/35/74/28/969357428.db2.gz YJCBEXMIMLIGOK-MNOVXSKESA-N 1 0 228.336 2.410 20 5 BEBDRO CC1(C)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026330 969363591 /nfs/dbraw/zinc/36/35/91/969363591.db2.gz KWRBLQVNESJQRZ-WDEREUQCSA-N 1 0 226.320 2.164 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1-n1ccc(C[NH3+])c1 ZINC001169726535 969820454 /nfs/dbraw/zinc/82/04/54/969820454.db2.gz XOYFLTMAJYOYFF-UHFFFAOYSA-N 1 0 231.255 2.153 20 5 BEBDRO Cn1c[nH+]cc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190885 970170317 /nfs/dbraw/zinc/17/03/17/970170317.db2.gz OZHMTJNPNSTHLV-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO C[C@@H](C[NH+](C)C)OCc1cccc([N+](=O)[O-])c1 ZINC001222769295 972689423 /nfs/dbraw/zinc/68/94/23/972689423.db2.gz TYGPIPAEYFOUME-JTQLQIEISA-N 1 0 238.287 2.062 20 5 BEBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC(C)(C)[NH3+] ZINC001171194455 972848653 /nfs/dbraw/zinc/84/86/53/972848653.db2.gz NZLQMPCDANLWAW-UHFFFAOYSA-N 1 0 241.266 2.192 20 5 BEBDRO Cc1cc(CO[C@H](C)C[N+](C)(C)C)cc(C)n1 ZINC001223425796 973063997 /nfs/dbraw/zinc/06/39/97/973063997.db2.gz VFEMXTWGPXSJLZ-CYBMUJFWSA-N 1 0 237.367 2.310 20 5 BEBDRO Cc1ccnc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001223505158 973114761 /nfs/dbraw/zinc/11/47/61/973114761.db2.gz ZTQJNFBHJNLFJD-LBPRGKRZSA-N 1 0 223.340 2.001 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1ccc2ocnc2c1 ZINC001223811248 973291552 /nfs/dbraw/zinc/29/15/52/973291552.db2.gz GRHCMRCPRHDGHH-LLVKDONJSA-N 1 0 249.334 2.439 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1cccs1 ZINC001223865905 973319793 /nfs/dbraw/zinc/31/97/93/973319793.db2.gz WUKFRFVKGNOVAZ-JTQLQIEISA-N 1 0 214.354 2.359 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)O[C@@H]1Cc2ccccc21 ZINC001224072290 973445253 /nfs/dbraw/zinc/44/52/53/973445253.db2.gz VOBOPUWCYRJVDB-SMDDNHRTSA-N 1 0 220.336 2.395 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccco1 ZINC001224621023 973802376 /nfs/dbraw/zinc/80/23/76/973802376.db2.gz ICCSULDNILTMPP-LLVKDONJSA-N 1 0 212.313 2.454 20 5 BEBDRO C[N+](C)(C)CCCO[C@H]1CCCC[C@H]1F ZINC001224620838 973803123 /nfs/dbraw/zinc/80/31/23/973803123.db2.gz GVQGMPJOMBAKFA-NEPJUHHUSA-N 1 0 218.336 2.380 20 5 BEBDRO C[C@@H](COc1ccccc1)OCC[N+](C)(C)C ZINC001224771800 973936532 /nfs/dbraw/zinc/93/65/32/973936532.db2.gz RZHVPALJWPEOTQ-ZDUSSCGKSA-N 1 0 238.351 2.177 20 5 BEBDRO C[C@H]1CC[C@@H](OCC[N+](C)(C)C)CC1 ZINC001224775771 973940911 /nfs/dbraw/zinc/94/09/11/973940911.db2.gz OMGFLORWAPCZHF-TXEJJXNPSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@@H]([NH2+]C1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001330364784 974244299 /nfs/dbraw/zinc/24/42/99/974244299.db2.gz ZFIPMDOZTIIYDH-MRVPVSSYSA-N 1 0 235.287 2.380 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1CCC2=O ZINC001225621742 974601948 /nfs/dbraw/zinc/60/19/48/974601948.db2.gz BYGSJVOKRYYHJR-LLVKDONJSA-N 1 0 248.346 2.289 20 5 BEBDRO COc1ccc(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225649311 974620099 /nfs/dbraw/zinc/62/00/99/974620099.db2.gz OBNPFMKUYSPDOH-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(Cl)c1 ZINC001225781169 974679589 /nfs/dbraw/zinc/67/95/89/974679589.db2.gz JSCJDPJRXGYSLM-SECBINFHSA-N 1 0 229.731 2.209 20 5 BEBDRO C[C@@H](C[NH+](C)C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904312 974722425 /nfs/dbraw/zinc/72/24/25/974722425.db2.gz BFFRVCNBHQWHDJ-QMMMGPOBSA-N 1 0 242.250 2.063 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2n[nH]cc21 ZINC001226616908 974981806 /nfs/dbraw/zinc/98/18/06/974981806.db2.gz FQKHCXXPYBTTFK-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001227135243 975292204 /nfs/dbraw/zinc/29/22/04/975292204.db2.gz ILXJDPVBEBXVSR-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO Cc1cccc2[nH]c(O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001227267505 975343344 /nfs/dbraw/zinc/34/33/44/975343344.db2.gz DGQUCFROKARRRA-NSHDSACASA-N 1 0 248.350 2.345 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2c(c1)CCCC2 ZINC001228777940 976490375 /nfs/dbraw/zinc/49/03/75/976490375.db2.gz BCYKPOSVFINFFK-GFCCVEGCSA-N 1 0 249.378 2.434 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)CC2 ZINC001228838676 976515942 /nfs/dbraw/zinc/51/59/42/976515942.db2.gz YOJVPXROZHIZTB-NSHDSACASA-N 1 0 248.346 2.289 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1N(C)C ZINC001228870543 976542244 /nfs/dbraw/zinc/54/22/44/976542244.db2.gz AULMSEUFDNKAFB-LBPRGKRZSA-N 1 0 237.367 2.226 20 5 BEBDRO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC001335317323 976953995 /nfs/dbraw/zinc/95/39/95/976953995.db2.gz BNZJVLFTQMACJT-AEJSXWLSSA-N 1 0 238.287 2.015 20 5 BEBDRO Cc1ccc(Cl)cc1C[NH2+]CC[N+](=O)[O-] ZINC001335361475 976998087 /nfs/dbraw/zinc/99/80/87/976998087.db2.gz QXAOBDUOUMIYAN-UHFFFAOYSA-N 1 0 228.679 2.015 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncccc2n1 ZINC001230719412 977314731 /nfs/dbraw/zinc/31/47/31/977314731.db2.gz MUHIFTDQYNWMGL-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1noc2c1CCCC2 ZINC001234456486 978842593 /nfs/dbraw/zinc/84/25/93/978842593.db2.gz PDLRTRZXTVKFRT-JTQLQIEISA-N 1 0 239.339 2.027 20 5 BEBDRO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]cc1 ZINC001339450497 978852913 /nfs/dbraw/zinc/85/29/13/978852913.db2.gz IPORCJCPOJUOCG-UHFFFAOYSA-N 1 0 243.266 2.066 20 5 BEBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277779 992832089 /nfs/dbraw/zinc/83/20/89/992832089.db2.gz OGJOJTIAJIGJAA-TZMCWYRMSA-N 1 0 248.326 2.450 20 5 BEBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277778 992834326 /nfs/dbraw/zinc/83/43/26/992834326.db2.gz OGJOJTIAJIGJAA-OCCSQVGLSA-N 1 0 248.326 2.450 20 5 BEBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000037998897 178164834 /nfs/dbraw/zinc/16/48/34/178164834.db2.gz INBFIKNNJMAGQL-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000037647821 178170409 /nfs/dbraw/zinc/17/04/09/178170409.db2.gz XWTUIIYNLNDCLR-LLVKDONJSA-N 1 0 249.314 2.267 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798901 178273318 /nfs/dbraw/zinc/27/33/18/178273318.db2.gz JBSOMFRXVVPRIT-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO C[C@@H]1C[C@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348897576 136243591 /nfs/dbraw/zinc/24/35/91/136243591.db2.gz VUVGIBKOIJBLOK-MNOVXSKESA-N 1 0 249.314 2.016 20 5 BEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000274478826 398312344 /nfs/dbraw/zinc/31/23/44/398312344.db2.gz NSQLMTKZIOANFI-UHFFFAOYSA-N 1 0 249.314 2.125 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2C)c1 ZINC000228763610 398326977 /nfs/dbraw/zinc/32/69/77/398326977.db2.gz QWIQGJLKHPKWTD-LLVKDONJSA-N 1 0 249.314 2.409 20 5 BEBDRO CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168993 343283857 /nfs/dbraw/zinc/28/38/57/343283857.db2.gz JGKVAGPLXRTREQ-UHFFFAOYSA-N 1 0 235.243 2.188 20 5 BEBDRO CC1(C)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000045116679 343523684 /nfs/dbraw/zinc/52/36/84/343523684.db2.gz OJPCHSPUOSPJOW-NSHDSACASA-N 1 0 220.272 2.483 20 5 BEBDRO CC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602637908 343879910 /nfs/dbraw/zinc/87/99/10/343879910.db2.gz JDMYWHVXCRVYOE-UHFFFAOYSA-N 1 0 220.272 2.089 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000381534801 344518119 /nfs/dbraw/zinc/51/81/19/344518119.db2.gz DXTRFLUAPQYNLZ-UHFFFAOYSA-N 1 0 224.235 2.187 20 5 BEBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044411801 345058622 /nfs/dbraw/zinc/05/86/22/345058622.db2.gz PBLLOKOARCYSPG-JTQLQIEISA-N 1 0 247.298 2.243 20 5 BEBDRO C[C@]1(CNc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000158891502 345763799 /nfs/dbraw/zinc/76/37/99/345763799.db2.gz KPOFBJHETZMIQB-ZDUSSCGKSA-N 1 0 249.314 2.396 20 5 BEBDRO C[NH2+]C(C)(C)CNc1ccsc1[N+](=O)[O-] ZINC000601133086 346215055 /nfs/dbraw/zinc/21/50/55/346215055.db2.gz UHMJWHREWHHEGM-UHFFFAOYSA-N 1 0 229.305 2.066 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[NH2+]C1 ZINC000158938695 346278110 /nfs/dbraw/zinc/27/81/10/346278110.db2.gz CBTRJTXETWVTOY-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000158953358 346734507 /nfs/dbraw/zinc/73/45/07/346734507.db2.gz CKYSODOTOWZOPZ-SECBINFHSA-N 1 0 237.303 2.171 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127265570 179206089 /nfs/dbraw/zinc/20/60/89/179206089.db2.gz WASUJSUQWAKFJW-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228162790 179207036 /nfs/dbraw/zinc/20/70/36/179207036.db2.gz WASUJSUQWAKFJW-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000594983691 348164909 /nfs/dbraw/zinc/16/49/09/348164909.db2.gz BVZXNKQVFXDELB-PJXYFTJBSA-N 1 0 232.283 2.483 20 5 BEBDRO Cc1noc(CN(C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000595293083 348215466 /nfs/dbraw/zinc/21/54/66/348215466.db2.gz XXHHJPZMVVDGNM-MRVPVSSYSA-N 1 0 239.275 2.122 20 5 BEBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000598632506 349005009 /nfs/dbraw/zinc/00/50/09/349005009.db2.gz FBEDWKPEEDLSMZ-UHFFFAOYSA-N 1 0 235.287 2.149 20 5 BEBDRO C[NH+](C)CCCNc1ccsc1[N+](=O)[O-] ZINC000033901264 350250093 /nfs/dbraw/zinc/25/00/93/350250093.db2.gz KYEZTYDSJSXBIC-UHFFFAOYSA-N 1 0 229.305 2.020 20 5 BEBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328467692 350397774 /nfs/dbraw/zinc/39/77/74/350397774.db2.gz JZNXDFPUCVYESR-GFCCVEGCSA-N 1 0 249.314 2.491 20 5 BEBDRO Cc1cccc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000235935232 187973561 /nfs/dbraw/zinc/97/35/61/187973561.db2.gz DCVGBHQDVQUSCM-LLVKDONJSA-N 1 0 249.314 2.457 20 5 BEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420361468 192222195 /nfs/dbraw/zinc/22/21/95/192222195.db2.gz XWUBUGXXBOWEFO-KWBADKCTSA-N 1 0 249.314 2.077 20 5 BEBDRO CCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000063756125 356424727 /nfs/dbraw/zinc/42/47/27/356424727.db2.gz UDPNXFDLCKJMKY-UHFFFAOYSA-N 1 0 238.287 2.315 20 5 BEBDRO Cc1cc(N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000212711032 357929145 /nfs/dbraw/zinc/92/91/45/357929145.db2.gz MSXGUJYMGWRAFI-UHFFFAOYSA-N 1 0 249.314 2.091 20 5 BEBDRO C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795059 360089492 /nfs/dbraw/zinc/08/94/92/360089492.db2.gz GWHFYDWMNAZFDJ-WDEREUQCSA-N 1 0 249.314 2.489 20 5 BEBDRO COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000066378654 361218237 /nfs/dbraw/zinc/21/82/37/361218237.db2.gz JGVKHWBQSWSKHM-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCC1 ZINC000037179578 361721264 /nfs/dbraw/zinc/72/12/64/361721264.db2.gz VMOVCYREDAFLGR-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124408678 371187622 /nfs/dbraw/zinc/18/76/22/371187622.db2.gz LITRYCCUMIVBSC-JOYOIKCWSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1ccccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000021818940 371496696 /nfs/dbraw/zinc/49/66/96/371496696.db2.gz OQALBAQZJPXPDH-GFCCVEGCSA-N 1 0 247.298 2.101 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000602721261 371832699 /nfs/dbraw/zinc/83/26/99/371832699.db2.gz OZHDXNHOTUBKGX-TXEJJXNPSA-N 1 0 232.283 2.089 20 5 BEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922352 372078710 /nfs/dbraw/zinc/07/87/10/372078710.db2.gz NQLKSZNGIZUAAF-JOYOIKCWSA-N 1 0 238.287 2.016 20 5 BEBDRO C[NH+](C)CCSCc1cccc([N+](=O)[O-])c1 ZINC000339743276 384011562 /nfs/dbraw/zinc/01/15/62/384011562.db2.gz RLCCMHXZVDQVEV-UHFFFAOYSA-N 1 0 240.328 2.390 20 5 BEBDRO CS[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000128006060 384078945 /nfs/dbraw/zinc/07/89/45/384078945.db2.gz WYBXSJREBNWEPN-VIFPVBQESA-N 1 0 240.328 2.436 20 5 BEBDRO Cc1cc(NCCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000310532687 384187642 /nfs/dbraw/zinc/18/76/42/384187642.db2.gz OLEUUCAQOZBVBF-UHFFFAOYSA-N 1 0 241.266 2.193 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CC2)c1 ZINC000084726527 384864940 /nfs/dbraw/zinc/86/49/40/384864940.db2.gz WKRIMIWFZYSQDM-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000136336699 385030220 /nfs/dbraw/zinc/03/02/20/385030220.db2.gz SEEAPPSVHOWGPC-APPZFPTMSA-N 1 0 226.301 2.402 20 5 BEBDRO CO[C@@H](C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000263815758 385147868 /nfs/dbraw/zinc/14/78/68/385147868.db2.gz OKCRKLGFYBHKCT-QMMMGPOBSA-N 1 0 244.316 2.171 20 5 BEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1CCC1)CC2 ZINC000408200147 385627377 /nfs/dbraw/zinc/62/73/77/385627377.db2.gz ZYBCGMUNLIPBOI-UHFFFAOYSA-N 1 0 247.298 2.148 20 5 BEBDRO C[C@@H]1C[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000052274888 385715392 /nfs/dbraw/zinc/71/53/92/385715392.db2.gz QTNSGVYJZXCDOS-SVRRBLITSA-N 1 0 212.274 2.154 20 5 BEBDRO C[C@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000342121694 385863624 /nfs/dbraw/zinc/86/36/24/385863624.db2.gz IVBIWLYKRAQZQB-JTQLQIEISA-N 1 0 249.314 2.127 20 5 BEBDRO C[C@@H](NCC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000342129919 385865701 /nfs/dbraw/zinc/86/57/01/385865701.db2.gz HQYPMLBVGLKWIY-SNVBAGLBSA-N 1 0 249.314 2.127 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000094663318 386465782 /nfs/dbraw/zinc/46/57/82/386465782.db2.gz BCZKJDCXWBDYHQ-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191201006 387355043 /nfs/dbraw/zinc/35/50/43/387355043.db2.gz DRKDRVXXIUCKCJ-VHSXEESVSA-N 1 0 238.287 2.280 20 5 BEBDRO C[C@@H](C[NH+](C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000169024029 387381493 /nfs/dbraw/zinc/38/14/93/387381493.db2.gz YWGZIMGQYMKNTA-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H]2C(F)F)cs1 ZINC000348220274 387529055 /nfs/dbraw/zinc/52/90/55/387529055.db2.gz NCNXOLHEQSTYCF-BQBZGAKWSA-N 1 0 248.254 2.400 20 5 BEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000046601918 388033314 /nfs/dbraw/zinc/03/33/14/388033314.db2.gz BOYRBJPKGYPDFU-UHFFFAOYSA-N 1 0 206.245 2.189 20 5 BEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000046601511 388034542 /nfs/dbraw/zinc/03/45/42/388034542.db2.gz NNBJLYQRYZENSD-UHFFFAOYSA-N 1 0 206.245 2.189 20 5 BEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177149 388191537 /nfs/dbraw/zinc/19/15/37/388191537.db2.gz BWOPKIMENZYADG-ONGXEEELSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000418094344 388674645 /nfs/dbraw/zinc/67/46/45/388674645.db2.gz KEKJEHXETDAJEU-NSHDSACASA-N 1 0 232.283 2.485 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CF ZINC000449329513 388747571 /nfs/dbraw/zinc/74/75/71/388747571.db2.gz IHJLONUJOXFSPP-ZJUUUORDSA-N 1 0 240.278 2.473 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(F)(F)C2)cc1 ZINC000277750372 388749899 /nfs/dbraw/zinc/74/98/99/388749899.db2.gz WEYWPRFFRJPWMF-UHFFFAOYSA-N 1 0 242.225 2.482 20 5 BEBDRO C[NH+](C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000067949595 388707150 /nfs/dbraw/zinc/70/71/50/388707150.db2.gz ITTNCSAFLUMLHE-UHFFFAOYSA-N 1 0 241.266 2.098 20 5 BEBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913580 388717768 /nfs/dbraw/zinc/71/77/68/388717768.db2.gz NTLLRCZOSRGLJP-JTQLQIEISA-N 1 0 249.314 2.489 20 5 BEBDRO CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607992 388732450 /nfs/dbraw/zinc/73/24/50/388732450.db2.gz UCXPBRUQPRGRFG-UHFFFAOYSA-N 1 0 220.272 2.363 20 5 BEBDRO C[NH+](C)CCSc1sccc1[N+](=O)[O-] ZINC000302022473 388835701 /nfs/dbraw/zinc/83/57/01/388835701.db2.gz OMAWOIGWNBEYMX-UHFFFAOYSA-N 1 0 232.330 2.310 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094663452 132239648 /nfs/dbraw/zinc/23/96/48/132239648.db2.gz DKZFSRWWQCNMGH-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000078617690 132303972 /nfs/dbraw/zinc/30/39/72/132303972.db2.gz ADMHWQNUXOJDSD-CYBMUJFWSA-N 1 0 249.314 2.125 20 5 BEBDRO CC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000128864675 168146981 /nfs/dbraw/zinc/14/69/81/168146981.db2.gz OVKYSTXDULJMKU-UHFFFAOYSA-N 1 0 220.272 2.483 20 5 BEBDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200179 411490345 /nfs/dbraw/zinc/49/03/45/411490345.db2.gz DNMXOIOXJDLMNI-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO CCOCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020054975 170381936 /nfs/dbraw/zinc/38/19/36/170381936.db2.gz QAQUCCLWPCEKFV-UHFFFAOYSA-N 1 0 238.287 2.111 20 5 BEBDRO CCOCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000037269090 170413235 /nfs/dbraw/zinc/41/32/35/170413235.db2.gz LKBANWQUSKORMB-UHFFFAOYSA-N 1 0 238.287 2.029 20 5 BEBDRO C[NH+](C)C(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC000044285713 172398179 /nfs/dbraw/zinc/39/81/79/172398179.db2.gz AWNKUHVJGWOJQQ-UHFFFAOYSA-N 1 0 237.303 2.347 20 5 BEBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000221258736 173033024 /nfs/dbraw/zinc/03/30/24/173033024.db2.gz OHBHGKFFVGEVQS-GFCCVEGCSA-N 1 0 235.287 2.101 20 5 BEBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000271697454 173319698 /nfs/dbraw/zinc/31/96/98/173319698.db2.gz BQVHOFJLZKNKKL-UHFFFAOYSA-N 1 0 223.276 2.005 20 5 BEBDRO COCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000045035669 174406950 /nfs/dbraw/zinc/40/69/50/174406950.db2.gz HOECUSWATNGBOA-JTQLQIEISA-N 1 0 238.287 2.109 20 5 BEBDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191200989 174834800 /nfs/dbraw/zinc/83/48/00/174834800.db2.gz DRKDRVXXIUCKCJ-ZJUUUORDSA-N 1 0 238.287 2.280 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)C ZINC000036883037 175201175 /nfs/dbraw/zinc/20/11/75/175201175.db2.gz KBWFFXRBPOURJI-UHFFFAOYSA-N 1 0 224.260 2.101 20 5 BEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH3+])C1 ZINC000041027491 176019324 /nfs/dbraw/zinc/01/93/24/176019324.db2.gz HJQXLCUYOKZBGS-JQWIXIFHSA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH3+])CC1 ZINC000020526336 177042925 /nfs/dbraw/zinc/04/29/25/177042925.db2.gz FDLICFGAUFIYGO-SNVBAGLBSA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000299643828 177165294 /nfs/dbraw/zinc/16/52/94/177165294.db2.gz NJFDFCXWRSHFIL-JTQLQIEISA-N 1 0 220.272 2.437 20 5 BEBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309459008 177207277 /nfs/dbraw/zinc/20/72/77/177207277.db2.gz TXNMFSDMWRXKMJ-JOYOIKCWSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136337087 177381776 /nfs/dbraw/zinc/38/17/76/177381776.db2.gz SAWVAPKGXLSWMW-ONGXEEELSA-N 1 0 220.272 2.340 20 5 BEBDRO C[C@H]1C[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000124736492 177381874 /nfs/dbraw/zinc/38/18/74/177381874.db2.gz YEEBQPNXAPFSBL-JQWIXIFHSA-N 1 0 234.299 2.383 20 5 BEBDRO C[C@H]1C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000052274894 177386303 /nfs/dbraw/zinc/38/63/03/177386303.db2.gz QTNSGVYJZXCDOS-POYBYMJQSA-N 1 0 212.274 2.154 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCOCC2)cc1 ZINC000397761812 323091812 /nfs/dbraw/zinc/09/18/12/323091812.db2.gz LATVXWZYPAMJOL-UHFFFAOYSA-N 1 0 248.282 2.031 20 5 BEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCF ZINC000568532255 326363762 /nfs/dbraw/zinc/36/37/62/326363762.db2.gz DPLVFGDIEPCMOV-SNVBAGLBSA-N 1 0 224.235 2.141 20 5 BEBDRO C[NH2+][C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261582384 536404427 /nfs/dbraw/zinc/40/44/27/536404427.db2.gz OICUTZHDGRPMFU-SSDOTTSWSA-N 1 0 243.694 2.268 20 5 BEBDRO C/C=C\C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538315 588963542 /nfs/dbraw/zinc/96/35/42/588963542.db2.gz TVVCQRCILLEMOI-ZBJFTSOASA-N 1 0 235.287 2.404 20 5 BEBDRO CCCC[C@@H](CC)C[NH2+]CC[N+](=O)[O-] ZINC000899856983 584243843 /nfs/dbraw/zinc/24/38/43/584243843.db2.gz ZRKWDNFSBRXOMV-SNVBAGLBSA-N 1 0 202.298 2.069 20 5 BEBDRO CC(C)([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901394467 584438130 /nfs/dbraw/zinc/43/81/30/584438130.db2.gz HMOCSUINAKNYBY-UHFFFAOYSA-N 1 0 247.254 2.444 20 5 BEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761090459 585408067 /nfs/dbraw/zinc/40/80/67/585408067.db2.gz KEDKZQYQURQIMS-CMPLNLGQSA-N 1 0 218.256 2.189 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000791052113 585972773 /nfs/dbraw/zinc/97/27/73/585972773.db2.gz LLZDDKJSFNOWDQ-UHFFFAOYSA-N 1 0 244.360 2.015 20 5 BEBDRO CCc1ccc(CN(CC[N+](=O)[O-])C2CC2)cc1 ZINC000791052820 585972905 /nfs/dbraw/zinc/97/29/05/585972905.db2.gz FKHSUCWCNXCRPY-UHFFFAOYSA-N 1 0 248.326 2.490 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000791054669 585973257 /nfs/dbraw/zinc/97/32/57/585973257.db2.gz NUFWWINYAPKHSU-LLVKDONJSA-N 1 0 236.315 2.219 20 5 BEBDRO C[N@H+](CCF)CCc1cccc([N+](=O)[O-])c1 ZINC000801602011 586265779 /nfs/dbraw/zinc/26/57/79/586265779.db2.gz SUESDDSJFOGVAK-UHFFFAOYSA-N 1 0 226.251 2.039 20 5 BEBDRO C[C@H]1C[C@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735996 586515239 /nfs/dbraw/zinc/51/52/39/586515239.db2.gz CAIYRESGPHVKNG-QWRGUYRKSA-N 1 0 249.314 2.016 20 5 BEBDRO C[C@@H]1C[C@@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735993 586515337 /nfs/dbraw/zinc/51/53/37/586515337.db2.gz CAIYRESGPHVKNG-GHMZBOCLSA-N 1 0 249.314 2.016 20 5 BEBDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355847 586888602 /nfs/dbraw/zinc/88/86/02/586888602.db2.gz JUSHDMXNUGSXRD-PRHODGIISA-N 1 0 247.298 2.380 20 5 BEBDRO Cc1cn(CCCCCCC[NH3+])nc1[N+](=O)[O-] ZINC000818619766 586907136 /nfs/dbraw/zinc/90/71/36/586907136.db2.gz KJAHOTFTOCYVOC-UHFFFAOYSA-N 1 0 240.307 2.009 20 5 BEBDRO Cc1ncc([N+](=O)[O-])n1CCCCCCC[NH3+] ZINC000830329639 587546259 /nfs/dbraw/zinc/54/62/59/587546259.db2.gz ACGNLXUIJNUMNI-UHFFFAOYSA-N 1 0 240.307 2.009 20 5 BEBDRO Cc1nn(CCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000830400126 587549304 /nfs/dbraw/zinc/54/93/04/587549304.db2.gz UFLPNLQDHFKMDZ-UHFFFAOYSA-N 1 0 240.307 2.009 20 5 BEBDRO Cc1noc(C[NH2+][C@@H]2CCC2(C)C)c1[N+](=O)[O-] ZINC000852125514 588665695 /nfs/dbraw/zinc/66/56/95/588665695.db2.gz SFHIMOWPAPPSFX-SECBINFHSA-N 1 0 239.275 2.169 20 5 BEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCF ZINC000866352772 589487869 /nfs/dbraw/zinc/48/78/69/589487869.db2.gz LWIUYABSKYAYME-QMMMGPOBSA-N 1 0 244.241 2.224 20 5 BEBDRO CCCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885930929 592108697 /nfs/dbraw/zinc/10/86/97/592108697.db2.gz LPMDRBMXZHEMHD-UHFFFAOYSA-N 1 0 223.276 2.222 20 5 BEBDRO C[C@H](C1CC1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885942994 592111895 /nfs/dbraw/zinc/11/18/95/592111895.db2.gz VKNBNCZAYQPULD-SECBINFHSA-N 1 0 235.287 2.220 20 5 BEBDRO C[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885944053 592113024 /nfs/dbraw/zinc/11/30/24/592113024.db2.gz JPWLDQYRHRLKLU-SNVBAGLBSA-N 1 0 235.287 2.364 20 5 BEBDRO CC[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038448 592138111 /nfs/dbraw/zinc/13/81/11/592138111.db2.gz VSDMTZMGYJBCOT-SNVBAGLBSA-N 1 0 235.287 2.222 20 5 BEBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886039287 592139221 /nfs/dbraw/zinc/13/92/21/592139221.db2.gz JMGRLWIWIOLVLQ-NXEZZACHSA-N 1 0 235.287 2.363 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000886097936 592147293 /nfs/dbraw/zinc/14/72/93/592147293.db2.gz HACYOFQUCNQBPB-NSHDSACASA-N 1 0 247.298 2.222 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000886243457 592184753 /nfs/dbraw/zinc/18/47/53/592184753.db2.gz ZJWVZSIQNAJIHQ-USWWRNFRSA-N 1 0 247.298 2.268 20 5 BEBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886249097 592185262 /nfs/dbraw/zinc/18/52/62/592185262.db2.gz CPNULRMKQKUDFC-GMTAPVOTSA-N 1 0 249.314 2.466 20 5 BEBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000886249100 592185367 /nfs/dbraw/zinc/18/53/67/592185367.db2.gz CPNULRMKQKUDFC-VWYCJHECSA-N 1 0 249.314 2.466 20 5 BEBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886265158 592190086 /nfs/dbraw/zinc/19/00/86/592190086.db2.gz ABWUUHBMMCMFSG-UHFFFAOYSA-N 1 0 223.276 2.220 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/Cl)cc1 ZINC000236013627 635593590 /nfs/dbraw/zinc/59/35/90/635593590.db2.gz PTSLBISWOGTPTM-LREOWRDNSA-N 1 0 240.690 2.479 20 5 BEBDRO Cc1cccc([C@H](C)[NH2+]CC[N+](=O)[O-])c1C ZINC000309508012 632435160 /nfs/dbraw/zinc/43/51/60/632435160.db2.gz WLFSESPFYIADLI-NSHDSACASA-N 1 0 222.288 2.231 20 5 BEBDRO CC(C)CC(CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905098513 637608572 /nfs/dbraw/zinc/60/85/72/637608572.db2.gz TXXWPHQZSIIYOK-UHFFFAOYSA-N 1 0 216.325 2.314 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000905157858 637640066 /nfs/dbraw/zinc/64/00/66/637640066.db2.gz DQJBVYLDAWSBLG-UHFFFAOYSA-N 1 0 248.326 2.266 20 5 BEBDRO CCCC[C@H](CCC)C[NH2+]CC[N+](=O)[O-] ZINC000905160365 637641246 /nfs/dbraw/zinc/64/12/46/637641246.db2.gz PQYRGXXVWXWPIH-NSHDSACASA-N 1 0 216.325 2.459 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCCCC1CCCC1 ZINC000905137462 637646423 /nfs/dbraw/zinc/64/64/23/637646423.db2.gz UFMHLDOPSXCXFH-UHFFFAOYSA-N 1 0 214.309 2.213 20 5 BEBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905185554 637669676 /nfs/dbraw/zinc/66/96/76/637669676.db2.gz CLYPYMZERLKFDK-UHFFFAOYSA-N 1 0 214.309 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000905229703 637690104 /nfs/dbraw/zinc/69/01/04/637690104.db2.gz LHCSBSOOAGIQFO-KBPBESRZSA-N 1 0 248.326 2.264 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000905242210 637726293 /nfs/dbraw/zinc/72/62/93/637726293.db2.gz AYQFHFLSCHAZQA-WDEREUQCSA-N 1 0 240.690 2.062 20 5 BEBDRO CC1(C)CCC[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905278594 637734416 /nfs/dbraw/zinc/73/44/16/637734416.db2.gz GHYVEXHNZVGBIH-SNVBAGLBSA-N 1 0 214.309 2.069 20 5 BEBDRO CCCCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000906531744 638199824 /nfs/dbraw/zinc/19/98/24/638199824.db2.gz TUWXIZZNNJJQQU-UHFFFAOYSA-N 1 0 237.303 2.160 20 5 BEBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000930622380 639826573 /nfs/dbraw/zinc/82/65/73/639826573.db2.gz DUOVEWDPQUSZOM-SECBINFHSA-N 1 0 202.298 2.068 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000930666009 639854778 /nfs/dbraw/zinc/85/47/78/639854778.db2.gz GTMDLLUALQZILG-VWYCJHECSA-N 1 0 214.309 2.068 20 5 BEBDRO Cc1c(C[NH2+]CCCF)cccc1[N+](=O)[O-] ZINC000231885868 641213877 /nfs/dbraw/zinc/21/38/77/641213877.db2.gz ITBIWCSBXCPSBN-UHFFFAOYSA-N 1 0 226.251 2.352 20 5 BEBDRO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000064111874 641307899 /nfs/dbraw/zinc/30/78/99/641307899.db2.gz CTKMXRYDRYGNBC-JTQLQIEISA-N 1 0 240.307 2.115 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCCC2)cc1F ZINC000087225956 644485194 /nfs/dbraw/zinc/48/51/94/644485194.db2.gz DJKZHSYAEXWWNK-UHFFFAOYSA-N 1 0 224.235 2.330 20 5 BEBDRO C[N@H+](CCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000766846348 644671166 /nfs/dbraw/zinc/67/11/66/644671166.db2.gz SSLWUXIAIQYUEU-UHFFFAOYSA-N 1 0 226.251 2.386 20 5 BEBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929685990 646244256 /nfs/dbraw/zinc/24/42/56/646244256.db2.gz RLADJBLGALETPL-GFCCVEGCSA-N 1 0 236.315 2.135 20 5 BEBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929855291 646350235 /nfs/dbraw/zinc/35/02/35/646350235.db2.gz QDEUUMFKSPDVOW-WDEREUQCSA-N 1 0 214.309 2.164 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000899872629 711803871 /nfs/dbraw/zinc/80/38/71/711803871.db2.gz CRPKHEDFJDLJLP-NSHDSACASA-N 1 0 240.690 2.194 20 5 BEBDRO Cc1ccc(C[NH2+]C2CSC2)cc1[N+](=O)[O-] ZINC000701973079 712033721 /nfs/dbraw/zinc/03/37/21/712033721.db2.gz MOCILJKTKRAADX-UHFFFAOYSA-N 1 0 238.312 2.108 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C ZINC000712605184 712436602 /nfs/dbraw/zinc/43/66/02/712436602.db2.gz KYYMCIWFVOLURL-JTQLQIEISA-N 1 0 235.287 2.019 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719623943 712814343 /nfs/dbraw/zinc/81/43/43/712814343.db2.gz KDFNIHSCYBLKOX-MFKMUULPSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719622502 712817410 /nfs/dbraw/zinc/81/74/10/712817410.db2.gz FTJQZEHSAYWDRS-GHMZBOCLSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719622505 712817611 /nfs/dbraw/zinc/81/76/11/712817611.db2.gz FTJQZEHSAYWDRS-WDEREUQCSA-N 1 0 249.314 2.408 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(F)c1F ZINC001225924637 962914742 /nfs/dbraw/zinc/91/47/42/962914742.db2.gz QDLGUTWPVLKNQV-SECBINFHSA-N 1 0 230.278 2.438 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)c1cccnc1F ZINC001224620721 964809975 /nfs/dbraw/zinc/80/99/75/964809975.db2.gz BSYJJUIOAWYHSY-NSHDSACASA-N 1 0 241.330 2.395 20 5 BEBDRO CC(C)(C)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959593 969309927 /nfs/dbraw/zinc/30/99/27/969309927.db2.gz XFPLDUBQGKAIAB-WDEREUQCSA-N 1 0 228.336 2.458 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C=CCCC2)C1 ZINC001169000615 969327780 /nfs/dbraw/zinc/32/77/80/969327780.db2.gz YAYCPGTUUSFMDE-WOPDTQHZSA-N 1 0 224.304 2.130 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H](F)C2)C1 ZINC001169012339 969338643 /nfs/dbraw/zinc/33/86/43/969338643.db2.gz PETSIEIHKMXWOG-UTUOFQBUSA-N 1 0 244.310 2.256 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H](F)C2)C1 ZINC001169012338 969337256 /nfs/dbraw/zinc/33/72/56/969337256.db2.gz PETSIEIHKMXWOG-IJLUTSLNSA-N 1 0 244.310 2.256 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H](F)C2)C1 ZINC001169012340 969340269 /nfs/dbraw/zinc/34/02/69/969340269.db2.gz PETSIEIHKMXWOG-WOPDTQHZSA-N 1 0 244.310 2.256 20 5 BEBDRO CC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036838 969355880 /nfs/dbraw/zinc/35/58/80/969355880.db2.gz QEUMWEMISFMEFJ-UTUOFQBUSA-N 1 0 226.320 2.306 20 5 BEBDRO C[C@@H]1CC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224624015 973807481 /nfs/dbraw/zinc/80/74/81/973807481.db2.gz SYJSMPMRGAFRRH-NEPJUHHUSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@@H](OCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001217879663 971474854 /nfs/dbraw/zinc/47/48/54/971474854.db2.gz UQEISFQHUIMQOH-SECBINFHSA-N 1 0 224.260 2.021 20 5 BEBDRO C[C@H](O[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001217824605 959621400 /nfs/dbraw/zinc/62/14/00/959621400.db2.gz SFGIRJAAPHCXJR-CABZTGNLSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cnoc2c1 ZINC001226452361 963193576 /nfs/dbraw/zinc/19/35/76/963193576.db2.gz ZSVPEXZXUXYZKU-JTQLQIEISA-N 1 0 235.307 2.301 20 5 BEBDRO C[NH+](C)CCNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001161668372 964674639 /nfs/dbraw/zinc/67/46/39/964674639.db2.gz HGIIEZLLJCQEKZ-UHFFFAOYSA-N 1 0 248.286 2.050 20 5 BEBDRO C[C@@H](Cc1ccco1)OCCC[N+](C)(C)C ZINC001224620732 964810176 /nfs/dbraw/zinc/81/01/76/964810176.db2.gz AKXRJDNGGZZKKC-LBPRGKRZSA-N 1 0 226.340 2.324 20 5 BEBDRO CCCC(=O)[C@@H](CCC)OCC[N+](C)(C)C ZINC001224776578 964939638 /nfs/dbraw/zinc/93/96/38/964939638.db2.gz YAJXCQCJQAZXGS-CYBMUJFWSA-N 1 0 230.372 2.247 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCCc1ccccc1 ZINC001205000019 967281400 /nfs/dbraw/zinc/28/14/00/967281400.db2.gz LCYCPYUCRRQMCH-ZDUSSCGKSA-N 1 0 222.352 2.340 20 5 BEBDRO Cc1[nH+]cn(C)c1Nc1ccccc1[N+](=O)[O-] ZINC001206150252 968085949 /nfs/dbraw/zinc/08/59/49/968085949.db2.gz KKLYKQSHWRARBG-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO Cn1c[nH+]cc1Nc1ccccc1[N+](=O)[O-] ZINC001206150343 968088593 /nfs/dbraw/zinc/08/85/93/968088593.db2.gz ORBGQMBGSKVOMQ-UHFFFAOYSA-N 1 0 218.216 2.072 20 5 BEBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001230921930 968487466 /nfs/dbraw/zinc/48/74/66/968487466.db2.gz ABPGXECQQTWUSB-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC001168955845 969304202 /nfs/dbraw/zinc/30/42/02/969304202.db2.gz CSISXTOLZXLVGH-JQWIXIFHSA-N 1 0 226.320 2.354 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)C1 ZINC001168956357 969305198 /nfs/dbraw/zinc/30/51/98/969305198.db2.gz AYQUNVFYOWFVMA-WRWGMCAJSA-N 1 0 244.310 2.160 20 5 BEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001168957772 969306432 /nfs/dbraw/zinc/30/64/32/969306432.db2.gz IPLKMMLTAYPKIE-QWRGUYRKSA-N 1 0 238.287 2.123 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC001168956964 969306628 /nfs/dbraw/zinc/30/66/28/969306628.db2.gz DALISVGLZXVACV-IRCOFANPSA-N 1 0 244.310 2.302 20 5 BEBDRO CC(C)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956851 969306645 /nfs/dbraw/zinc/30/66/45/969306645.db2.gz GCPGCTJKPISLOB-MNOVXSKESA-N 1 0 214.309 2.068 20 5 BEBDRO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956531 969308283 /nfs/dbraw/zinc/30/82/83/969308283.db2.gz BJJSIIPMWBKLBD-NNYUYHANSA-N 1 0 226.320 2.210 20 5 BEBDRO CCC(CC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958788 969308947 /nfs/dbraw/zinc/30/89/47/969308947.db2.gz PRGPCVABEPSVQM-GXSJLCMTSA-N 1 0 214.309 2.210 20 5 BEBDRO CC(C)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959429 969309360 /nfs/dbraw/zinc/30/93/60/969309360.db2.gz VWQGDJFHCNODQT-DCAQKATOSA-N 1 0 214.309 2.066 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)C1 ZINC001168964207 969314798 /nfs/dbraw/zinc/31/47/98/969314798.db2.gz RUTQTDARACGENX-NNYUYHANSA-N 1 0 244.310 2.302 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC001168963814 969315338 /nfs/dbraw/zinc/31/53/38/969315338.db2.gz QCOXUYHBUNWUQP-OPRDCNLKSA-N 1 0 248.273 2.209 20 5 BEBDRO [NH3+]Cc1cccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168967667 969321840 /nfs/dbraw/zinc/32/18/40/969321840.db2.gz SHMDVKNCOLFWQS-WCQYABFASA-N 1 0 249.314 2.003 20 5 BEBDRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968919 969322066 /nfs/dbraw/zinc/32/20/66/969322066.db2.gz BHUBUZKCTQKMGT-TUAOUCFPSA-N 1 0 228.336 2.456 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001169003081 969326598 /nfs/dbraw/zinc/32/65/98/969326598.db2.gz NBCVSSQCSCCRSX-KSSYENDESA-N 1 0 238.331 2.210 20 5 BEBDRO CC1(F)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009483 969334673 /nfs/dbraw/zinc/33/46/73/969334673.db2.gz WMNQKCZNNHIXOF-MNOVXSKESA-N 1 0 244.310 2.256 20 5 BEBDRO C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008243 969335601 /nfs/dbraw/zinc/33/56/01/969335601.db2.gz SKSXWUGSEIJGHA-GRYCIOLGSA-N 1 0 226.320 2.306 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC3)CC2)C1 ZINC001169011307 969337059 /nfs/dbraw/zinc/33/70/59/969337059.db2.gz JQFALRSZZPJINZ-NEPJUHHUSA-N 1 0 238.331 2.308 20 5 BEBDRO C[C@]1(CF)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012506 969337364 /nfs/dbraw/zinc/33/73/64/969337364.db2.gz QSFYEWVZJNCHGG-IJLUTSLNSA-N 1 0 244.310 2.113 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC23CCCC3)C1 ZINC001169011021 969337578 /nfs/dbraw/zinc/33/75/78/969337578.db2.gz HJNXTSLUABWUON-RYUDHWBXSA-N 1 0 238.331 2.450 20 5 BEBDRO C[C@]1(CF)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012508 969337740 /nfs/dbraw/zinc/33/77/40/969337740.db2.gz QSFYEWVZJNCHGG-QJPTWQEYSA-N 1 0 244.310 2.113 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CCCC3)C1 ZINC001169011584 969340177 /nfs/dbraw/zinc/34/01/77/969340177.db2.gz LGFHNSRWTHIMOP-NWDGAFQWSA-N 1 0 238.331 2.308 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CF)C2)C1 ZINC001169034974 969352094 /nfs/dbraw/zinc/35/20/94/969352094.db2.gz JDRSTHZANQUKMI-IJLUTSLNSA-N 1 0 244.310 2.113 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(CF)CC2)C1 ZINC001169038570 969355299 /nfs/dbraw/zinc/35/52/99/969355299.db2.gz ZSJBUAGDFYLZQE-RYUDHWBXSA-N 1 0 244.310 2.113 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2C3CCC2CC3)C1 ZINC001169037209 969356949 /nfs/dbraw/zinc/35/69/49/969356949.db2.gz RDTJQJFTKFYWST-WNYYMSAVSA-N 1 0 224.304 2.059 20 5 BEBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039921 969357579 /nfs/dbraw/zinc/35/75/79/969357579.db2.gz VVFCWGGKZAVJMK-YVECIDJPSA-N 1 0 240.347 2.410 20 5 BEBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036625 969357876 /nfs/dbraw/zinc/35/78/76/969357876.db2.gz HCXXGSGHUQCYDC-GRYCIOLGSA-N 1 0 240.347 2.410 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](CC2CC2)C2CC2)C1 ZINC001169048300 969363458 /nfs/dbraw/zinc/36/34/58/969363458.db2.gz UIKABFBBSUQUKV-WCQYABFASA-N 1 0 238.331 2.306 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](CC2CC2)C2CC2)C1 ZINC001169048299 969363950 /nfs/dbraw/zinc/36/39/50/969363950.db2.gz UIKABFBBSUQUKV-DGCLKSJQSA-N 1 0 238.331 2.306 20 5 BEBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169046852 969367113 /nfs/dbraw/zinc/36/71/13/969367113.db2.gz NTGXOOAQXJHDBB-TUAOUCFPSA-N 1 0 238.331 2.306 20 5 BEBDRO CC(C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569488 969740128 /nfs/dbraw/zinc/74/01/28/969740128.db2.gz YNFVGIGCYRSLMW-LBPRGKRZSA-N 1 0 234.299 2.308 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001254594477 969744992 /nfs/dbraw/zinc/74/49/92/969744992.db2.gz RJKZMZIFHVQDNI-SCRDCRAPSA-N 1 0 244.294 2.014 20 5 BEBDRO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593133 969745309 /nfs/dbraw/zinc/74/53/09/969745309.db2.gz IXIYYGJOAXSAML-QMTHXVAHSA-N 1 0 246.310 2.404 20 5 BEBDRO Cc1cccc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001169725971 969818240 /nfs/dbraw/zinc/81/82/40/969818240.db2.gz PJGLXGWBJFBJQW-UHFFFAOYSA-N 1 0 231.255 2.153 20 5 BEBDRO Cn1c[nH+]cc1Nc1cccc([N+](=O)[O-])c1F ZINC001210380360 969880856 /nfs/dbraw/zinc/88/08/56/969880856.db2.gz BCSQHNOAGDJWMK-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO O=[N+]([O-])c1cccc(Nc2cc[nH+]cc2)c1F ZINC001210378407 969880910 /nfs/dbraw/zinc/88/09/10/969880910.db2.gz GMYAMWBRPWUCCL-UHFFFAOYSA-N 1 0 233.202 2.294 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1cccc2ocnc21 ZINC001224050986 973427830 /nfs/dbraw/zinc/42/78/30/973427830.db2.gz DJIQACXAKHDZGO-LLVKDONJSA-N 1 0 249.334 2.439 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(F)c1 ZINC001225228528 974272832 /nfs/dbraw/zinc/27/28/32/974272832.db2.gz CWUJSSGDHHJCFB-SNVBAGLBSA-N 1 0 212.288 2.299 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc(Cl)c1 ZINC001225288934 974357855 /nfs/dbraw/zinc/35/78/55/974357855.db2.gz DSBKWSJVKQQKKQ-VIFPVBQESA-N 1 0 229.731 2.209 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCC2=O ZINC001225362207 974444153 /nfs/dbraw/zinc/44/41/53/974444153.db2.gz CWPDNDVVMLWYLY-NSHDSACASA-N 1 0 248.346 2.289 20 5 BEBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(C)n1 ZINC001225433334 974487736 /nfs/dbraw/zinc/48/77/36/974487736.db2.gz OHGIDWWNZXRCQW-LLVKDONJSA-N 1 0 223.340 2.172 20 5 BEBDRO Cc1cc(O)cc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001225963305 974743647 /nfs/dbraw/zinc/74/36/47/974743647.db2.gz AFCAEWQGLHBDMQ-LBPRGKRZSA-O 1 0 238.351 2.483 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1F ZINC001226126218 974800612 /nfs/dbraw/zinc/80/06/12/974800612.db2.gz HOQXIKOTHZADIX-VIFPVBQESA-O 1 0 228.287 2.005 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nncc2ccccc21 ZINC001226391648 974878881 /nfs/dbraw/zinc/87/88/81/974878881.db2.gz CVPAMKXHGBNRLT-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO CCc1nc(C)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001226408773 974888876 /nfs/dbraw/zinc/88/88/76/974888876.db2.gz CFYMYIQMPUMVHM-LBPRGKRZSA-N 1 0 237.367 2.426 20 5 BEBDRO Cc1ccc2[nH]c(O[C@@H](C)C[N+](C)(C)C)nc2c1 ZINC001226508211 974931458 /nfs/dbraw/zinc/93/14/58/974931458.db2.gz IZPYIRQZNMDGGY-NSHDSACASA-N 1 0 248.350 2.345 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC001173223896 975072241 /nfs/dbraw/zinc/07/22/41/975072241.db2.gz BJHMPMNQGGUFSL-LLVKDONJSA-N 1 0 234.299 2.478 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2nccnc21 ZINC001226855703 975125924 /nfs/dbraw/zinc/12/59/24/975125924.db2.gz VXEZTKAJANLHQZ-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227464728 975440744 /nfs/dbraw/zinc/44/07/44/975440744.db2.gz NRKXYJDBMKCLLP-LLVKDONJSA-N 1 0 236.335 2.363 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)ccc1F ZINC001227881393 975766422 /nfs/dbraw/zinc/76/64/22/975766422.db2.gz AQRSNPZNGSYLQT-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001333441992 975779335 /nfs/dbraw/zinc/77/93/35/975779335.db2.gz LBPKJBOULDQKPX-NEPJUHHUSA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c[nH]nc21 ZINC001227984127 975829870 /nfs/dbraw/zinc/82/98/70/975829870.db2.gz AQEZAHRPWYAGCH-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO Cc1[nH+]cc(Nc2ccc([N+](=O)[O-])cc2)n1C ZINC001174477582 976795517 /nfs/dbraw/zinc/79/55/17/976795517.db2.gz QBFVNFQLDFWFQQ-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO Cc1cc(C)cc([C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC001354470843 1170011138 /nfs/dbraw/zinc/01/11/38/1170011138.db2.gz GKBXGQFMUJARDK-NSHDSACASA-N 1 0 222.288 2.231 20 5 BEBDRO C[C@@H](O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001335317325 976955959 /nfs/dbraw/zinc/95/59/59/976955959.db2.gz BNZJVLFTQMACJT-IVZWLZJFSA-N 1 0 238.287 2.015 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001335471008 977081153 /nfs/dbraw/zinc/08/11/53/977081153.db2.gz XCPKAMAPOIEJSH-WNYYMSAVSA-N 1 0 226.320 2.068 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2ccccc2nn1 ZINC001230244681 977145364 /nfs/dbraw/zinc/14/53/64/977145364.db2.gz LICLLEBAEWFCJG-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCOCc1ccccc1 ZINC001205276082 979849810 /nfs/dbraw/zinc/84/98/10/979849810.db2.gz HUGZCBKQFJLTBD-ZDUSSCGKSA-N 1 0 238.351 2.272 20 5 BEBDRO Cc1noc(CN(C)CC2CCC2)c1[N+](=O)[O-] ZINC001198414372 982702298 /nfs/dbraw/zinc/70/22/98/982702298.db2.gz ORUGZDDSALMZNI-UHFFFAOYSA-N 1 0 239.275 2.123 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001473888587 987603236 /nfs/dbraw/zinc/60/32/36/987603236.db2.gz XAALQTJKFOBBDA-GFCCVEGCSA-N 1 0 226.320 2.165 20 5 BEBDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N+](=O)[O-] ZINC001120503729 989686601 /nfs/dbraw/zinc/68/66/01/989686601.db2.gz XMKDUPLNYLOWFT-LBPRGKRZSA-N 1 0 240.278 2.013 20 5 BEBDRO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001262009256 992591528 /nfs/dbraw/zinc/59/15/28/992591528.db2.gz PLKKCXXNPDPFPD-UHFFFAOYSA-N 1 0 247.254 2.378 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000026726018 1170861988 /nfs/dbraw/zinc/86/19/88/1170861988.db2.gz FNHYREFOVAJIMP-VIFPVBQESA-N 1 0 208.261 2.087 20 5 BEBDRO Cc1c(O[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000043501542 1171294945 /nfs/dbraw/zinc/29/49/45/1171294945.db2.gz NIEVNKAFZRZJLA-JTQLQIEISA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cc(NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000235866465 178157205 /nfs/dbraw/zinc/15/72/05/178157205.db2.gz ZKUODVPTTCTMEO-UHFFFAOYSA-N 1 0 235.287 2.197 20 5 BEBDRO Cc1cc(NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000221254575 178166572 /nfs/dbraw/zinc/16/65/72/178166572.db2.gz NEHSJNRQNTUSPN-LBPRGKRZSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000168974283 178179110 /nfs/dbraw/zinc/17/91/10/178179110.db2.gz CDLZYBGSGBYCNT-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]([NH3+])C1CC1 ZINC000129301055 178273276 /nfs/dbraw/zinc/27/32/76/178273276.db2.gz MIQLVLQSZCZCSI-NSHDSACASA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCC1([NH3+])CCC1 ZINC000235746880 178273312 /nfs/dbraw/zinc/27/33/12/178273312.db2.gz HIZKYAGYLWJLRK-UHFFFAOYSA-N 1 0 235.287 2.197 20 5 BEBDRO C[N@H+](CCNc1sccc1[N+](=O)[O-])C1CC1 ZINC000309622251 342755968 /nfs/dbraw/zinc/75/59/68/342755968.db2.gz FODBEDCADXQWFC-UHFFFAOYSA-N 1 0 241.316 2.162 20 5 BEBDRO C[C@H]1C[C@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348897577 136243237 /nfs/dbraw/zinc/24/32/37/136243237.db2.gz VUVGIBKOIJBLOK-QWRGUYRKSA-N 1 0 249.314 2.016 20 5 BEBDRO C[C@H]1C[C@@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348897579 136243548 /nfs/dbraw/zinc/24/35/48/136243548.db2.gz VUVGIBKOIJBLOK-WDEREUQCSA-N 1 0 249.314 2.016 20 5 BEBDRO CSCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000039311618 398329396 /nfs/dbraw/zinc/32/93/96/398329396.db2.gz SUHCZAPHWZQAEG-UHFFFAOYSA-N 1 0 240.328 2.438 20 5 BEBDRO Cc1cccc(N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000261551793 136272524 /nfs/dbraw/zinc/27/25/24/136272524.db2.gz YDZBSOULXBAUEX-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO C[C@@H]([NH3+])CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310185561 343377397 /nfs/dbraw/zinc/37/73/97/343377397.db2.gz VVONDAKFNKYAOI-ZCFIWIBFSA-N 1 0 245.229 2.292 20 5 BEBDRO CC1(C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000045116681 343524093 /nfs/dbraw/zinc/52/40/93/343524093.db2.gz OJPCHSPUOSPJOW-LLVKDONJSA-N 1 0 220.272 2.483 20 5 BEBDRO CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000047701562 343565169 /nfs/dbraw/zinc/56/51/69/343565169.db2.gz RDVLYQQNUNDVEI-UHFFFAOYSA-N 1 0 208.261 2.437 20 5 BEBDRO Cc1ccc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000038089190 343949773 /nfs/dbraw/zinc/94/97/73/343949773.db2.gz XENRNZYSGGFAMU-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO C[NH2+]CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020524945 344450943 /nfs/dbraw/zinc/45/09/43/344450943.db2.gz SFVNNDAJLWUZIH-UHFFFAOYSA-N 1 0 244.678 2.237 20 5 BEBDRO CSCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000070184127 345453844 /nfs/dbraw/zinc/45/38/44/345453844.db2.gz YBVVNAONIDSLJN-UHFFFAOYSA-N 1 0 226.301 2.047 20 5 BEBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000091480828 345594354 /nfs/dbraw/zinc/59/43/54/345594354.db2.gz WPJFWLOYBSGODO-UHFFFAOYSA-N 1 0 249.314 2.127 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCF ZINC000449303568 201862202 /nfs/dbraw/zinc/86/22/02/201862202.db2.gz YMTQZUMJPRZWOH-VIFPVBQESA-N 1 0 226.251 2.085 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(C3CC3)C2)c1 ZINC000589736776 346734546 /nfs/dbraw/zinc/73/45/46/346734546.db2.gz MCZJHEBQIIGRBK-UHFFFAOYSA-N 1 0 232.283 2.437 20 5 BEBDRO Cc1cccc(N[C@@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000235627648 179154367 /nfs/dbraw/zinc/15/43/67/179154367.db2.gz LHFSKUDNODBTNX-GHMZBOCLSA-N 1 0 249.314 2.456 20 5 BEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccccc1[N+](=O)[O-] ZINC000590568700 347470084 /nfs/dbraw/zinc/47/00/84/347470084.db2.gz JIHMHZZWGKCCBM-WDEREUQCSA-N 1 0 249.314 2.124 20 5 BEBDRO C[NH+](C)C1(CNc2sccc2[N+](=O)[O-])CC1 ZINC000591370636 347654693 /nfs/dbraw/zinc/65/46/93/347654693.db2.gz OYHKAHCQWBTPIV-UHFFFAOYSA-N 1 0 241.316 2.162 20 5 BEBDRO CC[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595338210 348220554 /nfs/dbraw/zinc/22/05/54/348220554.db2.gz HLUVSKSRXDUHJY-SECBINFHSA-N 1 0 239.275 2.123 20 5 BEBDRO Cc1noc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595334757 348220685 /nfs/dbraw/zinc/22/06/85/348220685.db2.gz VVJZHRZHAMNCIC-JGVFFNPUSA-N 1 0 239.275 2.122 20 5 BEBDRO CC[C@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595306102 348222231 /nfs/dbraw/zinc/22/22/31/348222231.db2.gz KKQIYGUNLWPVNG-VIFPVBQESA-N 1 0 239.275 2.266 20 5 BEBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595342371 348233618 /nfs/dbraw/zinc/23/36/18/348233618.db2.gz CARWLUJWZXIHNZ-CBAPKCEASA-N 1 0 239.275 2.122 20 5 BEBDRO C/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000308772869 348552010 /nfs/dbraw/zinc/55/20/10/348552010.db2.gz IWQZXUMUOFCDAY-IHWYPQMZSA-N 1 0 206.245 2.261 20 5 BEBDRO C[C@@H](CCNc1ccsc1[N+](=O)[O-])[NH+](C)C ZINC000596425578 348529155 /nfs/dbraw/zinc/52/91/55/348529155.db2.gz REKPPVHOBIBCRG-QMMMGPOBSA-N 1 0 243.332 2.408 20 5 BEBDRO C[C@H]1C[C@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354433 349164714 /nfs/dbraw/zinc/16/47/14/349164714.db2.gz VPVXOSWSMLFGAV-UWVGGRQHSA-N 1 0 247.298 2.004 20 5 BEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])s1 ZINC000309521902 350696581 /nfs/dbraw/zinc/69/65/81/350696581.db2.gz CERZEOYCWGJYKH-QMMMGPOBSA-N 1 0 243.332 2.408 20 5 BEBDRO C[NH2+]CCSCc1ccc([N+](=O)[O-])cc1 ZINC000382649549 350937579 /nfs/dbraw/zinc/93/75/79/350937579.db2.gz RKRWODWCWUFVPH-UHFFFAOYSA-N 1 0 226.301 2.047 20 5 BEBDRO C[C@@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343454562 350970943 /nfs/dbraw/zinc/97/09/43/350970943.db2.gz IOIIAXKYKKVRJN-MNOVXSKESA-N 1 0 249.314 2.489 20 5 BEBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343569856 350976303 /nfs/dbraw/zinc/97/63/03/350976303.db2.gz YTPRUKHHKREOLF-MFKMUULPSA-N 1 0 249.314 2.489 20 5 BEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC1 ZINC000211421692 352732053 /nfs/dbraw/zinc/73/20/53/352732053.db2.gz AUAAJEKIWVASOH-HYXAFXHYSA-N 1 0 218.256 2.360 20 5 BEBDRO CC[N@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000155098525 188334091 /nfs/dbraw/zinc/33/40/91/188334091.db2.gz PKPYWLYSEZMSPT-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO CC[NH+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971123 134024874 /nfs/dbraw/zinc/02/48/74/134024874.db2.gz PHVGKNPGCDFTOL-UHFFFAOYSA-N 1 0 238.287 2.445 20 5 BEBDRO CCC[C@@H]1C[NH2+]CCN1c1ccccc1[N+](=O)[O-] ZINC000420240452 192183942 /nfs/dbraw/zinc/18/39/42/192183942.db2.gz URBJLIRTTKYSHH-LLVKDONJSA-N 1 0 249.314 2.173 20 5 BEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])[C@@H]1C ZINC000420361527 192222785 /nfs/dbraw/zinc/22/27/85/192222785.db2.gz YFRHMYYGIMGHKH-NHCYSSNCSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[NH+]1CCCCC1 ZINC000035994340 360534349 /nfs/dbraw/zinc/53/43/49/360534349.db2.gz YYSFTJUSBPQXKQ-UHFFFAOYSA-N 1 0 249.314 2.493 20 5 BEBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051693701 181342317 /nfs/dbraw/zinc/34/23/17/181342317.db2.gz SGQMHORGXSKAHN-UHFFFAOYSA-N 1 0 235.287 2.277 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000037668266 364461624 /nfs/dbraw/zinc/46/16/24/364461624.db2.gz KHICAKIMOFQTMI-JTQLQIEISA-N 1 0 238.312 2.190 20 5 BEBDRO COC[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000193898467 367225524 /nfs/dbraw/zinc/22/55/24/367225524.db2.gz HJLJGJUPRNGRSH-JTQLQIEISA-N 1 0 238.287 2.062 20 5 BEBDRO CC[N@H+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000047611368 368465309 /nfs/dbraw/zinc/46/53/09/368465309.db2.gz UYYZYZPGHXFJQW-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000094659269 369464622 /nfs/dbraw/zinc/46/46/22/369464622.db2.gz GLUPYAZZOMFPLB-PHIMTYICSA-N 1 0 249.314 2.090 20 5 BEBDRO Cc1c(C[NH2+]C2CSC2)cccc1[N+](=O)[O-] ZINC000309909564 370274785 /nfs/dbraw/zinc/27/47/85/370274785.db2.gz LUBFGAJLCNDZSW-UHFFFAOYSA-N 1 0 238.312 2.108 20 5 BEBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094342535 371209725 /nfs/dbraw/zinc/20/97/25/371209725.db2.gz UUVIUWHNRDTCQY-ZYHUDNBSSA-N 1 0 249.314 2.077 20 5 BEBDRO COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350097039 371554334 /nfs/dbraw/zinc/55/43/34/371554334.db2.gz LARFELRSDVYKNM-SNVBAGLBSA-N 1 0 238.287 2.028 20 5 BEBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227076659 371780759 /nfs/dbraw/zinc/78/07/59/371780759.db2.gz UUVIUWHNRDTCQY-JQWIXIFHSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC23CC3)cc1 ZINC000602694484 371830757 /nfs/dbraw/zinc/83/07/57/371830757.db2.gz NQIKCTLJKYWZTE-LBPRGKRZSA-N 1 0 232.283 2.279 20 5 BEBDRO CC1(C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602752348 371838665 /nfs/dbraw/zinc/83/86/65/371838665.db2.gz VBNKJDJDCFYWAP-UHFFFAOYSA-N 1 0 234.299 2.479 20 5 BEBDRO CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285420230 169077793 /nfs/dbraw/zinc/07/77/93/169077793.db2.gz VRHAOTJDKXSFJX-UHFFFAOYSA-N 1 0 222.288 2.479 20 5 BEBDRO C[C@@H](C[N@H+](C)CC[N+](=O)[O-])C1CCCCC1 ZINC001644109506 1172526799 /nfs/dbraw/zinc/52/67/99/1172526799.db2.gz RJESSJLPYQERHN-NSHDSACASA-N 1 0 228.336 2.411 20 5 BEBDRO CCSCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000164832623 384201756 /nfs/dbraw/zinc/20/17/56/384201756.db2.gz NLUCJIYQFMOIBS-UHFFFAOYSA-N 1 0 240.328 2.438 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000229601262 384389063 /nfs/dbraw/zinc/38/90/63/384389063.db2.gz PPUULDLSJCBJQA-QWRGUYRKSA-N 1 0 249.314 2.456 20 5 BEBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000289807643 384472397 /nfs/dbraw/zinc/47/23/97/384472397.db2.gz MQUADALYZSKYPY-GFCCVEGCSA-N 1 0 238.287 2.109 20 5 BEBDRO CC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000289948539 384526210 /nfs/dbraw/zinc/52/62/10/384526210.db2.gz XJUBKXKETQXHCR-VIFPVBQESA-N 1 0 244.316 2.171 20 5 BEBDRO C[C@@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020083128 384575586 /nfs/dbraw/zinc/57/55/86/384575586.db2.gz QEPKZXAERBXQOO-MRVPVSSYSA-N 1 0 206.245 2.408 20 5 BEBDRO C[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000098005651 384581221 /nfs/dbraw/zinc/58/12/21/384581221.db2.gz MZPQHGRQDJKGOM-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC2)cs1 ZINC000052208653 385244681 /nfs/dbraw/zinc/24/46/81/385244681.db2.gz GWQFDWNLXYFIML-UHFFFAOYSA-N 1 0 212.274 2.298 20 5 BEBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191200972 387354304 /nfs/dbraw/zinc/35/43/04/387354304.db2.gz DRKDRVXXIUCKCJ-UWVGGRQHSA-N 1 0 238.287 2.280 20 5 BEBDRO CO[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191204160 387354695 /nfs/dbraw/zinc/35/46/95/387354695.db2.gz WUPVXSQXHCVWTB-JTQLQIEISA-N 1 0 238.287 2.028 20 5 BEBDRO Cc1cc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000168974378 387373669 /nfs/dbraw/zinc/37/36/69/387373669.db2.gz CDLZYBGSGBYCNT-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130038918 387435522 /nfs/dbraw/zinc/43/55/22/387435522.db2.gz XQYBSTIZULXJAM-ZJUUUORDSA-N 1 0 238.287 2.108 20 5 BEBDRO COCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152119857 387601852 /nfs/dbraw/zinc/60/18/52/387601852.db2.gz FCCMATPHBLHMTN-SNVBAGLBSA-N 1 0 238.287 2.200 20 5 BEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602451 387753788 /nfs/dbraw/zinc/75/37/88/387753788.db2.gz MOOKDSMLZAAMOL-UHFFFAOYSA-N 1 0 206.245 2.189 20 5 BEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177151 388191291 /nfs/dbraw/zinc/19/12/91/388191291.db2.gz BWOPKIMENZYADG-KOLCDFICSA-N 1 0 238.287 2.016 20 5 BEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000163251449 388374217 /nfs/dbraw/zinc/37/42/17/388374217.db2.gz WSCCFEFJXKNLBW-ZJUUUORDSA-N 1 0 238.287 2.108 20 5 BEBDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124408504 388747404 /nfs/dbraw/zinc/74/74/04/388747404.db2.gz LITRYCCUMIVBSC-CABZTGNLSA-N 1 0 238.287 2.016 20 5 BEBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281728312 388806173 /nfs/dbraw/zinc/80/61/73/388806173.db2.gz DKJWDVZZCDRHJX-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO CSC[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000124977270 388764226 /nfs/dbraw/zinc/76/42/26/388764226.db2.gz CHQJXUMRTQBGRD-SSDOTTSWSA-N 1 0 246.357 2.497 20 5 BEBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000070534457 132231128 /nfs/dbraw/zinc/23/11/28/132231128.db2.gz QIQCKFHRYNPAMD-MNOVXSKESA-N 1 0 249.314 2.158 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H]2C[NH3+])c1 ZINC000094663264 132239207 /nfs/dbraw/zinc/23/92/07/132239207.db2.gz GSJBYYPTAFMAPO-NSHDSACASA-N 1 0 249.314 2.221 20 5 BEBDRO C[C@H]([NH3+])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000113209147 132268321 /nfs/dbraw/zinc/26/83/21/132268321.db2.gz ZDPWKAPQNHLUAU-JTQLQIEISA-N 1 0 249.314 2.158 20 5 BEBDRO C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253195215 135123824 /nfs/dbraw/zinc/12/38/24/135123824.db2.gz RGBRYCFBOOWULH-WDEREUQCSA-N 1 0 249.314 2.016 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@](C)(C[NH3+])C2)c1 ZINC000261577761 135219221 /nfs/dbraw/zinc/21/92/21/135219221.db2.gz OPFCEVDSGLDMMN-CYBMUJFWSA-N 1 0 249.314 2.078 20 5 BEBDRO CC(C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000053302720 167004490 /nfs/dbraw/zinc/00/44/90/167004490.db2.gz ZEIJVSYKZOFLDR-UHFFFAOYSA-N 1 0 222.288 2.383 20 5 BEBDRO CC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020017171 171343508 /nfs/dbraw/zinc/34/35/08/171343508.db2.gz DPWGDJVGRUWDLM-VIFPVBQESA-N 1 0 238.287 2.492 20 5 BEBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1 ZINC000003035153 172474109 /nfs/dbraw/zinc/47/41/09/172474109.db2.gz STAQVWPHBXCQDP-UHFFFAOYSA-N 1 0 226.301 2.249 20 5 BEBDRO COCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044349721 174200594 /nfs/dbraw/zinc/20/05/94/174200594.db2.gz STBAXURJNHWPDU-UHFFFAOYSA-N 1 0 238.287 2.111 20 5 BEBDRO COCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994596 174248290 /nfs/dbraw/zinc/24/82/90/174248290.db2.gz JJXSWGOGRYXCDG-UHFFFAOYSA-N 1 0 238.287 2.029 20 5 BEBDRO COCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020143008 174250048 /nfs/dbraw/zinc/25/00/48/174250048.db2.gz KTUPUIDGERMIIM-SNVBAGLBSA-N 1 0 238.287 2.282 20 5 BEBDRO COCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000045035672 174384383 /nfs/dbraw/zinc/38/43/83/174384383.db2.gz HOECUSWATNGBOA-SNVBAGLBSA-N 1 0 238.287 2.109 20 5 BEBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263726481 176169667 /nfs/dbraw/zinc/16/96/67/176169667.db2.gz PJQISJOHBOFTOU-LLVKDONJSA-N 1 0 234.299 2.479 20 5 BEBDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000087010518 176834513 /nfs/dbraw/zinc/83/45/13/176834513.db2.gz OCZRLTUJGRHTFN-VIFPVBQESA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299616788 177163247 /nfs/dbraw/zinc/16/32/47/177163247.db2.gz IQTAJWMJAMAKGW-JTQLQIEISA-N 1 0 220.272 2.437 20 5 BEBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000309331565 177195434 /nfs/dbraw/zinc/19/54/34/177195434.db2.gz SLYMTFVZDCWPEP-ONGXEEELSA-N 1 0 220.272 2.483 20 5 BEBDRO COCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152119571 323128052 /nfs/dbraw/zinc/12/80/52/323128052.db2.gz CAQUVNNAXUHUTK-JTQLQIEISA-N 1 0 238.287 2.200 20 5 BEBDRO CCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000063756013 323163282 /nfs/dbraw/zinc/16/32/82/323163282.db2.gz HNLDOLGFEJIDBZ-UHFFFAOYSA-N 1 0 238.287 2.445 20 5 BEBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895739501 583714330 /nfs/dbraw/zinc/71/43/30/583714330.db2.gz FLWQEXISOFFHRZ-SFYZADRCSA-N 1 0 241.316 2.161 20 5 BEBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899860331 584242402 /nfs/dbraw/zinc/24/24/02/584242402.db2.gz JWISLMDJGVLRMR-LLVKDONJSA-N 1 0 222.288 2.047 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCc1cccc2ccccc21 ZINC000899869632 584244755 /nfs/dbraw/zinc/24/47/55/584244755.db2.gz HVTKGRQGQIERJY-UHFFFAOYSA-N 1 0 244.294 2.249 20 5 BEBDRO Cc1ccc([C@H]([NH2+]CC[N+](=O)[O-])C2CC2)cc1 ZINC000899863874 584244836 /nfs/dbraw/zinc/24/48/36/584244836.db2.gz BLWWTIKMZOODKE-ZDUSSCGKSA-N 1 0 234.299 2.312 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CC1CCCCCCC1 ZINC000899874003 584245363 /nfs/dbraw/zinc/24/53/63/584245363.db2.gz XEICJSLOCAZDFW-UHFFFAOYSA-N 1 0 214.309 2.213 20 5 BEBDRO C[C@H]1CCC[C@H](C2C[NH+](CC[N+](=O)[O-])C2)C1 ZINC000899893130 584248631 /nfs/dbraw/zinc/24/86/31/584248631.db2.gz LNJFPBBJUIHKNB-QWRGUYRKSA-N 1 0 226.320 2.021 20 5 BEBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000774534317 585661003 /nfs/dbraw/zinc/66/10/03/585661003.db2.gz MRVCWGGHNWWSHM-NSHDSACASA-N 1 0 249.314 2.491 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000791051359 585972625 /nfs/dbraw/zinc/97/26/25/585972625.db2.gz BKTDKQHCZMILMX-GFCCVEGCSA-N 1 0 224.304 2.085 20 5 BEBDRO O=[N+]([O-])CC[N@H+](CC1CCCCC1)C1CC1 ZINC000791054156 585973175 /nfs/dbraw/zinc/97/31/75/585973175.db2.gz YBXFKUWHVIEVIX-UHFFFAOYSA-N 1 0 226.320 2.308 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000791054808 585973254 /nfs/dbraw/zinc/97/32/54/585973254.db2.gz YIGINLFOUHYFFR-VIFPVBQESA-N 1 0 226.301 2.162 20 5 BEBDRO Cc1ccc([C@@H](C)[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000791053760 585973475 /nfs/dbraw/zinc/97/34/75/585973475.db2.gz OYWHDXYNHXJLIR-LLVKDONJSA-N 1 0 222.288 2.265 20 5 BEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000797519084 586127992 /nfs/dbraw/zinc/12/79/92/586127992.db2.gz UFHWVPAYGNKDEK-JOYOIKCWSA-N 1 0 248.282 2.198 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355848 586888289 /nfs/dbraw/zinc/88/82/89/586888289.db2.gz JUSHDMXNUGSXRD-QPUJVOFHSA-N 1 0 247.298 2.380 20 5 BEBDRO CCC(N)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842648018 588048385 /nfs/dbraw/zinc/04/83/85/588048385.db2.gz LSWIJBVUUVGIHQ-UHFFFAOYSA-N 1 0 241.222 2.142 20 5 BEBDRO CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873007688 589979356 /nfs/dbraw/zinc/97/93/56/589979356.db2.gz AFHIVUWBTNAIPH-UHFFFAOYSA-N 1 0 208.261 2.321 20 5 BEBDRO C[C@H]1C[C@H](C)C[NH+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885943753 592111850 /nfs/dbraw/zinc/11/18/50/592111850.db2.gz BRBINZUIIFUFON-QWRGUYRKSA-N 1 0 249.314 2.468 20 5 BEBDRO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000886006471 592129234 /nfs/dbraw/zinc/12/92/34/592129234.db2.gz RYZXNKNQQCIMKY-UHFFFAOYSA-N 1 0 235.287 2.222 20 5 BEBDRO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C ZINC000886098423 592147371 /nfs/dbraw/zinc/14/73/71/592147371.db2.gz MBZULQFLHIAVDM-QWRGUYRKSA-N 1 0 249.314 2.468 20 5 BEBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886098422 592147743 /nfs/dbraw/zinc/14/77/43/592147743.db2.gz MBZULQFLHIAVDM-MNOVXSKESA-N 1 0 249.314 2.468 20 5 BEBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886169835 592168044 /nfs/dbraw/zinc/16/80/44/592168044.db2.gz JPBIENYNCAIGIQ-ONGXEEELSA-N 1 0 235.287 2.268 20 5 BEBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163621 631888425 /nfs/dbraw/zinc/88/84/25/631888425.db2.gz OFPFBMMQDBMRDU-WDEREUQCSA-N 1 0 249.314 2.395 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000309383814 632022840 /nfs/dbraw/zinc/02/28/40/632022840.db2.gz DSOOHGMIUVMWRV-GHMZBOCLSA-N 1 0 222.288 2.045 20 5 BEBDRO C[C@@H]([NH3+])CNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235179326 632460827 /nfs/dbraw/zinc/46/08/27/632460827.db2.gz AOTIZHXCQJKUNY-RXMQYKEDSA-N 1 0 247.657 2.146 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000229601279 632980607 /nfs/dbraw/zinc/98/06/07/632980607.db2.gz PPUULDLSJCBJQA-WDEREUQCSA-N 1 0 249.314 2.456 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000930741911 634080948 /nfs/dbraw/zinc/08/09/48/634080948.db2.gz BTJCXFSTZWSOSG-WDEREUQCSA-N 1 0 228.336 2.410 20 5 BEBDRO Cc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089105861 636373520 /nfs/dbraw/zinc/37/35/20/636373520.db2.gz RIMVLGHUSLCAFA-GHMZBOCLSA-N 1 0 249.314 2.443 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCCc1ccc(Cl)cc1 ZINC000905083338 637583003 /nfs/dbraw/zinc/58/30/03/637583003.db2.gz WDFJXESCQITMOE-UHFFFAOYSA-N 1 0 242.706 2.139 20 5 BEBDRO CCC(CC)(CC)C[NH2+]CC[N+](=O)[O-] ZINC000905160245 637638407 /nfs/dbraw/zinc/63/84/07/637638407.db2.gz QOYPXCGPWIYCOQ-UHFFFAOYSA-N 1 0 202.298 2.069 20 5 BEBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Sc1ccccc1 ZINC000905132983 637643530 /nfs/dbraw/zinc/64/35/30/637643530.db2.gz DMGYSAGTJHZPKF-JTQLQIEISA-N 1 0 240.328 2.034 20 5 BEBDRO C[C@@H](CC[NH2+]CC[N+](=O)[O-])CC(C)(C)C ZINC000905230848 637690055 /nfs/dbraw/zinc/69/00/55/637690055.db2.gz RTQNMCHQYDJXJB-JTQLQIEISA-N 1 0 216.325 2.315 20 5 BEBDRO Cc1oc2ccccc2c1C[NH2+]CC[N+](=O)[O-] ZINC000905217156 637699460 /nfs/dbraw/zinc/69/94/60/637699460.db2.gz WRVMGIAGMNVESI-UHFFFAOYSA-N 1 0 234.255 2.108 20 5 BEBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])ccc1Cl ZINC000905214349 637700057 /nfs/dbraw/zinc/70/00/57/637700057.db2.gz UCEYPZZZUWTFDJ-UHFFFAOYSA-N 1 0 228.679 2.015 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000905250483 637710418 /nfs/dbraw/zinc/71/04/18/637710418.db2.gz ZZCZGFKLOIBOBX-LBPRGKRZSA-N 1 0 238.262 2.069 20 5 BEBDRO CC[C@H](CCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905391557 637807029 /nfs/dbraw/zinc/80/70/29/637807029.db2.gz VWVXZEREXRJQJK-CYBMUJFWSA-N 1 0 236.315 2.264 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000930371750 639734685 /nfs/dbraw/zinc/73/46/85/639734685.db2.gz WWOOEXCTNROKEQ-UHFFFAOYSA-N 1 0 222.288 2.130 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000930666007 639854434 /nfs/dbraw/zinc/85/44/34/639854434.db2.gz GTMDLLUALQZILG-GARJFASQSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000930813762 639917090 /nfs/dbraw/zinc/91/70/90/639917090.db2.gz HWCRNHYAZGVLKG-UHFFFAOYSA-N 1 0 238.262 2.071 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000931373841 640170316 /nfs/dbraw/zinc/17/03/16/640170316.db2.gz FSOUNQJUGPTASB-CHWSQXEVSA-N 1 0 234.299 2.189 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000931506685 640237933 /nfs/dbraw/zinc/23/79/33/640237933.db2.gz AFOYOXQJZMUSRK-GFCCVEGCSA-N 1 0 226.320 2.165 20 5 BEBDRO CO[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000224210829 640606143 /nfs/dbraw/zinc/60/61/43/640606143.db2.gz GGKZUWBGLKPFJA-SECBINFHSA-N 1 0 238.287 2.028 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227902811 640851796 /nfs/dbraw/zinc/85/17/96/640851796.db2.gz DKZFSRWWQCNMGH-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929694720 641400528 /nfs/dbraw/zinc/40/05/28/641400528.db2.gz ZEGOJGYQGLWOHG-MNOVXSKESA-N 1 0 214.309 2.164 20 5 BEBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089092111 644534725 /nfs/dbraw/zinc/53/47/25/644534725.db2.gz RVQMNUMRGWODBC-ZJUUUORDSA-N 1 0 235.287 2.134 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000929290553 646066412 /nfs/dbraw/zinc/06/64/12/646066412.db2.gz WRUUJLXWXUDELS-CQSZACIVSA-N 1 0 248.326 2.360 20 5 BEBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929768385 646297504 /nfs/dbraw/zinc/29/75/04/646297504.db2.gz JEIIBVPDJPVCBI-OCCSQVGLSA-N 1 0 248.326 2.216 20 5 BEBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930005544 646393412 /nfs/dbraw/zinc/39/34/12/646393412.db2.gz MKPCZQJYHSSDMA-MNOVXSKESA-N 1 0 214.309 2.164 20 5 BEBDRO CC1(C)CC([NH2+]CC[N+](=O)[O-])CC(C)(C)C1 ZINC000905202984 711812620 /nfs/dbraw/zinc/81/26/20/711812620.db2.gz UMPBLTPVTNVZQH-UHFFFAOYSA-N 1 0 228.336 2.458 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CSC1 ZINC000700477123 711994539 /nfs/dbraw/zinc/99/45/39/711994539.db2.gz JYKRNGPNWRLZPM-UHFFFAOYSA-N 1 0 238.312 2.047 20 5 BEBDRO C[C@@H]([NH2+]C1CSC1)c1ccc([N+](=O)[O-])cc1 ZINC000706495790 712147511 /nfs/dbraw/zinc/14/75/11/712147511.db2.gz QOWMKQUQXLERBF-MRVPVSSYSA-N 1 0 238.312 2.361 20 5 BEBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000719620766 712817379 /nfs/dbraw/zinc/81/73/79/712817379.db2.gz AAVWDNWOMOGBBO-CMPLNLGQSA-N 1 0 249.314 2.408 20 5 BEBDRO C[C@@H]([NH3+])CCNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000133130268 1166169197 /nfs/dbraw/zinc/16/91/97/1166169197.db2.gz XSYYZWTVEKLCBU-ZCFIWIBFSA-N 1 0 245.229 2.022 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001168961908 969311862 /nfs/dbraw/zinc/31/18/62/969311862.db2.gz LEBPOCDXFIOADP-PSASIEDQSA-N 1 0 248.273 2.067 20 5 BEBDRO CCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958773 969309835 /nfs/dbraw/zinc/30/98/35/969309835.db2.gz PMNODRFZQIAHAD-WDEREUQCSA-N 1 0 214.309 2.212 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCC1 ZINC001169004050 969325474 /nfs/dbraw/zinc/32/54/74/969325474.db2.gz PHTKPRYOXYQUDR-HOSYDEDBSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2C=CCCC2)C1 ZINC001169000612 969327260 /nfs/dbraw/zinc/32/72/60/969327260.db2.gz YAYCPGTUUSFMDE-GRYCIOLGSA-N 1 0 224.304 2.130 20 5 BEBDRO CC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006241 969329240 /nfs/dbraw/zinc/32/92/40/969329240.db2.gz GJHIELDUPUFQHG-NEPJUHHUSA-N 1 0 226.320 2.164 20 5 BEBDRO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009818 969336001 /nfs/dbraw/zinc/33/60/01/969336001.db2.gz YHCLKYUSYLUGIC-WOPDTQHZSA-N 1 0 226.320 2.164 20 5 BEBDRO CC1(C)CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010218 969338944 /nfs/dbraw/zinc/33/89/44/969338944.db2.gz ZZGUOHAHRFOUBC-GHMZBOCLSA-N 1 0 226.320 2.306 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[NH+](C)C ZINC000036950036 1166764975 /nfs/dbraw/zinc/76/49/75/1166764975.db2.gz RFSLYCFSCYASKG-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO CC(C)([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC001333496906 975817648 /nfs/dbraw/zinc/81/76/48/975817648.db2.gz ILPAMEFXJXLZKZ-UHFFFAOYSA-N 1 0 214.309 2.212 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1C1CC1 ZINC001229014942 1167433988 /nfs/dbraw/zinc/43/39/88/1167433988.db2.gz NLNWNKHZWYCVDC-LLVKDONJSA-N 1 0 235.351 2.433 20 5 BEBDRO C[C@H](C[NH+](C)C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904310 974723417 /nfs/dbraw/zinc/72/34/17/974723417.db2.gz BFFRVCNBHQWHDJ-MRVPVSSYSA-N 1 0 242.250 2.063 20 5 BEBDRO C[C@@H]1CC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224624021 973808393 /nfs/dbraw/zinc/80/83/93/973808393.db2.gz SYJSMPMRGAFRRH-VXGBXAGGSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@H](Cc1ccccc1)OCC[N+](C)(C)C ZINC001224776708 973941784 /nfs/dbraw/zinc/94/17/84/973941784.db2.gz YNOGAQYUJXUOPE-CYBMUJFWSA-N 1 0 222.352 2.340 20 5 BEBDRO C[C@@H](OCC[N+](C)(C)C)c1cccnc1F ZINC001224776259 973942319 /nfs/dbraw/zinc/94/23/19/973942319.db2.gz UAZOROJWKDWTEX-SNVBAGLBSA-N 1 0 227.303 2.005 20 5 BEBDRO C[C@H](OCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001217887091 971483301 /nfs/dbraw/zinc/48/33/01/971483301.db2.gz FAXXNTUIHUGLAR-VIFPVBQESA-N 1 0 224.260 2.021 20 5 BEBDRO COc1cc(C)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225338048 974413297 /nfs/dbraw/zinc/41/32/97/974413297.db2.gz SRQGTSRFYOCMSP-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO COc1cccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001225444787 974493716 /nfs/dbraw/zinc/49/37/16/974493716.db2.gz BJEZKDIWPCYNIY-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1ccccc1 ZINC001204638141 960380345 /nfs/dbraw/zinc/38/03/45/960380345.db2.gz DZCJEULYQVOUTQ-GFCCVEGCSA-N 1 0 208.325 2.298 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1ccsc1 ZINC001223335284 961214757 /nfs/dbraw/zinc/21/47/57/961214757.db2.gz DNSXJQVPHYZZQF-JTQLQIEISA-N 1 0 214.354 2.359 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cncnc21 ZINC001227972475 963639820 /nfs/dbraw/zinc/63/98/20/963639820.db2.gz OWTGWROWTQCDKA-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[N+](C)(C)CCO[C@H](c1cccnc1)C1CC1 ZINC001224776458 964940371 /nfs/dbraw/zinc/94/03/71/964940371.db2.gz VWKGJXMZKKLHCQ-AWEZNQCLSA-N 1 0 235.351 2.256 20 5 BEBDRO CCc1cc(Nc2ccc([N+](=O)[O-])nc2)cc[nH+]1 ZINC001203568905 966697525 /nfs/dbraw/zinc/69/75/25/966697525.db2.gz JIISQMIJPMNBOU-UHFFFAOYSA-N 1 0 244.254 2.113 20 5 BEBDRO CC[N+](C)(C)Cc1ccccc1NC#N ZINC001168630876 967142814 /nfs/dbraw/zinc/14/28/14/967142814.db2.gz GCQGLMLKKQQGNT-UHFFFAOYSA-N 1 0 204.297 2.176 20 5 BEBDRO Cc1c[nH+]ccc1Nc1ccccc1[N+](=O)[O-] ZINC001206140474 968083095 /nfs/dbraw/zinc/08/30/95/968083095.db2.gz VLYLMAGMESFOPB-UHFFFAOYSA-N 1 0 229.239 2.464 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC001168978353 969298348 /nfs/dbraw/zinc/29/83/48/969298348.db2.gz RGSGUZFIQNULPA-BXKDBHETSA-N 1 0 238.331 2.210 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccoc1 ZINC001168985569 969300263 /nfs/dbraw/zinc/30/02/63/969300263.db2.gz SZXSQIMLOWBHKQ-HOSYDEDBSA-N 1 0 238.287 2.376 20 5 BEBDRO CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168955448 969305170 /nfs/dbraw/zinc/30/51/70/969305170.db2.gz AMRPNDWFNFMXIA-NXEZZACHSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC001168955849 969305420 /nfs/dbraw/zinc/30/54/20/969305420.db2.gz CSISXTOLZXLVGH-ZYHUDNBSSA-N 1 0 226.320 2.354 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccs2)C1 ZINC001168958061 969306237 /nfs/dbraw/zinc/30/62/37/969306237.db2.gz LJEJCZPMHANGBQ-ZJUUUORDSA-N 1 0 240.328 2.283 20 5 BEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001168957771 969306953 /nfs/dbraw/zinc/30/69/53/969306953.db2.gz IPLKMMLTAYPKIE-MNOVXSKESA-N 1 0 238.287 2.123 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccs2)C1 ZINC001168958058 969307614 /nfs/dbraw/zinc/30/76/14/969307614.db2.gz LJEJCZPMHANGBQ-NXEZZACHSA-N 1 0 240.328 2.283 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001168958810 969309683 /nfs/dbraw/zinc/30/96/83/969309683.db2.gz PZHBWHDRRBMXQT-KBPBESRZSA-N 1 0 248.326 2.264 20 5 BEBDRO CCC(CC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958790 969310281 /nfs/dbraw/zinc/31/02/81/969310281.db2.gz PRGPCVABEPSVQM-MWLCHTKSSA-N 1 0 214.309 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001168958811 969310412 /nfs/dbraw/zinc/31/04/12/969310412.db2.gz PZHBWHDRRBMXQT-KGLIPLIRSA-N 1 0 248.326 2.264 20 5 BEBDRO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959431 969310702 /nfs/dbraw/zinc/31/07/02/969310702.db2.gz VWQGDJFHCNODQT-HBNTYKKESA-N 1 0 214.309 2.066 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC001168963810 969314595 /nfs/dbraw/zinc/31/45/95/969314595.db2.gz QCOXUYHBUNWUQP-BBBLOLIVSA-N 1 0 248.273 2.209 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168968108 969321141 /nfs/dbraw/zinc/32/11/41/969321141.db2.gz WBGOLFWVNJPRCL-HBNTYKKESA-N 1 0 228.336 2.456 20 5 BEBDRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968914 969321925 /nfs/dbraw/zinc/32/19/25/969321925.db2.gz BHUBUZKCTQKMGT-SDDRHHMPSA-N 1 0 228.336 2.456 20 5 BEBDRO CC(C)[C@@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975279 969324364 /nfs/dbraw/zinc/32/43/64/969324364.db2.gz VWQGDJFHCNODQT-GMTAPVOTSA-N 1 0 214.309 2.066 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2Cc3ccccc3C2)C1 ZINC001169006277 969329024 /nfs/dbraw/zinc/32/90/24/969329024.db2.gz GMQKAXIGHYNBKC-BXUZGUMPSA-N 1 0 246.310 2.448 20 5 BEBDRO CC(C)C[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007077 969329635 /nfs/dbraw/zinc/32/96/35/969329635.db2.gz KRGRLLDGXYLPSL-GHMZBOCLSA-N 1 0 214.309 2.020 20 5 BEBDRO C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008246 969332799 /nfs/dbraw/zinc/33/27/99/969332799.db2.gz SKSXWUGSEIJGHA-WOPDTQHZSA-N 1 0 226.320 2.306 20 5 BEBDRO C[N@H+](C1CC(F)(F)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009650 969332959 /nfs/dbraw/zinc/33/29/59/969332959.db2.gz WVHVEVVYIBVRJI-IUCAKERBSA-N 1 0 248.273 2.161 20 5 BEBDRO C[C@]1(F)CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011576 969337196 /nfs/dbraw/zinc/33/71/96/969337196.db2.gz LCHXRZNBZBVJRW-TUAOUCFPSA-N 1 0 244.310 2.256 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CF)C2)C1 ZINC001169034975 969353898 /nfs/dbraw/zinc/35/38/98/969353898.db2.gz JDRSTHZANQUKMI-UTUOFQBUSA-N 1 0 244.310 2.113 20 5 BEBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036631 969357458 /nfs/dbraw/zinc/35/74/58/969357458.db2.gz HCXXGSGHUQCYDC-SRVKXCTJSA-N 1 0 240.347 2.410 20 5 BEBDRO C[N@H+](CCC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039141 969357564 /nfs/dbraw/zinc/35/75/64/969357564.db2.gz NNSNFXFEHXGRAJ-RYUDHWBXSA-N 1 0 226.320 2.164 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC=CC1 ZINC001254550526 969737752 /nfs/dbraw/zinc/73/77/52/969737752.db2.gz LEJCNJPMQXJEGT-LLVKDONJSA-N 1 0 232.283 2.398 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001254552072 969738118 /nfs/dbraw/zinc/73/81/18/969738118.db2.gz IZBMZCAANDBHNW-RTXFEEFZSA-N 1 0 246.310 2.478 20 5 BEBDRO CCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568838 969739583 /nfs/dbraw/zinc/73/95/83/969739583.db2.gz UXXRRTLCOTXBJZ-GFCCVEGCSA-N 1 0 234.299 2.452 20 5 BEBDRO CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568378 969741811 /nfs/dbraw/zinc/74/18/11/969741811.db2.gz TZOPRFQVDQDWEI-LLVKDONJSA-N 1 0 232.283 2.204 20 5 BEBDRO COc1ccc(CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001210345536 969872193 /nfs/dbraw/zinc/87/21/93/969872193.db2.gz MNLYYCBTBQOFNL-GFCCVEGCSA-N 1 0 238.351 2.307 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1noc2ccccc12 ZINC001223609951 973192164 /nfs/dbraw/zinc/19/21/64/973192164.db2.gz PHMJRRSWDJYURH-NSHDSACASA-N 1 0 249.334 2.439 20 5 BEBDRO C[C@H](C[N+](C)(C)C)O[C@H](C)c1ccccn1 ZINC001223997023 973388849 /nfs/dbraw/zinc/38/88/49/973388849.db2.gz UOBKLEKNLXTXMR-VXGBXAGGSA-N 1 0 223.340 2.254 20 5 BEBDRO C[C@@H](O[C@@H](C)C[N+](C)(C)C)c1nccs1 ZINC001224010230 973405146 /nfs/dbraw/zinc/40/51/46/973405146.db2.gz ZWZVOJDVSRDWJH-VHSXEESVSA-N 1 0 229.369 2.315 20 5 BEBDRO C[C@H](C[N+](C)(C)C)O[C@@H](C)c1nccs1 ZINC001224010231 973406098 /nfs/dbraw/zinc/40/60/98/973406098.db2.gz ZWZVOJDVSRDWJH-ZJUUUORDSA-N 1 0 229.369 2.315 20 5 BEBDRO CC1(C)C[C@@H](OCCC[N+](C)(C)C)CCO1 ZINC001224623811 973808028 /nfs/dbraw/zinc/80/80/28/973808028.db2.gz QZBHANFMDYUBKQ-LBPRGKRZSA-N 1 0 230.372 2.057 20 5 BEBDRO C[C@@H]1CCCC[C@H]1OCC[N+](C)(C)C ZINC001224772209 973935990 /nfs/dbraw/zinc/93/59/90/973935990.db2.gz WYXLORSDECSYOV-VXGBXAGGSA-N 1 0 200.346 2.288 20 5 BEBDRO COc1cccc([C@@H](C)OCC[N+](C)(C)C)c1 ZINC001224775726 973942596 /nfs/dbraw/zinc/94/25/96/973942596.db2.gz NZJXNZQOTXEDAC-GFCCVEGCSA-N 1 0 238.351 2.479 20 5 BEBDRO COc1cc(C)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225263127 974326609 /nfs/dbraw/zinc/32/66/09/974326609.db2.gz ZNDIVXKXIWSVHV-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)CC2 ZINC001225359092 974441133 /nfs/dbraw/zinc/44/11/33/974441133.db2.gz SOHLBWDMLNVBHU-LLVKDONJSA-N 1 0 248.346 2.289 20 5 BEBDRO Cc1ccc2[nH]c(O[C@H](C)C[N+](C)(C)C)nc2c1 ZINC001226508206 974931903 /nfs/dbraw/zinc/93/19/03/974931903.db2.gz IZPYIRQZNMDGGY-LLVKDONJSA-N 1 0 248.350 2.345 20 5 BEBDRO Cc1ccc(O[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001226951331 975183099 /nfs/dbraw/zinc/18/30/99/975183099.db2.gz YMUGNEMHJZCCJH-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO Cc1[nH]nc2c1cccc2O[C@@H](C)C[N+](C)(C)C ZINC001227080045 975253847 /nfs/dbraw/zinc/25/38/47/975253847.db2.gz PWLUZJZXDTZUCV-JTQLQIEISA-N 1 0 248.350 2.345 20 5 BEBDRO Cc1cc(C)nc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227247611 975327094 /nfs/dbraw/zinc/32/70/94/975327094.db2.gz JONRXALALVUQAW-LBPRGKRZSA-N 1 0 223.340 2.172 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523555 975504827 /nfs/dbraw/zinc/50/48/27/975504827.db2.gz MIBFWIRISKEODT-JTQLQIEISA-N 1 0 239.295 2.068 20 5 BEBDRO COCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227675644 975596424 /nfs/dbraw/zinc/59/64/24/975596424.db2.gz XDDWXQUDDTTZFQ-LBPRGKRZSA-N 1 0 238.351 2.307 20 5 BEBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001333441998 975779510 /nfs/dbraw/zinc/77/95/10/975779510.db2.gz LBPKJBOULDQKPX-VXGBXAGGSA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2cccnc21 ZINC001228805571 976498246 /nfs/dbraw/zinc/49/82/46/976498246.db2.gz HTIMBZLKQILHQA-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1F ZINC001228833565 976507667 /nfs/dbraw/zinc/50/76/67/976507667.db2.gz FKACFTVRXNIZFE-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001334783576 976657576 /nfs/dbraw/zinc/65/75/76/976657576.db2.gz HXTABQWAYFMOLS-ZDUSSCGKSA-N 1 0 234.299 2.490 20 5 BEBDRO Cc1cc(Nc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001174475201 976789717 /nfs/dbraw/zinc/78/97/17/976789717.db2.gz BGPUGOOIAZVQLV-UHFFFAOYSA-N 1 0 229.239 2.464 20 5 BEBDRO CN(c1ccc([N+](=O)[O-])cc1)c1cc(N)cc[nH+]1 ZINC001174478121 976800587 /nfs/dbraw/zinc/80/05/87/976800587.db2.gz OLOQBQPBOJXEQL-UHFFFAOYSA-N 1 0 244.254 2.340 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)ccc1O ZINC001230294890 977167881 /nfs/dbraw/zinc/16/78/81/977167881.db2.gz JUWOYPMBKKOQAX-SECBINFHSA-O 1 0 228.287 2.005 20 5 BEBDRO Cn1c[nH+]cc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175901264 977811978 /nfs/dbraw/zinc/81/19/78/977811978.db2.gz MNZMKRQTUMLKIC-VOTSOKGWSA-N 1 0 244.254 2.411 20 5 BEBDRO O=[N+]([O-])C=Cc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001175900639 977812347 /nfs/dbraw/zinc/81/23/47/977812347.db2.gz RWTFQIZRMZKETN-JXMROGBWSA-N 1 0 241.250 2.495 20 5 BEBDRO C[C@H](OCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001206277738 978135482 /nfs/dbraw/zinc/13/54/82/978135482.db2.gz FUDIVMSDVZWFJC-JTQLQIEISA-N 1 0 238.287 2.234 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(F)cc1O ZINC001233975420 978746227 /nfs/dbraw/zinc/74/62/27/978746227.db2.gz WOSMBDVQLLKSGD-MRVPVSSYSA-O 1 0 246.277 2.144 20 5 BEBDRO CCc1cccnc1O[C@@H](C)C[N+](C)(C)C ZINC001234578141 978862966 /nfs/dbraw/zinc/86/29/66/978862966.db2.gz KUTWQJUSGLDJGT-NSHDSACASA-N 1 0 223.340 2.118 20 5 BEBDRO Cc1ccccc1[C@H]([NH2+]CC[N+](=O)[O-])C1CC1 ZINC001354486114 983313402 /nfs/dbraw/zinc/31/34/02/983313402.db2.gz VXWFMFJJIJVDDM-CYBMUJFWSA-N 1 0 234.299 2.312 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C1CCCCCC1 ZINC001459923486 985659078 /nfs/dbraw/zinc/65/90/78/985659078.db2.gz XDQWBLTTYQBNLU-JTQLQIEISA-N 1 0 214.309 2.212 20 5 BEBDRO CC1(C)C[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579076 986680281 /nfs/dbraw/zinc/68/02/81/986680281.db2.gz PJCCCQIEFHCRAS-DGCLKSJQSA-N 1 0 246.310 2.450 20 5 BEBDRO [NH3+]CCSc1ncc([N+](=O)[O-])c2ccccc21 ZINC001580315123 986744373 /nfs/dbraw/zinc/74/43/73/986744373.db2.gz GGZYQMZIKIFMSE-UHFFFAOYSA-N 1 0 249.295 2.194 20 5 BEBDRO Cc1[nH+]cn(C)c1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545370 989304904 /nfs/dbraw/zinc/30/49/04/989304904.db2.gz SCXBWSNJJBTHHG-UHFFFAOYSA-N 1 0 247.258 2.084 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c1 ZINC000043501534 1171294897 /nfs/dbraw/zinc/29/48/97/1171294897.db2.gz RFNWBWOWZMJZHO-JTQLQIEISA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000229610044 178189081 /nfs/dbraw/zinc/18/90/81/178189081.db2.gz CILWBGNCIBRXLH-PWSUYJOCSA-N 1 0 249.314 2.456 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255015 178273317 /nfs/dbraw/zinc/27/33/17/178273317.db2.gz ZPHGPCOOWQIOJM-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO C[C@@H]1C[C@@H]1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000488446669 398270824 /nfs/dbraw/zinc/27/08/24/398270824.db2.gz HLYLZRUUEXJBDX-ZYHUDNBSSA-N 1 0 234.299 2.383 20 5 BEBDRO C[N@H+](CCCF)CCc1ccccc1[N+](=O)[O-] ZINC000285267307 398319453 /nfs/dbraw/zinc/31/94/53/398319453.db2.gz IHNAMXNFRCPWMK-UHFFFAOYSA-N 1 0 240.278 2.429 20 5 BEBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268086 398319468 /nfs/dbraw/zinc/31/94/68/398319468.db2.gz QRHPWWIGTIRLKX-QXEWZRGKSA-N 1 0 249.314 2.484 20 5 BEBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268085 398319615 /nfs/dbraw/zinc/31/96/15/398319615.db2.gz QRHPWWIGTIRLKX-ATZCPNFKSA-N 1 0 249.314 2.484 20 5 BEBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)cc1 ZINC000166830797 136364315 /nfs/dbraw/zinc/36/43/15/136364315.db2.gz HSCHDXULUYPNKT-SNVBAGLBSA-N 1 0 235.287 2.149 20 5 BEBDRO C[C@H]1C[C@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000159221388 349820656 /nfs/dbraw/zinc/82/06/56/349820656.db2.gz AZICQMSBCPENCK-JQWIXIFHSA-N 1 0 234.299 2.383 20 5 BEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC=CCC2)cc1 ZINC000611517581 344748353 /nfs/dbraw/zinc/74/83/53/344748353.db2.gz SWNMRTIBELFPLI-UHFFFAOYSA-N 1 0 248.282 2.236 20 5 BEBDRO COc1cc(CN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611517120 344748858 /nfs/dbraw/zinc/74/88/58/344748858.db2.gz ACFXYCFPKAQIDY-UHFFFAOYSA-N 1 0 248.282 2.365 20 5 BEBDRO Cc1ccc(NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255318 178761372 /nfs/dbraw/zinc/76/13/72/178761372.db2.gz ZSTMHSLQLHAKDD-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC1 ZINC000449068650 201802010 /nfs/dbraw/zinc/80/20/10/201802010.db2.gz UAIULTNZRZNTRQ-SECBINFHSA-N 1 0 220.272 2.278 20 5 BEBDRO CSCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000070185009 345456952 /nfs/dbraw/zinc/45/69/52/345456952.db2.gz XVRFHZJTCJOUMI-UHFFFAOYSA-N 1 0 240.328 2.090 20 5 BEBDRO CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000091484513 345595034 /nfs/dbraw/zinc/59/50/34/345595034.db2.gz SEHYWMHJMBEUOP-ZDUSSCGKSA-N 1 0 249.314 2.125 20 5 BEBDRO CCc1ccc(OCCC[NH2+]C)c([N+](=O)[O-])c1 ZINC000070497926 345764775 /nfs/dbraw/zinc/76/47/75/345764775.db2.gz NCGCJIYOEIOXDC-UHFFFAOYSA-N 1 0 238.287 2.146 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]2)c1 ZINC000094663277 178929169 /nfs/dbraw/zinc/92/91/69/178929169.db2.gz SJTKQXHMRGFLRU-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO COC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995533 346114008 /nfs/dbraw/zinc/11/40/08/346114008.db2.gz LONNUXGACJVHOJ-JTQLQIEISA-N 1 0 238.287 2.028 20 5 BEBDRO Cc1cccc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000235781934 179143481 /nfs/dbraw/zinc/14/34/81/179143481.db2.gz RRLQGQGESIQXLW-UHFFFAOYSA-N 1 0 223.276 2.052 20 5 BEBDRO Cc1cccc(NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000235893413 179148155 /nfs/dbraw/zinc/14/81/55/179148155.db2.gz JNCSGKFZGJFFRA-JTQLQIEISA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@@H](C)[NH3+] ZINC000125757441 179206400 /nfs/dbraw/zinc/20/64/00/179206400.db2.gz NJSHSCMPYGNBTD-SECBINFHSA-N 1 0 223.276 2.052 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228084123 179207129 /nfs/dbraw/zinc/20/71/29/179207129.db2.gz SZJZCFUPDACMRR-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1noc(C[N@@H+](C)[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000595285925 348212178 /nfs/dbraw/zinc/21/21/78/348212178.db2.gz BXRMEADOKPCNKY-VIFPVBQESA-N 1 0 241.291 2.368 20 5 BEBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595419007 348244565 /nfs/dbraw/zinc/24/45/65/348244565.db2.gz VYRUOOWAGZYVBO-HTQZYQBOSA-N 1 0 241.291 2.415 20 5 BEBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595419010 348244703 /nfs/dbraw/zinc/24/47/03/348244703.db2.gz VYRUOOWAGZYVBO-YUMQZZPRSA-N 1 0 241.291 2.415 20 5 BEBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595455823 348254746 /nfs/dbraw/zinc/25/47/46/348254746.db2.gz VOHGRWQYOSMVBU-VXNVDRBHSA-N 1 0 239.275 2.169 20 5 BEBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595766965 348334704 /nfs/dbraw/zinc/33/47/04/348334704.db2.gz SSNQAKPFDFXORJ-VIFPVBQESA-N 1 0 239.275 2.169 20 5 BEBDRO Cc1cccc(NCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235935294 191024543 /nfs/dbraw/zinc/02/45/43/191024543.db2.gz FIYOVRMUTZQVFT-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])C[NH+](C)C ZINC000309336997 350321921 /nfs/dbraw/zinc/32/19/21/350321921.db2.gz JGCQMFJPYFQSMP-QMMMGPOBSA-N 1 0 243.332 2.266 20 5 BEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000032210062 350418626 /nfs/dbraw/zinc/41/86/26/350418626.db2.gz DQHVXQUJVZUYKF-JTQLQIEISA-N 1 0 237.303 2.204 20 5 BEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000035136408 188285112 /nfs/dbraw/zinc/28/51/12/188285112.db2.gz XFBPXVYMOKPJEB-SECBINFHSA-N 1 0 220.272 2.483 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCF)cc1 ZINC000088024638 356426798 /nfs/dbraw/zinc/42/67/98/356426798.db2.gz UGRBXLRNCPEVKS-UHFFFAOYSA-N 1 0 226.251 2.087 20 5 BEBDRO CC[C@H]([NH2+]C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601425 358002447 /nfs/dbraw/zinc/00/24/47/358002447.db2.gz YJMQFGOWDXPWOH-CABZTGNLSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124409082 358517271 /nfs/dbraw/zinc/51/72/71/358517271.db2.gz LITRYCCUMIVBSC-BXKDBHETSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[C@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000036721136 361388357 /nfs/dbraw/zinc/38/83/57/361388357.db2.gz ROPZYGMCWZBZGD-LBPRGKRZSA-N 1 0 238.287 2.018 20 5 BEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090795294 363880916 /nfs/dbraw/zinc/88/09/16/363880916.db2.gz YAKKAWOLXJYMNE-ZYHUDNBSSA-N 1 0 249.314 2.489 20 5 BEBDRO Cc1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000037715058 364542344 /nfs/dbraw/zinc/54/23/44/364542344.db2.gz QQNRQMIRXPTAMH-UHFFFAOYSA-N 1 0 223.276 2.054 20 5 BEBDRO COC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087680 370236152 /nfs/dbraw/zinc/23/61/52/370236152.db2.gz CBZBNTCDUNHVCM-UWVGGRQHSA-N 1 0 238.287 2.280 20 5 BEBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])s1 ZINC000309970185 370281692 /nfs/dbraw/zinc/28/16/92/370281692.db2.gz PBZBRYAMKPONRU-UHFFFAOYSA-N 1 0 243.332 2.408 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC2)cc1 ZINC000020037503 371219504 /nfs/dbraw/zinc/21/95/04/371219504.db2.gz IBJAFSOOLFIIPX-UHFFFAOYSA-N 1 0 206.245 2.094 20 5 BEBDRO Cc1cc(C)c(Cn2cnc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000601075227 371726821 /nfs/dbraw/zinc/72/68/21/371726821.db2.gz MKPWNPIEIFJLQC-UHFFFAOYSA-N 1 0 246.270 2.160 20 5 BEBDRO C[C@H](CF)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602664271 371827991 /nfs/dbraw/zinc/82/79/91/371827991.db2.gz YPPAOHSWBSVMEV-SECBINFHSA-N 1 0 226.251 2.085 20 5 BEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000044502821 182936425 /nfs/dbraw/zinc/93/64/25/182936425.db2.gz SLUZPWGGNOGATM-SNVBAGLBSA-N 1 0 235.287 2.006 20 5 BEBDRO C[C@@H](CF)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000288461185 383895288 /nfs/dbraw/zinc/89/52/88/383895288.db2.gz OAGSAWMPMHZNRP-QMMMGPOBSA-N 1 0 212.224 2.042 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000050269724 383986100 /nfs/dbraw/zinc/98/61/00/383986100.db2.gz QPOHVTLCKKXCHL-GFCCVEGCSA-N 1 0 248.282 2.377 20 5 BEBDRO C[C@@H](F)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000339482648 383987928 /nfs/dbraw/zinc/98/79/28/383987928.db2.gz IBXIRPRZZSZHRL-SECBINFHSA-N 1 0 226.251 2.433 20 5 BEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000091480270 384128749 /nfs/dbraw/zinc/12/87/49/384128749.db2.gz MIANLNMEKCJADG-SNVBAGLBSA-N 1 0 249.314 2.489 20 5 BEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000229884790 384280018 /nfs/dbraw/zinc/28/00/18/384280018.db2.gz KQVFFNLOMRJQFG-VIFPVBQESA-N 1 0 246.270 2.169 20 5 BEBDRO CC[C@H](COC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070658054 384613250 /nfs/dbraw/zinc/61/32/50/384613250.db2.gz FYJRDQISJSWHDY-SECBINFHSA-N 1 0 244.316 2.171 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC2)cc1 ZINC000083893437 384922158 /nfs/dbraw/zinc/92/21/58/384922158.db2.gz BYWOQEDIYIPAHT-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO CO[C@@H](C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000263823703 385147500 /nfs/dbraw/zinc/14/75/00/385147500.db2.gz RCFDKFKXKNBNDD-JTQLQIEISA-N 1 0 238.287 2.109 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC23CC3)cc1 ZINC000566095054 385534124 /nfs/dbraw/zinc/53/41/24/385534124.db2.gz AMNYEEMSTLXWIT-NSHDSACASA-N 1 0 218.256 2.237 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC=CCC2)cc1 ZINC000073224327 385691994 /nfs/dbraw/zinc/69/19/94/385691994.db2.gz YDIVKRNESAIBHZ-UHFFFAOYSA-N 1 0 232.283 2.399 20 5 BEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052273902 385715338 /nfs/dbraw/zinc/71/53/38/385715338.db2.gz GBFDEEYIOSVEOQ-GXSJLCMTSA-N 1 0 220.272 2.401 20 5 BEBDRO Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086471081 385817332 /nfs/dbraw/zinc/81/73/32/385817332.db2.gz VQZJBCZCMGNCNZ-MNOVXSKESA-N 1 0 249.314 2.090 20 5 BEBDRO Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086471080 385817943 /nfs/dbraw/zinc/81/79/43/385817943.db2.gz VQZJBCZCMGNCNZ-QWRGUYRKSA-N 1 0 249.314 2.090 20 5 BEBDRO C[C@H](NCC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000342129917 385865471 /nfs/dbraw/zinc/86/54/71/385865471.db2.gz HQYPMLBVGLKWIY-JTQLQIEISA-N 1 0 249.314 2.127 20 5 BEBDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000087009549 385982481 /nfs/dbraw/zinc/98/24/81/385982481.db2.gz GNPOUYRAJBNKNM-SECBINFHSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1ccc(CNc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000414305168 386473342 /nfs/dbraw/zinc/47/33/42/386473342.db2.gz PRSOFELRSNSKJY-UHFFFAOYSA-N 1 0 246.270 2.249 20 5 BEBDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000085984297 386695238 /nfs/dbraw/zinc/69/52/38/386695238.db2.gz WOSBGXSEVOKQGP-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000085980773 386695676 /nfs/dbraw/zinc/69/56/76/386695676.db2.gz GFADSHQUCMRXDU-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H](NCc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000237521960 387596392 /nfs/dbraw/zinc/59/63/92/387596392.db2.gz OVKCZGXXVVOAFS-VIFPVBQESA-N 1 0 247.254 2.434 20 5 BEBDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177152 388192019 /nfs/dbraw/zinc/19/20/19/388192019.db2.gz BWOPKIMENZYADG-MWLCHTKSSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000302782422 388345008 /nfs/dbraw/zinc/34/50/08/388345008.db2.gz SOTFNIMTTZKPRQ-ZDUSSCGKSA-N 1 0 249.314 2.125 20 5 BEBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000131607218 388348693 /nfs/dbraw/zinc/34/86/93/388348693.db2.gz BIZGJOPODVVCBJ-MRVPVSSYSA-N 1 0 241.266 2.096 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000152868766 388373466 /nfs/dbraw/zinc/37/34/66/388373466.db2.gz IZVCUBFWNHCGAG-AGIUHOORSA-N 1 0 248.282 2.004 20 5 BEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000163251294 388374071 /nfs/dbraw/zinc/37/40/71/388374071.db2.gz WSCCFEFJXKNLBW-NXEZZACHSA-N 1 0 238.287 2.108 20 5 BEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163248635 388374372 /nfs/dbraw/zinc/37/43/72/388374372.db2.gz MBBFYFZPWXSQOM-ZJUUUORDSA-N 1 0 238.287 2.108 20 5 BEBDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986198 388374760 /nfs/dbraw/zinc/37/47/60/388374760.db2.gz OLFNUDSMCRXGOJ-VHSXEESVSA-N 1 0 238.287 2.280 20 5 BEBDRO CO[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000272852587 388413573 /nfs/dbraw/zinc/41/35/73/388413573.db2.gz VVHNUVDJHBCRLQ-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000348314971 388435572 /nfs/dbraw/zinc/43/55/72/388435572.db2.gz BNZJVLFTQMACJT-LPEHRKFASA-N 1 0 238.287 2.015 20 5 BEBDRO C[NH+](C)CCSc1ccc(F)cc1[N+](=O)[O-] ZINC000301607568 388598748 /nfs/dbraw/zinc/59/87/48/388598748.db2.gz NUHHDQOQOKCXAW-UHFFFAOYSA-N 1 0 244.291 2.388 20 5 BEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1(F)CC1 ZINC000525995827 388683500 /nfs/dbraw/zinc/68/35/00/388683500.db2.gz DEUNYVDXRJCCCJ-UHFFFAOYSA-N 1 0 238.262 2.229 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC23CC3)c1 ZINC000424183507 388695138 /nfs/dbraw/zinc/69/51/38/388695138.db2.gz JGVZJSUBVOMRSC-LLVKDONJSA-N 1 0 218.256 2.237 20 5 BEBDRO COC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079887012 388700712 /nfs/dbraw/zinc/70/07/12/388700712.db2.gz CMSAWRTVXVUOKR-JTQLQIEISA-N 1 0 238.287 2.062 20 5 BEBDRO C[C@H]([NH2+]CCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000193281545 388842940 /nfs/dbraw/zinc/84/29/40/388842940.db2.gz KILZKEZQABAKEC-JTQLQIEISA-N 1 0 238.287 2.018 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH3+])C2)c1 ZINC000094663261 132239220 /nfs/dbraw/zinc/23/92/20/132239220.db2.gz UTHOFNNPSKWMEQ-LLVKDONJSA-N 1 0 249.314 2.078 20 5 BEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000356796651 132271728 /nfs/dbraw/zinc/27/17/28/132271728.db2.gz RDGCQBCZFGXMLC-GHMZBOCLSA-N 1 0 249.314 2.124 20 5 BEBDRO Cc1cccc(N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000235925694 132302487 /nfs/dbraw/zinc/30/24/87/132302487.db2.gz WCBHPXWITAVBFJ-LLVKDONJSA-N 1 0 249.314 2.078 20 5 BEBDRO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000261578622 135220140 /nfs/dbraw/zinc/22/01/40/135220140.db2.gz LUXDROWWDMUEKH-NKWVEPMBSA-N 1 0 243.694 2.396 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H](C)[NH3+] ZINC000261594956 135234875 /nfs/dbraw/zinc/23/48/75/135234875.db2.gz XVWDGHYCYBDUIS-RKDXNWHRSA-N 1 0 223.276 2.051 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC23CC3)cc1 ZINC000602694482 398077703 /nfs/dbraw/zinc/07/77/03/398077703.db2.gz NQIKCTLJKYWZTE-GFCCVEGCSA-N 1 0 232.283 2.279 20 5 BEBDRO Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000250882008 322898515 /nfs/dbraw/zinc/89/85/15/322898515.db2.gz VQZJBCZCMGNCNZ-WDEREUQCSA-N 1 0 249.314 2.090 20 5 BEBDRO CC(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472308 167120902 /nfs/dbraw/zinc/12/09/02/167120902.db2.gz GUXAQOOTRMWFHQ-UHFFFAOYSA-N 1 0 200.263 2.154 20 5 BEBDRO CC(C)OCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000134118266 167240902 /nfs/dbraw/zinc/24/09/02/167240902.db2.gz BMOJFPHZMNPHAM-UHFFFAOYSA-N 1 0 244.316 2.171 20 5 BEBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000221258801 173056359 /nfs/dbraw/zinc/05/63/59/173056359.db2.gz OHBHGKFFVGEVQS-LBPRGKRZSA-N 1 0 235.287 2.101 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000129524899 173363763 /nfs/dbraw/zinc/36/37/63/173363763.db2.gz HVDONTDHRPPMSA-MRVPVSSYSA-N 1 0 241.266 2.001 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000129577140 173363844 /nfs/dbraw/zinc/36/38/44/173363844.db2.gz STYNMSMXXBWMAN-SECBINFHSA-N 1 0 237.303 2.171 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000129556854 173364236 /nfs/dbraw/zinc/36/42/36/173364236.db2.gz QNHWFMMPYFQHEV-SNVBAGLBSA-N 1 0 237.303 2.171 20 5 BEBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000354086773 176166213 /nfs/dbraw/zinc/16/62/13/176166213.db2.gz TZZMUAGACGOVDO-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000293454272 176304506 /nfs/dbraw/zinc/30/45/06/176304506.db2.gz POWWIXPZOOJDRW-NXEZZACHSA-N 1 0 220.272 2.435 20 5 BEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH3+])C1 ZINC000041027492 177038008 /nfs/dbraw/zinc/03/80/08/177038008.db2.gz HJQXLCUYOKZBGS-PWSUYJOCSA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309459007 177194986 /nfs/dbraw/zinc/19/49/86/177194986.db2.gz TXNMFSDMWRXKMJ-CABZTGNLSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293397863 177265480 /nfs/dbraw/zinc/26/54/80/177265480.db2.gz LISQJWJHUZINLW-UWVGGRQHSA-N 1 0 220.272 2.435 20 5 BEBDRO CC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CC1 ZINC000568446079 326357352 /nfs/dbraw/zinc/35/73/52/326357352.db2.gz DGJKMYUIXUXABP-UHFFFAOYSA-N 1 0 249.314 2.160 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C=CCC1 ZINC000829348208 582856086 /nfs/dbraw/zinc/85/60/86/582856086.db2.gz RJYQDRGKBFCMGJ-LLVKDONJSA-N 1 0 218.256 2.403 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C=CCC2)cc1 ZINC000829346976 582856978 /nfs/dbraw/zinc/85/69/78/582856978.db2.gz HFRZYJVJTNMRQE-GFCCVEGCSA-N 1 0 232.283 2.446 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C=CCC2)cc1 ZINC000829346977 582856985 /nfs/dbraw/zinc/85/69/85/582856985.db2.gz HFRZYJVJTNMRQE-LBPRGKRZSA-N 1 0 232.283 2.446 20 5 BEBDRO CCC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059005 583576105 /nfs/dbraw/zinc/57/61/05/583576105.db2.gz QFXZHJIXNINKNZ-LLVKDONJSA-N 1 0 249.314 2.173 20 5 BEBDRO CC(C)CCC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000899855880 584243257 /nfs/dbraw/zinc/24/32/57/584243257.db2.gz MGCNTLLEZKWEFM-SNVBAGLBSA-N 1 0 202.298 2.068 20 5 BEBDRO CCCC1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899873482 584245505 /nfs/dbraw/zinc/24/55/05/584245505.db2.gz PVSLMLRSEJEBFU-UHFFFAOYSA-N 1 0 214.309 2.212 20 5 BEBDRO C[NH2+][C@@H](C)c1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901399333 584438687 /nfs/dbraw/zinc/43/86/87/584438687.db2.gz SFNIWGQDWWPMRE-LURJTMIESA-N 1 0 237.215 2.123 20 5 BEBDRO CC[C@@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902418593 584591787 /nfs/dbraw/zinc/59/17/87/584591787.db2.gz WXZVVEPIIFOTMH-GFCCVEGCSA-N 1 0 249.314 2.127 20 5 BEBDRO COc1cc([C@@H](C)[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000903056425 584722563 /nfs/dbraw/zinc/72/25/63/584722563.db2.gz URGNJDHUXRFERR-MRVPVSSYSA-N 1 0 236.271 2.416 20 5 BEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761092012 585408400 /nfs/dbraw/zinc/40/84/00/585408400.db2.gz MIAANINZRMBBDI-GXFFZTMASA-N 1 0 248.282 2.068 20 5 BEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761092016 585408412 /nfs/dbraw/zinc/40/84/12/585408412.db2.gz MIAANINZRMBBDI-MFKMUULPSA-N 1 0 248.282 2.068 20 5 BEBDRO O=[N+]([O-])CCN(Cc1ccco1)C1CCCC1 ZINC000791053250 585972702 /nfs/dbraw/zinc/97/27/02/585972702.db2.gz KASJEKJXNFQRAJ-UHFFFAOYSA-N 1 0 238.287 2.301 20 5 BEBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791051940 585972920 /nfs/dbraw/zinc/97/29/20/585972920.db2.gz INUVYXYSSAJHLM-ZDUSSCGKSA-N 1 0 234.299 2.409 20 5 BEBDRO C[NH2+]CCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000830409554 587550092 /nfs/dbraw/zinc/55/00/92/587550092.db2.gz QKACEFOVRWSRLZ-UHFFFAOYSA-N 1 0 244.678 2.237 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880293000 590987951 /nfs/dbraw/zinc/98/79/51/590987951.db2.gz YCRPQYFFQOWJMY-NSHDSACASA-N 1 0 238.262 2.386 20 5 BEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000882961749 591486381 /nfs/dbraw/zinc/48/63/81/591486381.db2.gz WSHNCDLXKBIJSH-MRVPVSSYSA-N 1 0 241.316 2.162 20 5 BEBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000885940635 592112178 /nfs/dbraw/zinc/11/21/78/592112178.db2.gz NTPAAKKJLNTZCL-UHFFFAOYSA-N 1 0 235.287 2.364 20 5 BEBDRO C[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885944051 592112751 /nfs/dbraw/zinc/11/27/51/592112751.db2.gz JPWLDQYRHRLKLU-JTQLQIEISA-N 1 0 235.287 2.364 20 5 BEBDRO CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885944419 592112876 /nfs/dbraw/zinc/11/28/76/592112876.db2.gz PFOAAHSUTMMQQZ-UHFFFAOYSA-N 1 0 235.287 2.222 20 5 BEBDRO CC1(C)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885983506 592120737 /nfs/dbraw/zinc/12/07/37/592120737.db2.gz IDNXDFNIXVYZGH-UHFFFAOYSA-N 1 0 235.287 2.364 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000885985718 592122001 /nfs/dbraw/zinc/12/20/01/592122001.db2.gz OTMDEZABSUUFJB-LBPRGKRZSA-N 1 0 247.298 2.364 20 5 BEBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886039288 592139575 /nfs/dbraw/zinc/13/95/75/592139575.db2.gz JMGRLWIWIOLVLQ-UWVGGRQHSA-N 1 0 235.287 2.363 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886326078 592208897 /nfs/dbraw/zinc/20/88/97/592208897.db2.gz AIZBSVJRUVSEJD-AOOOYVTPSA-N 1 0 248.282 2.055 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)s1 ZINC000308638504 631451075 /nfs/dbraw/zinc/45/10/75/631451075.db2.gz DDIHIFIFNDBFDO-LURJTMIESA-N 1 0 234.708 2.329 20 5 BEBDRO C[C@H](CC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905082623 637583674 /nfs/dbraw/zinc/58/36/74/637583674.db2.gz UXQPRLYGKKCUAO-LLVKDONJSA-N 1 0 222.288 2.047 20 5 BEBDRO CCC1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905060306 637596458 /nfs/dbraw/zinc/59/64/58/637596458.db2.gz UBEJQDSGIWUEHM-UHFFFAOYSA-N 1 0 214.309 2.069 20 5 BEBDRO CC(C)[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905091935 637599930 /nfs/dbraw/zinc/59/99/30/637599930.db2.gz ARZCELKQDCTJKT-QWRGUYRKSA-N 1 0 214.309 2.068 20 5 BEBDRO CC1(C)CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905192301 637670518 /nfs/dbraw/zinc/67/05/18/637670518.db2.gz YRJATDNODYPMEV-UHFFFAOYSA-N 1 0 214.309 2.069 20 5 BEBDRO CC(C)C1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905178265 637685617 /nfs/dbraw/zinc/68/56/17/637685617.db2.gz URMDPAMRERLLOK-UHFFFAOYSA-N 1 0 228.336 2.315 20 5 BEBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905216121 637699545 /nfs/dbraw/zinc/69/95/45/637699545.db2.gz QHZGFNSJGNYUAM-NWDGAFQWSA-N 1 0 228.336 2.458 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000905263467 637717200 /nfs/dbraw/zinc/71/72/00/637717200.db2.gz QDSDQSCPEAOMLO-VIFPVBQESA-N 1 0 236.262 2.068 20 5 BEBDRO Cc1ccc(C2(C[NH2+]CC[N+](=O)[O-])CC2)c(C)c1 ZINC000905271818 637729795 /nfs/dbraw/zinc/72/97/95/637729795.db2.gz DBEFMZFNYIDZOX-UHFFFAOYSA-N 1 0 248.326 2.201 20 5 BEBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905286729 637740056 /nfs/dbraw/zinc/74/00/56/637740056.db2.gz RHBDHCKWWNUXBP-NSHDSACASA-N 1 0 214.309 2.212 20 5 BEBDRO Cc1cccc2c1CCC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905380407 637781702 /nfs/dbraw/zinc/78/17/02/637781702.db2.gz GBKXYQCTVOGVTF-ZDUSSCGKSA-N 1 0 234.299 2.239 20 5 BEBDRO Cc1cccc2c1CCC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905380406 637782971 /nfs/dbraw/zinc/78/29/71/637782971.db2.gz GBKXYQCTVOGVTF-CYBMUJFWSA-N 1 0 234.299 2.239 20 5 BEBDRO CC1(C)CCC[C@@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905383856 637784099 /nfs/dbraw/zinc/78/40/99/637784099.db2.gz CGOWPIVNEIGOMY-SNVBAGLBSA-N 1 0 214.309 2.069 20 5 BEBDRO CC(C)(C)c1ccc(C[NH2+]CC[N+](=O)[O-])s1 ZINC000905408301 637798060 /nfs/dbraw/zinc/79/80/60/637798060.db2.gz NXUQPTRLUZCIGP-UHFFFAOYSA-N 1 0 242.344 2.412 20 5 BEBDRO CC[C@@H](CCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905391558 637806302 /nfs/dbraw/zinc/80/63/02/637806302.db2.gz VWVXZEREXRJQJK-ZDUSSCGKSA-N 1 0 236.315 2.264 20 5 BEBDRO C[C@@H](C1CCCCC1)[N@H+](C)CC[N+](=O)[O-] ZINC000930349896 639724990 /nfs/dbraw/zinc/72/49/90/639724990.db2.gz CNKREOHPJXVBRN-JTQLQIEISA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930473735 639772424 /nfs/dbraw/zinc/77/24/24/639772424.db2.gz BJEPBBBEDNCFJF-WCQYABFASA-N 1 0 234.299 2.346 20 5 BEBDRO CCc1ccc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC000930564829 639811286 /nfs/dbraw/zinc/81/12/86/639811286.db2.gz OHBIMFRXZHCDTQ-AWEZNQCLSA-N 1 0 248.326 2.315 20 5 BEBDRO Cc1ccccc1C(C)(C)[NH2+]CC[N+](=O)[O-] ZINC000930579121 639813336 /nfs/dbraw/zinc/81/33/36/639813336.db2.gz RPSICUSXHBMJSL-UHFFFAOYSA-N 1 0 222.288 2.096 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000930892044 639977041 /nfs/dbraw/zinc/97/70/41/639977041.db2.gz ODJNXHODVYZOCO-LBPRGKRZSA-N 1 0 226.320 2.308 20 5 BEBDRO CC[C@](C)([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000931380286 640171900 /nfs/dbraw/zinc/17/19/00/640171900.db2.gz HWJGHOAIUIMZMN-LBPRGKRZSA-N 1 0 240.278 2.317 20 5 BEBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931571801 640280771 /nfs/dbraw/zinc/28/07/71/640280771.db2.gz VCPCXSPQOUNXCL-LBPRGKRZSA-N 1 0 226.320 2.308 20 5 BEBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000931740753 640343282 /nfs/dbraw/zinc/34/32/82/640343282.db2.gz FZMMRCJLQMMNQY-CYBMUJFWSA-N 1 0 236.315 2.120 20 5 BEBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000931746683 640346216 /nfs/dbraw/zinc/34/62/16/640346216.db2.gz KHQHXJBTDGKDAW-DGCLKSJQSA-N 1 0 234.299 2.346 20 5 BEBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000931746511 640348196 /nfs/dbraw/zinc/34/81/96/640348196.db2.gz KHQHXJBTDGKDAW-AAEUAGOBSA-N 1 0 234.299 2.346 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000934346246 641131817 /nfs/dbraw/zinc/13/18/17/641131817.db2.gz XJVOWYXJDAJLMJ-PHIMTYICSA-N 1 0 247.298 2.222 20 5 BEBDRO Cc1c(CNc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000231869212 641212537 /nfs/dbraw/zinc/21/25/37/641212537.db2.gz RNMRXPRHGXQBNC-UHFFFAOYSA-N 1 0 246.270 2.249 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000929291020 643958433 /nfs/dbraw/zinc/95/84/33/643958433.db2.gz BCNBEOGFHLCTGM-LBPRGKRZSA-N 1 0 226.320 2.308 20 5 BEBDRO CC(C)C[N@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000929397802 646107484 /nfs/dbraw/zinc/10/74/84/646107484.db2.gz FHTXWFFWBUFWBX-UHFFFAOYSA-N 1 0 214.309 2.164 20 5 BEBDRO CC[C@H](C)[C@H](C)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929531377 646176924 /nfs/dbraw/zinc/17/69/24/646176924.db2.gz OICRYHQSNZIROT-UWVGGRQHSA-N 1 0 214.309 2.162 20 5 BEBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929531376 646178419 /nfs/dbraw/zinc/17/84/19/646178419.db2.gz OICRYHQSNZIROT-NXEZZACHSA-N 1 0 214.309 2.162 20 5 BEBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929811636 646332051 /nfs/dbraw/zinc/33/20/51/646332051.db2.gz BZCJMWFANPCFAN-YPMHNXCESA-N 1 0 234.299 2.141 20 5 BEBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000929960483 646378953 /nfs/dbraw/zinc/37/89/53/646378953.db2.gz DITTXIWIJASNJF-WDEREUQCSA-N 1 0 228.336 2.458 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000930187044 646484803 /nfs/dbraw/zinc/48/48/03/646484803.db2.gz BLAGLASQVPFYGH-SNVBAGLBSA-N 1 0 226.301 2.066 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000899872628 711803822 /nfs/dbraw/zinc/80/38/22/711803822.db2.gz CRPKHEDFJDLJLP-LLVKDONJSA-N 1 0 240.690 2.194 20 5 BEBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCCc2ccccc21 ZINC000905203002 711812615 /nfs/dbraw/zinc/81/26/15/711812615.db2.gz UTCHPPCEPSYFHA-AWEZNQCLSA-N 1 0 248.326 2.147 20 5 BEBDRO Cc1cc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000712609630 712437421 /nfs/dbraw/zinc/43/74/21/712437421.db2.gz WAQFWELHUAZRFL-LLVKDONJSA-N 1 0 235.287 2.019 20 5 BEBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000719581244 712812637 /nfs/dbraw/zinc/81/26/37/712812637.db2.gz STWZSSHDSGYURB-CABZTGNLSA-N 1 0 235.287 2.099 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719623947 712814370 /nfs/dbraw/zinc/81/43/70/712814370.db2.gz KDFNIHSCYBLKOX-ZWNOBZJWSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719622553 712817934 /nfs/dbraw/zinc/81/79/34/712817934.db2.gz GOPYAUOUFYVCSF-WDEREUQCSA-N 1 0 249.314 2.408 20 5 BEBDRO COc1ccc([C@H](C)OCC[N+](C)(C)C)cc1 ZINC001224776455 964940461 /nfs/dbraw/zinc/94/04/61/964940461.db2.gz VVZFEESCQDFKKC-LBPRGKRZSA-N 1 0 238.351 2.479 20 5 BEBDRO C[N+](C)(C)CCO[C@H]1CC2CCC1CC2 ZINC001224776576 964939616 /nfs/dbraw/zinc/93/96/16/964939616.db2.gz XYIBRWHRAPUYEK-BPCQOVAHSA-N 1 0 212.357 2.288 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCC1 ZINC001169004052 969327730 /nfs/dbraw/zinc/32/77/30/969327730.db2.gz PHTKPRYOXYQUDR-JBLDHEPKSA-N 1 0 226.320 2.210 20 5 BEBDRO CCC[N@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009781 969333192 /nfs/dbraw/zinc/33/31/92/969333192.db2.gz YEDKAMHUDXRYAD-MNOVXSKESA-N 1 0 214.309 2.164 20 5 BEBDRO CCCC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009472 969332527 /nfs/dbraw/zinc/33/25/27/969332527.db2.gz WKKVOZVQYVARIE-GHMZBOCLSA-N 1 0 214.309 2.164 20 5 BEBDRO Cc1cccc(O)c1O[C@H](C)C[N+](C)(C)C ZINC001227139828 975294553 /nfs/dbraw/zinc/29/45/53/975294553.db2.gz PXMHXIIQQYULAW-LLVKDONJSA-O 1 0 224.324 2.174 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC001334159941 976339787 /nfs/dbraw/zinc/33/97/87/976339787.db2.gz KORHVEKVUVMNCA-MNOVXSKESA-N 1 0 214.309 2.164 20 5 BEBDRO C[N+](C)(C)CCCOC(C1CC1)C1CC1 ZINC001224623704 973804636 /nfs/dbraw/zinc/80/46/36/973804636.db2.gz PXUQBCYFOJADNJ-UHFFFAOYSA-N 1 0 212.357 2.288 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)C1C=CC=C1 ZINC001224622025 973806062 /nfs/dbraw/zinc/80/60/62/973806062.db2.gz FITOKSOMMVPEJX-LBPRGKRZSA-N 1 0 209.333 2.188 20 5 BEBDRO CC[N+](C)(C)Cc1ccccc1NC1CC(=O)C1 ZINC001167340650 957796986 /nfs/dbraw/zinc/79/69/86/957796986.db2.gz DPTPMOYCAIRTAO-UHFFFAOYSA-N 1 0 247.362 2.426 20 5 BEBDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000098005679 958413054 /nfs/dbraw/zinc/41/30/54/958413054.db2.gz RPDUIOABVBVSFC-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO [NH2+]=CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001167867725 961355142 /nfs/dbraw/zinc/35/51/42/961355142.db2.gz OGIWPMZCPUNGJT-UHFFFAOYSA-N 1 0 216.200 2.162 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1 ZINC001225248380 961939601 /nfs/dbraw/zinc/93/96/01/961939601.db2.gz UHICFWKISWEBSU-SNVBAGLBSA-N 1 0 212.288 2.299 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cncnc21 ZINC001227972481 963638959 /nfs/dbraw/zinc/63/89/59/963638959.db2.gz OWTGWROWTQCDKA-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO Cc1nc2cc(O[C@H](C)C[N+](C)(C)C)ccc2[nH]1 ZINC001228330113 963758625 /nfs/dbraw/zinc/75/86/25/963758625.db2.gz VGCIRYQGXZBYSS-SNVBAGLBSA-N 1 0 248.350 2.345 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)c1ccccn1 ZINC001224620789 964808999 /nfs/dbraw/zinc/80/89/99/964808999.db2.gz BSLQQMXMYUOGLJ-LBPRGKRZSA-N 1 0 223.340 2.256 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccccn1 ZINC001224620787 964810532 /nfs/dbraw/zinc/81/05/32/964810532.db2.gz BSLQQMXMYUOGLJ-GFCCVEGCSA-N 1 0 223.340 2.256 20 5 BEBDRO COC1CCC(OCCC[N+](C)(C)C)CC1 ZINC001224620724 964810568 /nfs/dbraw/zinc/81/05/68/964810568.db2.gz AJOQVQJZBIZRFQ-UHFFFAOYSA-N 1 0 230.372 2.057 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)c1ccncc1F ZINC001224621543 964810969 /nfs/dbraw/zinc/81/09/69/964810969.db2.gz XSHZCNAVOWVZLH-NSHDSACASA-N 1 0 241.330 2.395 20 5 BEBDRO C[C@H]1CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224776524 964939786 /nfs/dbraw/zinc/93/97/86/964939786.db2.gz XBYUGLNWAVBFRR-NWDGAFQWSA-N 1 0 200.346 2.288 20 5 BEBDRO CCCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162203819 967732801 /nfs/dbraw/zinc/73/28/01/967732801.db2.gz CBJXZUFGHLLTHG-UHFFFAOYSA-N 1 0 235.287 2.410 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC001168978356 969298834 /nfs/dbraw/zinc/29/88/34/969298834.db2.gz RGSGUZFIQNULPA-SKDRFNHKSA-N 1 0 238.331 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC001168984911 969300817 /nfs/dbraw/zinc/30/08/17/969300817.db2.gz RECVQBRBGXCFGH-UTLUCORTSA-N 1 0 248.273 2.209 20 5 BEBDRO CC[C@H](C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958335 969307499 /nfs/dbraw/zinc/30/74/99/969307499.db2.gz MTDPQVBPLAGBNF-AXFHLTTASA-N 1 0 214.309 2.068 20 5 BEBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001168957773 969307583 /nfs/dbraw/zinc/30/75/83/969307583.db2.gz IPLKMMLTAYPKIE-WDEREUQCSA-N 1 0 238.287 2.123 20 5 BEBDRO CCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958768 969309625 /nfs/dbraw/zinc/30/96/25/969309625.db2.gz PMNODRFZQIAHAD-GHMZBOCLSA-N 1 0 214.309 2.212 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCC(F)CC2)C1 ZINC001168964209 969315001 /nfs/dbraw/zinc/31/50/01/969315001.db2.gz RUTQTDARACGENX-WNYYMSAVSA-N 1 0 244.310 2.302 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)C1 ZINC001168964210 969315247 /nfs/dbraw/zinc/31/52/47/969315247.db2.gz RUTQTDARACGENX-WYUUTHIRSA-N 1 0 244.310 2.302 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCC(F)CC2)C1 ZINC001168964206 969315546 /nfs/dbraw/zinc/31/55/46/969315546.db2.gz RUTQTDARACGENX-HBIQZDMRSA-N 1 0 244.310 2.302 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168964945 969318833 /nfs/dbraw/zinc/31/88/33/969318833.db2.gz WSABIYVPVHMZHB-QJPTWQEYSA-N 1 0 249.314 2.178 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC=CCC2)C1 ZINC001168997971 969325713 /nfs/dbraw/zinc/32/57/13/969325713.db2.gz GWVNLXAMEOAMDF-GRYCIOLGSA-N 1 0 224.304 2.130 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2C=CCCC2)C1 ZINC001169000613 969326720 /nfs/dbraw/zinc/32/67/20/969326720.db2.gz YAYCPGTUUSFMDE-IJLUTSLNSA-N 1 0 224.304 2.130 20 5 BEBDRO CCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168992800 969327450 /nfs/dbraw/zinc/32/74/50/969327450.db2.gz KQEDTLMGIJPMEZ-WDEREUQCSA-N 1 0 226.320 2.354 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2Cc3ccccc3C2)C1 ZINC001169006278 969331757 /nfs/dbraw/zinc/33/17/57/969331757.db2.gz GMQKAXIGHYNBKC-FZMZJTMJSA-N 1 0 246.310 2.448 20 5 BEBDRO C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008245 969333960 /nfs/dbraw/zinc/33/39/60/969333960.db2.gz SKSXWUGSEIJGHA-UTUOFQBUSA-N 1 0 226.320 2.306 20 5 BEBDRO CCC[N@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009779 969335987 /nfs/dbraw/zinc/33/59/87/969335987.db2.gz YEDKAMHUDXRYAD-GHMZBOCLSA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@]1(F)CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011578 969337882 /nfs/dbraw/zinc/33/78/82/969337882.db2.gz LCHXRZNBZBVJRW-WOPDTQHZSA-N 1 0 244.310 2.256 20 5 BEBDRO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036831 969356960 /nfs/dbraw/zinc/35/69/60/969356960.db2.gz QEUMWEMISFMEFJ-QJPTWQEYSA-N 1 0 226.320 2.306 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(CF)CC2)C1 ZINC001169038572 969358896 /nfs/dbraw/zinc/35/88/96/969358896.db2.gz ZSJBUAGDFYLZQE-VXGBXAGGSA-N 1 0 244.310 2.113 20 5 BEBDRO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054958 969370769 /nfs/dbraw/zinc/37/07/69/969370769.db2.gz OPTYYDGVSLOMEZ-IJLUTSLNSA-N 1 0 226.320 2.164 20 5 BEBDRO CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568380 969739523 /nfs/dbraw/zinc/73/95/23/969739523.db2.gz TZOPRFQVDQDWEI-NSHDSACASA-N 1 0 232.283 2.204 20 5 BEBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001254566339 969739565 /nfs/dbraw/zinc/73/95/65/969739565.db2.gz JNUODDLFLWCTFW-TVQRCGJNSA-N 1 0 246.310 2.450 20 5 BEBDRO CC1CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566251 969741692 /nfs/dbraw/zinc/74/16/92/969741692.db2.gz IVYOUWHYHZESEF-LDUAJXOISA-N 1 0 246.310 2.450 20 5 BEBDRO C[C@H]1CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593336 969743244 /nfs/dbraw/zinc/74/32/44/969743244.db2.gz KVPBZWPRDSSIBE-ZANVPECISA-N 1 0 232.283 2.156 20 5 BEBDRO C[C@@H](O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001329649251 970358861 /nfs/dbraw/zinc/35/88/61/970358861.db2.gz ZNXMGBIGQXQKRX-OPRDCNLKSA-N 1 0 238.287 2.015 20 5 BEBDRO COc1ccc(C[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329406 970712502 /nfs/dbraw/zinc/71/25/02/970712502.db2.gz QEJVKDYEQVHSFM-SECBINFHSA-N 1 0 238.287 2.096 20 5 BEBDRO C[C@@H](C[NH+](C)C)OCc1ccccc1[N+](=O)[O-] ZINC001222759460 972687390 /nfs/dbraw/zinc/68/73/90/972687390.db2.gz GFUHUMUFSKEBBF-JTQLQIEISA-N 1 0 238.287 2.062 20 5 BEBDRO COc1ccccc1CO[C@@H](C)C[N+](C)(C)C ZINC001222972661 972771988 /nfs/dbraw/zinc/77/19/88/972771988.db2.gz GBSJCYSXBJERPD-LBPRGKRZSA-N 1 0 238.351 2.307 20 5 BEBDRO Cc1cc(C)nc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001223423139 973059921 /nfs/dbraw/zinc/05/99/21/973059921.db2.gz UFVIYTAPOISGFW-CYBMUJFWSA-N 1 0 237.367 2.310 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCCc1ccsc1 ZINC001224535430 973756077 /nfs/dbraw/zinc/75/60/77/973756077.db2.gz PBOVAHDEYHAEAV-LLVKDONJSA-N 1 0 228.381 2.402 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224619206 973802271 /nfs/dbraw/zinc/80/22/71/973802271.db2.gz MTNKLAMLZIONIY-QMMMGPOBSA-N 1 0 214.251 2.050 20 5 BEBDRO CC1(C)C[C@H](OCCC[N+](C)(C)C)CCO1 ZINC001224623810 973808883 /nfs/dbraw/zinc/80/88/83/973808883.db2.gz QZBHANFMDYUBKQ-GFCCVEGCSA-N 1 0 230.372 2.057 20 5 BEBDRO C[C@@H](OCC[N+](C)(C)C)c1cnc2ccccn21 ZINC001224771273 973936412 /nfs/dbraw/zinc/93/64/12/973936412.db2.gz IBMTXDGBOIILKM-GFCCVEGCSA-N 1 0 248.350 2.118 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1 ZINC001225598291 974583608 /nfs/dbraw/zinc/58/36/08/974583608.db2.gz MODICYVXHRIQBW-VIFPVBQESA-N 1 0 229.731 2.209 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCO2 ZINC001226363174 974868637 /nfs/dbraw/zinc/86/86/37/974868637.db2.gz KIGIKBSADDSNAI-NSHDSACASA-N 1 0 236.335 2.095 20 5 BEBDRO CC[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763677 975063576 /nfs/dbraw/zinc/06/35/76/975063576.db2.gz YYHNGNUSHGMNKA-LBPRGKRZSA-N 1 0 236.271 2.068 20 5 BEBDRO C[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763383 975064413 /nfs/dbraw/zinc/06/44/13/975064413.db2.gz RIHRNFAYGSOXNU-GFCCVEGCSA-N 1 0 236.271 2.068 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cnnc2ccccc21 ZINC001226890597 975136977 /nfs/dbraw/zinc/13/69/77/975136977.db2.gz DAKUNYJNSYTVDK-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCF ZINC001173238449 975158703 /nfs/dbraw/zinc/15/87/03/975158703.db2.gz SRESRRQYXFTXSI-SNVBAGLBSA-N 1 0 240.278 2.427 20 5 BEBDRO COc1cccc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001227164364 975299428 /nfs/dbraw/zinc/29/94/28/975299428.db2.gz ISFYELFGIGUIIS-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC001332912244 975320758 /nfs/dbraw/zinc/32/07/58/975320758.db2.gz SYLDKOOJSXCFLM-JTQLQIEISA-N 1 0 242.344 2.278 20 5 BEBDRO Cc1ccc(C)c(CN(C)CC[N+](=O)[O-])c1 ZINC001332989975 975361876 /nfs/dbraw/zinc/36/18/76/975361876.db2.gz GJYBXZZQCOSZOU-UHFFFAOYSA-N 1 0 222.288 2.012 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)sn1 ZINC001227373777 975374440 /nfs/dbraw/zinc/37/44/40/975374440.db2.gz IPWCBLMNGPSTOQ-SSDOTTSWSA-N 1 0 235.760 2.270 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001333438770 975770330 /nfs/dbraw/zinc/77/03/30/975770330.db2.gz DKMFPMJQDIFQRG-UONOGXRCSA-N 1 0 248.326 2.264 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)cnc1F ZINC001228572626 976336562 /nfs/dbraw/zinc/33/65/62/976336562.db2.gz JCBICOAJCGURDS-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC001334159943 976346026 /nfs/dbraw/zinc/34/60/26/976346026.db2.gz KORHVEKVUVMNCA-WDEREUQCSA-N 1 0 214.309 2.164 20 5 BEBDRO Cc1cc(F)ncc1O[C@@H](C)C[N+](C)(C)C ZINC001228590887 976360352 /nfs/dbraw/zinc/36/03/52/976360352.db2.gz FPCPFCNYSOCWPH-JTQLQIEISA-N 1 0 227.303 2.003 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)CC2 ZINC001228838673 976516721 /nfs/dbraw/zinc/51/67/21/976516721.db2.gz YOJVPXROZHIZTB-LLVKDONJSA-N 1 0 248.346 2.289 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001334785439 976666062 /nfs/dbraw/zinc/66/60/62/976666062.db2.gz UZGVFKORQVZGLR-UHFFFAOYSA-N 1 0 248.326 2.408 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC001335476986 977083018 /nfs/dbraw/zinc/08/30/18/977083018.db2.gz LOZYUABUHWYXGD-LBPRGKRZSA-N 1 0 226.320 2.212 20 5 BEBDRO CCc1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230290706 977149486 /nfs/dbraw/zinc/14/94/86/977149486.db2.gz KXOIVVFYVNFAIP-NSHDSACASA-O 1 0 238.351 2.428 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccncc2n1 ZINC001230726521 977314088 /nfs/dbraw/zinc/31/40/88/977314088.db2.gz QJDWSOBRURILME-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001335910555 977359413 /nfs/dbraw/zinc/35/94/13/977359413.db2.gz IYLZYRHKFQMZGZ-ZIAGYGMSSA-N 1 0 248.326 2.122 20 5 BEBDRO C[C@@H](OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001206278829 978150179 /nfs/dbraw/zinc/15/01/79/978150179.db2.gz UEMVXWONYOIYGR-SNVBAGLBSA-N 1 0 238.287 2.234 20 5 BEBDRO Cc1cc2c[nH]nc2cc1O[C@H](C)C[N+](C)(C)C ZINC001234038183 978762040 /nfs/dbraw/zinc/76/20/40/978762040.db2.gz XMHSHAAHIPRAPL-LLVKDONJSA-N 1 0 248.350 2.345 20 5 BEBDRO Cc1nc(CO[C@H](C)C[N+](C)(C)C)cs1 ZINC001206453468 979120592 /nfs/dbraw/zinc/12/05/92/979120592.db2.gz DUXSDOBEGDFRQS-SECBINFHSA-N 1 0 229.369 2.063 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccccc1Cl ZINC001346325534 980811149 /nfs/dbraw/zinc/81/11/49/980811149.db2.gz JJOBTXUQDKBGFG-GXSJLCMTSA-N 1 0 240.690 2.062 20 5 BEBDRO CCC(CC)CCC[N@H+](C)CC[N+](=O)[O-] ZINC001196518183 982458241 /nfs/dbraw/zinc/45/82/41/982458241.db2.gz KFMWSJSSEGIQPM-UHFFFAOYSA-N 1 0 216.325 2.411 20 5 BEBDRO C[C@@H]([NH2+]CC1=NOCC1)c1cccc([N+](=O)[O-])c1 ZINC001459844925 985639710 /nfs/dbraw/zinc/63/97/10/985639710.db2.gz RYTVHNNSQMHSQO-SECBINFHSA-N 1 0 249.270 2.022 20 5 BEBDRO C[C@H]([NH2+]CC1=NOCC1)c1cccc([N+](=O)[O-])c1 ZINC001459845156 985639870 /nfs/dbraw/zinc/63/98/70/985639870.db2.gz RYTVHNNSQMHSQO-VIFPVBQESA-N 1 0 249.270 2.022 20 5 BEBDRO CC1(C)C[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579077 986680120 /nfs/dbraw/zinc/68/01/20/986680120.db2.gz PJCCCQIEFHCRAS-WCQYABFASA-N 1 0 246.310 2.450 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC2CCC1CC2 ZINC001119376583 989020210 /nfs/dbraw/zinc/02/02/10/989020210.db2.gz VXBMSDYVQDJDGQ-UHFFFAOYSA-N 1 0 247.298 2.364 20 5 BEBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001119741821 989379190 /nfs/dbraw/zinc/37/91/90/989379190.db2.gz FFYHKKKUWLKIBY-NXEZZACHSA-N 1 0 214.309 2.068 20 5 BEBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC001618778517 1170649486 /nfs/dbraw/zinc/64/94/86/1170649486.db2.gz YFMIBMCDUAIKOQ-NEPJUHHUSA-N 1 0 240.347 2.411 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[NH2+]C1 ZINC000051872551 1171923741 /nfs/dbraw/zinc/92/37/41/1171923741.db2.gz DCMQFHDDGNNKCQ-NSHDSACASA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cc(N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000049840547 178188390 /nfs/dbraw/zinc/18/83/90/178188390.db2.gz CTGJPHMXESYUGY-NSHDSACASA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1cc(NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000037998898 178168396 /nfs/dbraw/zinc/16/83/96/178168396.db2.gz INBFIKNNJMAGQL-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cc(NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129333441 178168554 /nfs/dbraw/zinc/16/85/54/178168554.db2.gz TXHBUVIJZXYQQY-NSHDSACASA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1cc(NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000053255059 178169141 /nfs/dbraw/zinc/16/91/41/178169141.db2.gz SDBZPMLOAFQAQN-LLVKDONJSA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000229610033 178188489 /nfs/dbraw/zinc/18/84/89/178188489.db2.gz CILWBGNCIBRXLH-JQWIXIFHSA-N 1 0 249.314 2.456 20 5 BEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196125 398315760 /nfs/dbraw/zinc/31/57/60/398315760.db2.gz VQNBKJNGZYFVNN-KOLCDFICSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1ccc2oc(CN3CCCC3)nc2c1 ZINC000083126974 342998473 /nfs/dbraw/zinc/99/84/73/342998473.db2.gz BUVKVCXJRYKNPD-UHFFFAOYSA-N 1 0 247.254 2.332 20 5 BEBDRO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000387604881 346930105 /nfs/dbraw/zinc/93/01/05/346930105.db2.gz WZSGEZYNQUOPLY-SNVBAGLBSA-N 1 0 237.303 2.313 20 5 BEBDRO Cc1cccc(N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000261551794 136272532 /nfs/dbraw/zinc/27/25/32/136272532.db2.gz YDZBSOULXBAUEX-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000038089148 343370283 /nfs/dbraw/zinc/37/02/83/343370283.db2.gz ONMLAJLLOBEIGV-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO CC[N@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000054128108 187272658 /nfs/dbraw/zinc/27/26/58/187272658.db2.gz MSBSZGDZOQMWLG-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000038089149 343941401 /nfs/dbraw/zinc/94/14/01/343941401.db2.gz ONMLAJLLOBEIGV-MRVPVSSYSA-N 1 0 241.266 2.096 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCCC[NH2+]1 ZINC000158931960 346271309 /nfs/dbraw/zinc/27/13/09/346271309.db2.gz PAPRJNUQMDHALK-LLVKDONJSA-N 1 0 249.314 2.457 20 5 BEBDRO C[NH2+][C@H]1CCCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000158934217 346278062 /nfs/dbraw/zinc/27/80/62/346278062.db2.gz SBYDDIDJGUBGHF-NSHDSACASA-N 1 0 249.314 2.091 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+](C)C ZINC000168960792 179206637 /nfs/dbraw/zinc/20/66/37/179206637.db2.gz ZGPAGFVUJHKWSX-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC1 ZINC000581199430 347278006 /nfs/dbraw/zinc/27/80/06/347278006.db2.gz ICJOTEIIVBNSBW-NSHDSACASA-N 1 0 218.256 2.334 20 5 BEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccccc1[N+](=O)[O-] ZINC000590568694 347470472 /nfs/dbraw/zinc/47/04/72/347470472.db2.gz JIHMHZZWGKCCBM-GHMZBOCLSA-N 1 0 249.314 2.124 20 5 BEBDRO Cc1noc(C[NH+]2[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595338128 348220717 /nfs/dbraw/zinc/22/07/17/348220717.db2.gz FLDDUYJMAIWNBU-HTQZYQBOSA-N 1 0 239.275 2.264 20 5 BEBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000309344303 350327107 /nfs/dbraw/zinc/32/71/07/350327107.db2.gz LGFAXXFWOLMDCK-UHFFFAOYSA-N 1 0 243.332 2.408 20 5 BEBDRO CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328467693 350397657 /nfs/dbraw/zinc/39/76/57/350397657.db2.gz JZNXDFPUCVYESR-LBPRGKRZSA-N 1 0 249.314 2.491 20 5 BEBDRO COCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637854 351063354 /nfs/dbraw/zinc/06/33/54/351063354.db2.gz LEODIENFWNOLFP-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO Cc1ccc(NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063171773 351269385 /nfs/dbraw/zinc/26/93/85/351269385.db2.gz AJFPAPGBUXUSGU-VIFPVBQESA-N 1 0 223.276 2.052 20 5 BEBDRO C/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000232464875 352717483 /nfs/dbraw/zinc/71/74/83/352717483.db2.gz WFNGZCRSJNECGL-NSCUHMNNSA-N 1 0 206.245 2.261 20 5 BEBDRO Cc1cccc(NCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235935188 188318318 /nfs/dbraw/zinc/31/83/18/188318318.db2.gz FIYOVRMUTZQVFT-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC1 ZINC000035414786 357229900 /nfs/dbraw/zinc/22/99/00/357229900.db2.gz LIDQESNMKAWGAU-UHFFFAOYSA-N 1 0 236.271 2.246 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH3+] ZINC000168398643 134197891 /nfs/dbraw/zinc/19/78/91/134197891.db2.gz QRBWGZWECREUBM-UHFFFAOYSA-N 1 0 223.276 2.052 20 5 BEBDRO Cc1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000168407187 134198310 /nfs/dbraw/zinc/19/83/10/134198310.db2.gz AKKMFIDXXYBRQF-UHFFFAOYSA-N 1 0 223.276 2.052 20 5 BEBDRO [NH3+]C1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000051693712 181342916 /nfs/dbraw/zinc/34/29/16/181342916.db2.gz HEDGCMNLKLPMQZ-UHFFFAOYSA-N 1 0 235.287 2.277 20 5 BEBDRO COC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176857 361720437 /nfs/dbraw/zinc/72/04/37/361720437.db2.gz LAZOFZYEWGCSSJ-VHSXEESVSA-N 1 0 238.287 2.280 20 5 BEBDRO Cc1ccc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000037647817 364379555 /nfs/dbraw/zinc/37/95/55/364379555.db2.gz TZDHIJGHZOUKIQ-LLVKDONJSA-N 1 0 249.314 2.267 20 5 BEBDRO CC[NH2+][C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000387400117 364659539 /nfs/dbraw/zinc/65/95/39/364659539.db2.gz AKWAIKQGCUWJGT-SECBINFHSA-N 1 0 223.276 2.005 20 5 BEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000032210066 368256392 /nfs/dbraw/zinc/25/63/92/368256392.db2.gz DQHVXQUJVZUYKF-SNVBAGLBSA-N 1 0 237.303 2.204 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202230 371568270 /nfs/dbraw/zinc/56/82/70/371568270.db2.gz VMEFVUIKAUQXFK-GXSJLCMTSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@H](F)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602677514 371830426 /nfs/dbraw/zinc/83/04/26/371830426.db2.gz VSUJVYLLBNGJNQ-JTQLQIEISA-N 1 0 240.278 2.475 20 5 BEBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000603405571 371890492 /nfs/dbraw/zinc/89/04/92/371890492.db2.gz AZEVCPRMHUYVMP-ZYHUDNBSSA-N 1 0 249.314 2.489 20 5 BEBDRO CC(C)(Nc1ccc([N+](=O)[O-])cn1)c1ncc[nH]1 ZINC000603407526 371890531 /nfs/dbraw/zinc/89/05/31/371890531.db2.gz VCQSRSGIILLKJP-UHFFFAOYSA-N 1 0 247.258 2.060 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCSC2)cs1 ZINC000230704215 371951148 /nfs/dbraw/zinc/95/11/48/371951148.db2.gz AESISIHKGUTMMU-MRVPVSSYSA-N 1 0 244.341 2.251 20 5 BEBDRO CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293814844 169286831 /nfs/dbraw/zinc/28/68/31/169286831.db2.gz RTJQAHWKAPGWMD-MRVPVSSYSA-N 1 0 223.276 2.238 20 5 BEBDRO CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472300 169269655 /nfs/dbraw/zinc/26/96/55/169269655.db2.gz HBBSODGZXUPGQP-UHFFFAOYSA-N 1 0 200.263 2.156 20 5 BEBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338791375 383829349 /nfs/dbraw/zinc/82/93/49/383829349.db2.gz FCXVCXBJGVKMNU-GHMZBOCLSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H](CF)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288479099 383895169 /nfs/dbraw/zinc/89/51/69/383895169.db2.gz POVKCTFWAOFNBI-QMMMGPOBSA-N 1 0 212.224 2.042 20 5 BEBDRO C[C@@H]([NH2+]CCCCO)c1ccccc1[N+](=O)[O-] ZINC000235210707 384262548 /nfs/dbraw/zinc/26/25/48/384262548.db2.gz RIPIKTSVPMWNQT-SNVBAGLBSA-N 1 0 238.287 2.018 20 5 BEBDRO C[C@@H](CSc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000358783972 384341960 /nfs/dbraw/zinc/34/19/60/384341960.db2.gz IBEHIXFLEUOUPE-QMMMGPOBSA-N 1 0 241.316 2.032 20 5 BEBDRO CC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000289857563 384501791 /nfs/dbraw/zinc/50/17/91/384501791.db2.gz QAYADDIROPNCGK-LBPRGKRZSA-N 1 0 238.287 2.109 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CC2)c1 ZINC000083893676 384920586 /nfs/dbraw/zinc/92/05/86/384920586.db2.gz NDJACHWVSHAJOE-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1CC1 ZINC000062726136 385119117 /nfs/dbraw/zinc/11/91/17/385119117.db2.gz KUHQYYHOILKAGP-UHFFFAOYSA-N 1 0 220.272 2.137 20 5 BEBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[NH2+]C1 ZINC000052093698 385660390 /nfs/dbraw/zinc/66/03/90/385660390.db2.gz LIAHLWUSLHKJKQ-MRVPVSSYSA-N 1 0 241.678 2.022 20 5 BEBDRO C[C@H](C[NH+](C)C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000343787198 385732286 /nfs/dbraw/zinc/73/22/86/385732286.db2.gz CXAXCYDBLPAYTM-MRVPVSSYSA-N 1 0 241.266 2.096 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)c1 ZINC000342245839 385876561 /nfs/dbraw/zinc/87/65/61/385876561.db2.gz ZJIFQWSHISICOB-VHSXEESVSA-N 1 0 242.225 2.338 20 5 BEBDRO C[C@H]([NH2+]CC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000087009547 385982139 /nfs/dbraw/zinc/98/21/39/385982139.db2.gz GNPOUYRAJBNKNM-VIFPVBQESA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228163300 387125334 /nfs/dbraw/zinc/12/53/34/387125334.db2.gz JGKDJGZAOOPACP-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1ccc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000168937297 387371688 /nfs/dbraw/zinc/37/16/88/387371688.db2.gz IAWYKTYIYXDRIE-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130038736 387434758 /nfs/dbraw/zinc/43/47/58/387434758.db2.gz XQYBSTIZULXJAM-UWVGGRQHSA-N 1 0 238.287 2.108 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCF ZINC000088024821 387517277 /nfs/dbraw/zinc/51/72/77/387517277.db2.gz GQQJRABPQHFMAM-UHFFFAOYSA-N 1 0 212.224 2.044 20 5 BEBDRO CCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036228323 387883792 /nfs/dbraw/zinc/88/37/92/387883792.db2.gz JKKLYDSSLRRTKT-JTQLQIEISA-N 1 0 238.287 2.282 20 5 BEBDRO CC[C@@H]([NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000036721063 388257547 /nfs/dbraw/zinc/25/75/47/388257547.db2.gz PPCDQASJDKGNOY-GFCCVEGCSA-N 1 0 238.287 2.282 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH3+])c1 ZINC000132000579 388354216 /nfs/dbraw/zinc/35/42/16/388354216.db2.gz WSZJDAXMEPPDMY-UHFFFAOYSA-N 1 0 223.276 2.052 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCF ZINC000449303566 388748386 /nfs/dbraw/zinc/74/83/86/388748386.db2.gz YMTQZUMJPRZWOH-SECBINFHSA-N 1 0 226.251 2.085 20 5 BEBDRO CC[C@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000079712484 388698381 /nfs/dbraw/zinc/69/83/81/388698381.db2.gz JEJNANXGBDJVKP-LLVKDONJSA-N 1 0 238.287 2.109 20 5 BEBDRO COC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079887015 388700910 /nfs/dbraw/zinc/70/09/10/388700910.db2.gz CMSAWRTVXVUOKR-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO C[NH+](C)CCSCc1ccccc1[N+](=O)[O-] ZINC000446568980 388733820 /nfs/dbraw/zinc/73/38/20/388733820.db2.gz IMYRXUATMNZPOZ-UHFFFAOYSA-N 1 0 240.328 2.390 20 5 BEBDRO CSC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000124991584 388763517 /nfs/dbraw/zinc/76/35/17/388763517.db2.gz SLVLSGGJUMKSGO-VIFPVBQESA-N 1 0 240.328 2.436 20 5 BEBDRO CCC[C@@H]([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000020596849 388779277 /nfs/dbraw/zinc/77/92/77/388779277.db2.gz LCKXXVQXYPDAPL-GFCCVEGCSA-N 1 0 238.287 2.018 20 5 BEBDRO CC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286319274 132214369 /nfs/dbraw/zinc/21/43/69/132214369.db2.gz KTYHDKLGFGIISC-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO [NH3+]CC[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000070171250 132229810 /nfs/dbraw/zinc/22/98/10/132229810.db2.gz XWHYZJLDQVAIHI-LLVKDONJSA-N 1 0 249.314 2.160 20 5 BEBDRO Cc1cccc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000235156948 135045583 /nfs/dbraw/zinc/04/55/83/135045583.db2.gz OBHGXKCPBDFKAC-SECBINFHSA-N 1 0 223.276 2.052 20 5 BEBDRO Cc1cccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000261550432 135189379 /nfs/dbraw/zinc/18/93/79/135189379.db2.gz MYQVAZYVHOIDFV-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000136402967 397734894 /nfs/dbraw/zinc/73/48/94/397734894.db2.gz AUQIAOGYJKKUBM-GXSJLCMTSA-N 1 0 220.272 2.340 20 5 BEBDRO CC(C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175584701 397977809 /nfs/dbraw/zinc/97/78/09/397977809.db2.gz KJHLJZTUNJKNDI-UHFFFAOYSA-N 1 0 208.261 2.435 20 5 BEBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000054613512 172397111 /nfs/dbraw/zinc/39/71/11/172397111.db2.gz CQFKQEKYOQDCOG-UHFFFAOYSA-N 1 0 237.303 2.347 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000129576966 173375302 /nfs/dbraw/zinc/37/53/02/173375302.db2.gz STYNMSMXXBWMAN-VIFPVBQESA-N 1 0 237.303 2.171 20 5 BEBDRO COCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177113 174249433 /nfs/dbraw/zinc/24/94/33/174249433.db2.gz IZUIJIAGGDFFSS-JTQLQIEISA-N 1 0 238.287 2.282 20 5 BEBDRO COCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177114 174250641 /nfs/dbraw/zinc/25/06/41/174250641.db2.gz IZUIJIAGGDFFSS-SNVBAGLBSA-N 1 0 238.287 2.282 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CC1 ZINC000036722202 175201143 /nfs/dbraw/zinc/20/11/43/175201143.db2.gz NBDQPJCEDLYGCT-UHFFFAOYSA-N 1 0 236.271 2.103 20 5 BEBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263785281 176175436 /nfs/dbraw/zinc/17/54/36/176175436.db2.gz ZQYMIIAQSSPVEK-SNVBAGLBSA-N 1 0 220.272 2.437 20 5 BEBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000309331560 176216770 /nfs/dbraw/zinc/21/67/70/176216770.db2.gz SLYMTFVZDCWPEP-KOLCDFICSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000037988012 176686710 /nfs/dbraw/zinc/68/67/10/176686710.db2.gz NLKJFNQXGJELKV-MRVPVSSYSA-N 1 0 241.266 2.096 20 5 BEBDRO C[C@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000078514716 176834905 /nfs/dbraw/zinc/83/49/05/176834905.db2.gz SJIKPPCFSYXGME-VIFPVBQESA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH3+])C1 ZINC000041027922 177042368 /nfs/dbraw/zinc/04/23/68/177042368.db2.gz ACGGEVIZFILDLD-MNOVXSKESA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000293405624 177265753 /nfs/dbraw/zinc/26/57/53/177265753.db2.gz MAGCNCLIQVJUFS-VHSXEESVSA-N 1 0 220.272 2.435 20 5 BEBDRO CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000224186221 535152330 /nfs/dbraw/zinc/15/23/30/535152330.db2.gz WEUUHBVVIBCNCX-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000224176025 535152692 /nfs/dbraw/zinc/15/26/92/535152692.db2.gz XLFGQGRIGXHRBJ-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO C[NH2+][C@H]1CCCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000234485444 536415442 /nfs/dbraw/zinc/41/54/42/536415442.db2.gz XRZCTQVBQHXVMR-NSHDSACASA-N 1 0 249.314 2.091 20 5 BEBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895739499 583714475 /nfs/dbraw/zinc/71/44/75/583714475.db2.gz FLWQEXISOFFHRZ-HTQZYQBOSA-N 1 0 241.316 2.161 20 5 BEBDRO C[C@@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737174 583718154 /nfs/dbraw/zinc/71/81/54/583718154.db2.gz SLKZJPXJJBVWKB-SFYZADRCSA-N 1 0 241.316 2.161 20 5 BEBDRO CC(C)[C@H]1[N@H+](CC[N+](=O)[O-])CC12CCCC2 ZINC000899888188 584247423 /nfs/dbraw/zinc/24/74/23/584247423.db2.gz ZDHAIZDTISGECQ-LLVKDONJSA-N 1 0 226.320 2.164 20 5 BEBDRO C[C@@H](c1ccc(F)cc1)N(C)CC[N+](=O)[O-] ZINC000791052732 585972628 /nfs/dbraw/zinc/97/26/28/585972628.db2.gz BBXYVAZXAAIHKZ-VIFPVBQESA-N 1 0 226.251 2.095 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])C1CCCCCCC1 ZINC000791051755 585972640 /nfs/dbraw/zinc/97/26/40/585972640.db2.gz ILWVHLYSOGCESG-UHFFFAOYSA-N 1 0 214.309 2.308 20 5 BEBDRO CCCCC[N@H+](CC[N+](=O)[O-])C(C)C ZINC000791054822 585973010 /nfs/dbraw/zinc/97/30/10/585973010.db2.gz YUJPWHKOWWMNOK-UHFFFAOYSA-N 1 0 202.298 2.164 20 5 BEBDRO C[C@@H]1C[C@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735994 586515164 /nfs/dbraw/zinc/51/51/64/586515164.db2.gz CAIYRESGPHVKNG-MNOVXSKESA-N 1 0 249.314 2.016 20 5 BEBDRO C[C@H]([NH2+]CCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597242 586688684 /nfs/dbraw/zinc/68/86/84/586688684.db2.gz QOARRLFXPKSCDV-QMMMGPOBSA-N 1 0 241.266 2.187 20 5 BEBDRO Cc1ccc(C[NH2+]CC2(F)CC2)cc1[N+](=O)[O-] ZINC000865787352 589461891 /nfs/dbraw/zinc/46/18/91/589461891.db2.gz MVUYMBXLEKKTQC-UHFFFAOYSA-N 1 0 238.262 2.495 20 5 BEBDRO NC(=NOCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000871764444 589809421 /nfs/dbraw/zinc/80/94/21/589809421.db2.gz GSESPXYUQNIXTP-UHFFFAOYSA-N 1 0 249.270 2.393 20 5 BEBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000885964121 592117313 /nfs/dbraw/zinc/11/73/13/592117313.db2.gz XCMXIZGOVJYVPJ-UHFFFAOYSA-N 1 0 223.276 2.220 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000886040020 592138879 /nfs/dbraw/zinc/13/88/79/592138879.db2.gz RXJLOIHSWVGZAL-UHFFFAOYSA-N 1 0 247.298 2.366 20 5 BEBDRO Cc1ccc(C2([NH2+]CC[N+](=O)[O-])CCC2)cc1 ZINC000930825463 634120341 /nfs/dbraw/zinc/12/03/41/634120341.db2.gz KSQYLBWPXGPILJ-UHFFFAOYSA-N 1 0 234.299 2.241 20 5 BEBDRO C[C@H]1CCCC[C@@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905117323 637623391 /nfs/dbraw/zinc/62/33/91/637623391.db2.gz NUVFUTCAENUGTA-WDEREUQCSA-N 1 0 214.309 2.069 20 5 BEBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Sc1ccccc1 ZINC000905132985 637644488 /nfs/dbraw/zinc/64/44/88/637644488.db2.gz DMGYSAGTJHZPKF-SNVBAGLBSA-N 1 0 240.328 2.034 20 5 BEBDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000905132391 637644767 /nfs/dbraw/zinc/64/47/67/637644767.db2.gz AKCKFAUFJHJVJM-GFCCVEGCSA-N 1 0 236.315 2.101 20 5 BEBDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905190511 637672393 /nfs/dbraw/zinc/67/23/93/637672393.db2.gz KZYAKRKHDZECCI-ZWNOBZJWSA-N 1 0 234.299 2.176 20 5 BEBDRO CC(C)[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905216123 637700202 /nfs/dbraw/zinc/70/02/02/637700202.db2.gz QHZGFNSJGNYUAM-RYUDHWBXSA-N 1 0 228.336 2.458 20 5 BEBDRO CC(C)Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905383996 637785102 /nfs/dbraw/zinc/78/51/02/637785102.db2.gz DOWZHWFZRZKBQA-UHFFFAOYSA-N 1 0 236.315 2.251 20 5 BEBDRO CCCCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000906532087 638199874 /nfs/dbraw/zinc/19/98/74/638199874.db2.gz ZDMUFLLUGGFTIT-UHFFFAOYSA-N 1 0 237.303 2.160 20 5 BEBDRO O=[N+]([O-])CCNC1(c2ccc(Cl)cc2)CC1 ZINC000930219654 639641095 /nfs/dbraw/zinc/64/10/95/639641095.db2.gz AYHYPHQYGABZDL-UHFFFAOYSA-N 1 0 240.690 2.195 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000930666006 639853820 /nfs/dbraw/zinc/85/38/20/639853820.db2.gz GTMDLLUALQZILG-DCAQKATOSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000930994330 640013721 /nfs/dbraw/zinc/01/37/21/640013721.db2.gz PJVAUTQLYIJJAD-LBPRGKRZSA-N 1 0 226.320 2.165 20 5 BEBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000932563089 640574728 /nfs/dbraw/zinc/57/47/28/640574728.db2.gz ZEPXBHDHHTVDPP-VIFPVBQESA-N 1 0 226.251 2.061 20 5 BEBDRO CCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000063730645 641220571 /nfs/dbraw/zinc/22/05/71/641220571.db2.gz JWARLZHDCKVJGQ-UHFFFAOYSA-N 1 0 248.286 2.244 20 5 BEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047914422 641667860 /nfs/dbraw/zinc/66/78/60/641667860.db2.gz KKRJWBIIDLWIFE-UHFFFAOYSA-N 1 0 224.235 2.328 20 5 BEBDRO CCCCC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929852377 641777941 /nfs/dbraw/zinc/77/79/41/641777941.db2.gz CUHGCICAOZOLLX-LLVKDONJSA-N 1 0 214.309 2.308 20 5 BEBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163622 643619044 /nfs/dbraw/zinc/61/90/44/643619044.db2.gz OFPFBMMQDBMRDU-GHMZBOCLSA-N 1 0 249.314 2.395 20 5 BEBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089092110 644534125 /nfs/dbraw/zinc/53/41/25/644534125.db2.gz RVQMNUMRGWODBC-NXEZZACHSA-N 1 0 235.287 2.134 20 5 BEBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089092108 644534816 /nfs/dbraw/zinc/53/48/16/644534816.db2.gz INBWZTFZSQBJJA-JOYOIKCWSA-N 1 0 235.287 2.134 20 5 BEBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000929260205 646041958 /nfs/dbraw/zinc/04/19/58/646041958.db2.gz VIZKDHIOWGMACQ-WOPDTQHZSA-N 1 0 226.320 2.164 20 5 BEBDRO CC1CCC([N@H+](CC[N+](=O)[O-])C2CC2)CC1 ZINC000929286322 646060995 /nfs/dbraw/zinc/06/09/95/646060995.db2.gz BMIJBOHTTFDDDH-UHFFFAOYSA-N 1 0 226.320 2.306 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000929334308 646085512 /nfs/dbraw/zinc/08/55/12/646085512.db2.gz VIEAAIMSCDQASP-JTQLQIEISA-N 1 0 240.278 2.485 20 5 BEBDRO C[C@H]([NH2+]C1CSC1)c1ccc([N+](=O)[O-])cc1 ZINC000706495796 712147305 /nfs/dbraw/zinc/14/73/05/712147305.db2.gz QOWMKQUQXLERBF-QMMMGPOBSA-N 1 0 238.312 2.361 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000052926226 711644604 /nfs/dbraw/zinc/64/46/04/711644604.db2.gz WTIUCYRGHDAQOZ-ZDUSSCGKSA-N 1 0 248.282 2.377 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000052926227 711644982 /nfs/dbraw/zinc/64/49/82/711644982.db2.gz WTIUCYRGHDAQOZ-CYBMUJFWSA-N 1 0 248.282 2.377 20 5 BEBDRO C[C@@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719578066 712811860 /nfs/dbraw/zinc/81/18/60/712811860.db2.gz MHPBAROIEDIXPB-ZJUUUORDSA-N 1 0 235.287 2.099 20 5 BEBDRO COc1cccc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001228571067 963859050 /nfs/dbraw/zinc/85/90/50/963859050.db2.gz GPMQPEMKMGEHCF-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO C[N+](C)(C)CCCO[C@H]1CC(F)(F)C1(F)F ZINC001224621302 964809954 /nfs/dbraw/zinc/80/99/54/964809954.db2.gz QPXZWNYIOPHOLR-QMMMGPOBSA-N 1 0 244.252 2.142 20 5 BEBDRO CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966548 969317434 /nfs/dbraw/zinc/31/74/34/969317434.db2.gz JKQOXHCCVGEEMW-GHMZBOCLSA-N 1 0 226.320 2.212 20 5 BEBDRO CC(C)C[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007080 969329250 /nfs/dbraw/zinc/32/92/50/969329250.db2.gz KRGRLLDGXYLPSL-WDEREUQCSA-N 1 0 214.309 2.020 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC1 ZINC001254550779 969737219 /nfs/dbraw/zinc/73/72/19/969737219.db2.gz QUXWLNAUPQAMGR-SNVBAGLBSA-N 1 0 220.272 2.232 20 5 BEBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H](C)C[NH+](C)C ZINC001226994769 975212101 /nfs/dbraw/zinc/21/21/01/975212101.db2.gz HHNNTYHHRUHYKC-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO Cc1cncc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001223042828 972816152 /nfs/dbraw/zinc/81/61/52/972816152.db2.gz KABGTMKDSWLBHE-GFCCVEGCSA-N 1 0 223.340 2.001 20 5 BEBDRO Cn1cc[nH+]c1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216480585 971094181 /nfs/dbraw/zinc/09/41/81/971094181.db2.gz GMLVAHLSNGQEJC-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO C[C@@H]1CCCC[C@@H]1OCC[N+](C)(C)C ZINC001224772206 973939370 /nfs/dbraw/zinc/93/93/70/973939370.db2.gz WYXLORSDECSYOV-NEPJUHHUSA-N 1 0 200.346 2.288 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1-n1cccc1C[NH3+] ZINC001167589916 958976848 /nfs/dbraw/zinc/97/68/48/958976848.db2.gz OOYPUKRRIJWOCO-UHFFFAOYSA-N 1 0 231.255 2.153 20 5 BEBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])c2ccccc12 ZINC001167726110 960245977 /nfs/dbraw/zinc/24/59/77/960245977.db2.gz RJASUWYIUHZOAE-UHFFFAOYSA-N 1 0 245.282 2.379 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1[N+](=O)[O-] ZINC001227484075 963530380 /nfs/dbraw/zinc/53/03/80/963530380.db2.gz HMJHBADYVLRCGR-JTQLQIEISA-N 1 0 239.295 2.068 20 5 BEBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000713926122 963566382 /nfs/dbraw/zinc/56/63/82/963566382.db2.gz NENZFFGYARCAPL-MRVPVSSYSA-N 1 0 242.250 2.063 20 5 BEBDRO C[N+](C)(C)CCO[C@@H]1CC2CCC1CC2 ZINC001224776577 964940113 /nfs/dbraw/zinc/94/01/13/964940113.db2.gz XYIBRWHRAPUYEK-WXRRBKDZSA-N 1 0 212.357 2.288 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C=CCC2)cs1 ZINC000698212464 965108134 /nfs/dbraw/zinc/10/81/34/965108134.db2.gz GREQHKCFLFFWLH-VIFPVBQESA-N 1 0 224.285 2.465 20 5 BEBDRO CC(C)(CF)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001119246088 968298446 /nfs/dbraw/zinc/29/84/46/968298446.db2.gz XHBWNSNHXCJXBE-UHFFFAOYSA-N 1 0 240.278 2.475 20 5 BEBDRO CC[C@H](C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958336 969308104 /nfs/dbraw/zinc/30/81/04/969308104.db2.gz MTDPQVBPLAGBNF-DCAQKATOSA-N 1 0 214.309 2.068 20 5 BEBDRO CC1(C)CC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168983429 969302068 /nfs/dbraw/zinc/30/20/68/969302068.db2.gz KADRFNWYIHFFGB-VHSXEESVSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001168955867 969303667 /nfs/dbraw/zinc/30/36/67/969303667.db2.gz CVHQQAAAROQBGY-QWHCGFSZSA-N 1 0 234.299 2.222 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccs2)C1 ZINC001168958059 969306156 /nfs/dbraw/zinc/30/61/56/969306156.db2.gz LJEJCZPMHANGBQ-UWVGGRQHSA-N 1 0 240.328 2.283 20 5 BEBDRO CC(C)(C)C(=[NH2+])N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956586 969306575 /nfs/dbraw/zinc/30/65/75/969306575.db2.gz BUSHBDCJNAVNKE-RKDXNWHRSA-N 1 0 227.308 2.045 20 5 BEBDRO CC(C)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956852 969307233 /nfs/dbraw/zinc/30/72/33/969307233.db2.gz GCPGCTJKPISLOB-QWRGUYRKSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001168958812 969309742 /nfs/dbraw/zinc/30/97/42/969309742.db2.gz PZHBWHDRRBMXQT-UONOGXRCSA-N 1 0 248.326 2.264 20 5 BEBDRO CC1CC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168961215 969312455 /nfs/dbraw/zinc/31/24/55/969312455.db2.gz IARULYZLYXGQJA-POSLAHMBSA-N 1 0 226.320 2.068 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001168961910 969312823 /nfs/dbraw/zinc/31/28/23/969312823.db2.gz LEBPOCDXFIOADP-SCZZXKLOSA-N 1 0 248.273 2.067 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001168961184 969313649 /nfs/dbraw/zinc/31/36/49/969313649.db2.gz HQDKLIJITDPAOJ-RYUDHWBXSA-N 1 0 226.320 2.212 20 5 BEBDRO [NH3+]Cc1cccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168967668 969320080 /nfs/dbraw/zinc/32/00/80/969320080.db2.gz SHMDVKNCOLFWQS-YPMHNXCESA-N 1 0 249.314 2.003 20 5 BEBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168975694 969323234 /nfs/dbraw/zinc/32/32/34/969323234.db2.gz WSABIYVPVHMZHB-IJLUTSLNSA-N 1 0 249.314 2.178 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001169003083 969326974 /nfs/dbraw/zinc/32/69/74/969326974.db2.gz NBCVSSQCSCCRSX-QNWJLWSRSA-N 1 0 238.331 2.210 20 5 BEBDRO CC1(C)CC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001657 969327458 /nfs/dbraw/zinc/32/74/58/969327458.db2.gz HEKNQJQQCSSXLI-PWSUYJOCSA-N 1 0 240.347 2.458 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC001168997973 969327826 /nfs/dbraw/zinc/32/78/26/969327826.db2.gz GWVNLXAMEOAMDF-UTUOFQBUSA-N 1 0 224.304 2.130 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CC2)C1 ZINC001169006485 969329706 /nfs/dbraw/zinc/32/97/06/969329706.db2.gz YAYIPXQPQBIVIA-NEPJUHHUSA-N 1 0 238.331 2.354 20 5 BEBDRO CC(C)C[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007078 969330341 /nfs/dbraw/zinc/33/03/41/969330341.db2.gz KRGRLLDGXYLPSL-MNOVXSKESA-N 1 0 214.309 2.020 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CC3CC3)CC2)C1 ZINC001169006487 969330386 /nfs/dbraw/zinc/33/03/86/969330386.db2.gz YAYIPXQPQBIVIA-RYUDHWBXSA-N 1 0 238.331 2.354 20 5 BEBDRO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009816 969334413 /nfs/dbraw/zinc/33/44/13/969334413.db2.gz YHCLKYUSYLUGIC-UTUOFQBUSA-N 1 0 226.320 2.164 20 5 BEBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036640 969355355 /nfs/dbraw/zinc/35/53/55/969355355.db2.gz HCXXGSGHUQCYDC-WOPDTQHZSA-N 1 0 240.347 2.410 20 5 BEBDRO C[N@H+](C1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037719 969358542 /nfs/dbraw/zinc/35/85/42/969358542.db2.gz TWKHQDKJLKGBOH-JQWIXIFHSA-N 1 0 226.320 2.306 20 5 BEBDRO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054957 969372639 /nfs/dbraw/zinc/37/26/39/969372639.db2.gz OPTYYDGVSLOMEZ-GRYCIOLGSA-N 1 0 226.320 2.164 20 5 BEBDRO C[C@@H]1C[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567467 969740451 /nfs/dbraw/zinc/74/04/51/969740451.db2.gz ONDQSNZIAAAQSH-DYLAAIIWSA-N 1 0 232.283 2.060 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C13CC(C1)C3)C2 ZINC001254572826 969740960 /nfs/dbraw/zinc/74/09/60/969740960.db2.gz SUYYHAYFVFCOFX-PEUVISTOSA-N 1 0 244.294 2.204 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC1)C2 ZINC001254567913 969741668 /nfs/dbraw/zinc/74/16/68/969741668.db2.gz QQXZVLRNTPTBMH-GFCCVEGCSA-N 1 0 232.283 2.062 20 5 BEBDRO CC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597900 969742827 /nfs/dbraw/zinc/74/28/27/969742827.db2.gz IYFKAHOCELNYDA-ZDUSSCGKSA-N 1 0 232.283 2.014 20 5 BEBDRO CCC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597939 969745722 /nfs/dbraw/zinc/74/57/22/969745722.db2.gz JOGWZAPDOZSTGW-ZDUSSCGKSA-N 1 0 234.299 2.404 20 5 BEBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc(C[NH3+])c1 ZINC001169725116 969816582 /nfs/dbraw/zinc/81/65/82/969816582.db2.gz IUKFCRRNSTYMPR-UHFFFAOYSA-N 1 0 249.245 2.292 20 5 BEBDRO Cc1cc([N+](=O)[O-])cc(-n2ccc(C[NH3+])c2)c1F ZINC001169725294 969817359 /nfs/dbraw/zinc/81/73/59/969817359.db2.gz CJPJVGLGKIBVCW-UHFFFAOYSA-N 1 0 249.245 2.292 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCC1CCCC1 ZINC001222708134 972653150 /nfs/dbraw/zinc/65/31/50/972653150.db2.gz LPUIEFZKPJHHID-NSHDSACASA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1nc2ccccc2o1 ZINC001222916118 972747090 /nfs/dbraw/zinc/74/70/90/972747090.db2.gz VYBVCSXVIHYCCJ-LLVKDONJSA-N 1 0 249.334 2.439 20 5 BEBDRO Cc1c(NCC(C)(C)[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001171194862 972847768 /nfs/dbraw/zinc/84/77/68/972847768.db2.gz FSBIBKVKBQNYLJ-UHFFFAOYSA-N 1 0 241.266 2.192 20 5 BEBDRO Cc1ncccc1CO[C@H](C)C[N+](C)(C)C ZINC001223350051 972998860 /nfs/dbraw/zinc/99/88/60/972998860.db2.gz WPEZDGIOZLBLCF-LLVKDONJSA-N 1 0 223.340 2.001 20 5 BEBDRO Cc1cnc(CO[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001223495735 973097205 /nfs/dbraw/zinc/09/72/05/973097205.db2.gz FCKXNXLEDOSYHW-CYBMUJFWSA-N 1 0 237.367 2.310 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)O[C@H]1Cc2ccccc21 ZINC001224072288 973446448 /nfs/dbraw/zinc/44/64/48/973446448.db2.gz VOBOPUWCYRJVDB-FZMZJTMJSA-N 1 0 220.336 2.395 20 5 BEBDRO C[N+](C)(C)CCCO[C@H]1CCCC[C@@H]1F ZINC001224620840 973801813 /nfs/dbraw/zinc/80/18/13/973801813.db2.gz GVQGMPJOMBAKFA-RYUDHWBXSA-N 1 0 218.336 2.380 20 5 BEBDRO COC(C)(C)C[C@@H](C)OCCC[N+](C)(C)C ZINC001224620767 973802357 /nfs/dbraw/zinc/80/23/57/973802357.db2.gz DLYMGHUARNUYDE-GFCCVEGCSA-N 1 0 232.388 2.303 20 5 BEBDRO C[C@@H]1c2cnccc2C[C@@H]1OCCC[N+](C)(C)C ZINC001224620788 973803095 /nfs/dbraw/zinc/80/30/95/973803095.db2.gz DPKWUQRFBWTGDF-DOMZBBRYSA-N 1 0 249.378 2.223 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1CCC(F)(F)C1 ZINC001224621122 973803370 /nfs/dbraw/zinc/80/33/70/973803370.db2.gz MMXZDSTYTJWRBF-SNVBAGLBSA-N 1 0 222.299 2.287 20 5 BEBDRO C[C@@H]1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224774795 973940583 /nfs/dbraw/zinc/94/05/83/973940583.db2.gz XBYUGLNWAVBFRR-NEPJUHHUSA-N 1 0 200.346 2.288 20 5 BEBDRO COc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225236388 974287066 /nfs/dbraw/zinc/28/70/66/974287066.db2.gz UZVCTENATNCODC-NSHDSACASA-N 1 0 224.324 2.169 20 5 BEBDRO COc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225236387 974290695 /nfs/dbraw/zinc/29/06/95/974290695.db2.gz UZVCTENATNCODC-LLVKDONJSA-N 1 0 224.324 2.169 20 5 BEBDRO COc1cc(C)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225263125 974326435 /nfs/dbraw/zinc/32/64/35/974326435.db2.gz ZNDIVXKXIWSVHV-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1F ZINC001225311424 974387341 /nfs/dbraw/zinc/38/73/41/974387341.db2.gz FMFWNHXIONFKHG-SECBINFHSA-N 1 0 230.278 2.438 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCC2=O ZINC001225362206 974446095 /nfs/dbraw/zinc/44/60/95/974446095.db2.gz CWPDNDVVMLWYLY-LLVKDONJSA-N 1 0 248.346 2.289 20 5 BEBDRO CC(=O)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225815598 974693961 /nfs/dbraw/zinc/69/39/61/974693961.db2.gz XMFSECTWJPAOEG-NSHDSACASA-N 1 0 236.335 2.363 20 5 BEBDRO CCc1nc(C)ccc1O[C@H](C)C[N+](C)(C)C ZINC001226408770 974887344 /nfs/dbraw/zinc/88/73/44/974887344.db2.gz CFYMYIQMPUMVHM-GFCCVEGCSA-N 1 0 237.367 2.426 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ccccc21 ZINC001226469349 974917786 /nfs/dbraw/zinc/91/77/86/974917786.db2.gz BLNMSGUVXHRGAU-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c[nH]nc2c1 ZINC001226586341 974966915 /nfs/dbraw/zinc/96/69/15/974966915.db2.gz OETSUCZKQLQNRN-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(OC)cc1 ZINC001332698592 975257606 /nfs/dbraw/zinc/25/76/06/975257606.db2.gz FFTPTAXRNCZEFA-GFCCVEGCSA-N 1 0 238.287 2.013 20 5 BEBDRO Cc1c(O)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001227432056 975406734 /nfs/dbraw/zinc/40/67/34/975406734.db2.gz SPGLKXNPXAZYGI-JTQLQIEISA-O 1 0 224.324 2.174 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523556 975503010 /nfs/dbraw/zinc/50/30/10/975503010.db2.gz MIBFWIRISKEODT-SNVBAGLBSA-N 1 0 239.295 2.068 20 5 BEBDRO CCc1cccc(O)c1O[C@H](C)C[N+](C)(C)C ZINC001230377733 977200613 /nfs/dbraw/zinc/20/06/13/977200613.db2.gz YFOLVSIFCPMFEW-LLVKDONJSA-O 1 0 238.351 2.428 20 5 BEBDRO COc1ccc(Nc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001176361321 978050786 /nfs/dbraw/zinc/05/07/86/978050786.db2.gz YLPWTZGMLMVLRN-UHFFFAOYSA-N 1 0 248.242 2.081 20 5 BEBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc2n[nH]cc21 ZINC001233744801 978684538 /nfs/dbraw/zinc/68/45/38/978684538.db2.gz YXATVAQSQOJJNZ-NSHDSACASA-N 1 0 248.350 2.345 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001179834261 978761584 /nfs/dbraw/zinc/76/15/84/978761584.db2.gz IZVCUBFWNHCGAG-YNEHKIRRSA-N 1 0 248.282 2.004 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc2cccnc2[nH]1 ZINC001234629461 978878650 /nfs/dbraw/zinc/87/86/50/978878650.db2.gz IKTZFNGEAKVITD-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2sccc2[nH]1 ZINC001234848520 978916916 /nfs/dbraw/zinc/91/69/16/978916916.db2.gz QLBALEXGESAJIQ-QMMMGPOBSA-N 1 0 240.352 2.098 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC001340731928 979082809 /nfs/dbraw/zinc/08/28/09/979082809.db2.gz QPTAVHATIXPSCN-CYBMUJFWSA-N 1 0 234.299 2.394 20 5 BEBDRO C/C(=C/c1ccccc1)CN(C)CC[N+](=O)[O-] ZINC001351399191 982308728 /nfs/dbraw/zinc/30/87/28/982308728.db2.gz NDDHEGRJQOAJAQ-BENRWUELSA-N 1 0 234.299 2.298 20 5 BEBDRO CC1(C)C[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579075 986680876 /nfs/dbraw/zinc/68/08/76/986680876.db2.gz PJCCCQIEFHCRAS-AAEUAGOBSA-N 1 0 246.310 2.450 20 5 BEBDRO [NH3+]CCSc1cc(Cl)ccc1[N+](=O)[O-] ZINC001580314923 986742425 /nfs/dbraw/zinc/74/24/25/986742425.db2.gz BEWAKQRTWWEJPS-UHFFFAOYSA-N 1 0 232.692 2.299 20 5 BEBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001119741823 989381183 /nfs/dbraw/zinc/38/11/83/989381183.db2.gz FFYHKKKUWLKIBY-VHSXEESVSA-N 1 0 214.309 2.068 20 5 BEBDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001120503502 989666554 /nfs/dbraw/zinc/66/65/54/989666554.db2.gz SHURUOXGJPKNGZ-UWVGGRQHSA-N 1 0 214.309 2.068 20 5 BEBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[NH2+]C1 ZINC000043501543 1171295669 /nfs/dbraw/zinc/29/56/69/1171295669.db2.gz ZIVJMEVTMFDGOK-LLVKDONJSA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cccc(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000043501546 1171295783 /nfs/dbraw/zinc/29/57/83/1171295783.db2.gz SEUXLUIGFZAFFL-JTQLQIEISA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000488446667 398270873 /nfs/dbraw/zinc/27/08/73/398270873.db2.gz HLYLZRUUEXJBDX-PWSUYJOCSA-N 1 0 234.299 2.383 20 5 BEBDRO C[C@@H]1C[C@@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348897575 136243577 /nfs/dbraw/zinc/24/35/77/136243577.db2.gz VUVGIBKOIJBLOK-GHMZBOCLSA-N 1 0 249.314 2.016 20 5 BEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000351499545 136368843 /nfs/dbraw/zinc/36/88/43/136368843.db2.gz CQRLTYAGGNJIQV-QWRGUYRKSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@H]1C[C@@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000159221184 349828093 /nfs/dbraw/zinc/82/80/93/349828093.db2.gz AZICQMSBCPENCK-CMPLNLGQSA-N 1 0 234.299 2.383 20 5 BEBDRO CC[N@H+](CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000048040875 343704132 /nfs/dbraw/zinc/70/41/32/343704132.db2.gz FKFPIKONEOOTAB-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000380650404 344428680 /nfs/dbraw/zinc/42/86/80/344428680.db2.gz XWUBUGXXBOWEFO-NRUUGDAUSA-N 1 0 249.314 2.077 20 5 BEBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033976029 345814161 /nfs/dbraw/zinc/81/41/61/345814161.db2.gz CSUJXTQSLYPFTJ-UHFFFAOYSA-N 1 0 249.314 2.125 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCC[NH2+]1 ZINC000158931837 346271680 /nfs/dbraw/zinc/27/16/80/346271680.db2.gz PAPRJNUQMDHALK-NSHDSACASA-N 1 0 249.314 2.457 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[NH2+]C1 ZINC000158938540 346277994 /nfs/dbraw/zinc/27/79/94/346277994.db2.gz CBTRJTXETWVTOY-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1cccc(N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000235670087 179123241 /nfs/dbraw/zinc/12/32/41/179123241.db2.gz VQLXJRSNSVFSBI-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc(N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000235698643 179123669 /nfs/dbraw/zinc/12/36/69/179123669.db2.gz VQLXJRSNSVFSBI-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000229609106 179206685 /nfs/dbraw/zinc/20/66/85/179206685.db2.gz BLAUGTNPRBFMIE-GHMZBOCLSA-N 1 0 249.314 2.456 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](C)[NH+](C)C ZINC000158656304 179206955 /nfs/dbraw/zinc/20/69/55/179206955.db2.gz LXKCMHTXYMEJHW-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[NH3+] ZINC000125690822 179207035 /nfs/dbraw/zinc/20/70/35/179207035.db2.gz PMUFDNOILUNUFZ-UHFFFAOYSA-N 1 0 223.276 2.054 20 5 BEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000594591784 348079264 /nfs/dbraw/zinc/07/92/64/348079264.db2.gz KRSPLLUAASHXSJ-PHIMTYICSA-N 1 0 249.314 2.347 20 5 BEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000594592299 348079308 /nfs/dbraw/zinc/07/93/08/348079308.db2.gz PQSKBABQWOKSII-GSJFWJNXSA-N 1 0 249.314 2.347 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000594983662 348164744 /nfs/dbraw/zinc/16/47/44/348164744.db2.gz AGQAVEFYKGQTRC-CLLJXQQHSA-N 1 0 232.283 2.483 20 5 BEBDRO Cc1noc(CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293048 348215488 /nfs/dbraw/zinc/21/54/88/348215488.db2.gz WRKWANIMWVQIDA-MRVPVSSYSA-N 1 0 239.275 2.123 20 5 BEBDRO Cc1noc(C[N@@H+](C)[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000595285924 348212322 /nfs/dbraw/zinc/21/23/22/348212322.db2.gz BXRMEADOKPCNKY-SECBINFHSA-N 1 0 241.291 2.368 20 5 BEBDRO C[C@H](CCNc1sccc1[N+](=O)[O-])[NH+](C)C ZINC000596433204 348545852 /nfs/dbraw/zinc/54/58/52/348545852.db2.gz SBOXNYPKACACJC-MRVPVSSYSA-N 1 0 243.332 2.408 20 5 BEBDRO CCC[NH2+]CCNc1c(F)cccc1[N+](=O)[O-] ZINC000261550968 535173787 /nfs/dbraw/zinc/17/37/87/535173787.db2.gz LQXFMSJPHYEWNE-UHFFFAOYSA-N 1 0 241.266 2.145 20 5 BEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200287 352567058 /nfs/dbraw/zinc/56/70/58/352567058.db2.gz DNMXOIOXJDLMNI-VHSXEESVSA-N 1 0 238.287 2.016 20 5 BEBDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044371137 188123759 /nfs/dbraw/zinc/12/37/59/188123759.db2.gz LYBZLYXRYZZJPT-NSHDSACASA-N 1 0 220.272 2.483 20 5 BEBDRO CC[C@H]([NH2+][C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602181 358002622 /nfs/dbraw/zinc/00/26/22/358002622.db2.gz YMZYDDOIMRWRPL-SKDRFNHKSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001642560301 1172372153 /nfs/dbraw/zinc/37/21/53/1172372153.db2.gz QIIUSUZLGJCNKX-GFCCVEGCSA-N 1 0 240.278 2.452 20 5 BEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCF ZINC000568532253 326363750 /nfs/dbraw/zinc/36/37/50/326363750.db2.gz DPLVFGDIEPCMOV-JTQLQIEISA-N 1 0 224.235 2.141 20 5 BEBDRO CCC[C@H]([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000020596850 371301562 /nfs/dbraw/zinc/30/15/62/371301562.db2.gz LCKXXVQXYPDAPL-LBPRGKRZSA-N 1 0 238.287 2.018 20 5 BEBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227076647 371781116 /nfs/dbraw/zinc/78/11/16/371781116.db2.gz UUVIUWHNRDTCQY-CMPLNLGQSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[C@H]1CCC[NH2+]C1 ZINC000113254111 182951206 /nfs/dbraw/zinc/95/12/06/182951206.db2.gz ZUAALKHXXJEJEV-LLVKDONJSA-N 1 0 249.314 2.396 20 5 BEBDRO CCCN(c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000104078284 169182875 /nfs/dbraw/zinc/18/28/75/169182875.db2.gz BZFDLDQKSFPXQR-NSHDSACASA-N 1 0 249.314 2.173 20 5 BEBDRO CCC[NH2+]CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000054267509 169260437 /nfs/dbraw/zinc/26/04/37/169260437.db2.gz UXNZESNXTGNECF-UHFFFAOYSA-N 1 0 237.303 2.315 20 5 BEBDRO CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020556421 169266734 /nfs/dbraw/zinc/26/67/34/169266734.db2.gz FGYHVWDETRAZSY-UHFFFAOYSA-N 1 0 224.260 2.103 20 5 BEBDRO C[C@H](CF)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288479098 383895383 /nfs/dbraw/zinc/89/53/83/383895383.db2.gz POVKCTFWAOFNBI-MRVPVSSYSA-N 1 0 212.224 2.042 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000050269149 383984938 /nfs/dbraw/zinc/98/49/38/383984938.db2.gz QBRDJNGDHMAGGZ-CYBMUJFWSA-N 1 0 248.282 2.377 20 5 BEBDRO C[C@@H](F)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000339496272 383992580 /nfs/dbraw/zinc/99/25/80/383992580.db2.gz QNDCUZAXDKVQPM-SSDOTTSWSA-N 1 0 232.280 2.494 20 5 BEBDRO C[NH+](C)C1(CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000097934056 384063410 /nfs/dbraw/zinc/06/34/10/384063410.db2.gz UHURFLAYEDOELA-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO Cn1cccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050595885 384101117 /nfs/dbraw/zinc/10/11/17/384101117.db2.gz TYCCKLMJXXRDRP-UHFFFAOYSA-N 1 0 245.282 2.223 20 5 BEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC=CCC1 ZINC000611517339 384177525 /nfs/dbraw/zinc/17/75/25/384177525.db2.gz RIRXQKJZFBCSNB-UHFFFAOYSA-N 1 0 248.282 2.236 20 5 BEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000229883939 384280564 /nfs/dbraw/zinc/28/05/64/384280564.db2.gz DSAPGQWFZHLYAV-VIFPVBQESA-N 1 0 246.270 2.169 20 5 BEBDRO COC[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000045657969 384403567 /nfs/dbraw/zinc/40/35/67/384403567.db2.gz BWBXMTGZVQLEFT-QMMMGPOBSA-N 1 0 244.316 2.028 20 5 BEBDRO Cc1ccc(C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000179304433 384853316 /nfs/dbraw/zinc/85/33/16/384853316.db2.gz UKLXVXYDKHVMHT-UHFFFAOYSA-N 1 0 220.272 2.497 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CC1 ZINC000083893548 384921705 /nfs/dbraw/zinc/92/17/05/384921705.db2.gz ACXHFEGCDXJYNK-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CC[NH2+]C1 ZINC000236048915 385024984 /nfs/dbraw/zinc/02/49/84/385024984.db2.gz OVAXWPFFWWIWOP-ZETCQYMHSA-N 1 0 241.678 2.022 20 5 BEBDRO CO[C@H](C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000263823705 385149919 /nfs/dbraw/zinc/14/99/19/385149919.db2.gz RCFDKFKXKNBNDD-SNVBAGLBSA-N 1 0 238.287 2.109 20 5 BEBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052273904 385714287 /nfs/dbraw/zinc/71/42/87/385714287.db2.gz GBFDEEYIOSVEOQ-ONGXEEELSA-N 1 0 220.272 2.401 20 5 BEBDRO COc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052287978 385719703 /nfs/dbraw/zinc/71/97/03/385719703.db2.gz HEXDSPNRRSYOSU-SCZZXKLOSA-N 1 0 236.271 2.101 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000229156890 386669683 /nfs/dbraw/zinc/66/96/83/386669683.db2.gz NDBJNUBGMKLDLD-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCF)CC2 ZINC000151790243 386709441 /nfs/dbraw/zinc/70/94/41/386709441.db2.gz FYXQKGCUUDRSES-UHFFFAOYSA-N 1 0 238.262 2.313 20 5 BEBDRO C[NH+](C)C[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000268107583 386854570 /nfs/dbraw/zinc/85/45/70/386854570.db2.gz DJCOMFGGPORUMN-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO CCSCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000164793881 386927547 /nfs/dbraw/zinc/92/75/47/386927547.db2.gz LRQIVGTTYRYKBT-UHFFFAOYSA-N 1 0 240.328 2.438 20 5 BEBDRO CO[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191204140 387354288 /nfs/dbraw/zinc/35/42/88/387354288.db2.gz WUPVXSQXHCVWTB-SNVBAGLBSA-N 1 0 238.287 2.028 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCF)c1 ZINC000088024874 387517651 /nfs/dbraw/zinc/51/76/51/387517651.db2.gz VBJPPVJSRWAJKC-UHFFFAOYSA-N 1 0 212.224 2.044 20 5 BEBDRO COCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152119930 387601990 /nfs/dbraw/zinc/60/19/90/387601990.db2.gz FCCMATPHBLHMTN-JTQLQIEISA-N 1 0 238.287 2.200 20 5 BEBDRO CCOCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036228500 387882954 /nfs/dbraw/zinc/88/29/54/387882954.db2.gz VNEORAQSALCPAB-SNVBAGLBSA-N 1 0 238.287 2.282 20 5 BEBDRO CCOCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036228495 387883469 /nfs/dbraw/zinc/88/34/69/387883469.db2.gz VNEORAQSALCPAB-JTQLQIEISA-N 1 0 238.287 2.282 20 5 BEBDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176856 388191356 /nfs/dbraw/zinc/19/13/56/388191356.db2.gz LAZOFZYEWGCSSJ-ZJUUUORDSA-N 1 0 238.287 2.280 20 5 BEBDRO C[C@@H]([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000271716813 388399056 /nfs/dbraw/zinc/39/90/56/388399056.db2.gz WXHZWUOUPCGNHI-MRVPVSSYSA-N 1 0 212.224 2.215 20 5 BEBDRO CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444614437 388517253 /nfs/dbraw/zinc/51/72/53/388517253.db2.gz WNMMINZUBWYZBT-UHFFFAOYSA-N 1 0 248.286 2.313 20 5 BEBDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000122896902 388582604 /nfs/dbraw/zinc/58/26/04/388582604.db2.gz PZFJXPYCVXTCSQ-VHSXEESVSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+](C)C)c1 ZINC000094659365 388638027 /nfs/dbraw/zinc/63/80/27/388638027.db2.gz JQZILCHSHDUOAW-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474784 388771929 /nfs/dbraw/zinc/77/19/29/388771929.db2.gz HQSMBAGYQLKPHQ-UHFFFAOYSA-N 1 0 241.266 2.098 20 5 BEBDRO CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285444150 388834728 /nfs/dbraw/zinc/83/47/28/388834728.db2.gz XWFUWMNUQCOHNC-UHFFFAOYSA-N 1 0 208.261 2.089 20 5 BEBDRO CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153345582 388964752 /nfs/dbraw/zinc/96/47/52/388964752.db2.gz DWJDISQBZCAYII-UHFFFAOYSA-N 1 0 220.272 2.363 20 5 BEBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000070534454 132231142 /nfs/dbraw/zinc/23/11/42/132231142.db2.gz QIQCKFHRYNPAMD-WDEREUQCSA-N 1 0 249.314 2.158 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000251016871 132232426 /nfs/dbraw/zinc/23/24/26/132232426.db2.gz NUQQWHFRSANZIK-WDEREUQCSA-N 1 0 249.314 2.090 20 5 BEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000078617693 132303926 /nfs/dbraw/zinc/30/39/26/132303926.db2.gz ADMHWQNUXOJDSD-ZDUSSCGKSA-N 1 0 249.314 2.125 20 5 BEBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000169012035 134248824 /nfs/dbraw/zinc/24/88/24/134248824.db2.gz IXUYKKGIMZXPJL-MRVPVSSYSA-N 1 0 241.266 2.096 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@@H]1CC[NH2+]C1 ZINC000158939373 134755661 /nfs/dbraw/zinc/75/56/61/134755661.db2.gz DRHRVFMFLROQOO-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO CN(c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000265996801 135146716 /nfs/dbraw/zinc/14/67/16/135146716.db2.gz JVMVZGWILYSMRL-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@](C)(C[NH3+])C1 ZINC000261576223 135217323 /nfs/dbraw/zinc/21/73/23/135217323.db2.gz NNSSIXCJNCAKNL-ZDUSSCGKSA-N 1 0 249.314 2.078 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000261598423 135237047 /nfs/dbraw/zinc/23/70/47/135237047.db2.gz ZMYYQARITBOBMS-BDAKNGLRSA-N 1 0 223.276 2.051 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000136403007 397734348 /nfs/dbraw/zinc/73/43/48/397734348.db2.gz AUQIAOGYJKKUBM-KOLCDFICSA-N 1 0 220.272 2.340 20 5 BEBDRO CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000063034284 1172795559 /nfs/dbraw/zinc/79/55/59/1172795559.db2.gz XZQMNSHOXYVGNV-QMMMGPOBSA-N 1 0 226.251 2.274 20 5 BEBDRO CC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080273115 168147334 /nfs/dbraw/zinc/14/73/34/168147334.db2.gz QIOJYJPTHJDUCU-UHFFFAOYSA-N 1 0 220.272 2.483 20 5 BEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000059035204 411498698 /nfs/dbraw/zinc/49/86/98/411498698.db2.gz NSYFDQAYXVJJEY-UHFFFAOYSA-N 1 0 235.287 2.101 20 5 BEBDRO CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000038132186 170157384 /nfs/dbraw/zinc/15/73/84/170157384.db2.gz VBABGGKECAYRBD-SECBINFHSA-N 1 0 208.261 2.135 20 5 BEBDRO CCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000152153770 170389985 /nfs/dbraw/zinc/38/99/85/170389985.db2.gz RGBDHCYFVZQEKV-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000310498668 173363987 /nfs/dbraw/zinc/36/39/87/173363987.db2.gz LIBJHLHMLGOJJW-MRVPVSSYSA-N 1 0 241.266 2.001 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000129524693 173375210 /nfs/dbraw/zinc/37/52/10/173375210.db2.gz HVDONTDHRPPMSA-QMMMGPOBSA-N 1 0 241.266 2.001 20 5 BEBDRO COCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266624967 174282487 /nfs/dbraw/zinc/28/24/87/174282487.db2.gz HCLSVKSOUSHOLL-JTQLQIEISA-N 1 0 238.287 2.234 20 5 BEBDRO COc1ccc(C[NH2+][C@@H](C)CF)cc1[N+](=O)[O-] ZINC000288396134 175109164 /nfs/dbraw/zinc/10/91/64/175109164.db2.gz HMKBBWPLWUVGAO-QMMMGPOBSA-N 1 0 242.250 2.051 20 5 BEBDRO COc1ccc(C[NH2+][C@H](C)CF)cc1[N+](=O)[O-] ZINC000288396133 175111643 /nfs/dbraw/zinc/11/16/43/175111643.db2.gz HMKBBWPLWUVGAO-MRVPVSSYSA-N 1 0 242.250 2.051 20 5 BEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000293454278 177263506 /nfs/dbraw/zinc/26/35/06/177263506.db2.gz POWWIXPZOOJDRW-VHSXEESVSA-N 1 0 220.272 2.435 20 5 BEBDRO C[NH+](C)CC(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC000308649345 229441134 /nfs/dbraw/zinc/44/11/34/229441134.db2.gz XYAXANPDNYLYTR-UHFFFAOYSA-N 1 0 237.303 2.347 20 5 BEBDRO CCC(CC)(C[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905404499 637796360 /nfs/dbraw/zinc/79/63/60/637796360.db2.gz KNPSYUMTDGWPCK-UHFFFAOYSA-N 1 0 242.241 2.221 20 5 BEBDRO Cc1cc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000048334724 322845773 /nfs/dbraw/zinc/84/57/73/322845773.db2.gz YIEYTQLNJCTHBW-UHFFFAOYSA-N 1 0 249.314 2.411 20 5 BEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C1CCCC1)CC2 ZINC000542775709 325045621 /nfs/dbraw/zinc/04/56/21/325045621.db2.gz HNPAZIBNZLIUAW-UHFFFAOYSA-N 1 0 247.298 2.291 20 5 BEBDRO CC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000549808877 325516308 /nfs/dbraw/zinc/51/63/08/325516308.db2.gz YTDZEHJPSRKUCX-UHFFFAOYSA-N 1 0 206.245 2.047 20 5 BEBDRO C[C@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737175 583717893 /nfs/dbraw/zinc/71/78/93/583717893.db2.gz SLKZJPXJJBVWKB-YUMQZZPRSA-N 1 0 241.316 2.161 20 5 BEBDRO CC(C)CCCCCC[NH2+]CC[N+](=O)[O-] ZINC000899859676 584242705 /nfs/dbraw/zinc/24/27/05/584242705.db2.gz MEHLYHLMAXMZJN-UHFFFAOYSA-N 1 0 216.325 2.459 20 5 BEBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899860332 584242734 /nfs/dbraw/zinc/24/27/34/584242734.db2.gz JWISLMDJGVLRMR-NSHDSACASA-N 1 0 222.288 2.047 20 5 BEBDRO CC(C)CCC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000899855879 584243226 /nfs/dbraw/zinc/24/32/26/584243226.db2.gz MGCNTLLEZKWEFM-JTQLQIEISA-N 1 0 202.298 2.068 20 5 BEBDRO C[NH2+][C@H](C)c1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901399334 584438668 /nfs/dbraw/zinc/43/86/68/584438668.db2.gz SFNIWGQDWWPMRE-ZCFIWIBFSA-N 1 0 237.215 2.123 20 5 BEBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000742427322 585126063 /nfs/dbraw/zinc/12/60/63/585126063.db2.gz HPYLCRZEDICJFZ-LLVKDONJSA-N 1 0 249.314 2.491 20 5 BEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761090840 585407992 /nfs/dbraw/zinc/40/79/92/585407992.db2.gz IBUBCGKRPGZNFK-PWSUYJOCSA-N 1 0 248.282 2.068 20 5 BEBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791051343 585972595 /nfs/dbraw/zinc/97/25/95/585972595.db2.gz BFGVFANRHBGJHU-ZDUSSCGKSA-N 1 0 236.315 2.216 20 5 BEBDRO CC(C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735239 586515600 /nfs/dbraw/zinc/51/56/00/586515600.db2.gz WVQDKAXUEJBGAW-UHFFFAOYSA-N 1 0 237.303 2.016 20 5 BEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000817131668 586783643 /nfs/dbraw/zinc/78/36/43/586783643.db2.gz KBBIKGPSBXEMKX-CYBMUJFWSA-N 1 0 249.314 2.125 20 5 BEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCF ZINC000866352770 589487871 /nfs/dbraw/zinc/48/78/71/589487871.db2.gz LWIUYABSKYAYME-MRVPVSSYSA-N 1 0 244.241 2.224 20 5 BEBDRO NC(=NOCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000871763605 589809316 /nfs/dbraw/zinc/80/93/16/589809316.db2.gz MAJXEKLXTVIKNP-UHFFFAOYSA-N 1 0 249.270 2.393 20 5 BEBDRO CC[C@H](CO)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526263 590118805 /nfs/dbraw/zinc/11/88/05/590118805.db2.gz WZOJXYBOOKAPFR-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1c(C[NH+]2CC(C)C2)cccc1[N+](=O)[O-] ZINC000877489308 590338693 /nfs/dbraw/zinc/33/86/93/590338693.db2.gz SZFXMMCRSYGSBT-UHFFFAOYSA-N 1 0 220.272 2.355 20 5 BEBDRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000878316245 590542211 /nfs/dbraw/zinc/54/22/11/590542211.db2.gz HNKYKMKGXJNMOC-WCQYABFASA-N 1 0 232.283 2.497 20 5 BEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000209670066 590655802 /nfs/dbraw/zinc/65/58/02/590655802.db2.gz MWYQZOTVDSARTG-GHMZBOCLSA-N 1 0 249.314 2.124 20 5 BEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880292546 590987325 /nfs/dbraw/zinc/98/73/25/590987325.db2.gz QZPAKGCXPLGCIH-LLVKDONJSA-N 1 0 238.262 2.386 20 5 BEBDRO CC[C@@H](C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886005400 592128685 /nfs/dbraw/zinc/12/86/85/592128685.db2.gz ADHGSFAKNFNLJO-SNVBAGLBSA-N 1 0 237.303 2.468 20 5 BEBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886032568 592136361 /nfs/dbraw/zinc/13/63/61/592136361.db2.gz JCYHEDXBJNHKMR-VHSXEESVSA-N 1 0 235.287 2.220 20 5 BEBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000886288586 592200791 /nfs/dbraw/zinc/20/07/91/592200791.db2.gz CKODARVIEMTWNU-LLVKDONJSA-N 1 0 249.314 2.468 20 5 BEBDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000098005680 631346180 /nfs/dbraw/zinc/34/61/80/631346180.db2.gz RPDUIOABVBVSFC-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227512390 632428096 /nfs/dbraw/zinc/42/80/96/632428096.db2.gz DKZFSRWWQCNMGH-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000123997550 634371453 /nfs/dbraw/zinc/37/14/53/634371453.db2.gz GNBHKJDOPPVJFQ-UHFFFAOYSA-N 1 0 238.291 2.013 20 5 BEBDRO CC[N@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000124000542 634372280 /nfs/dbraw/zinc/37/22/80/634372280.db2.gz KSFOAZAKZFQNSJ-UHFFFAOYSA-N 1 0 238.291 2.013 20 5 BEBDRO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341589254 636284645 /nfs/dbraw/zinc/28/46/45/636284645.db2.gz SFCMONRYSVVWET-GUBZILKMSA-N 1 0 238.287 2.015 20 5 BEBDRO CCC(N)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000728910566 636409240 /nfs/dbraw/zinc/40/92/40/636409240.db2.gz PJFJMLMDYGGARR-UHFFFAOYSA-N 1 0 241.222 2.142 20 5 BEBDRO C[C@@H](CC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905082624 637583045 /nfs/dbraw/zinc/58/30/45/637583045.db2.gz UXQPRLYGKKCUAO-NSHDSACASA-N 1 0 222.288 2.047 20 5 BEBDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905117320 637622851 /nfs/dbraw/zinc/62/28/51/637622851.db2.gz NUVFUTCAENUGTA-GHMZBOCLSA-N 1 0 214.309 2.069 20 5 BEBDRO C[C@H]1CCC[C@@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905121214 637627368 /nfs/dbraw/zinc/62/73/68/637627368.db2.gz BCRUFOWQXKHUDO-QWRGUYRKSA-N 1 0 214.309 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000905272139 637729480 /nfs/dbraw/zinc/72/94/80/637729480.db2.gz FXPJCKLBLNKDKH-LBPRGKRZSA-N 1 0 238.262 2.069 20 5 BEBDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272959 637731874 /nfs/dbraw/zinc/73/18/74/637731874.db2.gz JBDZWHRJLDNMTM-WDEREUQCSA-N 1 0 214.309 2.069 20 5 BEBDRO CC1(C)C[C@@]1(C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905386203 637786822 /nfs/dbraw/zinc/78/68/22/637786822.db2.gz OOECPOKOEDOSFE-CQSZACIVSA-N 1 0 248.326 2.221 20 5 BEBDRO CCSc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905408631 637798472 /nfs/dbraw/zinc/79/84/72/637798472.db2.gz AJSLODMGMKOSCP-UHFFFAOYSA-N 1 0 240.328 2.165 20 5 BEBDRO CCOc1cccc([C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930210633 639636915 /nfs/dbraw/zinc/63/69/15/639636915.db2.gz HSZMIXNJXUYYHS-JTQLQIEISA-N 1 0 238.287 2.013 20 5 BEBDRO Cc1ccc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)c(C)c1 ZINC000930274600 639677882 /nfs/dbraw/zinc/67/78/82/639677882.db2.gz VSEBERUYWGBNCK-ZDUSSCGKSA-N 1 0 248.326 2.369 20 5 BEBDRO CC1(C)CN(CC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000930492843 639782317 /nfs/dbraw/zinc/78/23/17/639782317.db2.gz KEFYRWKDWHMJOF-JTQLQIEISA-N 1 0 240.328 2.408 20 5 BEBDRO CC1(C)C[C@]1([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000931078983 640060519 /nfs/dbraw/zinc/06/05/19/640060519.db2.gz HSDXVWYTKMXLKB-ZDUSSCGKSA-N 1 0 234.299 2.178 20 5 BEBDRO CC[C@@](C)([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000931380285 640172216 /nfs/dbraw/zinc/17/22/16/640172216.db2.gz HWJGHOAIUIMZMN-GFCCVEGCSA-N 1 0 240.278 2.317 20 5 BEBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000934617461 641213964 /nfs/dbraw/zinc/21/39/64/641213964.db2.gz JDIYXCUTXILNIQ-ZYHUDNBSSA-N 1 0 247.298 2.434 20 5 BEBDRO CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000063730666 641219527 /nfs/dbraw/zinc/21/95/27/641219527.db2.gz PUYARHJJVADHKR-UHFFFAOYSA-N 1 0 248.286 2.244 20 5 BEBDRO CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000080112868 644234763 /nfs/dbraw/zinc/23/47/63/644234763.db2.gz TUALLWKKOWYEHU-UHFFFAOYSA-N 1 0 208.261 2.355 20 5 BEBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089092107 644533873 /nfs/dbraw/zinc/53/38/73/644533873.db2.gz INBWZTFZSQBJJA-SKDRFNHKSA-N 1 0 235.287 2.134 20 5 BEBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000929713912 646266833 /nfs/dbraw/zinc/26/68/33/646266833.db2.gz HXOJKVHHRHUMLZ-TZMCWYRMSA-N 1 0 248.326 2.389 20 5 BEBDRO CCC(CC)[N@H+](CC[N+](=O)[O-])CC(C)C ZINC000929786544 646315133 /nfs/dbraw/zinc/31/51/33/646315133.db2.gz XWIBHQBLUAIPJL-UHFFFAOYSA-N 1 0 216.325 2.410 20 5 BEBDRO CC(C)CC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929834293 646349172 /nfs/dbraw/zinc/34/91/72/646349172.db2.gz JFUAPGXNOPZEOT-UHFFFAOYSA-N 1 0 214.309 2.021 20 5 BEBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000929860324 646363018 /nfs/dbraw/zinc/36/30/18/646363018.db2.gz FNLFVAKWSQYAMY-LBPRGKRZSA-N 1 0 240.278 2.389 20 5 BEBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000929960480 646378268 /nfs/dbraw/zinc/37/82/68/646378268.db2.gz DITTXIWIJASNJF-GHMZBOCLSA-N 1 0 228.336 2.458 20 5 BEBDRO COCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926245 711644899 /nfs/dbraw/zinc/64/48/99/711644899.db2.gz GNRXOFKJEYRRAM-JTQLQIEISA-N 1 0 238.287 2.109 20 5 BEBDRO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000038006128 712798879 /nfs/dbraw/zinc/79/88/79/712798879.db2.gz BHIGVUVLIMLSJG-SECBINFHSA-N 1 0 246.270 2.169 20 5 BEBDRO C[C@H]1[C@@H](Nc2ccsc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719597373 712813615 /nfs/dbraw/zinc/81/36/15/712813615.db2.gz HAVVSFKWVVALTF-YUMQZZPRSA-N 1 0 241.316 2.161 20 5 BEBDRO Cc1ccc(N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000719622232 712817301 /nfs/dbraw/zinc/81/73/01/712817301.db2.gz FPSUPCIAAHCQNW-QWRGUYRKSA-N 1 0 249.314 2.408 20 5 BEBDRO CC[N+](C)(C)Cc1ccccc1NCC(C)=O ZINC001167630855 959144445 /nfs/dbraw/zinc/14/44/45/959144445.db2.gz PJMVFFWDVYYHQA-UHFFFAOYSA-N 1 0 235.351 2.284 20 5 BEBDRO CCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168132141 963818809 /nfs/dbraw/zinc/81/88/09/963818809.db2.gz VQPOWADPPHXGAG-UHFFFAOYSA-N 1 0 221.260 2.020 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1CC(F)(F)C1(F)F ZINC001224621300 964810929 /nfs/dbraw/zinc/81/09/29/964810929.db2.gz QPXZWNYIOPHOLR-MRVPVSSYSA-N 1 0 244.252 2.142 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001168961912 969312615 /nfs/dbraw/zinc/31/26/15/969312615.db2.gz LEBPOCDXFIOADP-WCBMZHEXSA-N 1 0 248.273 2.067 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC23CC3)C1 ZINC001169005682 969328223 /nfs/dbraw/zinc/32/82/23/969328223.db2.gz CDVMNGRAXLJDNX-WDEREUQCSA-N 1 0 224.304 2.060 20 5 BEBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009813 969333586 /nfs/dbraw/zinc/33/35/86/969333586.db2.gz YHCLKYUSYLUGIC-IJLUTSLNSA-N 1 0 226.320 2.164 20 5 BEBDRO CC[N@H+](C(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009687 969334794 /nfs/dbraw/zinc/33/47/94/969334794.db2.gz XGRYNJGKBDVLLS-MNOVXSKESA-N 1 0 214.309 2.162 20 5 BEBDRO C[N@H+](CCC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039139 969356764 /nfs/dbraw/zinc/35/67/64/969356764.db2.gz NNSNFXFEHXGRAJ-NEPJUHHUSA-N 1 0 226.320 2.164 20 5 BEBDRO COc1ccc(C)cc1O[C@H](C)C[N+](C)(C)C ZINC001225325751 1166967316 /nfs/dbraw/zinc/96/73/16/1166967316.db2.gz KHUNWGSJWWNLPG-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO CC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168000582 1167135575 /nfs/dbraw/zinc/13/55/75/1167135575.db2.gz QMWQOJOBHXCMHF-QMMMGPOBSA-N 1 0 235.287 2.408 20 5 BEBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000309186665 1167264543 /nfs/dbraw/zinc/26/45/43/1167264543.db2.gz AAQOALKVWNTEBI-UHFFFAOYSA-N 1 0 224.235 2.376 20 5 BEBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1F ZINC001225943367 974740382 /nfs/dbraw/zinc/74/03/82/974740382.db2.gz ZCCVWHLVXARZSV-MRVPVSSYSA-N 1 0 242.250 2.063 20 5 BEBDRO Cc1cc(O)cc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001225963303 974744452 /nfs/dbraw/zinc/74/44/52/974744452.db2.gz AFCAEWQGLHBDMQ-GFCCVEGCSA-O 1 0 238.351 2.483 20 5 BEBDRO CC(C)[C@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771669 973937863 /nfs/dbraw/zinc/93/78/63/973937863.db2.gz QLDITTRDKKCSGX-VIFPVBQESA-N 1 0 228.278 2.296 20 5 BEBDRO C[C@H](O[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001217824895 959623035 /nfs/dbraw/zinc/62/30/35/959623035.db2.gz YLVNGLBTFMCYEE-CABZTGNLSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1ccccc1 ZINC001204638142 960379619 /nfs/dbraw/zinc/37/96/19/960379619.db2.gz DZCJEULYQVOUTQ-LBPRGKRZSA-N 1 0 208.325 2.298 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cc1 ZINC001225248379 961940632 /nfs/dbraw/zinc/94/06/32/961940632.db2.gz UHICFWKISWEBSU-JTQLQIEISA-N 1 0 212.288 2.299 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2n[nH]cc2c1 ZINC001225720696 962760764 /nfs/dbraw/zinc/76/07/64/962760764.db2.gz OFMNXCTYOBLMLP-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@@H](COC(C)(C)C)OCCC[N+](C)(C)C ZINC001224618209 964811471 /nfs/dbraw/zinc/81/14/71/964811471.db2.gz DOFKSJYXLDBGTQ-LBPRGKRZSA-N 1 0 232.388 2.303 20 5 BEBDRO CCC1(Nc2cccc(C)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168584070 966932700 /nfs/dbraw/zinc/93/27/00/966932700.db2.gz YCOFECKJKLRATD-UHFFFAOYSA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1[nH+]cn(C)c1Nc1cccc([N+](=O)[O-])c1 ZINC001204440076 966998295 /nfs/dbraw/zinc/99/82/95/966998295.db2.gz QLDQTUQLKDMDHC-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO Cc1occc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978230 969298528 /nfs/dbraw/zinc/29/85/28/969298528.db2.gz QCEMVARNXCWFHU-JQWIXIFHSA-N 1 0 238.287 2.123 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC001168978355 969299512 /nfs/dbraw/zinc/29/95/12/969299512.db2.gz RGSGUZFIQNULPA-JOYOIKCWSA-N 1 0 238.331 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)C1 ZINC001168984904 969302293 /nfs/dbraw/zinc/30/22/93/969302293.db2.gz RECVQBRBGXCFGH-KXUCPTDWSA-N 1 0 248.273 2.209 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)C1 ZINC001168956350 969305607 /nfs/dbraw/zinc/30/56/07/969305607.db2.gz AYQUNVFYOWFVMA-FIQHERPVSA-N 1 0 244.310 2.160 20 5 BEBDRO CC(C)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956849 969307463 /nfs/dbraw/zinc/30/74/63/969307463.db2.gz GCPGCTJKPISLOB-GHMZBOCLSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC001168956966 969307724 /nfs/dbraw/zinc/30/77/24/969307724.db2.gz DALISVGLZXVACV-WRWGMCAJSA-N 1 0 244.310 2.302 20 5 BEBDRO CCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958771 969309695 /nfs/dbraw/zinc/30/96/95/969309695.db2.gz PMNODRFZQIAHAD-QWRGUYRKSA-N 1 0 214.309 2.212 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001168961183 969313887 /nfs/dbraw/zinc/31/38/87/969313887.db2.gz HQDKLIJITDPAOJ-NWDGAFQWSA-N 1 0 226.320 2.212 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC001168963812 969316421 /nfs/dbraw/zinc/31/64/21/969316421.db2.gz QCOXUYHBUNWUQP-KXUCPTDWSA-N 1 0 248.273 2.209 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCC(F)CC2)C1 ZINC001168964211 969316447 /nfs/dbraw/zinc/31/64/47/969316447.db2.gz RUTQTDARACGENX-XKGSQUFQSA-N 1 0 244.310 2.302 20 5 BEBDRO CCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168992799 969325508 /nfs/dbraw/zinc/32/55/08/969325508.db2.gz KQEDTLMGIJPMEZ-QWRGUYRKSA-N 1 0 226.320 2.354 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CC2)C1 ZINC001169006488 969329695 /nfs/dbraw/zinc/32/96/95/969329695.db2.gz YAYIPXQPQBIVIA-VXGBXAGGSA-N 1 0 238.331 2.354 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]3C2)C1 ZINC001169007444 969335584 /nfs/dbraw/zinc/33/55/84/969335584.db2.gz NUHZLCKZWHHVKS-VOAKCMCISA-N 1 0 238.331 2.164 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC3)CC2)C1 ZINC001169011308 969340016 /nfs/dbraw/zinc/34/00/16/969340016.db2.gz JQFALRSZZPJINZ-NWDGAFQWSA-N 1 0 238.331 2.308 20 5 BEBDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014038 969342605 /nfs/dbraw/zinc/34/26/05/969342605.db2.gz YHRSSPOBIUKNCZ-BJDJZHNGSA-N 1 0 244.310 2.112 20 5 BEBDRO CC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036835 969355252 /nfs/dbraw/zinc/35/52/52/969355252.db2.gz QEUMWEMISFMEFJ-TUAOUCFPSA-N 1 0 226.320 2.306 20 5 BEBDRO C[N@H+](CC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038368 969355798 /nfs/dbraw/zinc/35/57/98/969355798.db2.gz YJCBEXMIMLIGOK-GHMZBOCLSA-N 1 0 228.336 2.410 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2C3CCC2CC3)C1 ZINC001169037206 969358076 /nfs/dbraw/zinc/35/80/76/969358076.db2.gz RDTJQJFTKFYWST-HBIQZDMRSA-N 1 0 224.304 2.059 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC3(CCC3)C2)C1 ZINC001169037567 969358462 /nfs/dbraw/zinc/35/84/62/969358462.db2.gz SOFBTTCXSKHVQC-VXGBXAGGSA-N 1 0 238.331 2.308 20 5 BEBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169026385 969364023 /nfs/dbraw/zinc/36/40/23/969364023.db2.gz LMXYZVQWBYHOCR-VHSXEESVSA-N 1 0 214.309 2.162 20 5 BEBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169026383 969366451 /nfs/dbraw/zinc/36/64/51/969366451.db2.gz LMXYZVQWBYHOCR-NXEZZACHSA-N 1 0 214.309 2.162 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC001254550608 969735905 /nfs/dbraw/zinc/73/59/05/969735905.db2.gz NDDZIRSGORAUHR-LLVKDONJSA-N 1 0 234.299 2.478 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1F ZINC001254537367 969736269 /nfs/dbraw/zinc/73/62/69/969736269.db2.gz DALBNIZJCSIRFP-FBIMIBRVSA-N 1 0 238.262 2.226 20 5 BEBDRO CC1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254566350 969739952 /nfs/dbraw/zinc/73/99/52/969739952.db2.gz JOKGESHWZUFYNZ-LBPRGKRZSA-N 1 0 246.310 2.452 20 5 BEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCF ZINC001254567945 969741375 /nfs/dbraw/zinc/74/13/75/969741375.db2.gz DATLSJDQSKKLFM-SNVBAGLBSA-N 1 0 240.278 2.427 20 5 BEBDRO CC1CC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566252 969742476 /nfs/dbraw/zinc/74/24/76/969742476.db2.gz IVYOUWHYHZESEF-UTVJUBTNSA-N 1 0 246.310 2.450 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCC1CC1)C2 ZINC001254574004 969742544 /nfs/dbraw/zinc/74/25/44/969742544.db2.gz FGINIJOCUFBOMM-CYBMUJFWSA-N 1 0 246.310 2.452 20 5 BEBDRO CC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597899 969743789 /nfs/dbraw/zinc/74/37/89/969743789.db2.gz IYFKAHOCELNYDA-CYBMUJFWSA-N 1 0 232.283 2.014 20 5 BEBDRO C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593134 969745186 /nfs/dbraw/zinc/74/51/86/969745186.db2.gz IXIYYGJOAXSAML-YGRLFVJLSA-N 1 0 246.310 2.404 20 5 BEBDRO C[C@@H]1CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593333 969746182 /nfs/dbraw/zinc/74/61/82/969746182.db2.gz KVPBZWPRDSSIBE-NOZJJQNGSA-N 1 0 232.283 2.156 20 5 BEBDRO C[C@@H]1CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593334 969746334 /nfs/dbraw/zinc/74/63/34/969746334.db2.gz KVPBZWPRDSSIBE-RNCFNFMXSA-N 1 0 232.283 2.156 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1Nc1c[nH+]cn1C ZINC001210444608 969889012 /nfs/dbraw/zinc/88/90/12/969889012.db2.gz IRYVFIVMHXLVPX-UHFFFAOYSA-N 1 0 248.242 2.081 20 5 BEBDRO Cn1c[nH+]cc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952142 970089494 /nfs/dbraw/zinc/08/94/94/970089494.db2.gz YDVZXCZKKSICCQ-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO C[C@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])cc1 ZINC001222791458 972696792 /nfs/dbraw/zinc/69/67/92/972696792.db2.gz RUOXYTLJNGDHGM-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO CC(C)([NH3+])CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001171194762 972847455 /nfs/dbraw/zinc/84/74/55/972847455.db2.gz DMTNDOHUNLHEGH-UHFFFAOYSA-N 1 0 248.286 2.225 20 5 BEBDRO C[C@H](C[N+](C)(C)C)O[C@@H]1Cc2ccccc21 ZINC001224072287 973445640 /nfs/dbraw/zinc/44/56/40/973445640.db2.gz VOBOPUWCYRJVDB-BXUZGUMPSA-N 1 0 220.336 2.395 20 5 BEBDRO C[N+](C)(C)CCO[C@H]1CCc2ccccc21 ZINC001224770518 973929980 /nfs/dbraw/zinc/92/99/80/973929980.db2.gz BDFNTTVXQMHUGN-AWEZNQCLSA-N 1 0 220.336 2.397 20 5 BEBDRO C[C@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224771358 973935756 /nfs/dbraw/zinc/93/57/56/973935756.db2.gz LEPRQKIMFXCTRK-LBPRGKRZSA-N 1 0 208.325 2.470 20 5 BEBDRO C[C@H](COc1ccccc1)OCC[N+](C)(C)C ZINC001224771799 973937514 /nfs/dbraw/zinc/93/75/14/973937514.db2.gz RZHVPALJWPEOTQ-CYBMUJFWSA-N 1 0 238.351 2.177 20 5 BEBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001225254819 974316252 /nfs/dbraw/zinc/31/62/52/974316252.db2.gz MPSQLVKZLZMFSX-NSHDSACASA-N 1 0 224.324 2.169 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2ccccc21 ZINC001226469351 974916925 /nfs/dbraw/zinc/91/69/25/974916925.db2.gz BLNMSGUVXHRGAU-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001173221843 975073886 /nfs/dbraw/zinc/07/38/86/975073886.db2.gz MRWQANASJPQTRI-WCFLWFBJSA-N 1 0 246.310 2.478 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1F ZINC001173218960 975074599 /nfs/dbraw/zinc/07/45/99/975074599.db2.gz USULRDLWNZPVIV-GGZOMVNGSA-N 1 0 238.262 2.226 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Cl)n1 ZINC001227927921 975797480 /nfs/dbraw/zinc/79/74/80/975797480.db2.gz NEKGVLRIZKUNDC-VIFPVBQESA-N 1 0 229.731 2.209 20 5 BEBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001228064489 975886710 /nfs/dbraw/zinc/88/67/10/975886710.db2.gz VJJZEOMBBXFNEV-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)ncn2C ZINC001228346894 976139428 /nfs/dbraw/zinc/13/94/28/976139428.db2.gz SDESBBHSHMMKGN-NSHDSACASA-N 1 0 248.350 2.047 20 5 BEBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001333894062 976144716 /nfs/dbraw/zinc/14/47/16/976144716.db2.gz KRYMQIWKAXNZGN-GFCCVEGCSA-N 1 0 222.288 2.394 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC001334159942 976341606 /nfs/dbraw/zinc/34/16/06/976341606.db2.gz KORHVEKVUVMNCA-QWRGUYRKSA-N 1 0 214.309 2.164 20 5 BEBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cnc1F ZINC001228582230 976347655 /nfs/dbraw/zinc/34/76/55/976347655.db2.gz GTZHBEJNDDIJEZ-SNVBAGLBSA-N 1 0 227.303 2.003 20 5 BEBDRO Cc1cc(O[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001228833901 976511708 /nfs/dbraw/zinc/51/17/08/976511708.db2.gz ULZXVDPQUDDJHK-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001335816490 977301416 /nfs/dbraw/zinc/30/14/16/977301416.db2.gz VOCBIDXAXUKZLO-WDEREUQCSA-N 1 0 214.309 2.212 20 5 BEBDRO COc1c(F)cccc1O[C@H](C)C[N+](C)(C)C ZINC001230833152 977341350 /nfs/dbraw/zinc/34/13/50/977341350.db2.gz SHGSIRJLNIHPCE-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@H](OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001206278827 978148921 /nfs/dbraw/zinc/14/89/21/978148921.db2.gz UEMVXWONYOIYGR-JTQLQIEISA-N 1 0 238.287 2.234 20 5 BEBDRO CCc1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001233579294 978631676 /nfs/dbraw/zinc/63/16/76/978631676.db2.gz BPTMKZNHDYPFFN-NSHDSACASA-O 1 0 238.351 2.428 20 5 BEBDRO Cc1cc2c[nH]nc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001234038184 978761983 /nfs/dbraw/zinc/76/19/83/978761983.db2.gz XMHSHAAHIPRAPL-NSHDSACASA-N 1 0 248.350 2.345 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cnn(C)c2c1 ZINC001234523224 978853803 /nfs/dbraw/zinc/85/38/03/978853803.db2.gz FDALTFBSLAIPFB-LLVKDONJSA-N 1 0 248.350 2.047 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2[nH]ccc2cn1 ZINC001234525702 978855706 /nfs/dbraw/zinc/85/57/06/978855706.db2.gz LFUQYAJJVNYEFZ-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO CCc1cccnc1O[C@H](C)C[N+](C)(C)C ZINC001234578139 978862671 /nfs/dbraw/zinc/86/26/71/978862671.db2.gz KUTWQJUSGLDJGT-LLVKDONJSA-N 1 0 223.340 2.118 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2cccnc2[nH]1 ZINC001234629460 978879081 /nfs/dbraw/zinc/87/90/81/978879081.db2.gz IKTZFNGEAKVITD-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nc2sccc2[nH]1 ZINC001234848515 978917690 /nfs/dbraw/zinc/91/76/90/978917690.db2.gz QLBALEXGESAJIQ-MRVPVSSYSA-N 1 0 240.352 2.098 20 5 BEBDRO Cc1cccc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)c1 ZINC001341025449 979195306 /nfs/dbraw/zinc/19/53/06/979195306.db2.gz OCHUGKIMRGIWBS-CYBMUJFWSA-N 1 0 234.299 2.061 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)C1 ZINC000158658621 981304476 /nfs/dbraw/zinc/30/44/76/981304476.db2.gz XFURNPDALMPBCT-JTQLQIEISA-N 1 0 235.287 2.019 20 5 BEBDRO CC(C)CCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001473228238 987380322 /nfs/dbraw/zinc/38/03/22/987380322.db2.gz WLYBZUXCGUAEBS-UHFFFAOYSA-N 1 0 228.336 2.411 20 5 BEBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001262257256 992822472 /nfs/dbraw/zinc/82/24/72/992822472.db2.gz GKTQDEDOKQAJEQ-GHMZBOCLSA-N 1 0 214.309 2.068 20 5 BEBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277776 992834673 /nfs/dbraw/zinc/83/46/73/992834673.db2.gz OGJOJTIAJIGJAA-GXTWGEPZSA-N 1 0 248.326 2.450 20 5 BEBDRO Cc1cc(O[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000043501535 1171294093 /nfs/dbraw/zinc/29/40/93/1171294093.db2.gz RAGLDDZYJLPYMG-LLVKDONJSA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCC1 ZINC000054128713 178272439 /nfs/dbraw/zinc/27/24/39/178272439.db2.gz XSVLJKDPCRSASR-UHFFFAOYSA-N 1 0 249.314 2.411 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]([NH3+])C1CC1 ZINC000129301291 178272535 /nfs/dbraw/zinc/27/25/35/178272535.db2.gz MIQLVLQSZCZCSI-LLVKDONJSA-N 1 0 235.287 2.052 20 5 BEBDRO C[C@H]1C[C@@H]1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000488446664 398270704 /nfs/dbraw/zinc/27/07/04/398270704.db2.gz HLYLZRUUEXJBDX-CMPLNLGQSA-N 1 0 234.299 2.383 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000600184955 342697964 /nfs/dbraw/zinc/69/79/64/342697964.db2.gz JAAMVVTWKAZGMI-PHIMTYICSA-N 1 0 218.256 2.047 20 5 BEBDRO COC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087678 398304176 /nfs/dbraw/zinc/30/41/76/398304176.db2.gz CBZBNTCDUNHVCM-ZJUUUORDSA-N 1 0 238.287 2.280 20 5 BEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196123 398316161 /nfs/dbraw/zinc/31/61/61/398316161.db2.gz VQNBKJNGZYFVNN-GXSJLCMTSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[NH+]1CCCC1 ZINC000048322153 343015747 /nfs/dbraw/zinc/01/57/47/343015747.db2.gz GKUODVFXGLEOKW-UHFFFAOYSA-N 1 0 235.287 2.103 20 5 BEBDRO CC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611084490 344246316 /nfs/dbraw/zinc/24/63/16/344246316.db2.gz BEGBEEMDANQRBZ-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO Cc1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000044503112 345099493 /nfs/dbraw/zinc/09/94/93/345099493.db2.gz HTHMHDGKVFFSDZ-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO C[NH+]1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000044526191 345106244 /nfs/dbraw/zinc/10/62/44/345106244.db2.gz ABYCDHHESFLQIR-UHFFFAOYSA-N 1 0 249.314 2.349 20 5 BEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000091481991 345595131 /nfs/dbraw/zinc/59/51/31/345595131.db2.gz ZQBQIKOQXMZNQG-CYBMUJFWSA-N 1 0 249.314 2.347 20 5 BEBDRO CC(C)(F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601136946 346278475 /nfs/dbraw/zinc/27/84/75/346278475.db2.gz NNHUODROHZDHRR-UHFFFAOYSA-N 1 0 226.251 2.433 20 5 BEBDRO CN(CCC[NH+](C)C)c1ccsc1[N+](=O)[O-] ZINC000601138453 346312597 /nfs/dbraw/zinc/31/25/97/346312597.db2.gz TWRVDRQUGKKGIM-UHFFFAOYSA-N 1 0 243.332 2.044 20 5 BEBDRO Cc1cccc(NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000235896390 179148263 /nfs/dbraw/zinc/14/82/63/179148263.db2.gz PGGAIQSLMKDXAD-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1cccc(N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235929503 179157801 /nfs/dbraw/zinc/15/78/01/179157801.db2.gz HXPIDESLQLLBTR-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(C2CC2)C1 ZINC000589736718 346734345 /nfs/dbraw/zinc/73/43/45/346734345.db2.gz DVNXSEKNANGUQZ-UHFFFAOYSA-N 1 0 232.283 2.437 20 5 BEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC1 ZINC000595009681 348159222 /nfs/dbraw/zinc/15/92/22/348159222.db2.gz ZJWLACHDCACHJO-QMMMGPOBSA-N 1 0 236.271 2.416 20 5 BEBDRO Cc1noc(C[NH2+][C@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595455820 348254505 /nfs/dbraw/zinc/25/45/05/348254505.db2.gz VOHGRWQYOSMVBU-APPZFPTMSA-N 1 0 239.275 2.169 20 5 BEBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595455822 348254750 /nfs/dbraw/zinc/25/47/50/348254750.db2.gz VOHGRWQYOSMVBU-IONNQARKSA-N 1 0 239.275 2.169 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595805743 348348233 /nfs/dbraw/zinc/34/82/33/348348233.db2.gz BNKKWSWNVXXCTE-STQMWFEESA-N 1 0 246.310 2.479 20 5 BEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595806751 348348345 /nfs/dbraw/zinc/34/83/45/348348345.db2.gz FYIPPRBVUYMWRU-RYUDHWBXSA-N 1 0 232.283 2.437 20 5 BEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000596432438 348545380 /nfs/dbraw/zinc/54/53/80/348545380.db2.gz PINOXCSDEGPKGH-MRVPVSSYSA-N 1 0 243.332 2.408 20 5 BEBDRO C[C@H](CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000596424289 348528734 /nfs/dbraw/zinc/52/87/34/348528734.db2.gz GFLSYNXJPCYNRK-SNVBAGLBSA-N 1 0 237.303 2.347 20 5 BEBDRO C[NH2+]C1(CNc2sccc2[N+](=O)[O-])CCC1 ZINC000598635445 349014343 /nfs/dbraw/zinc/01/43/43/349014343.db2.gz XEEXTPMHNKDQQI-UHFFFAOYSA-N 1 0 241.316 2.210 20 5 BEBDRO C[N@@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000309475148 350562829 /nfs/dbraw/zinc/56/28/29/350562829.db2.gz RPWITYFKXUHXCM-QMMMGPOBSA-N 1 0 241.316 2.020 20 5 BEBDRO COc1ccc(C[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000052210505 350967836 /nfs/dbraw/zinc/96/78/36/350967836.db2.gz RPJPVBNLZRACPH-UHFFFAOYSA-N 1 0 236.271 2.246 20 5 BEBDRO CC(C)([NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000232569770 353133224 /nfs/dbraw/zinc/13/32/24/353133224.db2.gz MLMWBDSOEATAIZ-UHFFFAOYSA-N 1 0 243.694 2.397 20 5 BEBDRO CCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000063755617 356424554 /nfs/dbraw/zinc/42/45/54/356424554.db2.gz HRUFZGWRZMLVMB-UHFFFAOYSA-N 1 0 238.287 2.315 20 5 BEBDRO CC[C@H]([NH2+][C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602179 358002597 /nfs/dbraw/zinc/00/25/97/358002597.db2.gz YMZYDDOIMRWRPL-CABZTGNLSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000077242907 325371229 /nfs/dbraw/zinc/37/12/29/325371229.db2.gz NHIURJPOTQKNIC-UHFFFAOYSA-N 1 0 224.260 2.055 20 5 BEBDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176854 361720363 /nfs/dbraw/zinc/72/03/63/361720363.db2.gz LAZOFZYEWGCSSJ-UWVGGRQHSA-N 1 0 238.287 2.280 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037179580 361724711 /nfs/dbraw/zinc/72/47/11/361724711.db2.gz XYYOGHGQQBQUAK-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO C[NH+](C)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000057838824 368500123 /nfs/dbraw/zinc/50/01/23/368500123.db2.gz RFUXIYCQHGLTKG-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)c1 ZINC000094659452 369442969 /nfs/dbraw/zinc/44/29/69/369442969.db2.gz QJRFEIADBVISMT-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1 ZINC000070533582 371043247 /nfs/dbraw/zinc/04/32/47/371043247.db2.gz RWDLQBFQUJBGGS-LLVKDONJSA-N 1 0 237.303 2.380 20 5 BEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000019983262 371214196 /nfs/dbraw/zinc/21/41/96/371214196.db2.gz BRXCVRHMBKTTTF-ZDUSSCGKSA-N 1 0 249.314 2.491 20 5 BEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000019983256 371214213 /nfs/dbraw/zinc/21/42/13/371214213.db2.gz BRXCVRHMBKTTTF-CYBMUJFWSA-N 1 0 249.314 2.491 20 5 BEBDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202417 371569006 /nfs/dbraw/zinc/56/90/06/371569006.db2.gz VMEFVUIKAUQXFK-MWLCHTKSSA-N 1 0 236.271 2.034 20 5 BEBDRO CC(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509415 371817041 /nfs/dbraw/zinc/81/70/41/371817041.db2.gz XGWMBQVITFLLCN-UHFFFAOYSA-N 1 0 235.243 2.234 20 5 BEBDRO [NH3+]CCCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000236214017 385078510 /nfs/dbraw/zinc/07/85/10/385078510.db2.gz AGMDVPXFVMDLDY-UHFFFAOYSA-N 1 0 243.694 2.399 20 5 BEBDRO CC[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000289742079 385138489 /nfs/dbraw/zinc/13/84/89/385138489.db2.gz HOMUKQNNBWHUDU-LLVKDONJSA-N 1 0 238.287 2.109 20 5 BEBDRO CO[C@H](C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000263815756 385146725 /nfs/dbraw/zinc/14/67/25/385146725.db2.gz OKCRKLGFYBHKCT-MRVPVSSYSA-N 1 0 244.316 2.171 20 5 BEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000052093701 385659539 /nfs/dbraw/zinc/65/95/39/385659539.db2.gz DRVPBXOTWREUCZ-ZETCQYMHSA-N 1 0 241.678 2.022 20 5 BEBDRO COC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995534 385685385 /nfs/dbraw/zinc/68/53/85/385685385.db2.gz LONNUXGACJVHOJ-SNVBAGLBSA-N 1 0 238.287 2.028 20 5 BEBDRO C[NH+](C)C1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000397801571 385712239 /nfs/dbraw/zinc/71/22/39/385712239.db2.gz ASDWCWQRHLURPG-UHFFFAOYSA-N 1 0 235.287 2.101 20 5 BEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293454280 385744937 /nfs/dbraw/zinc/74/49/37/385744937.db2.gz POWWIXPZOOJDRW-ZJUUUORDSA-N 1 0 220.272 2.435 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]([NH3+])C2CC2)c1 ZINC000129319734 386052206 /nfs/dbraw/zinc/05/22/06/386052206.db2.gz POQKCMOJUBDIGI-JTQLQIEISA-N 1 0 235.287 2.052 20 5 BEBDRO C[C@H]([NH2+]CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293901012 386101075 /nfs/dbraw/zinc/10/10/75/386101075.db2.gz WKKHJLHYQZXTDU-QMMMGPOBSA-N 1 0 235.287 2.238 20 5 BEBDRO CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183252270 386416881 /nfs/dbraw/zinc/41/68/81/386416881.db2.gz SCUCSWRCOIRHRC-UHFFFAOYSA-N 1 0 208.261 2.355 20 5 BEBDRO CN(CC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000301213090 386824657 /nfs/dbraw/zinc/82/46/57/386824657.db2.gz WCGOCEGYBXXJTB-UHFFFAOYSA-N 1 0 249.314 2.127 20 5 BEBDRO Cc1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255317 387022253 /nfs/dbraw/zinc/02/22/53/387022253.db2.gz ZSTMHSLQLHAKDD-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228163290 387137912 /nfs/dbraw/zinc/13/79/12/387137912.db2.gz JGKDJGZAOOPACP-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191201022 387354331 /nfs/dbraw/zinc/35/43/31/387354331.db2.gz DRKDRVXXIUCKCJ-NXEZZACHSA-N 1 0 238.287 2.280 20 5 BEBDRO C[C@H]([NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176683 388191668 /nfs/dbraw/zinc/19/16/68/388191668.db2.gz SAQAFMNVVVEYOV-QMMMGPOBSA-N 1 0 206.245 2.408 20 5 BEBDRO CC[N@H+](C)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000302764558 388345334 /nfs/dbraw/zinc/34/53/34/388345334.db2.gz LDYNGKSSNYKPHX-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO CC[N@H+](C)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000302764551 388345362 /nfs/dbraw/zinc/34/53/62/388345362.db2.gz LDYNGKSSNYKPHX-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO CS[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122216330 388368055 /nfs/dbraw/zinc/36/80/55/388368055.db2.gz NDGUADDBWFLAPS-SECBINFHSA-N 1 0 240.328 2.436 20 5 BEBDRO C[C@H]([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000271716815 388399100 /nfs/dbraw/zinc/39/91/00/388399100.db2.gz WXHZWUOUPCGNHI-QMMMGPOBSA-N 1 0 212.224 2.215 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC(F)(F)C2)c1 ZINC000277364714 388746937 /nfs/dbraw/zinc/74/69/37/388746937.db2.gz BETCIHIWVIWAKL-UHFFFAOYSA-N 1 0 242.225 2.482 20 5 BEBDRO CSC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000124991794 388763988 /nfs/dbraw/zinc/76/39/88/388763988.db2.gz SLVLSGGJUMKSGO-SECBINFHSA-N 1 0 240.328 2.436 20 5 BEBDRO Cc1ccc(O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701630 1172694028 /nfs/dbraw/zinc/69/40/28/1172694028.db2.gz PIEVXWOZOJHPHN-LLVKDONJSA-N 1 0 236.271 2.034 20 5 BEBDRO CC[NH2+]CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000233518955 133668853 /nfs/dbraw/zinc/66/88/53/133668853.db2.gz OLPIOAIDMHONIJ-UHFFFAOYSA-N 1 0 243.694 2.270 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@H]1CC[NH2+]C1 ZINC000158939498 134755378 /nfs/dbraw/zinc/75/53/78/134755378.db2.gz DRHRVFMFLROQOO-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1cccc(N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000261551484 135190591 /nfs/dbraw/zinc/19/05/91/135190591.db2.gz VQLXJRSNSVFSBI-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cc(NCC(C)(C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261554230 135193732 /nfs/dbraw/zinc/19/37/32/135193732.db2.gz OQUFGHIUTJGNGD-UHFFFAOYSA-N 1 0 241.266 2.192 20 5 BEBDRO Cc1ccc(N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000261560503 135201286 /nfs/dbraw/zinc/20/12/86/135201286.db2.gz AAIHONAKFLZTAS-BDAKNGLRSA-N 1 0 223.276 2.051 20 5 BEBDRO Cc1ccc(N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000261560509 135201414 /nfs/dbraw/zinc/20/14/14/135201414.db2.gz AAIHONAKFLZTAS-DTWKUNHWSA-N 1 0 223.276 2.051 20 5 BEBDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000261581757 135222153 /nfs/dbraw/zinc/22/21/53/135222153.db2.gz NWWSACCTYYGVRO-RQJHMYQMSA-N 1 0 243.694 2.396 20 5 BEBDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000261581756 135222678 /nfs/dbraw/zinc/22/26/78/135222678.db2.gz NWWSACCTYYGVRO-RNFRBKRXSA-N 1 0 243.694 2.396 20 5 BEBDRO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000261582093 135223277 /nfs/dbraw/zinc/22/32/77/135223277.db2.gz OCKVFZSBPSUHPU-IUCAKERBSA-N 1 0 223.276 2.051 20 5 BEBDRO Cc1cc(N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000261582092 135223520 /nfs/dbraw/zinc/22/35/20/135223520.db2.gz OCKVFZSBPSUHPU-DTWKUNHWSA-N 1 0 223.276 2.051 20 5 BEBDRO Cc1c[nH]c(Nc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001650854145 1172904910 /nfs/dbraw/zinc/90/49/10/1172904910.db2.gz XIXGZLWDSIDNDY-UHFFFAOYSA-N 1 0 218.216 2.370 20 5 BEBDRO CC(C)OCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015728 167241482 /nfs/dbraw/zinc/24/14/82/167241482.db2.gz JPOBXCVQRUEGQM-UHFFFAOYSA-N 1 0 238.287 2.109 20 5 BEBDRO CC1(CNc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129443336 168047697 /nfs/dbraw/zinc/04/76/97/168047697.db2.gz PPNMZSITDNHCMZ-UHFFFAOYSA-N 1 0 249.314 2.396 20 5 BEBDRO CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000038132185 170139780 /nfs/dbraw/zinc/13/97/80/170139780.db2.gz VBABGGKECAYRBD-VIFPVBQESA-N 1 0 208.261 2.135 20 5 BEBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000044563076 173009728 /nfs/dbraw/zinc/00/97/28/173009728.db2.gz FMIFRSSJOYPLNX-ZDUSSCGKSA-N 1 0 249.314 2.491 20 5 BEBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1F ZINC000269955364 173319409 /nfs/dbraw/zinc/31/94/09/173319409.db2.gz KFCWSTZVWDBVMK-UHFFFAOYSA-N 1 0 241.266 2.144 20 5 BEBDRO C[NH2+]C(C)(C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000271716017 173319769 /nfs/dbraw/zinc/31/97/69/173319769.db2.gz IKLGGZCLLHMHKZ-UHFFFAOYSA-N 1 0 237.303 2.313 20 5 BEBDRO COCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020143005 174249752 /nfs/dbraw/zinc/24/97/52/174249752.db2.gz KTUPUIDGERMIIM-JTQLQIEISA-N 1 0 238.287 2.282 20 5 BEBDRO COCC[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000082367511 174384620 /nfs/dbraw/zinc/38/46/20/174384620.db2.gz JUUZHMMVHPOLRG-MRVPVSSYSA-N 1 0 244.316 2.171 20 5 BEBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293405620 176308219 /nfs/dbraw/zinc/30/82/19/176308219.db2.gz MAGCNCLIQVJUFS-NXEZZACHSA-N 1 0 220.272 2.435 20 5 BEBDRO C[C@H]1C[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000124736042 177344960 /nfs/dbraw/zinc/34/49/60/177344960.db2.gz YEEBQPNXAPFSBL-CMPLNLGQSA-N 1 0 234.299 2.383 20 5 BEBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136337018 177345687 /nfs/dbraw/zinc/34/56/87/177345687.db2.gz SAWVAPKGXLSWMW-GXSJLCMTSA-N 1 0 220.272 2.340 20 5 BEBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000136336837 177345926 /nfs/dbraw/zinc/34/59/26/177345926.db2.gz RDBPKBUCUDQPJN-GXSJLCMTSA-N 1 0 220.272 2.340 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1=CCOCC1 ZINC000397778431 323095909 /nfs/dbraw/zinc/09/59/09/323095909.db2.gz USTBSQRMKYHCNC-UHFFFAOYSA-N 1 0 248.282 2.031 20 5 BEBDRO Cc1cc(NC[C@H]2CCN2C)c([N+](=O)[O-])s1 ZINC000895769095 583723776 /nfs/dbraw/zinc/72/37/76/583723776.db2.gz OAOMGKWJDWXNEO-MRVPVSSYSA-N 1 0 241.316 2.081 20 5 BEBDRO Cc1ccc(CCC[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000899861749 584242908 /nfs/dbraw/zinc/24/29/08/584242908.db2.gz XLFLWTCDNMGPGY-UHFFFAOYSA-N 1 0 236.315 2.102 20 5 BEBDRO Cc1cc(C)c(CC[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000899870126 584244747 /nfs/dbraw/zinc/24/47/47/584244747.db2.gz DYJMDZIQRYNKRJ-UHFFFAOYSA-N 1 0 236.315 2.021 20 5 BEBDRO C[C@H]1C[NH+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886028611 585036354 /nfs/dbraw/zinc/03/63/54/585036354.db2.gz TZHVIKXRKZQRDQ-UWVGGRQHSA-N 1 0 235.287 2.078 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000791054807 585972996 /nfs/dbraw/zinc/97/29/96/585972996.db2.gz YIGINLFOUHYFFR-SECBINFHSA-N 1 0 226.301 2.162 20 5 BEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC1 ZINC000866213813 589480910 /nfs/dbraw/zinc/48/09/10/589480910.db2.gz ZIPCQODCAFWOFF-MRVPVSSYSA-N 1 0 238.262 2.417 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C(C)(C)C2)c1 ZINC000212778616 591427158 /nfs/dbraw/zinc/42/71/58/591427158.db2.gz HSPNHAXBQRHDMZ-UHFFFAOYSA-N 1 0 249.314 2.091 20 5 BEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000882961750 591486505 /nfs/dbraw/zinc/48/65/05/591486505.db2.gz WSHNCDLXKBIJSH-QMMMGPOBSA-N 1 0 241.316 2.162 20 5 BEBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885943751 592111427 /nfs/dbraw/zinc/11/14/27/592111427.db2.gz BRBINZUIIFUFON-GHMZBOCLSA-N 1 0 249.314 2.468 20 5 BEBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885943019 592111544 /nfs/dbraw/zinc/11/15/44/592111544.db2.gz WBNUTQGPLUJSEM-SNVBAGLBSA-N 1 0 237.303 2.466 20 5 BEBDRO CC(C)[C@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885943018 592112298 /nfs/dbraw/zinc/11/22/98/592112298.db2.gz WBNUTQGPLUJSEM-JTQLQIEISA-N 1 0 237.303 2.466 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCCCCC1 ZINC000885946308 592112601 /nfs/dbraw/zinc/11/26/01/592112601.db2.gz HNHWWIJVHUNNIR-UHFFFAOYSA-N 1 0 235.287 2.366 20 5 BEBDRO C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885944462 592113180 /nfs/dbraw/zinc/11/31/80/592113180.db2.gz QNESGQZFXVMOCO-JTQLQIEISA-N 1 0 235.287 2.222 20 5 BEBDRO CC(C)CC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885960222 592116140 /nfs/dbraw/zinc/11/61/40/592116140.db2.gz IDSDWZGKKLUHKC-UHFFFAOYSA-N 1 0 237.303 2.468 20 5 BEBDRO CCC[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000885967827 592117563 /nfs/dbraw/zinc/11/75/63/592117563.db2.gz ZDYAPNDRLLMMBS-UHFFFAOYSA-N 1 0 223.276 2.222 20 5 BEBDRO CC(C)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038280 592138074 /nfs/dbraw/zinc/13/80/74/592138074.db2.gz SLXPVVFBNYAFMU-NSHDSACASA-N 1 0 249.314 2.468 20 5 BEBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886039286 592138792 /nfs/dbraw/zinc/13/87/92/592138792.db2.gz JMGRLWIWIOLVLQ-AOOOYVTPSA-N 1 0 235.287 2.363 20 5 BEBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886098421 592147385 /nfs/dbraw/zinc/14/73/85/592147385.db2.gz MBZULQFLHIAVDM-GHMZBOCLSA-N 1 0 249.314 2.468 20 5 BEBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886169834 592168592 /nfs/dbraw/zinc/16/85/92/592168592.db2.gz JPBIENYNCAIGIQ-MWLCHTKSSA-N 1 0 235.287 2.268 20 5 BEBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886280418 592198450 /nfs/dbraw/zinc/19/84/50/592198450.db2.gz DQUWHKPCXAUKJK-NSHDSACASA-N 1 0 235.287 2.268 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)s1 ZINC000308638506 631452665 /nfs/dbraw/zinc/45/26/65/631452665.db2.gz DDIHIFIFNDBFDO-ZCFIWIBFSA-N 1 0 234.708 2.329 20 5 BEBDRO Cc1[nH]c2ccc(C[NH2+]CC[N+](=O)[O-])cc2c1C ZINC000905061531 637596669 /nfs/dbraw/zinc/59/66/69/637596669.db2.gz RWRYRDOWXFLZPP-UHFFFAOYSA-N 1 0 247.298 2.151 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCCc1cccc(Cl)c1 ZINC000905071062 637604588 /nfs/dbraw/zinc/60/45/88/637604588.db2.gz MYYZISJRAMPEPX-UHFFFAOYSA-N 1 0 242.706 2.139 20 5 BEBDRO C[C@H]1CCC[C@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905121217 637627700 /nfs/dbraw/zinc/62/77/00/637627700.db2.gz BCRUFOWQXKHUDO-WDEREUQCSA-N 1 0 214.309 2.069 20 5 BEBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905123150 637629791 /nfs/dbraw/zinc/62/97/91/637629791.db2.gz IOLLJLFVGHVOLS-UHFFFAOYSA-N 1 0 236.315 2.122 20 5 BEBDRO CC(C)(C)CCCC[NH2+]CC[N+](=O)[O-] ZINC000905095390 637633458 /nfs/dbraw/zinc/63/34/58/637633458.db2.gz UHZXNMONIMSVNX-UHFFFAOYSA-N 1 0 202.298 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000905260138 637715387 /nfs/dbraw/zinc/71/53/87/637715387.db2.gz BAVJRBOICMXHRZ-CYBMUJFWSA-N 1 0 234.299 2.047 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000905260139 637716054 /nfs/dbraw/zinc/71/60/54/637716054.db2.gz BAVJRBOICMXHRZ-ZDUSSCGKSA-N 1 0 234.299 2.047 20 5 BEBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905380837 637782534 /nfs/dbraw/zinc/78/25/34/637782534.db2.gz LCGIWIUELRGXBH-JTQLQIEISA-N 1 0 214.309 2.069 20 5 BEBDRO CC1(C)C[C@]1(C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905386202 637785872 /nfs/dbraw/zinc/78/58/72/637785872.db2.gz OOECPOKOEDOSFE-AWEZNQCLSA-N 1 0 248.326 2.221 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000930238215 639645960 /nfs/dbraw/zinc/64/59/60/639645960.db2.gz CPCVDCUXYCKBJU-GFCCVEGCSA-N 1 0 220.272 2.004 20 5 BEBDRO CSc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930318837 639701061 /nfs/dbraw/zinc/70/10/61/639701061.db2.gz WQAQKMUZICBMCI-SECBINFHSA-N 1 0 240.328 2.336 20 5 BEBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1F ZINC000930969323 640004455 /nfs/dbraw/zinc/00/44/55/640004455.db2.gz QZOUWQABLLZYPX-GFCCVEGCSA-N 1 0 240.278 2.389 20 5 BEBDRO CC1(C)C[C@@]1([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000931078982 640062357 /nfs/dbraw/zinc/06/23/57/640062357.db2.gz HSDXVWYTKMXLKB-CYBMUJFWSA-N 1 0 234.299 2.178 20 5 BEBDRO C[C@]1(c2ccccc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000931693658 640321029 /nfs/dbraw/zinc/32/10/29/640321029.db2.gz DXRNLWXRLRFPDN-CYBMUJFWSA-N 1 0 234.299 2.274 20 5 BEBDRO Cc1cccc(C)c1C[N@H+](C)CC[N+](=O)[O-] ZINC000933763159 640764748 /nfs/dbraw/zinc/76/47/48/640764748.db2.gz ROIMTDJLHUIFQH-UHFFFAOYSA-N 1 0 222.288 2.012 20 5 BEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000044502823 641605753 /nfs/dbraw/zinc/60/57/53/641605753.db2.gz SLUZPWGGNOGATM-JTQLQIEISA-N 1 0 235.287 2.006 20 5 BEBDRO O=[N+]([O-])CC[N@H+](C1CC1)C1CCCCC1 ZINC000929271801 643884312 /nfs/dbraw/zinc/88/43/12/643884312.db2.gz RLBKCNPMCIUZRN-UHFFFAOYSA-N 1 0 212.293 2.060 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(C2CC2)CCC1 ZINC000887148548 645894770 /nfs/dbraw/zinc/89/47/70/645894770.db2.gz ITVGLGIBXIIEAR-UHFFFAOYSA-N 1 0 247.298 2.412 20 5 BEBDRO CCC(CC)C[N@H+](CC)CC[N+](=O)[O-] ZINC000929261846 646045094 /nfs/dbraw/zinc/04/50/94/646045094.db2.gz PGOBUPTUKCXXQX-UHFFFAOYSA-N 1 0 202.298 2.021 20 5 BEBDRO C[N@H+](CCC1CCCCC1)CC[N+](=O)[O-] ZINC000929470485 646130050 /nfs/dbraw/zinc/13/00/50/646130050.db2.gz WRPROWNZRMRVQI-UHFFFAOYSA-N 1 0 214.309 2.165 20 5 BEBDRO CC(C)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930029313 646400715 /nfs/dbraw/zinc/40/07/15/646400715.db2.gz OBGLWODBWUZSPB-LLVKDONJSA-N 1 0 214.309 2.164 20 5 BEBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(C)cc1 ZINC000930181653 646482695 /nfs/dbraw/zinc/48/26/95/646482695.db2.gz ABJUZAPCMDLVDT-GFCCVEGCSA-N 1 0 222.288 2.312 20 5 BEBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930189764 646483967 /nfs/dbraw/zinc/48/39/67/646483967.db2.gz YIQMUTWXRZNALD-NSHDSACASA-N 1 0 208.261 2.004 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000930187042 646484306 /nfs/dbraw/zinc/48/43/06/646484306.db2.gz BLAGLASQVPFYGH-JTQLQIEISA-N 1 0 226.301 2.066 20 5 BEBDRO CCC[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791054344 712422362 /nfs/dbraw/zinc/42/23/62/712422362.db2.gz TUHUZDWKTMEFRK-UHFFFAOYSA-N 1 0 222.288 2.175 20 5 BEBDRO Cc1cccc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000712603157 712436897 /nfs/dbraw/zinc/43/68/97/712436897.db2.gz FHMGFSVAEBUSTL-JTQLQIEISA-N 1 0 235.287 2.019 20 5 BEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000712606677 712437347 /nfs/dbraw/zinc/43/73/47/712437347.db2.gz NPOXZIQANOULMO-LBPRGKRZSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C)c1 ZINC000712610273 712437657 /nfs/dbraw/zinc/43/76/57/712437657.db2.gz YKNCYUPHWULORJ-SNVBAGLBSA-N 1 0 235.287 2.019 20 5 BEBDRO C[C@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719578064 712812062 /nfs/dbraw/zinc/81/20/62/712812062.db2.gz MHPBAROIEDIXPB-VHSXEESVSA-N 1 0 235.287 2.099 20 5 BEBDRO C[C@@H]1[C@H](Nc2ccsc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719597359 712813150 /nfs/dbraw/zinc/81/31/50/712813150.db2.gz HAVVSFKWVVALTF-HTQZYQBOSA-N 1 0 241.316 2.161 20 5 BEBDRO C[C@@H]1[C@@H](Nc2ccsc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719597369 712813532 /nfs/dbraw/zinc/81/35/32/712813532.db2.gz HAVVSFKWVVALTF-SFYZADRCSA-N 1 0 241.316 2.161 20 5 BEBDRO COc1ccc(C[NH2+]C2(C)CC2)cc1[N+](=O)[O-] ZINC000134786594 1165783333 /nfs/dbraw/zinc/78/33/33/1165783333.db2.gz ZTHRGHSGQHNAEU-UHFFFAOYSA-N 1 0 236.271 2.246 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H](F)C2)C1 ZINC001169012337 969340253 /nfs/dbraw/zinc/34/02/53/969340253.db2.gz PETSIEIHKMXWOG-GRYCIOLGSA-N 1 0 244.310 2.256 20 5 BEBDRO CC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168000581 1167135384 /nfs/dbraw/zinc/13/53/84/1167135384.db2.gz QMWQOJOBHXCMHF-MRVPVSSYSA-N 1 0 235.287 2.408 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)sn1 ZINC001227373785 975376213 /nfs/dbraw/zinc/37/62/13/975376213.db2.gz IPWCBLMNGPSTOQ-ZETCQYMHSA-N 1 0 235.760 2.270 20 5 BEBDRO CC[C@@](C)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001333174800 975524292 /nfs/dbraw/zinc/52/42/92/975524292.db2.gz MYLRAHIMRJWEJJ-GFCCVEGCSA-N 1 0 222.288 2.178 20 5 BEBDRO C[C@@H](O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001335317326 976954959 /nfs/dbraw/zinc/95/49/59/976954959.db2.gz BNZJVLFTQMACJT-OPRDCNLKSA-N 1 0 238.287 2.015 20 5 BEBDRO CCCCOC[C@H](C)OCCC[N+](C)(C)C ZINC001224623813 973808289 /nfs/dbraw/zinc/80/82/89/973808289.db2.gz RBFJYTLIQWFZLC-ZDUSSCGKSA-N 1 0 232.388 2.305 20 5 BEBDRO Cn1c[nH+]cc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216481486 971094732 /nfs/dbraw/zinc/09/47/32/971094732.db2.gz NJSOELQUTZSUEG-UHFFFAOYSA-N 1 0 236.206 2.211 20 5 BEBDRO CC(C)C(OCC[N+](C)(C)C)C(C)C ZINC001224773219 973936963 /nfs/dbraw/zinc/93/69/63/973936963.db2.gz GHJHNCKBLXKOJK-UHFFFAOYSA-N 1 0 202.362 2.390 20 5 BEBDRO C[C@H](OCC[N+](C)(C)C)c1ncccc1F ZINC001224776294 973941947 /nfs/dbraw/zinc/94/19/47/973941947.db2.gz UPTBURWVPWZBGW-JTQLQIEISA-N 1 0 227.303 2.005 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1F ZINC001225199857 974219142 /nfs/dbraw/zinc/21/91/42/974219142.db2.gz AZXIQQAQORCUDH-SNVBAGLBSA-N 1 0 212.288 2.299 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ccncc21 ZINC001226566126 963255068 /nfs/dbraw/zinc/25/50/68/963255068.db2.gz KMTNJAWRAZNKJP-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1[N+](=O)[O-] ZINC001227484076 963530324 /nfs/dbraw/zinc/53/03/24/963530324.db2.gz HMJHBADYVLRCGR-SNVBAGLBSA-N 1 0 239.295 2.068 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CSC2)cc1 ZINC000697942699 964751094 /nfs/dbraw/zinc/75/10/94/964751094.db2.gz VBPRRPOQRPKTKF-UHFFFAOYSA-N 1 0 238.312 2.047 20 5 BEBDRO CC1(C)CC(=O)CC[C@H]1OCCC[N+](C)(C)C ZINC001224622971 964809244 /nfs/dbraw/zinc/80/92/44/964809244.db2.gz JMRHNZUZZUZZKF-CYBMUJFWSA-N 1 0 242.383 2.247 20 5 BEBDRO C[N+](C)(C)CCO[C@H]1CCC(=O)c2ccccc21 ZINC001224771855 964935734 /nfs/dbraw/zinc/93/57/34/964935734.db2.gz SWQXXMRQDJUMIF-HNNXBMFYSA-N 1 0 248.346 2.427 20 5 BEBDRO Cc1c[nH+]ccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204407795 966989887 /nfs/dbraw/zinc/98/98/87/966989887.db2.gz RKVDNMPGWSPTDW-UHFFFAOYSA-N 1 0 229.239 2.464 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCCOc1ccccc1 ZINC001204964980 967266950 /nfs/dbraw/zinc/26/69/50/967266950.db2.gz SJQIOPFFXALWMN-CYBMUJFWSA-N 1 0 238.351 2.177 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCCc1ccc(O)cc1 ZINC001206724537 968444953 /nfs/dbraw/zinc/44/49/53/968444953.db2.gz GUBHPENOBPKWJA-LBPRGKRZSA-O 1 0 238.351 2.046 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CCC2)C1 ZINC001168979168 969298085 /nfs/dbraw/zinc/29/80/85/969298085.db2.gz WRIUSSRLOIXLJE-VXGBXAGGSA-N 1 0 226.320 2.212 20 5 BEBDRO Cc1occc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978232 969298647 /nfs/dbraw/zinc/29/86/47/969298647.db2.gz QCEMVARNXCWFHU-ZYHUDNBSSA-N 1 0 238.287 2.123 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccoc1 ZINC001168985571 969301897 /nfs/dbraw/zinc/30/18/97/969301897.db2.gz SZXSQIMLOWBHKQ-NHCYSSNCSA-N 1 0 238.287 2.376 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001168955869 969304023 /nfs/dbraw/zinc/30/40/23/969304023.db2.gz CVHQQAAAROQBGY-STQMWFEESA-N 1 0 234.299 2.222 20 5 BEBDRO CC(C)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956854 969308219 /nfs/dbraw/zinc/30/82/19/969308219.db2.gz GCPGCTJKPISLOB-WDEREUQCSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001168958813 969309277 /nfs/dbraw/zinc/30/92/77/969309277.db2.gz PZHBWHDRRBMXQT-ZIAGYGMSSA-N 1 0 248.326 2.264 20 5 BEBDRO CC(C)(C)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959591 969309568 /nfs/dbraw/zinc/30/95/68/969309568.db2.gz XFPLDUBQGKAIAB-MNOVXSKESA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168959959 969310523 /nfs/dbraw/zinc/31/05/23/969310523.db2.gz YHMHNBIGJWDDJB-GMXVVIOVSA-N 1 0 249.314 2.178 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC001168963816 969315715 /nfs/dbraw/zinc/31/57/15/969315715.db2.gz QCOXUYHBUNWUQP-UTLUCORTSA-N 1 0 248.273 2.209 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168964947 969318567 /nfs/dbraw/zinc/31/85/67/969318567.db2.gz WSABIYVPVHMZHB-SRVKXCTJSA-N 1 0 249.314 2.178 20 5 BEBDRO [NH3+]Cc1cccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168967665 969320776 /nfs/dbraw/zinc/32/07/76/969320776.db2.gz SHMDVKNCOLFWQS-AAEUAGOBSA-N 1 0 249.314 2.003 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168968105 969320959 /nfs/dbraw/zinc/32/09/59/969320959.db2.gz WBGOLFWVNJPRCL-AXFHLTTASA-N 1 0 228.336 2.456 20 5 BEBDRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968915 969321162 /nfs/dbraw/zinc/32/11/62/969321162.db2.gz BHUBUZKCTQKMGT-SRVKXCTJSA-N 1 0 228.336 2.456 20 5 BEBDRO [NH3+]Cc1cccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168967666 969321278 /nfs/dbraw/zinc/32/12/78/969321278.db2.gz SHMDVKNCOLFWQS-DGCLKSJQSA-N 1 0 249.314 2.003 20 5 BEBDRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968913 969322024 /nfs/dbraw/zinc/32/20/24/969322024.db2.gz BHUBUZKCTQKMGT-QJPTWQEYSA-N 1 0 228.336 2.456 20 5 BEBDRO CC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006244 969330070 /nfs/dbraw/zinc/33/00/70/969330070.db2.gz GJHIELDUPUFQHG-RYUDHWBXSA-N 1 0 226.320 2.164 20 5 BEBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004944 969330333 /nfs/dbraw/zinc/33/03/33/969330333.db2.gz SKPMNPMGXYTBSF-OBPIAQAESA-N 1 0 240.347 2.456 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC23CC3)C1 ZINC001169005677 969331413 /nfs/dbraw/zinc/33/14/13/969331413.db2.gz CDVMNGRAXLJDNX-GHMZBOCLSA-N 1 0 224.304 2.060 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[C@@H]3C2)C1 ZINC001169007442 969333937 /nfs/dbraw/zinc/33/39/37/969333937.db2.gz NUHZLCKZWHHVKS-LPWJVIDDSA-N 1 0 238.331 2.164 20 5 BEBDRO CCC[N@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009784 969335882 /nfs/dbraw/zinc/33/58/82/969335882.db2.gz YEDKAMHUDXRYAD-WDEREUQCSA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169010590 969339534 /nfs/dbraw/zinc/33/95/34/969339534.db2.gz DWLUHJMSQRWGGL-DDHJBXDOSA-N 1 0 244.310 2.112 20 5 BEBDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014039 969340903 /nfs/dbraw/zinc/34/09/03/969340903.db2.gz YHRSSPOBIUKNCZ-QCNOEVLYSA-N 1 0 244.310 2.112 20 5 BEBDRO C[N@H+](CC1CCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037515 969355339 /nfs/dbraw/zinc/35/53/39/969355339.db2.gz SAGGHOYXWCOSCE-VXGBXAGGSA-N 1 0 226.320 2.164 20 5 BEBDRO CC1(C)[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169038483 969356543 /nfs/dbraw/zinc/35/65/43/969356543.db2.gz ZCJAYPDREYQOCN-KKOKHZNYSA-N 1 0 238.331 2.020 20 5 BEBDRO CC[C@H](C)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169019832 969361867 /nfs/dbraw/zinc/36/18/67/969361867.db2.gz JVDSKROXNDDULC-AXFHLTTASA-N 1 0 214.309 2.162 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169231940 969505962 /nfs/dbraw/zinc/50/59/62/969505962.db2.gz WXJFBMCDLXRWKH-SECBINFHSA-N 1 0 246.270 2.109 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC001254550609 969737080 /nfs/dbraw/zinc/73/70/80/969737080.db2.gz NDDZIRSGORAUHR-NSHDSACASA-N 1 0 234.299 2.478 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CCC1)C2 ZINC001254565625 969739651 /nfs/dbraw/zinc/73/96/51/969739651.db2.gz DYTPDAOCLHMGGE-CYBMUJFWSA-N 1 0 246.310 2.452 20 5 BEBDRO CC1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254566347 969740557 /nfs/dbraw/zinc/74/05/57/969740557.db2.gz JOKGESHWZUFYNZ-GFCCVEGCSA-N 1 0 246.310 2.452 20 5 BEBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc(C[NH3+])c1 ZINC001169727374 969827255 /nfs/dbraw/zinc/82/72/55/969827255.db2.gz ZCZRXQRUXCHUPS-UHFFFAOYSA-N 1 0 249.245 2.292 20 5 BEBDRO O=[N+]([O-])c1cc(Nc2cc[nH+]cc2)ccc1F ZINC001211189038 970170558 /nfs/dbraw/zinc/17/05/58/970170558.db2.gz PCVWKBWLAVAEFD-UHFFFAOYSA-N 1 0 233.202 2.294 20 5 BEBDRO Cc1ccc(Nc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC001214167274 970449711 /nfs/dbraw/zinc/44/97/11/970449711.db2.gz DFNFNWHZKVGHBT-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO C[C@H](C[N+](C)(C)C)O[C@H]1Cc2ccccc21 ZINC001224072289 973445031 /nfs/dbraw/zinc/44/50/31/973445031.db2.gz VOBOPUWCYRJVDB-RISCZKNCSA-N 1 0 220.336 2.395 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224619175 973802212 /nfs/dbraw/zinc/80/22/12/973802212.db2.gz MTNKLAMLZIONIY-MRVPVSSYSA-N 1 0 214.251 2.050 20 5 BEBDRO COC1=CC[C@H](OCCC[N+](C)(C)C)CC1 ZINC001224621035 973802708 /nfs/dbraw/zinc/80/27/08/973802708.db2.gz IUDQIAKRZSBJJE-ZDUSSCGKSA-N 1 0 228.356 2.182 20 5 BEBDRO C[N+](C)(C)CCO[C@H]1CCCc2cccnc21 ZINC001224771411 973935976 /nfs/dbraw/zinc/93/59/76/973935976.db2.gz LZWVOJXQXDCMLV-ZDUSSCGKSA-N 1 0 235.351 2.182 20 5 BEBDRO C[C@@H](OCC[N+](C)(C)C)C1CCCC1 ZINC001224772566 973936330 /nfs/dbraw/zinc/93/63/30/973936330.db2.gz AJLVKVKYOVOIPI-LLVKDONJSA-N 1 0 200.346 2.288 20 5 BEBDRO CC(=O)[C@@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224775557 973941697 /nfs/dbraw/zinc/94/16/97/973941697.db2.gz MMVBJNRQDIQCGA-CQSZACIVSA-N 1 0 236.335 2.040 20 5 BEBDRO C[C@H]1CC[C@H](OCC[N+](C)(C)C)CC1 ZINC001224775770 973942474 /nfs/dbraw/zinc/94/24/74/973942474.db2.gz OMGFLORWAPCZHF-HAQNSBGRSA-N 1 0 200.346 2.288 20 5 BEBDRO Cc1ccc([C@@H](C)OCC[N+](C)(C)C)cn1 ZINC001224776790 973943940 /nfs/dbraw/zinc/94/39/40/973943940.db2.gz ZXTYYYGQYKIRHD-GFCCVEGCSA-N 1 0 223.340 2.174 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCCc1cccs1 ZINC001224785586 973956079 /nfs/dbraw/zinc/95/60/79/973956079.db2.gz JLGDCANYDPWDHM-LLVKDONJSA-N 1 0 228.381 2.402 20 5 BEBDRO CC1(C)C[NH+](CC[N+](=O)[O-])CC(C)(C)C1 ZINC001332905805 1169970807 /nfs/dbraw/zinc/97/08/07/1169970807.db2.gz MXLNAXJASYFOQA-UHFFFAOYSA-N 1 0 214.309 2.021 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cccc1F ZINC001225208497 974230393 /nfs/dbraw/zinc/23/03/93/974230393.db2.gz YIQKPGYUYYUEAE-VIFPVBQESA-N 1 0 230.278 2.438 20 5 BEBDRO Cc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225241973 974299957 /nfs/dbraw/zinc/29/99/57/974299957.db2.gz NRWFNHAIWOHMPN-LBPRGKRZSA-N 1 0 208.325 2.469 20 5 BEBDRO COc1cc(F)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225348176 974427955 /nfs/dbraw/zinc/42/79/55/974427955.db2.gz SRJLGGBVLARRRR-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@H](C[NH+](C)C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225381521 974457160 /nfs/dbraw/zinc/45/71/60/974457160.db2.gz HLEAUWWZVLBWEJ-MRVPVSSYSA-N 1 0 242.250 2.063 20 5 BEBDRO CCc1ncccc1O[C@H](C)C[N+](C)(C)C ZINC001225455433 974503492 /nfs/dbraw/zinc/50/34/92/974503492.db2.gz FKUITIWACRYYTR-LLVKDONJSA-N 1 0 223.340 2.118 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2[nH]cnc21 ZINC001225484187 974522379 /nfs/dbraw/zinc/52/23/79/974522379.db2.gz BUHXFSHCTNJEBK-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2[nH]cnc21 ZINC001225484190 974522759 /nfs/dbraw/zinc/52/27/59/974522759.db2.gz BUHXFSHCTNJEBK-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cccc1F ZINC001225799106 974686827 /nfs/dbraw/zinc/68/68/27/974686827.db2.gz VEPBZSIOSGHCLP-SECBINFHSA-O 1 0 228.287 2.005 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1F ZINC001173218961 975072192 /nfs/dbraw/zinc/07/21/92/975072192.db2.gz USULRDLWNZPVIV-XXILOJSOSA-N 1 0 238.262 2.226 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC1 ZINC001173224386 975072717 /nfs/dbraw/zinc/07/27/17/975072717.db2.gz FHSBRXXCIZMODG-JTQLQIEISA-N 1 0 220.272 2.232 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC=CC1 ZINC001173229211 975075360 /nfs/dbraw/zinc/07/53/60/975075360.db2.gz RPLFQPXKHGRBFM-NSHDSACASA-N 1 0 232.283 2.398 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1O[C@@H](C)C[NH+](C)C ZINC001226968633 975194814 /nfs/dbraw/zinc/19/48/14/975194814.db2.gz HIDWLDGSOUFGAH-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227481386 975462441 /nfs/dbraw/zinc/46/24/41/975462441.db2.gz VCIVVHKTGOBNKE-SNVBAGLBSA-N 1 0 236.271 2.068 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001333438766 975774901 /nfs/dbraw/zinc/77/49/01/975774901.db2.gz DKMFPMJQDIFQRG-KBPBESRZSA-N 1 0 248.326 2.264 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Cl)n1 ZINC001227927920 975800301 /nfs/dbraw/zinc/80/03/01/975800301.db2.gz NEKGVLRIZKUNDC-SECBINFHSA-N 1 0 229.731 2.209 20 5 BEBDRO Cc1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001228067926 975888898 /nfs/dbraw/zinc/88/88/98/975888898.db2.gz CPMKKXWZHBQHNQ-NSHDSACASA-O 1 0 224.324 2.174 20 5 BEBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)nc1C ZINC001228300739 976083930 /nfs/dbraw/zinc/08/39/30/976083930.db2.gz XSWIIVDYQFQWIE-NSHDSACASA-N 1 0 223.340 2.172 20 5 BEBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cnc1F ZINC001228582229 976348113 /nfs/dbraw/zinc/34/81/13/976348113.db2.gz GTZHBEJNDDIJEZ-JTQLQIEISA-N 1 0 227.303 2.003 20 5 BEBDRO COc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228791173 976500179 /nfs/dbraw/zinc/50/01/79/976500179.db2.gz NZRFRTGMMHXDLG-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2cccnc21 ZINC001228805573 976500269 /nfs/dbraw/zinc/50/02/69/976500269.db2.gz HTIMBZLKQILHQA-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H](C)C[NH+](C)C ZINC001228916707 976578773 /nfs/dbraw/zinc/57/87/73/976578773.db2.gz YVJUVLWFOBWIKW-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO Cn1cc[nH+]c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475286 976792356 /nfs/dbraw/zinc/79/23/56/976792356.db2.gz FQHTZPPTKILTOR-UHFFFAOYSA-N 1 0 218.216 2.072 20 5 BEBDRO COCc1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001229255660 976809598 /nfs/dbraw/zinc/80/95/98/976809598.db2.gz ILFCWIHWHAXYOT-LBPRGKRZSA-N 1 0 238.351 2.307 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC001335471014 977078031 /nfs/dbraw/zinc/07/80/31/977078031.db2.gz XCPKAMAPOIEJSH-YYJSSNLHSA-N 1 0 226.320 2.068 20 5 BEBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(F)n1 ZINC001230708148 977297271 /nfs/dbraw/zinc/29/72/71/977297271.db2.gz WLIUIHLFUITCJA-SNVBAGLBSA-N 1 0 227.303 2.003 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(O)c1F ZINC001233873248 978719859 /nfs/dbraw/zinc/71/98/59/978719859.db2.gz XCEJIRUJMHJJFC-SECBINFHSA-O 1 0 228.287 2.005 20 5 BEBDRO CCc1cc(O)ccc1O[C@H](C)C[N+](C)(C)C ZINC001234106878 978777106 /nfs/dbraw/zinc/77/71/06/978777106.db2.gz QGGAUFVZIPOPKQ-LLVKDONJSA-O 1 0 238.351 2.428 20 5 BEBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001341105095 979229943 /nfs/dbraw/zinc/22/99/43/979229943.db2.gz JFZKYULJHXKDRJ-AWEZNQCLSA-N 1 0 248.326 2.360 20 5 BEBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])s1 ZINC001347854641 981198974 /nfs/dbraw/zinc/19/89/74/981198974.db2.gz CXTRBBFWTCQUTK-UHFFFAOYSA-N 1 0 229.305 2.020 20 5 BEBDRO Cc1c[nH+]ccc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199801168 983022015 /nfs/dbraw/zinc/02/20/15/983022015.db2.gz ATCSFOAOQBTEEO-UHFFFAOYSA-N 1 0 245.238 2.169 20 5 BEBDRO Cc1ccccc1[C@@H]([NH2+]CC[N+](=O)[O-])C1CC1 ZINC001354486115 983312578 /nfs/dbraw/zinc/31/25/78/983312578.db2.gz VXWFMFJJIJVDDM-ZDUSSCGKSA-N 1 0 234.299 2.312 20 5 BEBDRO CC[NH2+]C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001577821282 984803331 /nfs/dbraw/zinc/80/33/31/984803331.db2.gz GRTSARHLMYGQCR-UHFFFAOYSA-N 1 0 249.314 2.173 20 5 BEBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001119741824 989380088 /nfs/dbraw/zinc/38/00/88/989380088.db2.gz FFYHKKKUWLKIBY-ZJUUUORDSA-N 1 0 214.309 2.068 20 5 BEBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC001618778518 1170650326 /nfs/dbraw/zinc/65/03/26/1170650326.db2.gz YFMIBMCDUAIKOQ-NWDGAFQWSA-N 1 0 240.347 2.411 20 5 BEBDRO Cc1cc(NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129333679 178165388 /nfs/dbraw/zinc/16/53/88/178165388.db2.gz TXHBUVIJZXYQQY-LLVKDONJSA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CF ZINC000288389518 178271756 /nfs/dbraw/zinc/27/17/56/178271756.db2.gz GUOKQSBFNWHTIK-VIFPVBQESA-N 1 0 226.251 2.351 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[NH2+][C@@H]1C ZINC000229596651 178272437 /nfs/dbraw/zinc/27/24/37/178272437.db2.gz WHDYKLAFRZKTFC-MFKMUULPSA-N 1 0 249.314 2.456 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044503136 178272615 /nfs/dbraw/zinc/27/26/15/178272615.db2.gz CKBIIWSZPCWCHN-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+](C)C ZINC000162075588 178272620 /nfs/dbraw/zinc/27/26/20/178272620.db2.gz DJARTLUAAMRLLM-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[NH2+]1 ZINC000053255016 178273286 /nfs/dbraw/zinc/27/32/86/178273286.db2.gz ZPHGPCOOWQIOJM-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO CSCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000097221894 398259300 /nfs/dbraw/zinc/25/93/00/398259300.db2.gz DAPOVVPDOPAWIB-UHFFFAOYSA-N 1 0 240.328 2.390 20 5 BEBDRO C[C@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020083132 398304056 /nfs/dbraw/zinc/30/40/56/398304056.db2.gz QEPKZXAERBXQOO-QMMMGPOBSA-N 1 0 206.245 2.408 20 5 BEBDRO COC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087682 398304586 /nfs/dbraw/zinc/30/45/86/398304586.db2.gz CBZBNTCDUNHVCM-NXEZZACHSA-N 1 0 238.287 2.280 20 5 BEBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268090 398319673 /nfs/dbraw/zinc/31/96/73/398319673.db2.gz QRHPWWIGTIRLKX-YWVKMMECSA-N 1 0 249.314 2.484 20 5 BEBDRO CC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922263 398327058 /nfs/dbraw/zinc/32/70/58/398327058.db2.gz NQLKSZNGIZUAAF-CABZTGNLSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000351499547 136369072 /nfs/dbraw/zinc/36/90/72/136369072.db2.gz CQRLTYAGGNJIQV-WDEREUQCSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H](CC[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000049558509 343602435 /nfs/dbraw/zinc/60/24/35/343602435.db2.gz FZADTJXGOBSHID-JTQLQIEISA-N 1 0 237.303 2.347 20 5 BEBDRO Cc1ccc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000038089191 343949683 /nfs/dbraw/zinc/94/96/83/343949683.db2.gz XENRNZYSGGFAMU-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044502779 345099682 /nfs/dbraw/zinc/09/96/82/345099682.db2.gz ONDJZZSZVXCMDD-SNVBAGLBSA-N 1 0 235.287 2.006 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2=CCCOC2)c1 ZINC000269263637 537892255 /nfs/dbraw/zinc/89/22/55/537892255.db2.gz CRGCXVLVXCQCOU-UHFFFAOYSA-N 1 0 248.282 2.031 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C)CC2)c1 ZINC000088698473 345543226 /nfs/dbraw/zinc/54/32/26/345543226.db2.gz WSLJXDZGTRBNLC-UHFFFAOYSA-N 1 0 249.314 2.045 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000216205631 178928696 /nfs/dbraw/zinc/92/86/96/178928696.db2.gz XFUSWMBMZJNDIR-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C2)c1 ZINC000094663258 178929302 /nfs/dbraw/zinc/92/93/02/178929302.db2.gz KQZYIXGONYDHPT-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)cc1 ZINC000039208599 346226021 /nfs/dbraw/zinc/22/60/21/346226021.db2.gz WDEBLQHHOXOFFT-UHFFFAOYSA-N 1 0 249.314 2.493 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000158950313 346537682 /nfs/dbraw/zinc/53/76/82/346537682.db2.gz NDBJNUBGMKLDLD-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc(NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000235938123 179146940 /nfs/dbraw/zinc/14/69/40/179146940.db2.gz PGGAIQSLMKDXAD-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CC3)C2)cc1 ZINC000589736691 346734601 /nfs/dbraw/zinc/73/46/01/346734601.db2.gz BFCNLXJDXPCOIW-UHFFFAOYSA-N 1 0 232.283 2.437 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[NH2+][C@H]1C ZINC000229609076 179206302 /nfs/dbraw/zinc/20/63/02/179206302.db2.gz BLAUGTNPRBFMIE-QWRGUYRKSA-N 1 0 249.314 2.456 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000594984099 348164707 /nfs/dbraw/zinc/16/47/07/348164707.db2.gz FVMHLPVWTZLHNO-CLLJXQQHSA-N 1 0 232.283 2.483 20 5 BEBDRO Cc1noc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595334762 348220487 /nfs/dbraw/zinc/22/04/87/348220487.db2.gz VVJZHRZHAMNCIC-YUMQZZPRSA-N 1 0 239.275 2.122 20 5 BEBDRO Cc1noc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595334755 348220664 /nfs/dbraw/zinc/22/06/64/348220664.db2.gz VVJZHRZHAMNCIC-HTQZYQBOSA-N 1 0 239.275 2.122 20 5 BEBDRO Cc1noc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595338129 348220759 /nfs/dbraw/zinc/22/07/59/348220759.db2.gz FLDDUYJMAIWNBU-OCAPTIKFSA-N 1 0 239.275 2.264 20 5 BEBDRO C[NH2+]C1(CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000598635036 349005446 /nfs/dbraw/zinc/00/54/46/349005446.db2.gz VCGHBNOQWFDQNA-UHFFFAOYSA-N 1 0 235.287 2.149 20 5 BEBDRO C[NH+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000309032867 349369632 /nfs/dbraw/zinc/36/96/32/349369632.db2.gz GDSAGMGKGZHECS-UHFFFAOYSA-N 1 0 229.305 2.020 20 5 BEBDRO C[NH2+]CCSCc1ccc([N+](=O)[O-])cc1F ZINC000382658104 350941698 /nfs/dbraw/zinc/94/16/98/350941698.db2.gz NAWGAQQURNFTPE-UHFFFAOYSA-N 1 0 244.291 2.187 20 5 BEBDRO C[C@@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343454558 350970276 /nfs/dbraw/zinc/97/02/76/350970276.db2.gz IOIIAXKYKKVRJN-GHMZBOCLSA-N 1 0 249.314 2.489 20 5 BEBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343569855 350976240 /nfs/dbraw/zinc/97/62/40/350976240.db2.gz YTPRUKHHKREOLF-GXFFZTMASA-N 1 0 249.314 2.489 20 5 BEBDRO CC1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044371142 188123399 /nfs/dbraw/zinc/12/33/99/188123399.db2.gz LYBZLYXRYZZJPT-LLVKDONJSA-N 1 0 220.272 2.483 20 5 BEBDRO Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000229610054 188159650 /nfs/dbraw/zinc/15/96/50/188159650.db2.gz CILWBGNCIBRXLH-CMPLNLGQSA-N 1 0 249.314 2.456 20 5 BEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000035136380 355842498 /nfs/dbraw/zinc/84/24/98/355842498.db2.gz PFZLQWMKEJLYRA-SECBINFHSA-N 1 0 220.272 2.483 20 5 BEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)C ZINC000035414755 357230836 /nfs/dbraw/zinc/23/08/36/357230836.db2.gz WJRASYQJKYTCKA-UHFFFAOYSA-N 1 0 238.287 2.492 20 5 BEBDRO Cc1c(C[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000035648576 358015578 /nfs/dbraw/zinc/01/55/78/358015578.db2.gz IEQQNXDSKPNNDJ-UHFFFAOYSA-N 1 0 208.261 2.401 20 5 BEBDRO COC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648656 358015775 /nfs/dbraw/zinc/01/57/75/358015775.db2.gz AZBQHYJGZAFYEJ-VIFPVBQESA-N 1 0 238.287 2.028 20 5 BEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090795297 363880179 /nfs/dbraw/zinc/88/01/79/363880179.db2.gz YAKKAWOLXJYMNE-JQWIXIFHSA-N 1 0 249.314 2.489 20 5 BEBDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202883 363950172 /nfs/dbraw/zinc/95/01/72/363950172.db2.gz VMEFVUIKAUQXFK-KOLCDFICSA-N 1 0 236.271 2.034 20 5 BEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000116073385 369019112 /nfs/dbraw/zinc/01/91/12/369019112.db2.gz KHJBPXHXSDVQNW-UHFFFAOYSA-N 1 0 249.314 2.125 20 5 BEBDRO COc1ccc(C[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000020013817 371217481 /nfs/dbraw/zinc/21/74/81/371217481.db2.gz JEBDYTOFMDBDJL-UHFFFAOYSA-N 1 0 238.287 2.349 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CC2)c1 ZINC000020037507 371218468 /nfs/dbraw/zinc/21/84/68/371218468.db2.gz ACPMSHXAMQLMBR-UHFFFAOYSA-N 1 0 206.245 2.094 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+](C)C ZINC000162075679 371608093 /nfs/dbraw/zinc/60/80/93/371608093.db2.gz DJARTLUAAMRLLM-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO C[NH2+]C1(CNc2ccsc2[N+](=O)[O-])CCC1 ZINC000601171263 371733511 /nfs/dbraw/zinc/73/35/11/371733511.db2.gz KESIDGBTDDOOJO-UHFFFAOYSA-N 1 0 241.316 2.210 20 5 BEBDRO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000601187918 371735287 /nfs/dbraw/zinc/73/52/87/371735287.db2.gz ZYMLQYAGCBFISZ-UHFFFAOYSA-N 1 0 249.314 2.125 20 5 BEBDRO CC[NH+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000059352978 372169945 /nfs/dbraw/zinc/16/99/45/372169945.db2.gz OKLVBCUTOFBBQS-UHFFFAOYSA-N 1 0 248.286 2.313 20 5 BEBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000111612978 182936644 /nfs/dbraw/zinc/93/66/44/182936644.db2.gz TTYOCRHATHXMIQ-LLVKDONJSA-N 1 0 249.314 2.396 20 5 BEBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1F ZINC000054267420 169260356 /nfs/dbraw/zinc/26/03/56/169260356.db2.gz ZUJNTRKKXQCANU-UHFFFAOYSA-N 1 0 241.266 2.145 20 5 BEBDRO CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293814846 169275596 /nfs/dbraw/zinc/27/55/96/169275596.db2.gz RTJQAHWKAPGWMD-QMMMGPOBSA-N 1 0 223.276 2.238 20 5 BEBDRO C[C@H]([NH2+][C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759308 383948303 /nfs/dbraw/zinc/94/83/03/383948303.db2.gz ZXXKVXIRBLJJBL-ONGXEEELSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@@H]([NH2+][C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759309 383949580 /nfs/dbraw/zinc/94/95/80/383949580.db2.gz ZXXKVXIRBLJJBL-KOLCDFICSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759306 383949614 /nfs/dbraw/zinc/94/96/14/383949614.db2.gz ZXXKVXIRBLJJBL-MWLCHTKSSA-N 1 0 236.271 2.034 20 5 BEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](F)C2)cc1 ZINC000336222731 384165572 /nfs/dbraw/zinc/16/55/72/384165572.db2.gz GABAJMALYIVIGB-JTQLQIEISA-N 1 0 224.235 2.139 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCF)cc1 ZINC000336650005 384244164 /nfs/dbraw/zinc/24/41/64/384244164.db2.gz HGRVTTPPYPWZKV-UHFFFAOYSA-N 1 0 226.251 2.434 20 5 BEBDRO C[C@H](CSc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000358783970 384341540 /nfs/dbraw/zinc/34/15/40/384341540.db2.gz IBEHIXFLEUOUPE-MRVPVSSYSA-N 1 0 241.316 2.032 20 5 BEBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000229595560 384384712 /nfs/dbraw/zinc/38/47/12/384384712.db2.gz XDXGLHHMCIKQOG-UWVGGRQHSA-N 1 0 235.287 2.147 20 5 BEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000285296558 384440853 /nfs/dbraw/zinc/44/08/53/384440853.db2.gz KUNNNKDTSIZWLY-UHFFFAOYSA-N 1 0 234.299 2.479 20 5 BEBDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122897059 384519760 /nfs/dbraw/zinc/51/97/60/384519760.db2.gz PZFJXPYCVXTCSQ-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CC1 ZINC000082382645 384676252 /nfs/dbraw/zinc/67/62/52/384676252.db2.gz AUAAJEKIWVASOH-HWKANZROSA-N 1 0 218.256 2.360 20 5 BEBDRO CO[C@@H](C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263769551 385137092 /nfs/dbraw/zinc/13/70/92/385137092.db2.gz CMEQDVIIYLFABK-JTQLQIEISA-N 1 0 238.287 2.109 20 5 BEBDRO CS[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000128149410 385262837 /nfs/dbraw/zinc/26/28/37/385262837.db2.gz WNYYQNSZQOJANB-ZETCQYMHSA-N 1 0 246.357 2.497 20 5 BEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000052093700 385658820 /nfs/dbraw/zinc/65/88/20/385658820.db2.gz DRVPBXOTWREUCZ-SSDOTTSWSA-N 1 0 241.678 2.022 20 5 BEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000397927352 385723931 /nfs/dbraw/zinc/72/39/31/385723931.db2.gz KOQSJEWPYKGGNO-UHFFFAOYSA-N 1 0 235.287 2.101 20 5 BEBDRO C[C@@H](NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000342114874 385863884 /nfs/dbraw/zinc/86/38/84/385863884.db2.gz BTONNRNFXKOZHY-SNVBAGLBSA-N 1 0 249.314 2.127 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000342213438 385874637 /nfs/dbraw/zinc/87/46/37/385874637.db2.gz NZYQVMTYISWJHO-UWVGGRQHSA-N 1 0 242.225 2.338 20 5 BEBDRO C[C@@H]([NH2+]CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293901009 386100800 /nfs/dbraw/zinc/10/08/00/386100800.db2.gz WKKHJLHYQZXTDU-MRVPVSSYSA-N 1 0 235.287 2.238 20 5 BEBDRO C[C@H]([NH2+]CCCCO)c1ccccc1[N+](=O)[O-] ZINC000235514238 386172282 /nfs/dbraw/zinc/17/22/82/386172282.db2.gz RIPIKTSVPMWNQT-JTQLQIEISA-N 1 0 238.287 2.018 20 5 BEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097934068 386666909 /nfs/dbraw/zinc/66/69/09/386666909.db2.gz YSFCJIIJDCSUFL-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000085980776 386695471 /nfs/dbraw/zinc/69/54/71/386695471.db2.gz GFADSHQUCMRXDU-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000091479437 387208190 /nfs/dbraw/zinc/20/81/90/387208190.db2.gz LGUAJRMWABHWSJ-UHFFFAOYSA-N 1 0 237.303 2.395 20 5 BEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130038542 387436103 /nfs/dbraw/zinc/43/61/03/387436103.db2.gz XQYBSTIZULXJAM-NXEZZACHSA-N 1 0 238.287 2.108 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCF)cc1 ZINC000088024563 387517564 /nfs/dbraw/zinc/51/75/64/387517564.db2.gz FQKVCLRRRYUCRS-UHFFFAOYSA-N 1 0 212.224 2.044 20 5 BEBDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176859 388191279 /nfs/dbraw/zinc/19/12/79/388191279.db2.gz LAZOFZYEWGCSSJ-NXEZZACHSA-N 1 0 238.287 2.280 20 5 BEBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000302782421 388345150 /nfs/dbraw/zinc/34/51/50/388345150.db2.gz SOTFNIMTTZKPRQ-CYBMUJFWSA-N 1 0 249.314 2.125 20 5 BEBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271823156 388406998 /nfs/dbraw/zinc/40/69/98/388406998.db2.gz NLQQYAVTCUDLQP-UHFFFAOYSA-N 1 0 247.298 2.269 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000447070172 388451211 /nfs/dbraw/zinc/45/12/11/388451211.db2.gz RMWOOPKSUUJHOP-NSHDSACASA-N 1 0 249.314 2.044 20 5 BEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000348314972 388435589 /nfs/dbraw/zinc/43/55/89/388435589.db2.gz BNZJVLFTQMACJT-UTLUCORTSA-N 1 0 238.287 2.015 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC23CC3)c1 ZINC000418099539 388674788 /nfs/dbraw/zinc/67/47/88/388674788.db2.gz PWPSDZIFHKQUNJ-LLVKDONJSA-N 1 0 232.283 2.485 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000447070168 388735160 /nfs/dbraw/zinc/73/51/60/388735160.db2.gz RMWOOPKSUUJHOP-LLVKDONJSA-N 1 0 249.314 2.044 20 5 BEBDRO COCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000066995989 388691245 /nfs/dbraw/zinc/69/12/45/388691245.db2.gz ARLGCSTWZFLJCU-UHFFFAOYSA-N 1 0 244.316 2.171 20 5 BEBDRO C[C@H](CC[NH+](C)C)Nc1sccc1[N+](=O)[O-] ZINC000301981926 388723982 /nfs/dbraw/zinc/72/39/82/388723982.db2.gz HPKDJRVYHWPVME-MRVPVSSYSA-N 1 0 243.332 2.408 20 5 BEBDRO Cc1cn(Cc2ccc(C)nc2C)nc1[N+](=O)[O-] ZINC000330407955 388756799 /nfs/dbraw/zinc/75/67/99/388756799.db2.gz HDKMNARGDUJMRM-UHFFFAOYSA-N 1 0 246.270 2.160 20 5 BEBDRO CC[C@@H](C)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726033 388799498 /nfs/dbraw/zinc/79/94/98/388799498.db2.gz UCPWHRIRGBRGOG-SNVBAGLBSA-N 1 0 249.314 2.394 20 5 BEBDRO CN(c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000265996800 135146748 /nfs/dbraw/zinc/14/67/48/135146748.db2.gz JVMVZGWILYSMRL-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261577762 135219093 /nfs/dbraw/zinc/21/90/93/135219093.db2.gz OPFCEVDSGLDMMN-ZDUSSCGKSA-N 1 0 249.314 2.078 20 5 BEBDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261578623 135219971 /nfs/dbraw/zinc/21/99/71/135219971.db2.gz LUXDROWWDMUEKH-RNFRBKRXSA-N 1 0 243.694 2.396 20 5 BEBDRO CC[C@@H](COC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000079713490 135355726 /nfs/dbraw/zinc/35/57/26/135355726.db2.gz PTCHBGPXMNRING-NSHDSACASA-N 1 0 238.287 2.109 20 5 BEBDRO CC(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000049259452 167242070 /nfs/dbraw/zinc/24/20/70/167242070.db2.gz LHNBCMPVOPTSFF-UHFFFAOYSA-N 1 0 238.287 2.109 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000094659409 411169999 /nfs/dbraw/zinc/16/99/99/411169999.db2.gz LLORHOYTXRXTDI-NSHDSACASA-N 1 0 249.314 2.267 20 5 BEBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000111612975 411175521 /nfs/dbraw/zinc/17/55/21/411175521.db2.gz TTYOCRHATHXMIQ-NSHDSACASA-N 1 0 249.314 2.396 20 5 BEBDRO CC[C@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337324259 171319806 /nfs/dbraw/zinc/31/98/06/171319806.db2.gz UFGFPUSSIGGEEV-VIFPVBQESA-N 1 0 235.287 2.146 20 5 BEBDRO C[N@@H+]1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000221258888 173033418 /nfs/dbraw/zinc/03/34/18/173033418.db2.gz BEGNYVDNJLIDOJ-SNVBAGLBSA-N 1 0 235.287 2.101 20 5 BEBDRO C[NH2+]C(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC000269933516 173319954 /nfs/dbraw/zinc/31/99/54/173319954.db2.gz DQMRIXZJHWAJNK-UHFFFAOYSA-N 1 0 223.276 2.005 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000300484331 173364151 /nfs/dbraw/zinc/36/41/51/173364151.db2.gz KGICNAWZQZIJDK-SECBINFHSA-N 1 0 237.303 2.171 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000129552635 173375139 /nfs/dbraw/zinc/37/51/39/173375139.db2.gz LNQZIXXRNFXBGD-QMMMGPOBSA-N 1 0 241.266 2.001 20 5 BEBDRO COCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044656436 174200472 /nfs/dbraw/zinc/20/04/72/174200472.db2.gz QMCRVOGXBIEBHA-UHFFFAOYSA-N 1 0 238.287 2.111 20 5 BEBDRO COC[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000045657971 174533247 /nfs/dbraw/zinc/53/32/47/174533247.db2.gz BWBXMTGZVQLEFT-MRVPVSSYSA-N 1 0 244.316 2.028 20 5 BEBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163624 175933983 /nfs/dbraw/zinc/93/39/83/175933983.db2.gz OFPFBMMQDBMRDU-MNOVXSKESA-N 1 0 249.314 2.395 20 5 BEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000299643833 176176252 /nfs/dbraw/zinc/17/62/52/176176252.db2.gz NJFDFCXWRSHFIL-SNVBAGLBSA-N 1 0 220.272 2.437 20 5 BEBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136336982 176396711 /nfs/dbraw/zinc/39/67/11/176396711.db2.gz SAWVAPKGXLSWMW-MWLCHTKSSA-N 1 0 220.272 2.340 20 5 BEBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000229595508 176458228 /nfs/dbraw/zinc/45/82/28/176458228.db2.gz KKDJXRZWQUCNKN-CABZTGNLSA-N 1 0 235.287 2.147 20 5 BEBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163623 176936733 /nfs/dbraw/zinc/93/67/33/176936733.db2.gz OFPFBMMQDBMRDU-QWRGUYRKSA-N 1 0 249.314 2.395 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000791053054 583385403 /nfs/dbraw/zinc/38/54/03/583385403.db2.gz SEHSGERYZSCLMC-NSHDSACASA-N 1 0 238.287 2.473 20 5 BEBDRO C[C@H]1[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737173 583717884 /nfs/dbraw/zinc/71/78/84/583717884.db2.gz SLKZJPXJJBVWKB-JGVFFNPUSA-N 1 0 241.316 2.161 20 5 BEBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000899859011 584242394 /nfs/dbraw/zinc/24/23/94/584242394.db2.gz FHXBLAHUCLYSRS-UHFFFAOYSA-N 1 0 248.204 2.072 20 5 BEBDRO CCCC[C@H](CC)C[NH2+]CC[N+](=O)[O-] ZINC000899856982 584243698 /nfs/dbraw/zinc/24/36/98/584243698.db2.gz ZRKWDNFSBRXOMV-JTQLQIEISA-N 1 0 202.298 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000899864689 584244270 /nfs/dbraw/zinc/24/42/70/584244270.db2.gz LKOMTMPWTVUEED-QJPTWQEYSA-N 1 0 226.320 2.212 20 5 BEBDRO C[C@@H]1CCC[C@@H](C2C[NH+](CC[N+](=O)[O-])C2)C1 ZINC000899893124 584248550 /nfs/dbraw/zinc/24/85/50/584248550.db2.gz LNJFPBBJUIHKNB-GHMZBOCLSA-N 1 0 226.320 2.021 20 5 BEBDRO O=[N+]([O-])c1ccc(-c2cc(C[NH2+]C3CC3)on2)o1 ZINC000901398975 584439027 /nfs/dbraw/zinc/43/90/27/584439027.db2.gz PRSOFEQMWQUZFY-UHFFFAOYSA-N 1 0 249.226 2.095 20 5 BEBDRO Cc1c([C@H](C)NCC2([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000902417551 584591306 /nfs/dbraw/zinc/59/13/06/584591306.db2.gz SQXXJKIRBPKEDR-JTQLQIEISA-N 1 0 249.314 2.045 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761100157 585409126 /nfs/dbraw/zinc/40/91/26/585409126.db2.gz WMMSDVHEEXJMKP-WCQYABFASA-N 1 0 232.283 2.232 20 5 BEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774536836 585661077 /nfs/dbraw/zinc/66/10/77/585661077.db2.gz MWYQZOTVDSARTG-QWRGUYRKSA-N 1 0 249.314 2.124 20 5 BEBDRO O=[N+]([O-])CC[NH+]1CCC2(CCCCC2)CC1 ZINC000791052102 585972835 /nfs/dbraw/zinc/97/28/35/585972835.db2.gz KZIFKOZJPOIIHP-UHFFFAOYSA-N 1 0 226.320 2.309 20 5 BEBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054153 585973433 /nfs/dbraw/zinc/97/34/33/585973433.db2.gz XZPMCYOGZQNPIN-QWHCGFSZSA-N 1 0 248.326 2.450 20 5 BEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000820597280 587057980 /nfs/dbraw/zinc/05/79/80/587057980.db2.gz YFZUBQAFQUOOKZ-ZWNOBZJWSA-N 1 0 249.314 2.124 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880288709 590984791 /nfs/dbraw/zinc/98/47/91/590984791.db2.gz DRLLRTZTMRGFEU-JTQLQIEISA-N 1 0 238.262 2.386 20 5 BEBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249099 592185450 /nfs/dbraw/zinc/18/54/50/592185450.db2.gz CPNULRMKQKUDFC-OUAUKWLOSA-N 1 0 249.314 2.466 20 5 BEBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000886288587 592201285 /nfs/dbraw/zinc/20/12/85/592201285.db2.gz CKODARVIEMTWNU-NSHDSACASA-N 1 0 249.314 2.468 20 5 BEBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000309393892 632023472 /nfs/dbraw/zinc/02/34/72/632023472.db2.gz UYRXWVFVGQHANN-GFCCVEGCSA-N 1 0 222.288 2.250 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000930741909 634080503 /nfs/dbraw/zinc/08/05/03/634080503.db2.gz BTJCXFSTZWSOSG-MNOVXSKESA-N 1 0 228.336 2.410 20 5 BEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000341589265 636285046 /nfs/dbraw/zinc/28/50/46/636285046.db2.gz SFCMONRYSVVWET-UTLUCORTSA-N 1 0 238.287 2.015 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCCSc1ccccc1 ZINC000905022058 637571497 /nfs/dbraw/zinc/57/14/97/637571497.db2.gz BPIZYEIXOXMBQU-UHFFFAOYSA-N 1 0 240.328 2.035 20 5 BEBDRO C[C@@H]1CCCC[C@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905117321 637622005 /nfs/dbraw/zinc/62/20/05/637622005.db2.gz NUVFUTCAENUGTA-MNOVXSKESA-N 1 0 214.309 2.069 20 5 BEBDRO CCC[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905094767 637630878 /nfs/dbraw/zinc/63/08/78/637630878.db2.gz BCHFHEOUEFFLOV-ZDUSSCGKSA-N 1 0 236.315 2.264 20 5 BEBDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905190508 637672222 /nfs/dbraw/zinc/67/22/22/637672222.db2.gz KZYAKRKHDZECCI-GWCFXTLKSA-N 1 0 234.299 2.176 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000905230372 637690935 /nfs/dbraw/zinc/69/09/35/637690935.db2.gz LHCSBSOOAGIQFO-KGLIPLIRSA-N 1 0 248.326 2.264 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCC1=CCCCCC1 ZINC000905214454 637699621 /nfs/dbraw/zinc/69/96/21/637699621.db2.gz HWKFWMCVXIKPDO-UHFFFAOYSA-N 1 0 212.293 2.133 20 5 BEBDRO CC(C)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905219678 637702235 /nfs/dbraw/zinc/70/22/35/637702235.db2.gz MEVIBHLBDRDVEG-UHFFFAOYSA-N 1 0 222.288 2.176 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000905263466 637717627 /nfs/dbraw/zinc/71/76/27/637717627.db2.gz QDSDQSCPEAOMLO-SECBINFHSA-N 1 0 236.262 2.068 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000905272301 637729713 /nfs/dbraw/zinc/72/97/13/637729713.db2.gz GOSDVCFLZAHNFI-KBPBESRZSA-N 1 0 248.326 2.437 20 5 BEBDRO CC[C@H]1CCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272958 637731334 /nfs/dbraw/zinc/73/13/34/637731334.db2.gz JBDZWHRJLDNMTM-QWRGUYRKSA-N 1 0 214.309 2.069 20 5 BEBDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272956 637731403 /nfs/dbraw/zinc/73/14/03/637731403.db2.gz JBDZWHRJLDNMTM-MNOVXSKESA-N 1 0 214.309 2.069 20 5 BEBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905380838 637782850 /nfs/dbraw/zinc/78/28/50/637782850.db2.gz LCGIWIUELRGXBH-SNVBAGLBSA-N 1 0 214.309 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000905397654 637795465 /nfs/dbraw/zinc/79/54/65/637795465.db2.gz GMSIOFJYVOYCLB-LLVKDONJSA-N 1 0 240.690 2.194 20 5 BEBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930473734 639770096 /nfs/dbraw/zinc/77/00/96/639770096.db2.gz BJEPBBBEDNCFJF-DGCLKSJQSA-N 1 0 234.299 2.346 20 5 BEBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930473733 639770911 /nfs/dbraw/zinc/77/09/11/639770911.db2.gz BJEPBBBEDNCFJF-AAEUAGOBSA-N 1 0 234.299 2.346 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000930564801 639811420 /nfs/dbraw/zinc/81/14/20/639811420.db2.gz NUMQOZAYICGBQA-ZDUSSCGKSA-N 1 0 234.299 2.143 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000930890027 639973956 /nfs/dbraw/zinc/97/39/56/639973956.db2.gz HAJWBXSMKIJCGR-QMMMGPOBSA-N 1 0 236.262 2.067 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000930921223 639986776 /nfs/dbraw/zinc/98/67/76/639986776.db2.gz NPBAOKNCKJOEQW-NSHDSACASA-N 1 0 226.320 2.356 20 5 BEBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1F ZINC000930969324 640003826 /nfs/dbraw/zinc/00/38/26/640003826.db2.gz QZOUWQABLLZYPX-LBPRGKRZSA-N 1 0 240.278 2.389 20 5 BEBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931571800 640279534 /nfs/dbraw/zinc/27/95/34/640279534.db2.gz VCPCXSPQOUNXCL-GFCCVEGCSA-N 1 0 226.320 2.308 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]1 ZINC000158934681 641658433 /nfs/dbraw/zinc/65/84/33/641658433.db2.gz YFZBLOUYAQKJDN-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO CC[C@H](C)C[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000174946980 642640694 /nfs/dbraw/zinc/64/06/94/642640694.db2.gz RCPXIDDLCJIUCL-JTQLQIEISA-N 1 0 240.307 2.117 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094663392 643799173 /nfs/dbraw/zinc/79/91/73/643799173.db2.gz MSYPLJNWONOBII-MNOVXSKESA-N 1 0 249.314 2.443 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000929129642 645960712 /nfs/dbraw/zinc/96/07/12/645960712.db2.gz LUUHEJQMGBKFBB-ZDUSSCGKSA-N 1 0 234.299 2.273 20 5 BEBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000929260203 646043211 /nfs/dbraw/zinc/04/32/11/646043211.db2.gz VIZKDHIOWGMACQ-UTUOFQBUSA-N 1 0 226.320 2.164 20 5 BEBDRO CC[C@@H](C)[C@H](C)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929531379 646176796 /nfs/dbraw/zinc/17/67/96/646176796.db2.gz OICRYHQSNZIROT-ZJUUUORDSA-N 1 0 214.309 2.162 20 5 BEBDRO CC[C@@H]1c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929648984 646218533 /nfs/dbraw/zinc/21/85/33/646218533.db2.gz BKNQENIHAZEWRD-CYBMUJFWSA-N 1 0 234.299 2.273 20 5 BEBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000929713908 646267622 /nfs/dbraw/zinc/26/76/22/646267622.db2.gz HXOJKVHHRHUMLZ-JSGCOSHPSA-N 1 0 248.326 2.389 20 5 BEBDRO O=[N+]([O-])CC[NH+]1CCC(C2CCCC2)CC1 ZINC000929726181 646273237 /nfs/dbraw/zinc/27/32/37/646273237.db2.gz RVPUIWIGYDGYPC-UHFFFAOYSA-N 1 0 226.320 2.165 20 5 BEBDRO CCC[C@@]1(C)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929757890 646288853 /nfs/dbraw/zinc/28/88/53/646288853.db2.gz BSSYWQQAMCLFRE-NSHDSACASA-N 1 0 214.309 2.165 20 5 BEBDRO CCC[C@]1(C)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929757889 646289073 /nfs/dbraw/zinc/28/90/73/646289073.db2.gz BSSYWQQAMCLFRE-LLVKDONJSA-N 1 0 214.309 2.165 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C=CCC2)c1 ZINC000700543673 711996835 /nfs/dbraw/zinc/99/68/35/711996835.db2.gz NSIYIADYPOUBHQ-LLVKDONJSA-N 1 0 218.256 2.403 20 5 BEBDRO Cc1ccc(N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000704575208 712112965 /nfs/dbraw/zinc/11/29/65/712112965.db2.gz SXDZJHDDKKMQOZ-UHFFFAOYSA-N 1 0 249.314 2.221 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C ZINC000712603133 712436575 /nfs/dbraw/zinc/43/65/75/712436575.db2.gz DUKHJHKNORBBQD-NSHDSACASA-N 1 0 235.287 2.019 20 5 BEBDRO C[C@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719578063 712811896 /nfs/dbraw/zinc/81/18/96/712811896.db2.gz MHPBAROIEDIXPB-UWVGGRQHSA-N 1 0 235.287 2.099 20 5 BEBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000719581249 712812721 /nfs/dbraw/zinc/81/27/21/712812721.db2.gz STWZSSHDSGYURB-SKDRFNHKSA-N 1 0 235.287 2.099 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000719622533 712817514 /nfs/dbraw/zinc/81/75/14/712817514.db2.gz GHZUJQGDWKBOBW-MNOVXSKESA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cccc(N[C@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719622551 712817813 /nfs/dbraw/zinc/81/78/13/712817813.db2.gz GOPYAUOUFYVCSF-MNOVXSKESA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000719622535 712817908 /nfs/dbraw/zinc/81/79/08/712817908.db2.gz GHZUJQGDWKBOBW-WDEREUQCSA-N 1 0 249.314 2.408 20 5 BEBDRO C[N+](C)(C)CCO[C@@H](c1cccnc1)C1CC1 ZINC001224776459 964939817 /nfs/dbraw/zinc/93/98/17/964939817.db2.gz VWKGJXMZKKLHCQ-CQSZACIVSA-N 1 0 235.351 2.256 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C=CCC2)cs1 ZINC000698212459 965104733 /nfs/dbraw/zinc/10/47/33/965104733.db2.gz GREQHKCFLFFWLH-SECBINFHSA-N 1 0 224.285 2.465 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CCC2)C1 ZINC001168979167 969298663 /nfs/dbraw/zinc/29/86/63/969298663.db2.gz WRIUSSRLOIXLJE-RYUDHWBXSA-N 1 0 226.320 2.212 20 5 BEBDRO CC(C)(C)C(=[NH2+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956582 969306875 /nfs/dbraw/zinc/30/68/75/969306875.db2.gz BUSHBDCJNAVNKE-DTWKUNHWSA-N 1 0 227.308 2.045 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC001169009773 969335995 /nfs/dbraw/zinc/33/59/95/969335995.db2.gz YDOKAEUEIDWPMD-ZJUUUORDSA-N 1 0 248.273 2.163 20 5 BEBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169010592 969337315 /nfs/dbraw/zinc/33/73/15/969337315.db2.gz DWLUHJMSQRWGGL-WISYIIOYSA-N 1 0 244.310 2.112 20 5 BEBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039919 969357685 /nfs/dbraw/zinc/35/76/85/969357685.db2.gz VVFCWGGKZAVJMK-RNJOBUHISA-N 1 0 240.347 2.410 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1ncccc1F ZINC001224622577 973804834 /nfs/dbraw/zinc/80/48/34/973804834.db2.gz IKOBOSXQCGGTLY-LLVKDONJSA-N 1 0 241.330 2.395 20 5 BEBDRO O=[N+]([O-])c1cc(F)cc(Nc2cc[nH+]cc2)c1 ZINC001216480418 971095392 /nfs/dbraw/zinc/09/53/92/971095392.db2.gz AVDGQPGWQKGCDL-UHFFFAOYSA-N 1 0 233.202 2.294 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc(F)c1 ZINC001225226322 974265849 /nfs/dbraw/zinc/26/58/49/974265849.db2.gz MXETVZUAINFAMN-SECBINFHSA-N 1 0 230.278 2.438 20 5 BEBDRO C[C@@H](O[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001217824607 959623861 /nfs/dbraw/zinc/62/38/61/959623861.db2.gz SFGIRJAAPHCXJR-SKDRFNHKSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@H](C[NH+](C)C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000713921869 963564988 /nfs/dbraw/zinc/56/49/88/963564988.db2.gz AGNRKLYKARKKAV-MRVPVSSYSA-N 1 0 242.250 2.063 20 5 BEBDRO COc1cccc(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001228571066 963859793 /nfs/dbraw/zinc/85/97/93/963859793.db2.gz GPMQPEMKMGEHCF-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccncc1F ZINC001224621542 964808913 /nfs/dbraw/zinc/80/89/13/964808913.db2.gz XSHZCNAVOWVZLH-LLVKDONJSA-N 1 0 241.330 2.395 20 5 BEBDRO CCCC(=O)[C@H](CCC)OCC[N+](C)(C)C ZINC001224776589 964940418 /nfs/dbraw/zinc/94/04/18/964940418.db2.gz YAJXCQCJQAZXGS-ZDUSSCGKSA-N 1 0 230.372 2.247 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162557844 965046402 /nfs/dbraw/zinc/04/64/02/965046402.db2.gz LQWHQKNPPQRIBJ-GHMZBOCLSA-N 1 0 249.314 2.313 20 5 BEBDRO Cn1c[nH+]cc1Nc1cccc([N+](=O)[O-])c1 ZINC001204439834 966996052 /nfs/dbraw/zinc/99/60/52/966996052.db2.gz LZOHSTLBOAVZGA-UHFFFAOYSA-N 1 0 218.216 2.072 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1nc2ccccc2[nH]1 ZINC001205819296 967835432 /nfs/dbraw/zinc/83/54/32/967835432.db2.gz VSDICIWRDVWRDX-LLVKDONJSA-N 1 0 248.350 2.174 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCCc1ccc(O)cc1 ZINC001206724536 968443941 /nfs/dbraw/zinc/44/39/41/968443941.db2.gz GUBHPENOBPKWJA-GFCCVEGCSA-O 1 0 238.351 2.046 20 5 BEBDRO CCC[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978832 969298713 /nfs/dbraw/zinc/29/87/13/969298713.db2.gz UPHVYNCAFOLBFY-DCAQKATOSA-N 1 0 214.309 2.210 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001168958032 969308006 /nfs/dbraw/zinc/30/80/06/969308006.db2.gz LBSAAMGNTMLROX-GXSJLCMTSA-N 1 0 240.328 2.283 20 5 BEBDRO CC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959590 969310516 /nfs/dbraw/zinc/31/05/16/969310516.db2.gz XFPLDUBQGKAIAB-GHMZBOCLSA-N 1 0 228.336 2.458 20 5 BEBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168961203 969313453 /nfs/dbraw/zinc/31/34/53/969313453.db2.gz HTPGEFGQTJOVSE-MWLCHTKSSA-N 1 0 226.320 2.210 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168963679 969316233 /nfs/dbraw/zinc/31/62/33/969316233.db2.gz PQLIWRHYTCKQTG-GMXVVIOVSA-N 1 0 249.314 2.178 20 5 BEBDRO CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966551 969317292 /nfs/dbraw/zinc/31/72/92/969317292.db2.gz JKQOXHCCVGEEMW-WDEREUQCSA-N 1 0 226.320 2.212 20 5 BEBDRO CCC(CC)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964748 969318245 /nfs/dbraw/zinc/31/82/45/969318245.db2.gz VRECDGCJVYDAAX-VXGBXAGGSA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168964948 969319079 /nfs/dbraw/zinc/31/90/79/969319079.db2.gz WSABIYVPVHMZHB-TUAOUCFPSA-N 1 0 249.314 2.178 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168968106 969320303 /nfs/dbraw/zinc/32/03/03/969320303.db2.gz WBGOLFWVNJPRCL-DCAQKATOSA-N 1 0 228.336 2.456 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168968107 969321625 /nfs/dbraw/zinc/32/16/25/969321625.db2.gz WBGOLFWVNJPRCL-GARJFASQSA-N 1 0 228.336 2.456 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC001168993555 969326147 /nfs/dbraw/zinc/32/61/47/969326147.db2.gz NDDCCAGDIPWDPJ-WDEREUQCSA-N 1 0 238.331 2.354 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCC1 ZINC001169004055 969327382 /nfs/dbraw/zinc/32/73/82/969327382.db2.gz PHTKPRYOXYQUDR-UMNHJUIQSA-N 1 0 226.320 2.210 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2Cc3ccccc3C2)C1 ZINC001169006281 969330518 /nfs/dbraw/zinc/33/05/18/969330518.db2.gz GMQKAXIGHYNBKC-SMDDNHRTSA-N 1 0 246.310 2.448 20 5 BEBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004943 969330917 /nfs/dbraw/zinc/33/09/17/969330917.db2.gz SKPMNPMGXYTBSF-MLGHIDQZSA-N 1 0 240.347 2.456 20 5 BEBDRO CC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006243 969331111 /nfs/dbraw/zinc/33/11/11/969331111.db2.gz GJHIELDUPUFQHG-NWDGAFQWSA-N 1 0 226.320 2.164 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC001168988882 969344701 /nfs/dbraw/zinc/34/47/01/969344701.db2.gz UPLJLMFFUHQLOT-GRYCIOLGSA-N 1 0 238.331 2.354 20 5 BEBDRO C[N@H+](C1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037720 969356565 /nfs/dbraw/zinc/35/65/65/969356565.db2.gz TWKHQDKJLKGBOH-PWSUYJOCSA-N 1 0 226.320 2.306 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(CF)CC2)C1 ZINC001169038568 969357788 /nfs/dbraw/zinc/35/77/88/969357788.db2.gz ZSJBUAGDFYLZQE-NEPJUHHUSA-N 1 0 244.310 2.113 20 5 BEBDRO C[N@H+](C1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037721 969358644 /nfs/dbraw/zinc/35/86/44/969358644.db2.gz TWKHQDKJLKGBOH-ZYHUDNBSSA-N 1 0 226.320 2.306 20 5 BEBDRO CC[C@H](C)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019834 969359873 /nfs/dbraw/zinc/35/98/73/969359873.db2.gz JVDSKROXNDDULC-DCAQKATOSA-N 1 0 214.309 2.162 20 5 BEBDRO Cc1cccc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169231954 969507028 /nfs/dbraw/zinc/50/70/28/969507028.db2.gz XCIQZGYXQMLULT-SECBINFHSA-N 1 0 246.270 2.109 20 5 BEBDRO CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568401 969739491 /nfs/dbraw/zinc/73/94/91/969739491.db2.gz UGMFZYQBNNMFDA-NSHDSACASA-N 1 0 220.272 2.062 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC1)C2 ZINC001254567914 969740940 /nfs/dbraw/zinc/74/09/40/969740940.db2.gz QQXZVLRNTPTBMH-LBPRGKRZSA-N 1 0 232.283 2.062 20 5 BEBDRO CC[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581394 969741742 /nfs/dbraw/zinc/74/17/42/969741742.db2.gz JRZCBGCVQWPRGW-BXKDBHETSA-N 1 0 234.299 2.450 20 5 BEBDRO CC(C)[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595979 969743987 /nfs/dbraw/zinc/74/39/87/969743987.db2.gz APOQSMOEXXSNTJ-ZDUSSCGKSA-N 1 0 234.299 2.402 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC=CC1)C2 ZINC001254583692 969744076 /nfs/dbraw/zinc/74/40/76/969744076.db2.gz NRGVNKRRDYXXKL-ZDUSSCGKSA-N 1 0 244.294 2.370 20 5 BEBDRO C[C@@H](O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001329649244 970361064 /nfs/dbraw/zinc/36/10/64/970361064.db2.gz ZNXMGBIGQXQKRX-IVZWLZJFSA-N 1 0 238.287 2.015 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1noc2ccccc12 ZINC001223609950 973187879 /nfs/dbraw/zinc/18/78/79/973187879.db2.gz PHMJRRSWDJYURH-LLVKDONJSA-N 1 0 249.334 2.439 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)O[C@@H](C)c1ccccn1 ZINC001223997022 973386605 /nfs/dbraw/zinc/38/66/05/973386605.db2.gz UOBKLEKNLXTXMR-RYUDHWBXSA-N 1 0 223.340 2.254 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc2ocnc21 ZINC001224050989 973428843 /nfs/dbraw/zinc/42/88/43/973428843.db2.gz DJIQACXAKHDZGO-NSHDSACASA-N 1 0 249.334 2.439 20 5 BEBDRO C[N+](C)(C)CCCO[C@H]1CCC(F)(F)C1 ZINC001224621112 973801553 /nfs/dbraw/zinc/80/15/53/973801553.db2.gz MMXZDSTYTJWRBF-JTQLQIEISA-N 1 0 222.299 2.287 20 5 BEBDRO COC1=CC[C@@H](OCCC[N+](C)(C)C)CC1 ZINC001224621034 973801694 /nfs/dbraw/zinc/80/16/94/973801694.db2.gz IUDQIAKRZSBJJE-CYBMUJFWSA-N 1 0 228.356 2.182 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001224623979 973808711 /nfs/dbraw/zinc/80/87/11/973808711.db2.gz RQXAPTLDKAKHMY-YNEHKIRRSA-N 1 0 210.341 2.064 20 5 BEBDRO C[N+](C)(C)CCO[C@@H]1CCc2ccccc21 ZINC001224770521 973932810 /nfs/dbraw/zinc/93/28/10/973932810.db2.gz BDFNTTVXQMHUGN-CQSZACIVSA-N 1 0 220.336 2.397 20 5 BEBDRO COC1CCC(CO[C@@H](C)C[N+](C)(C)C)CC1 ZINC001224845149 974024471 /nfs/dbraw/zinc/02/44/71/974024471.db2.gz CZMFBLXPXGZRJA-HSBZDZAISA-N 1 0 244.399 2.303 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cccc1F ZINC001225208496 974233423 /nfs/dbraw/zinc/23/34/23/974233423.db2.gz YIQKPGYUYYUEAE-SECBINFHSA-N 1 0 230.278 2.438 20 5 BEBDRO CC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001225573740 974560070 /nfs/dbraw/zinc/56/00/70/974560070.db2.gz IYNFIPJSWZCQTA-LLVKDONJSA-N 1 0 236.335 2.363 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cnccc1Cl ZINC001226294257 974847718 /nfs/dbraw/zinc/84/77/18/974847718.db2.gz QFIXKLGLKOXTAW-SECBINFHSA-N 1 0 229.731 2.209 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCO2 ZINC001226363173 974868853 /nfs/dbraw/zinc/86/88/53/974868853.db2.gz KIGIKBSADDSNAI-LLVKDONJSA-N 1 0 236.335 2.095 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1noc2ccccc21 ZINC001226403666 974885706 /nfs/dbraw/zinc/88/57/06/974885706.db2.gz WHMIJNFPZVIPKY-SNVBAGLBSA-N 1 0 235.307 2.301 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2n[nH]cc21 ZINC001226616907 974982122 /nfs/dbraw/zinc/98/21/22/974982122.db2.gz FQKHCXXPYBTTFK-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763384 975064364 /nfs/dbraw/zinc/06/43/64/975064364.db2.gz RIHRNFAYGSOXNU-LBPRGKRZSA-N 1 0 236.271 2.068 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001173221842 975074753 /nfs/dbraw/zinc/07/47/53/975074753.db2.gz MRWQANASJPQTRI-RTXFEEFZSA-N 1 0 246.310 2.478 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1O[C@H](C)C[NH+](C)C ZINC001226968638 975196325 /nfs/dbraw/zinc/19/63/25/975196325.db2.gz HIDWLDGSOUFGAH-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H](C)C[NH+](C)C ZINC001226994770 975212279 /nfs/dbraw/zinc/21/22/79/975212279.db2.gz HHNNTYHHRUHYKC-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2cc[nH]c21 ZINC001227900362 975779766 /nfs/dbraw/zinc/77/97/66/975779766.db2.gz GTDOHJOIWHAHAO-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001333441997 975782127 /nfs/dbraw/zinc/78/21/27/975782127.db2.gz LBPKJBOULDQKPX-RYUDHWBXSA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)ncn2C ZINC001228346891 976140511 /nfs/dbraw/zinc/14/05/11/976140511.db2.gz SDESBBHSHMMKGN-LLVKDONJSA-N 1 0 248.350 2.047 20 5 BEBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001333894063 976145897 /nfs/dbraw/zinc/14/58/97/976145897.db2.gz KRYMQIWKAXNZGN-LBPRGKRZSA-N 1 0 222.288 2.394 20 5 BEBDRO Cc1cnc(F)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228582628 976346742 /nfs/dbraw/zinc/34/67/42/976346742.db2.gz CEMASPLGUNDXSE-JTQLQIEISA-N 1 0 227.303 2.003 20 5 BEBDRO Cc1cn2cccc(O[C@H](C)C[N+](C)(C)C)c2n1 ZINC001228844181 976519140 /nfs/dbraw/zinc/51/91/40/976519140.db2.gz ZQRMTJVFMNRNFN-GFCCVEGCSA-N 1 0 248.350 2.116 20 5 BEBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334724851 976602740 /nfs/dbraw/zinc/60/27/40/976602740.db2.gz VSEVWBZZXDOTOJ-QWRGUYRKSA-N 1 0 214.309 2.212 20 5 BEBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1F ZINC001228981505 976607128 /nfs/dbraw/zinc/60/71/28/976607128.db2.gz CBOPKPZCXQPQOF-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC001334755516 976625677 /nfs/dbraw/zinc/62/56/77/976625677.db2.gz QKHRALOAEXGYBP-MRVPVSSYSA-N 1 0 224.260 2.274 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)OCC2 ZINC001228997871 976632743 /nfs/dbraw/zinc/63/27/43/976632743.db2.gz VSMRLEXDOQLSMC-LLVKDONJSA-N 1 0 236.335 2.095 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001334783574 976657321 /nfs/dbraw/zinc/65/73/21/976657321.db2.gz HXTABQWAYFMOLS-CYBMUJFWSA-N 1 0 234.299 2.490 20 5 BEBDRO C[N@@H+]1CC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229119929 976754105 /nfs/dbraw/zinc/75/41/05/976754105.db2.gz TUUCQAAGLQJAMX-YSKGHYERSA-N 1 0 248.282 2.017 20 5 BEBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]c(CO)c2)cc1 ZINC001174477380 976796834 /nfs/dbraw/zinc/79/68/34/976796834.db2.gz PWMUCAXXTBYWET-UHFFFAOYSA-N 1 0 245.238 2.226 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncccc2n1 ZINC001230719413 977313737 /nfs/dbraw/zinc/31/37/37/977313737.db2.gz MUHIFTDQYNWMGL-NSHDSACASA-N 1 0 246.334 2.103 20 5 BEBDRO Cn1cc[nH+]c1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175899907 977813060 /nfs/dbraw/zinc/81/30/60/977813060.db2.gz CTFWIAVVOBYZHA-SOFGYWHQSA-N 1 0 244.254 2.411 20 5 BEBDRO CCc1ccc(O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001233579287 978631537 /nfs/dbraw/zinc/63/15/37/978631537.db2.gz BPTMKZNHDYPFFN-LLVKDONJSA-O 1 0 238.351 2.428 20 5 BEBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001341105096 979231088 /nfs/dbraw/zinc/23/10/88/979231088.db2.gz JFZKYULJHXKDRJ-CQSZACIVSA-N 1 0 248.326 2.360 20 5 BEBDRO CC(C)C1(C)CC[NH+](CC[N+](=O)[O-])CC1 ZINC001354641960 983339671 /nfs/dbraw/zinc/33/96/71/983339671.db2.gz XQXXTGFUHRUHHS-UHFFFAOYSA-N 1 0 214.309 2.021 20 5 BEBDRO Cc1cc(N[C@H]2C[C@H](C[NH3+])C2)c([N+](=O)[O-])s1 ZINC001579638018 986158854 /nfs/dbraw/zinc/15/88/54/986158854.db2.gz NVMBJKRWNSAHDT-ZKCHVHJHSA-N 1 0 241.316 2.114 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001473888602 987601903 /nfs/dbraw/zinc/60/19/03/987601903.db2.gz XAALQTJKFOBBDA-LBPRGKRZSA-N 1 0 226.320 2.165 20 5 BEBDRO Cc1c[nH+]ccc1Nc1cc([N+](=O)[O-])cnc1C ZINC001248745018 989140115 /nfs/dbraw/zinc/14/01/15/989140115.db2.gz BPTLKBFLMWXYOA-UHFFFAOYSA-N 1 0 244.254 2.167 20 5 BEBDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001120503504 989669261 /nfs/dbraw/zinc/66/92/61/989669261.db2.gz SHURUOXGJPKNGZ-ZJUUUORDSA-N 1 0 214.309 2.068 20 5 BEBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC001618778519 1170649258 /nfs/dbraw/zinc/64/92/58/1170649258.db2.gz YFMIBMCDUAIKOQ-RYUDHWBXSA-N 1 0 240.347 2.411 20 5 BEBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293405626 398196781 /nfs/dbraw/zinc/19/67/81/398196781.db2.gz MAGCNCLIQVJUFS-ZJUUUORDSA-N 1 0 220.272 2.435 20 5 BEBDRO Cc1cc(NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000035277383 178160449 /nfs/dbraw/zinc/16/04/49/178160449.db2.gz YGBLZXIQBGCXOB-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO Cc1cc(NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110798806 178163587 /nfs/dbraw/zinc/16/35/87/178163587.db2.gz JWNSIUNHSJZXRU-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000037247444 361776667 /nfs/dbraw/zinc/77/66/67/361776667.db2.gz VXWAJVOIZILTEG-UHFFFAOYSA-N 1 0 235.287 2.101 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CF ZINC000288389516 178271820 /nfs/dbraw/zinc/27/18/20/178271820.db2.gz GUOKQSBFNWHTIK-SECBINFHSA-N 1 0 226.251 2.351 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C)CC1 ZINC000037267614 178272214 /nfs/dbraw/zinc/27/22/14/178272214.db2.gz WLYZYGYEOLCAIZ-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[NH2+]C1 ZINC000044503138 178273297 /nfs/dbraw/zinc/27/32/97/178273297.db2.gz CKBIIWSZPCWCHN-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196122 398315978 /nfs/dbraw/zinc/31/59/78/398315978.db2.gz VQNBKJNGZYFVNN-ONGXEEELSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[C@@H]([NH2+]CC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000602804503 349743672 /nfs/dbraw/zinc/74/36/72/349743672.db2.gz INHWWQKBBLHVJH-GFCCVEGCSA-N 1 0 236.271 2.225 20 5 BEBDRO C[C@H]([NH3+])CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310185559 343377424 /nfs/dbraw/zinc/37/74/24/343377424.db2.gz VVONDAKFNKYAOI-LURJTMIESA-N 1 0 245.229 2.292 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC2)cc1 ZINC000044481718 344541821 /nfs/dbraw/zinc/54/18/21/344541821.db2.gz WFKMWRKLBUGRJR-UHFFFAOYSA-N 1 0 206.245 2.237 20 5 BEBDRO CSCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000176450172 345013078 /nfs/dbraw/zinc/01/30/78/345013078.db2.gz ZCWFCHYYIKBHBV-UHFFFAOYSA-N 1 0 240.328 2.390 20 5 BEBDRO Cc1ccc(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000080531116 345281747 /nfs/dbraw/zinc/28/17/47/345281747.db2.gz PYLFNVNZIQWYEI-UHFFFAOYSA-N 1 0 249.314 2.045 20 5 BEBDRO CC[NH+](CC)CCNc1ccsc1[N+](=O)[O-] ZINC000033901265 345823089 /nfs/dbraw/zinc/82/30/89/345823089.db2.gz GUTWJSXGUSSPNS-UHFFFAOYSA-N 1 0 243.332 2.410 20 5 BEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000591370624 347654623 /nfs/dbraw/zinc/65/46/23/347654623.db2.gz MBVDBVPZIJAYQQ-UHFFFAOYSA-N 1 0 241.316 2.162 20 5 BEBDRO Cc1noc(CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293049 348215481 /nfs/dbraw/zinc/21/54/81/348215481.db2.gz WRKWANIMWVQIDA-QMMMGPOBSA-N 1 0 239.275 2.123 20 5 BEBDRO Cc1noc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595334760 348220744 /nfs/dbraw/zinc/22/07/44/348220744.db2.gz VVJZHRZHAMNCIC-SFYZADRCSA-N 1 0 239.275 2.122 20 5 BEBDRO Cc1noc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595338130 348220832 /nfs/dbraw/zinc/22/08/32/348220832.db2.gz FLDDUYJMAIWNBU-YUMQZZPRSA-N 1 0 239.275 2.264 20 5 BEBDRO CC[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595306101 348222708 /nfs/dbraw/zinc/22/27/08/348222708.db2.gz KKQIYGUNLWPVNG-SECBINFHSA-N 1 0 239.275 2.266 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595810021 348350067 /nfs/dbraw/zinc/35/00/67/348350067.db2.gz VRVYGQNRICPYIY-VXGBXAGGSA-N 1 0 232.283 2.437 20 5 BEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596424300 348528411 /nfs/dbraw/zinc/52/84/11/348528411.db2.gz GYXFRWFFWKELAJ-JTQLQIEISA-N 1 0 237.303 2.347 20 5 BEBDRO CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603911023 350050594 /nfs/dbraw/zinc/05/05/94/350050594.db2.gz PROBHAYXZZMEGJ-UHFFFAOYSA-N 1 0 208.261 2.089 20 5 BEBDRO C[NH2+]CCSCc1cccc([N+](=O)[O-])c1 ZINC000382645487 350935357 /nfs/dbraw/zinc/93/53/57/350935357.db2.gz JGBKSTOWYHUBDT-UHFFFAOYSA-N 1 0 226.301 2.047 20 5 BEBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343569854 350976737 /nfs/dbraw/zinc/97/67/37/350976737.db2.gz YTPRUKHHKREOLF-GWCFXTLKSA-N 1 0 249.314 2.489 20 5 BEBDRO CC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000035014088 351380766 /nfs/dbraw/zinc/38/07/66/351380766.db2.gz HZXYHVFHLHLUCJ-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO C/C=C/C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000232461809 352719788 /nfs/dbraw/zinc/71/97/88/352719788.db2.gz VDBFIVWUYXKPQT-NSCUHMNNSA-N 1 0 220.272 2.303 20 5 BEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000037988011 357020862 /nfs/dbraw/zinc/02/08/62/357020862.db2.gz NLKJFNQXGJELKV-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000053711828 357157285 /nfs/dbraw/zinc/15/72/85/357157285.db2.gz SUBRJUKGQVOUGF-PHIMTYICSA-N 1 0 249.314 2.090 20 5 BEBDRO Cc1c(C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000051125774 357956911 /nfs/dbraw/zinc/95/69/11/357956911.db2.gz BURXKDOXGDUTPH-UHFFFAOYSA-N 1 0 220.272 2.499 20 5 BEBDRO C[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795061 360089033 /nfs/dbraw/zinc/08/90/33/360089033.db2.gz GWHFYDWMNAZFDJ-QWRGUYRKSA-N 1 0 249.314 2.489 20 5 BEBDRO C[NH+](C)[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000057838826 368500189 /nfs/dbraw/zinc/50/01/89/368500189.db2.gz RFUXIYCQHGLTKG-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO CC(C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061019415 368557722 /nfs/dbraw/zinc/55/77/22/368557722.db2.gz VAIWGCGDRWUNBI-UHFFFAOYSA-N 1 0 249.314 2.125 20 5 BEBDRO CCCN(c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000104078281 169182925 /nfs/dbraw/zinc/18/29/25/169182925.db2.gz BZFDLDQKSFPXQR-LLVKDONJSA-N 1 0 249.314 2.173 20 5 BEBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000054267439 169260443 /nfs/dbraw/zinc/26/04/43/169260443.db2.gz NJNYSSZTGYEIPE-UHFFFAOYSA-N 1 0 237.303 2.315 20 5 BEBDRO C[C@H](C[N@H+](C)CC[N+](=O)[O-])C1CCCCC1 ZINC001644109505 1172526363 /nfs/dbraw/zinc/52/63/63/1172526363.db2.gz RJESSJLPYQERHN-LLVKDONJSA-N 1 0 228.336 2.411 20 5 BEBDRO C[C@H](F)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000339496273 383992263 /nfs/dbraw/zinc/99/22/63/383992263.db2.gz QNDCUZAXDKVQPM-ZETCQYMHSA-N 1 0 232.280 2.494 20 5 BEBDRO C[C@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759304 383948175 /nfs/dbraw/zinc/94/81/75/383948175.db2.gz ZXXKVXIRBLJJBL-GXSJLCMTSA-N 1 0 236.271 2.034 20 5 BEBDRO CC(C)(CF)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000336669710 384249352 /nfs/dbraw/zinc/24/93/52/384249352.db2.gz MXBZDXSUGZXPFT-UHFFFAOYSA-N 1 0 226.251 2.433 20 5 BEBDRO C[N@H+](CCCF)Cc1ccccc1[N+](=O)[O-] ZINC000178265353 384883049 /nfs/dbraw/zinc/88/30/49/384883049.db2.gz SOMXJSMAERYXPJ-UHFFFAOYSA-N 1 0 226.251 2.386 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]2C(F)F)c1 ZINC000342245831 385876279 /nfs/dbraw/zinc/87/62/79/385876279.db2.gz ZJIFQWSHISICOB-NXEZZACHSA-N 1 0 242.225 2.338 20 5 BEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000035136405 386426171 /nfs/dbraw/zinc/42/61/71/386426171.db2.gz XFBPXVYMOKPJEB-VIFPVBQESA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000291992726 386543243 /nfs/dbraw/zinc/54/32/43/386543243.db2.gz XZQQORLOCGFTIO-SNVBAGLBSA-N 1 0 237.303 2.204 20 5 BEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000087225976 386745027 /nfs/dbraw/zinc/74/50/27/386745027.db2.gz JTOATXJJDAJEPR-UHFFFAOYSA-N 1 0 224.235 2.328 20 5 BEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000229883933 387203015 /nfs/dbraw/zinc/20/30/15/387203015.db2.gz DSAPGQWFZHLYAV-SECBINFHSA-N 1 0 246.270 2.169 20 5 BEBDRO C[C@H]([NH2+]Cc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000038005989 388255394 /nfs/dbraw/zinc/25/53/94/388255394.db2.gz IODJZEDFFLEWMS-VIFPVBQESA-N 1 0 246.270 2.169 20 5 BEBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000271660600 388397777 /nfs/dbraw/zinc/39/77/77/388397777.db2.gz UXRYYTLIOBARLM-CYBMUJFWSA-N 1 0 249.314 2.125 20 5 BEBDRO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000348314969 388435427 /nfs/dbraw/zinc/43/54/27/388435427.db2.gz BNZJVLFTQMACJT-GUBZILKMSA-N 1 0 238.287 2.015 20 5 BEBDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122896727 388582032 /nfs/dbraw/zinc/58/20/32/388582032.db2.gz PZFJXPYCVXTCSQ-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533919 388677374 /nfs/dbraw/zinc/67/73/74/388677374.db2.gz IXKRMXRWGRLSPP-UHFFFAOYSA-N 1 0 236.271 2.068 20 5 BEBDRO CC(C)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332700519 388796634 /nfs/dbraw/zinc/79/66/34/388796634.db2.gz VHPNDVLSLOFXPV-UHFFFAOYSA-N 1 0 249.314 2.394 20 5 BEBDRO C[C@@H]([NH2+]CCF)c1ccc([N+](=O)[O-])cc1 ZINC000281146265 388790946 /nfs/dbraw/zinc/79/09/46/388790946.db2.gz UXMWDCPMUXPRMR-MRVPVSSYSA-N 1 0 212.224 2.215 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000126618388 388831296 /nfs/dbraw/zinc/83/12/96/388831296.db2.gz YYUWKPJKJMNODF-UHFFFAOYSA-N 1 0 248.282 2.031 20 5 BEBDRO CC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286319272 132214469 /nfs/dbraw/zinc/21/44/69/132214469.db2.gz KTYHDKLGFGIISC-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO C[NH2+]C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000040601890 132224009 /nfs/dbraw/zinc/22/40/09/132224009.db2.gz AYBSAHIGJYOKSO-NSHDSACASA-N 1 0 249.314 2.031 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000094663370 132238951 /nfs/dbraw/zinc/23/89/51/132238951.db2.gz NUQQWHFRSANZIK-MNOVXSKESA-N 1 0 249.314 2.090 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]2C(F)F)cs1 ZINC000348220275 136047007 /nfs/dbraw/zinc/04/70/07/136047007.db2.gz NCNXOLHEQSTYCF-NKWVEPMBSA-N 1 0 248.254 2.400 20 5 BEBDRO CC(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000070944130 409903800 /nfs/dbraw/zinc/90/38/00/409903800.db2.gz ZBNHDLWVSZNPMR-UHFFFAOYSA-N 1 0 208.261 2.435 20 5 BEBDRO CC(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278613689 167009808 /nfs/dbraw/zinc/00/98/08/167009808.db2.gz GRUFBYFFPWTOTA-UHFFFAOYSA-N 1 0 248.286 2.217 20 5 BEBDRO CC(C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000001666797 167108651 /nfs/dbraw/zinc/10/86/51/167108651.db2.gz ZMZQHTNFCZQDNK-UHFFFAOYSA-N 1 0 208.261 2.135 20 5 BEBDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124408835 171576731 /nfs/dbraw/zinc/57/67/31/171576731.db2.gz LITRYCCUMIVBSC-SKDRFNHKSA-N 1 0 238.287 2.016 20 5 BEBDRO C[NH+](C)CC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000281766001 172425202 /nfs/dbraw/zinc/42/52/02/172425202.db2.gz GJIUMUSDYWQSKG-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO C[N@@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000044537700 173040657 /nfs/dbraw/zinc/04/06/57/173040657.db2.gz SDAHFXLWKQEYET-LLVKDONJSA-N 1 0 249.314 2.349 20 5 BEBDRO C[N@@H+]1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000221258951 173056610 /nfs/dbraw/zinc/05/66/10/173056610.db2.gz BEGNYVDNJLIDOJ-JTQLQIEISA-N 1 0 235.287 2.101 20 5 BEBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000271753205 173319142 /nfs/dbraw/zinc/31/91/42/173319142.db2.gz WMWABDNFEHOFJS-UHFFFAOYSA-N 1 0 237.303 2.313 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)C ZINC000036722094 175201114 /nfs/dbraw/zinc/20/11/14/175201114.db2.gz MFKBLYHNYGKKTR-UHFFFAOYSA-N 1 0 238.287 2.349 20 5 BEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000035136379 176877345 /nfs/dbraw/zinc/87/73/45/176877345.db2.gz PFZLQWMKEJLYRA-VIFPVBQESA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000309309141 177194820 /nfs/dbraw/zinc/19/48/20/177194820.db2.gz NULAHIYHNDCCCP-CABZTGNLSA-N 1 0 220.272 2.483 20 5 BEBDRO CCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000570253344 323054079 /nfs/dbraw/zinc/05/40/79/323054079.db2.gz OABZRVGFKBVHJJ-UHFFFAOYSA-N 1 0 220.272 2.437 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCCC1 ZINC000061745600 324102657 /nfs/dbraw/zinc/10/26/57/324102657.db2.gz XXADGWRKWWRKTB-UHFFFAOYSA-N 1 0 236.271 2.199 20 5 BEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286315854 535748164 /nfs/dbraw/zinc/74/81/64/535748164.db2.gz KLZUZHFWJDWXBQ-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO C[NH2+][C@@H]1CCCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000158934357 536365422 /nfs/dbraw/zinc/36/54/22/536365422.db2.gz SBYDDIDJGUBGHF-LLVKDONJSA-N 1 0 249.314 2.091 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000791053052 583385544 /nfs/dbraw/zinc/38/55/44/583385544.db2.gz SEHSGERYZSCLMC-LLVKDONJSA-N 1 0 238.287 2.473 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCc1ccc2ccccc2c1 ZINC000899869409 584244799 /nfs/dbraw/zinc/24/47/99/584244799.db2.gz FKUVJORGPMSDHM-UHFFFAOYSA-N 1 0 244.294 2.249 20 5 BEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000899892377 584248873 /nfs/dbraw/zinc/24/88/73/584248873.db2.gz PSSXKCJTQINEJA-UHFFFAOYSA-N 1 0 249.097 2.360 20 5 BEBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886018920 585035610 /nfs/dbraw/zinc/03/56/10/585035610.db2.gz JRABPUYCQTYODG-VHSXEESVSA-N 1 0 235.287 2.220 20 5 BEBDRO CC(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499786 585925973 /nfs/dbraw/zinc/92/59/73/585925973.db2.gz WUQNDXYNTXUCHJ-SECBINFHSA-N 1 0 237.303 2.484 20 5 BEBDRO O=[N+]([O-])CC[N@H+](CC1CC1)C1CCCCC1 ZINC000791051751 585972776 /nfs/dbraw/zinc/97/27/76/585972776.db2.gz IKWPIKLGTNWFAZ-UHFFFAOYSA-N 1 0 226.320 2.308 20 5 BEBDRO CC(C)C[N@H+](CC[N+](=O)[O-])CC(C)(C)C ZINC000791052332 585972810 /nfs/dbraw/zinc/97/28/10/585972810.db2.gz MFBGETRCCXLABI-UHFFFAOYSA-N 1 0 216.325 2.267 20 5 BEBDRO O=[N+]([O-])CC[NH+]1CCC(c2ccccc2)CC1 ZINC000791054402 585973182 /nfs/dbraw/zinc/97/31/82/585973182.db2.gz URLWVSOPZHTLSJ-UHFFFAOYSA-N 1 0 234.299 2.143 20 5 BEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000797519085 586128011 /nfs/dbraw/zinc/12/80/11/586128011.db2.gz UFHWVPAYGNKDEK-SKDRFNHKSA-N 1 0 248.282 2.198 20 5 BEBDRO C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885944463 592113083 /nfs/dbraw/zinc/11/30/83/592113083.db2.gz QNESGQZFXVMOCO-SNVBAGLBSA-N 1 0 235.287 2.222 20 5 BEBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018918 592132297 /nfs/dbraw/zinc/13/22/97/592132297.db2.gz JRABPUYCQTYODG-NXEZZACHSA-N 1 0 235.287 2.220 20 5 BEBDRO C[C@@H](C[NH3+])Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235105847 631956185 /nfs/dbraw/zinc/95/61/85/631956185.db2.gz WSFCVQPJIGPROJ-YFKPBYRVSA-N 1 0 247.657 2.146 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000309383820 632023991 /nfs/dbraw/zinc/02/39/91/632023991.db2.gz DSOOHGMIUVMWRV-WDEREUQCSA-N 1 0 222.288 2.045 20 5 BEBDRO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341589258 636285408 /nfs/dbraw/zinc/28/54/08/636285408.db2.gz SFCMONRYSVVWET-KXUCPTDWSA-N 1 0 238.287 2.015 20 5 BEBDRO C[C@@H]1CCC[C@@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905121211 637626765 /nfs/dbraw/zinc/62/67/65/637626765.db2.gz BCRUFOWQXKHUDO-MNOVXSKESA-N 1 0 214.309 2.069 20 5 BEBDRO CC(C)CC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905157967 637640014 /nfs/dbraw/zinc/64/00/14/637640014.db2.gz CUXBPYHSFCTALV-UHFFFAOYSA-N 1 0 228.336 2.459 20 5 BEBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000905132392 637645190 /nfs/dbraw/zinc/64/51/90/637645190.db2.gz AKCKFAUFJHJVJM-LBPRGKRZSA-N 1 0 236.315 2.101 20 5 BEBDRO CC(C)C1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905166914 637677520 /nfs/dbraw/zinc/67/75/20/637677520.db2.gz SDTZEDKAYVSSIB-UHFFFAOYSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000905230374 637690329 /nfs/dbraw/zinc/69/03/29/637690329.db2.gz LHCSBSOOAGIQFO-UONOGXRCSA-N 1 0 248.326 2.264 20 5 BEBDRO CC1(C[NH2+]CC[N+](=O)[O-])CCCCCC1 ZINC000905198870 637691422 /nfs/dbraw/zinc/69/14/22/637691422.db2.gz BQZBZECYCKSORA-UHFFFAOYSA-N 1 0 214.309 2.213 20 5 BEBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905242984 637702995 /nfs/dbraw/zinc/70/29/95/637702995.db2.gz GZALFWYIEYTVDZ-HAQNSBGRSA-N 1 0 234.299 2.107 20 5 BEBDRO C[C@@H](CC1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905238544 637722695 /nfs/dbraw/zinc/72/26/95/637722695.db2.gz RICCLBQXNXWROE-JTQLQIEISA-N 1 0 214.309 2.212 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000905272307 637730208 /nfs/dbraw/zinc/73/02/08/637730208.db2.gz GOSDVCFLZAHNFI-ZIAGYGMSSA-N 1 0 248.326 2.437 20 5 BEBDRO CC1(C)CCC[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905278593 637734676 /nfs/dbraw/zinc/73/46/76/637734676.db2.gz GHYVEXHNZVGBIH-JTQLQIEISA-N 1 0 214.309 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CC1CCc2ccccc2CC1 ZINC000905388764 637786728 /nfs/dbraw/zinc/78/67/28/637786728.db2.gz GVLMOGVJMLBXCI-UHFFFAOYSA-N 1 0 248.326 2.048 20 5 BEBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930608620 639818965 /nfs/dbraw/zinc/81/89/65/639818965.db2.gz RPWSPUSNJDYOJY-LLVKDONJSA-N 1 0 214.309 2.164 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000930892043 639977359 /nfs/dbraw/zinc/97/73/59/639977359.db2.gz ODJNXHODVYZOCO-GFCCVEGCSA-N 1 0 226.320 2.308 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000930994329 640013528 /nfs/dbraw/zinc/01/35/28/640013528.db2.gz PJVAUTQLYIJJAD-GFCCVEGCSA-N 1 0 226.320 2.165 20 5 BEBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000932563088 640575974 /nfs/dbraw/zinc/57/59/74/640575974.db2.gz ZEPXBHDHHTVDPP-SECBINFHSA-N 1 0 226.251 2.061 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]1 ZINC000158934522 641658171 /nfs/dbraw/zinc/65/81/71/641658171.db2.gz YFZBLOUYAQKJDN-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO CCC[NH2+]CCNc1cccc(C)c1[N+](=O)[O-] ZINC000233094936 642651237 /nfs/dbraw/zinc/65/12/37/642651237.db2.gz YLRJYWICEJHXAK-UHFFFAOYSA-N 1 0 237.303 2.315 20 5 BEBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089092106 644534273 /nfs/dbraw/zinc/53/42/73/644534273.db2.gz INBWZTFZSQBJJA-BXKDBHETSA-N 1 0 235.287 2.134 20 5 BEBDRO CCC[N@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000929381599 646103537 /nfs/dbraw/zinc/10/35/37/646103537.db2.gz PFJQBVIRPXSHJV-UHFFFAOYSA-N 1 0 240.278 2.314 20 5 BEBDRO CC[C@H](C)[C@@H](C)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929531378 646177487 /nfs/dbraw/zinc/17/74/87/646177487.db2.gz OICRYHQSNZIROT-VHSXEESVSA-N 1 0 214.309 2.162 20 5 BEBDRO CC(C)[C@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929651015 646218602 /nfs/dbraw/zinc/21/86/02/646218602.db2.gz BKGISYIYXUAPHU-NSHDSACASA-N 1 0 214.309 2.021 20 5 BEBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000929713907 646266287 /nfs/dbraw/zinc/26/62/87/646266287.db2.gz HXOJKVHHRHUMLZ-GXTWGEPZSA-N 1 0 248.326 2.389 20 5 BEBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000929713910 646266730 /nfs/dbraw/zinc/26/67/30/646266730.db2.gz HXOJKVHHRHUMLZ-OCCSQVGLSA-N 1 0 248.326 2.389 20 5 BEBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929811633 646332698 /nfs/dbraw/zinc/33/26/98/646332698.db2.gz BZCJMWFANPCFAN-AAEUAGOBSA-N 1 0 234.299 2.141 20 5 BEBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929855285 646350623 /nfs/dbraw/zinc/35/06/23/646350623.db2.gz QDEUUMFKSPDVOW-MNOVXSKESA-N 1 0 214.309 2.164 20 5 BEBDRO CC(C)CC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929852992 646360326 /nfs/dbraw/zinc/36/03/26/646360326.db2.gz FPYPIHHJIVNDOD-LLVKDONJSA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@H](c1ccccc1)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929906804 646369775 /nfs/dbraw/zinc/36/97/75/646369775.db2.gz YVPRGYNIUBSVHP-LLVKDONJSA-N 1 0 234.299 2.489 20 5 BEBDRO CC(C)[N@H+](CC[N+](=O)[O-])C1CCCCC1 ZINC000929951568 646377243 /nfs/dbraw/zinc/37/72/43/646377243.db2.gz XNYPCIOUQKXTOI-UHFFFAOYSA-N 1 0 214.309 2.306 20 5 BEBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000929964038 646379636 /nfs/dbraw/zinc/37/96/36/646379636.db2.gz UYRKDSJVAHDOJY-UHFFFAOYSA-N 1 0 242.706 2.441 20 5 BEBDRO C[C@H](c1ccco1)N(CC[N+](=O)[O-])C1CC1 ZINC000930024538 646398759 /nfs/dbraw/zinc/39/87/59/646398759.db2.gz TZMXRFZDUGVNFZ-SECBINFHSA-N 1 0 224.260 2.082 20 5 BEBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000229595575 711838390 /nfs/dbraw/zinc/83/83/90/711838390.db2.gz XDXGLHHMCIKQOG-VHSXEESVSA-N 1 0 235.287 2.147 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000229601274 711838507 /nfs/dbraw/zinc/83/85/07/711838507.db2.gz PPUULDLSJCBJQA-MNOVXSKESA-N 1 0 249.314 2.456 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC2)CC1 ZINC000886091795 712394207 /nfs/dbraw/zinc/39/42/07/712394207.db2.gz HFIMKVGQGJTUJN-UHFFFAOYSA-N 1 0 247.298 2.366 20 5 BEBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000719581242 712812405 /nfs/dbraw/zinc/81/24/05/712812405.db2.gz STWZSSHDSGYURB-BXKDBHETSA-N 1 0 235.287 2.099 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000719622532 712817364 /nfs/dbraw/zinc/81/73/64/712817364.db2.gz GHZUJQGDWKBOBW-GHMZBOCLSA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000719622230 712817652 /nfs/dbraw/zinc/81/76/52/712817652.db2.gz FPSUPCIAAHCQNW-GHMZBOCLSA-N 1 0 249.314 2.408 20 5 BEBDRO CC1(C)[C@@H]2C[C@@H](OCC[N+](C)(C)C)C[C@@H]21 ZINC001224772600 964935437 /nfs/dbraw/zinc/93/54/37/964935437.db2.gz AXMDEFBFLLNUSC-CNDDSTCGSA-N 1 0 212.357 2.144 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C1 ZINC001168961885 969312012 /nfs/dbraw/zinc/31/20/12/969312012.db2.gz KXVOFYDARGMWMK-DDHJBXDOSA-N 1 0 244.310 2.302 20 5 BEBDRO CC1CC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168961213 969313859 /nfs/dbraw/zinc/31/38/59/969313859.db2.gz IARULYZLYXGQJA-ADPBJBESSA-N 1 0 226.320 2.068 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCCCCC2)C1 ZINC001169009680 969334857 /nfs/dbraw/zinc/33/48/57/969334857.db2.gz XGRUKJQSHDQVLL-RYUDHWBXSA-N 1 0 226.320 2.308 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCCCCC2)C1 ZINC001169009679 969335451 /nfs/dbraw/zinc/33/54/51/969335451.db2.gz XGRUKJQSHDQVLL-NWDGAFQWSA-N 1 0 226.320 2.308 20 5 BEBDRO CC(C)c1ccc(O[C@H](C)C[N+](C)(C)C)nn1 ZINC001233885301 978723059 /nfs/dbraw/zinc/72/30/59/978723059.db2.gz DNFDDRJNIJACSY-LLVKDONJSA-N 1 0 238.355 2.074 20 5 BEBDRO Cc1ncccc1CO[C@@H](C)C[N+](C)(C)C ZINC001223350052 972999977 /nfs/dbraw/zinc/99/99/77/972999977.db2.gz WPEZDGIOZLBLCF-NSHDSACASA-N 1 0 223.340 2.001 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCC[Si](C)(C)C ZINC001224907523 974069684 /nfs/dbraw/zinc/06/96/84/974069684.db2.gz RPDVPKHXFXZCJV-LLVKDONJSA-N 1 0 218.437 2.436 20 5 BEBDRO C[C@H](OCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001217879664 971474261 /nfs/dbraw/zinc/47/42/61/971474261.db2.gz UQEISFQHUIMQOH-VIFPVBQESA-N 1 0 224.260 2.021 20 5 BEBDRO COc1ccc([N+](=O)[O-])cc1Nc1[nH+]ccn1C ZINC001210443328 957748374 /nfs/dbraw/zinc/74/83/74/957748374.db2.gz BYEQBNOONOVXLX-UHFFFAOYSA-N 1 0 248.242 2.081 20 5 BEBDRO CC(C)([NH3+])CNc1cc([N+](=O)[O-])ccc1Cl ZINC000309263044 959820814 /nfs/dbraw/zinc/82/08/14/959820814.db2.gz CFOJTWZEBSDLAD-UHFFFAOYSA-N 1 0 243.694 2.397 20 5 BEBDRO O=[N+]([O-])/C=C/c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218283633 959945878 /nfs/dbraw/zinc/94/58/78/959945878.db2.gz IPMQNNSGQBLFJK-XOVSCCBYSA-N 1 0 248.282 2.065 20 5 BEBDRO C[NH+](C)CCNc1cc([N+](=O)[O-])ccc1Cl ZINC001161669026 964676893 /nfs/dbraw/zinc/67/68/93/964676893.db2.gz WGAUJWHXDFPEDX-UHFFFAOYSA-N 1 0 243.694 2.222 20 5 BEBDRO C[N+](C)(C)CCO[C@H]1CCOc2ccccc21 ZINC001224775964 964938501 /nfs/dbraw/zinc/93/85/01/964938501.db2.gz QJAOGPDYKYYQNI-AWEZNQCLSA-N 1 0 236.335 2.233 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCCc1ccccc1 ZINC001205000018 967282468 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C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168975698 969324471 /nfs/dbraw/zinc/32/44/71/969324471.db2.gz WSABIYVPVHMZHB-WOPDTQHZSA-N 1 0 249.314 2.178 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC001168993552 969325590 /nfs/dbraw/zinc/32/55/90/969325590.db2.gz NDDCCAGDIPWDPJ-GHMZBOCLSA-N 1 0 238.331 2.354 20 5 BEBDRO CC1(C)CC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001655 969325941 /nfs/dbraw/zinc/32/59/41/969325941.db2.gz HEKNQJQQCSSXLI-CMPLNLGQSA-N 1 0 240.347 2.458 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC001168993554 969326957 /nfs/dbraw/zinc/32/69/57/969326957.db2.gz NDDCCAGDIPWDPJ-QWRGUYRKSA-N 1 0 238.331 2.354 20 5 BEBDRO CC1(F)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009486 969333828 /nfs/dbraw/zinc/33/38/28/969333828.db2.gz WMNQKCZNNHIXOF-QWRGUYRKSA-N 1 0 244.310 2.256 20 5 BEBDRO CC1(F)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009480 969335778 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240.347 2.410 20 5 BEBDRO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169019837 969360797 /nfs/dbraw/zinc/36/07/97/969360797.db2.gz JVDSKROXNDDULC-HBNTYKKESA-N 1 0 214.309 2.162 20 5 BEBDRO CC1(C)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026329 969363299 /nfs/dbraw/zinc/36/32/99/969363299.db2.gz KWRBLQVNESJQRZ-QWRGUYRKSA-N 1 0 226.320 2.164 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](CC2CC2)C2CC2)C1 ZINC001169048301 969366083 /nfs/dbraw/zinc/36/60/83/969366083.db2.gz UIKABFBBSUQUKV-YPMHNXCESA-N 1 0 238.331 2.306 20 5 BEBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169046851 969366430 /nfs/dbraw/zinc/36/64/30/969366430.db2.gz NTGXOOAQXJHDBB-SRVKXCTJSA-N 1 0 238.331 2.306 20 5 BEBDRO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054960 969370712 /nfs/dbraw/zinc/37/07/12/969370712.db2.gz OPTYYDGVSLOMEZ-UTUOFQBUSA-N 1 0 226.320 2.164 20 5 BEBDRO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054961 969372376 /nfs/dbraw/zinc/37/23/76/969372376.db2.gz OPTYYDGVSLOMEZ-WOPDTQHZSA-N 1 0 226.320 2.164 20 5 BEBDRO CC[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550820 969737332 /nfs/dbraw/zinc/73/73/32/969737332.db2.gz RPZIYSQEOANGKX-JTQLQIEISA-N 1 0 222.288 2.478 20 5 BEBDRO CC[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578132 969739703 /nfs/dbraw/zinc/73/97/03/969739703.db2.gz JRZCBGCVQWPRGW-CABZTGNLSA-N 1 0 234.299 2.450 20 5 BEBDRO CC1(C)C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596074 969742856 /nfs/dbraw/zinc/74/28/56/969742856.db2.gz BPKJDCIUZXIKQJ-CYBMUJFWSA-N 1 0 246.310 2.404 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC=CC1)C2 ZINC001254583690 969745752 /nfs/dbraw/zinc/74/57/52/969745752.db2.gz NRGVNKRRDYXXKL-CYBMUJFWSA-N 1 0 244.294 2.370 20 5 BEBDRO Cc1[nH+]cc(Nc2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001210395676 969883067 /nfs/dbraw/zinc/88/30/67/969883067.db2.gz AUHMSVUSJXLXHF-UHFFFAOYSA-N 1 0 248.242 2.086 20 5 BEBDRO Cc1ccc([N+](=O)[O-])cc1Nc1c[nH+]cn1C ZINC001211287937 970214796 /nfs/dbraw/zinc/21/47/96/970214796.db2.gz ZBCKDUOLJBYKDF-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO Cc1ccc(CO[C@H](C)C[N+](C)(C)C)cn1 ZINC001223268077 972907606 /nfs/dbraw/zinc/90/76/06/972907606.db2.gz XMVVFAINOKBZMC-GFCCVEGCSA-N 1 0 223.340 2.001 20 5 BEBDRO C[C@H](C[N+](C)(C)C)O[C@H](C)c1nccs1 ZINC001224010228 973406382 /nfs/dbraw/zinc/40/63/82/973406382.db2.gz ZWZVOJDVSRDWJH-NXEZZACHSA-N 1 0 229.369 2.315 20 5 BEBDRO C[N+](C)(C)CCCOCCOC1CCCC1 ZINC001224623641 973805033 /nfs/dbraw/zinc/80/50/33/973805033.db2.gz OONVPYWAUXLVSE-UHFFFAOYSA-N 1 0 230.372 2.059 20 5 BEBDRO C[C@H](OCC[N+](C)(C)C)c1cccnc1F ZINC001224776257 973944560 /nfs/dbraw/zinc/94/45/60/973944560.db2.gz UAZOROJWKDWTEX-JTQLQIEISA-N 1 0 227.303 2.005 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(N(C)C)c1 ZINC001225235488 974285744 /nfs/dbraw/zinc/28/57/44/974285744.db2.gz TYSQAOSFIMKUOZ-GFCCVEGCSA-N 1 0 237.367 2.226 20 5 BEBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001225254818 974314663 /nfs/dbraw/zinc/31/46/63/974314663.db2.gz MPSQLVKZLZMFSX-LLVKDONJSA-N 1 0 224.324 2.169 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(F)c1 ZINC001225313807 974390451 /nfs/dbraw/zinc/39/04/51/974390451.db2.gz RKTANVRYYGXQBM-SECBINFHSA-N 1 0 230.278 2.438 20 5 BEBDRO COc1cc(C)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225338053 974413673 /nfs/dbraw/zinc/41/36/73/974413673.db2.gz SRQGTSRFYOCMSP-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO C[C@@H](C[NH+](C)C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225381758 974457263 /nfs/dbraw/zinc/45/72/63/974457263.db2.gz HLEAUWWZVLBWEJ-QMMMGPOBSA-N 1 0 242.250 2.063 20 5 BEBDRO CC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001225573741 974560790 /nfs/dbraw/zinc/56/07/90/974560790.db2.gz IYNFIPJSWZCQTA-NSHDSACASA-N 1 0 236.335 2.363 20 5 BEBDRO C[C@@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794292 974684280 /nfs/dbraw/zinc/68/42/80/974684280.db2.gz MIAPKLSVCMIRSH-QMMMGPOBSA-N 1 0 242.250 2.063 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cccc1F ZINC001225799107 974687395 /nfs/dbraw/zinc/68/73/95/974687395.db2.gz VEPBZSIOSGHCLP-VIFPVBQESA-O 1 0 228.287 2.005 20 5 BEBDRO C[C@@H](C[NH+](C)C)Oc1c(F)cccc1[N+](=O)[O-] ZINC001226006589 974760818 /nfs/dbraw/zinc/76/08/18/974760818.db2.gz GWZYKJOZQHMLHO-QMMMGPOBSA-N 1 0 242.250 2.063 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cnccc1Cl ZINC001226294258 974847374 /nfs/dbraw/zinc/84/73/74/974847374.db2.gz QFIXKLGLKOXTAW-VIFPVBQESA-N 1 0 229.731 2.209 20 5 BEBDRO C[NH+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909168 974961792 /nfs/dbraw/zinc/96/17/92/974961792.db2.gz PMXOVMDCQPINFH-GFCCVEGCSA-N 1 0 234.299 2.404 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc([N+](=O)[O-])c1 ZINC001226763435 975063146 /nfs/dbraw/zinc/06/31/46/975063146.db2.gz TUOJUYFFRYKCRF-JTQLQIEISA-N 1 0 239.295 2.068 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC1 ZINC001173217318 975068658 /nfs/dbraw/zinc/06/86/58/975068658.db2.gz SXSMPHDOHIMGJF-VIFPVBQESA-N 1 0 220.272 2.278 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCF ZINC001173215387 975070343 /nfs/dbraw/zinc/07/03/43/975070343.db2.gz VWKSKPVBVMVQJB-SECBINFHSA-N 1 0 226.251 2.085 20 5 BEBDRO COc1cc(F)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226882280 975135798 /nfs/dbraw/zinc/13/57/98/975135798.db2.gz BKLKOPSJZAIKOC-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]cnc2c1 ZINC001226930252 975160588 /nfs/dbraw/zinc/16/05/88/975160588.db2.gz QQUTWZCLSDMIGG-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(cnn2C)c1 ZINC001226940102 975167895 /nfs/dbraw/zinc/16/78/95/975167895.db2.gz PIELGXQZHYGEDG-NSHDSACASA-N 1 0 248.350 2.047 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1Cl ZINC001227117924 975273988 /nfs/dbraw/zinc/27/39/88/975273988.db2.gz LHUFJHWCYLTCFE-VIFPVBQESA-N 1 0 229.731 2.209 20 5 BEBDRO C[NH+]1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227482681 975466279 /nfs/dbraw/zinc/46/62/79/975466279.db2.gz KSVLOPGKFZBKPV-UHFFFAOYSA-N 1 0 236.271 2.068 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)ccc1F ZINC001227881391 975761910 /nfs/dbraw/zinc/76/19/10/975761910.db2.gz AQRSNPZNGSYLQT-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO CCC[N@H+](CCc1cccs1)CC[N+](=O)[O-] ZINC001334075624 976281562 /nfs/dbraw/zinc/28/15/62/976281562.db2.gz GFMGUSYZYKQYCF-UHFFFAOYSA-N 1 0 242.344 2.279 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H](C)C[NH+](C)C ZINC001228916708 976580327 /nfs/dbraw/zinc/58/03/27/976580327.db2.gz YVJUVLWFOBWIKW-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]ccc2n1 ZINC001228985820 976609172 /nfs/dbraw/zinc/60/91/72/976609172.db2.gz MTVPZWMAHPPDHI-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC001335471006 977080970 /nfs/dbraw/zinc/08/09/70/977080970.db2.gz XCPKAMAPOIEJSH-HBIQZDMRSA-N 1 0 226.320 2.068 20 5 BEBDRO Cc1ccc(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001230144545 977118560 /nfs/dbraw/zinc/11/85/60/977118560.db2.gz WXDPRXABBVNYCP-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nn(C)c2ccccc21 ZINC001230625923 977282083 /nfs/dbraw/zinc/28/20/83/977282083.db2.gz XQNYBAFJJJTYHT-NSHDSACASA-N 1 0 248.350 2.047 20 5 BEBDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]CC[N+](=O)[O-] ZINC001120503728 989689122 /nfs/dbraw/zinc/68/91/22/989689122.db2.gz XMKDUPLNYLOWFT-GFCCVEGCSA-N 1 0 240.278 2.013 20 5 BEBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001262257257 992823248 /nfs/dbraw/zinc/82/32/48/992823248.db2.gz GKTQDEDOKQAJEQ-MNOVXSKESA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000021507153 1170166462 /nfs/dbraw/zinc/16/64/62/1170166462.db2.gz KEKAKWCALVYDJJ-CYBMUJFWSA-N 1 0 247.298 2.101 20 5 BEBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000037647820 178167659 /nfs/dbraw/zinc/16/76/59/178167659.db2.gz XWTUIIYNLNDCLR-NSHDSACASA-N 1 0 249.314 2.267 20 5 BEBDRO C[C@H]1C[C@H]1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000488446665 398270953 /nfs/dbraw/zinc/27/09/53/398270953.db2.gz HLYLZRUUEXJBDX-JQWIXIFHSA-N 1 0 234.299 2.383 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000050015512 398332280 /nfs/dbraw/zinc/33/22/80/398332280.db2.gz NJSQSAYKQVJSSA-SNVBAGLBSA-N 1 0 238.312 2.190 20 5 BEBDRO Cc1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043326461 343051419 /nfs/dbraw/zinc/05/14/19/343051419.db2.gz PTQDRLUCCUWJQM-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)cc1 ZINC000049575289 343603369 /nfs/dbraw/zinc/60/33/69/343603369.db2.gz UJHNFVXZIMVTHN-UHFFFAOYSA-N 1 0 249.314 2.493 20 5 BEBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000334238735 343842920 /nfs/dbraw/zinc/84/29/20/343842920.db2.gz KBUHSYAZJJFKRQ-YUMQZZPRSA-N 1 0 226.301 2.497 20 5 BEBDRO Cn1cccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050596341 344716975 /nfs/dbraw/zinc/71/69/75/344716975.db2.gz FAROSZIUTAVDLA-UHFFFAOYSA-N 1 0 245.282 2.223 20 5 BEBDRO C[N@@H+]1CCC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000309484388 347074913 /nfs/dbraw/zinc/07/49/13/347074913.db2.gz UUIVQPUSYWUDKT-MRVPVSSYSA-N 1 0 241.316 2.162 20 5 BEBDRO Cc1ccc(N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000229608444 178772819 /nfs/dbraw/zinc/77/28/19/178772819.db2.gz KCFFFUUTGVUPHG-GHMZBOCLSA-N 1 0 249.314 2.456 20 5 BEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044417208 345056245 /nfs/dbraw/zinc/05/62/45/345056245.db2.gz XJUODRYPTRWSCP-LLVKDONJSA-N 1 0 247.298 2.243 20 5 BEBDRO CC(C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289894670 345568050 /nfs/dbraw/zinc/56/80/50/345568050.db2.gz TXLOMOPQXTVRCD-UHFFFAOYSA-N 1 0 237.303 2.016 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000132442130 178928880 /nfs/dbraw/zinc/92/88/80/178928880.db2.gz JGKDJGZAOOPACP-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000235932425 179144071 /nfs/dbraw/zinc/14/40/71/179144071.db2.gz QWZOIEBSJAWKTR-UHFFFAOYSA-N 1 0 235.287 2.197 20 5 BEBDRO Cc1cccc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000218841771 179144895 /nfs/dbraw/zinc/14/48/95/179144895.db2.gz FQUSBPKLFBJVHU-UHFFFAOYSA-N 1 0 249.314 2.411 20 5 BEBDRO Cc1cccc(NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235938199 179146297 /nfs/dbraw/zinc/14/62/97/179146297.db2.gz WLRZTCXJTRKRQJ-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO CC[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264670372 347285097 /nfs/dbraw/zinc/28/50/97/347285097.db2.gz UDJJFXPFXDIIRK-UHFFFAOYSA-N 1 0 249.314 2.127 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)[NH+](C)C ZINC000158656167 179206242 /nfs/dbraw/zinc/20/62/42/179206242.db2.gz LXKCMHTXYMEJHW-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H](C[NH3+])C[C@H]1C ZINC000228084111 179206451 /nfs/dbraw/zinc/20/64/51/179206451.db2.gz SZJZCFUPDACMRR-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC(C)(C)[NH3+] ZINC000125760359 179206506 /nfs/dbraw/zinc/20/65/06/179206506.db2.gz XMOHDNSWMPKFCA-UHFFFAOYSA-N 1 0 223.276 2.052 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[NH2+][C@H]1C ZINC000229609097 179207012 /nfs/dbraw/zinc/20/70/12/179207012.db2.gz BLAUGTNPRBFMIE-WDEREUQCSA-N 1 0 249.314 2.456 20 5 BEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC1 ZINC000595009673 348159234 /nfs/dbraw/zinc/15/92/34/348159234.db2.gz ZJWLACHDCACHJO-MRVPVSSYSA-N 1 0 236.271 2.416 20 5 BEBDRO Cc1noc(CN(C)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000595293084 348215522 /nfs/dbraw/zinc/21/55/22/348215522.db2.gz XXHHJPZMVVDGNM-QMMMGPOBSA-N 1 0 239.275 2.122 20 5 BEBDRO CC[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595338211 348220573 /nfs/dbraw/zinc/22/05/73/348220573.db2.gz HLUVSKSRXDUHJY-VIFPVBQESA-N 1 0 239.275 2.123 20 5 BEBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595419008 348244789 /nfs/dbraw/zinc/24/47/89/348244789.db2.gz VYRUOOWAGZYVBO-JGVFFNPUSA-N 1 0 241.291 2.415 20 5 BEBDRO Cc1noc(C[NH2+][C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000595561348 348281315 /nfs/dbraw/zinc/28/13/15/348281315.db2.gz AFGNKTJTSQUWHZ-MRVPVSSYSA-N 1 0 241.291 2.415 20 5 BEBDRO Cc1cc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596075259 348438759 /nfs/dbraw/zinc/43/87/59/348438759.db2.gz KLOGKUGUZYHABG-ZETCQYMHSA-N 1 0 243.332 2.327 20 5 BEBDRO O=[N+]([O-])c1sccc1NCC[NH+]1CCCC1 ZINC000033901269 350166278 /nfs/dbraw/zinc/16/62/78/350166278.db2.gz OMOVMGLPWQZGGD-UHFFFAOYSA-N 1 0 241.316 2.164 20 5 BEBDRO COCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000051383335 350663821 /nfs/dbraw/zinc/66/38/21/350663821.db2.gz BJSYYYVQQPWWAI-UHFFFAOYSA-N 1 0 238.287 2.063 20 5 BEBDRO Cc1cccc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000235895692 350725268 /nfs/dbraw/zinc/72/52/68/350725268.db2.gz IOPSOJFFGFJCEI-LLVKDONJSA-N 1 0 249.314 2.457 20 5 BEBDRO C[C@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343454563 350970909 /nfs/dbraw/zinc/97/09/09/350970909.db2.gz IOIIAXKYKKVRJN-QWRGUYRKSA-N 1 0 249.314 2.489 20 5 BEBDRO CCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000063755630 356425049 /nfs/dbraw/zinc/42/50/49/356425049.db2.gz DYWYVIFIYSMWMB-UHFFFAOYSA-N 1 0 238.287 2.315 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CC2)cc1 ZINC000035677541 358087855 /nfs/dbraw/zinc/08/78/55/358087855.db2.gz CXVMNZUKDZOGPR-UHFFFAOYSA-N 1 0 220.272 2.137 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CC1 ZINC000020037511 358223111 /nfs/dbraw/zinc/22/31/11/358223111.db2.gz YZMULGOAZDPYJI-UHFFFAOYSA-N 1 0 206.245 2.094 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000451190951 202377134 /nfs/dbraw/zinc/37/71/34/202377134.db2.gz QUJDLIWEBWXJLD-LLVKDONJSA-N 1 0 238.262 2.181 20 5 BEBDRO C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795058 360089245 /nfs/dbraw/zinc/08/92/45/360089245.db2.gz GWHFYDWMNAZFDJ-GHMZBOCLSA-N 1 0 249.314 2.489 20 5 BEBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000236189411 181332197 /nfs/dbraw/zinc/33/21/97/181332197.db2.gz GMKHBXKUJCOCOG-UHFFFAOYSA-N 1 0 239.250 2.027 20 5 BEBDRO [NH3+]C1(CNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000236187632 181332874 /nfs/dbraw/zinc/33/28/74/181332874.db2.gz KMHHGSSZNRMAJT-UHFFFAOYSA-N 1 0 239.250 2.027 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000037668265 364461407 /nfs/dbraw/zinc/46/14/07/364461407.db2.gz KHICAKIMOFQTMI-SNVBAGLBSA-N 1 0 238.312 2.190 20 5 BEBDRO CC[C@H]([NH2+]CC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000602804504 371842091 /nfs/dbraw/zinc/84/20/91/371842091.db2.gz INHWWQKBBLHVJH-LBPRGKRZSA-N 1 0 236.271 2.225 20 5 BEBDRO CC(C)(Nc1ncccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000603407169 371890758 /nfs/dbraw/zinc/89/07/58/371890758.db2.gz PDPXPXYGFYSZHQ-UHFFFAOYSA-N 1 0 247.258 2.060 20 5 BEBDRO CC(C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066865368 372570542 /nfs/dbraw/zinc/57/05/42/372570542.db2.gz SZGXKUOZMUGBDX-UHFFFAOYSA-N 1 0 249.314 2.125 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[C@@H]1CC[NH2+]C1 ZINC000104353370 182950937 /nfs/dbraw/zinc/95/09/37/182950937.db2.gz YJYLRPUNHPFHOQ-JTQLQIEISA-N 1 0 235.287 2.006 20 5 BEBDRO CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000001666798 169261677 /nfs/dbraw/zinc/26/16/77/169261677.db2.gz ODYUCBYYPNQUGB-UHFFFAOYSA-N 1 0 208.261 2.137 20 5 BEBDRO COCC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015650 383889429 /nfs/dbraw/zinc/88/94/29/383889429.db2.gz FSPJNXPNZSZPAY-JTQLQIEISA-N 1 0 238.287 2.109 20 5 BEBDRO CS[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000128006316 384081896 /nfs/dbraw/zinc/08/18/96/384081896.db2.gz WYBXSJREBNWEPN-SECBINFHSA-N 1 0 240.328 2.436 20 5 BEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000229884784 384281431 /nfs/dbraw/zinc/28/14/31/384281431.db2.gz KQVFFNLOMRJQFG-SECBINFHSA-N 1 0 246.270 2.169 20 5 BEBDRO C[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000098005652 384455893 /nfs/dbraw/zinc/45/58/93/384455893.db2.gz MZPQHGRQDJKGOM-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[C@@H](COC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000079713394 384511807 /nfs/dbraw/zinc/51/18/07/384511807.db2.gz BXJCCDSXDHQOAR-NSHDSACASA-N 1 0 238.287 2.109 20 5 BEBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000049937514 384577427 /nfs/dbraw/zinc/57/74/27/384577427.db2.gz UXQAOKUWAILJTQ-UHFFFAOYSA-N 1 0 241.266 2.098 20 5 BEBDRO CC(C)[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000301989498 384950270 /nfs/dbraw/zinc/95/02/70/384950270.db2.gz MDWVQPAGUOANGH-UHFFFAOYSA-N 1 0 243.332 2.408 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136337061 385030788 /nfs/dbraw/zinc/03/07/88/385030788.db2.gz SAWVAPKGXLSWMW-KOLCDFICSA-N 1 0 220.272 2.340 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000136336894 385031599 /nfs/dbraw/zinc/03/15/99/385031599.db2.gz RDBPKBUCUDQPJN-KOLCDFICSA-N 1 0 220.272 2.340 20 5 BEBDRO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052272241 385715289 /nfs/dbraw/zinc/71/52/89/385715289.db2.gz XTHBXAHCYVEIQS-KCJUWKMLSA-N 1 0 206.245 2.093 20 5 BEBDRO CN(CC(C)(C)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000093874553 385971594 /nfs/dbraw/zinc/97/15/94/385971594.db2.gz BASJUUHWKSWJLX-UHFFFAOYSA-N 1 0 237.303 2.016 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]ccn1C ZINC000414305602 386473310 /nfs/dbraw/zinc/47/33/10/386473310.db2.gz QCLWMZNDIGTSGI-UHFFFAOYSA-N 1 0 246.270 2.249 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(F)(F)C1 ZINC000277651793 386455503 /nfs/dbraw/zinc/45/55/03/386455503.db2.gz MZULPBGICBCEOX-UHFFFAOYSA-N 1 0 242.225 2.482 20 5 BEBDRO C[C@@H]([NH2+]CC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085983477 386695392 /nfs/dbraw/zinc/69/53/92/386695392.db2.gz PVCVJONDNOHIJM-VHSXEESVSA-N 1 0 238.287 2.016 20 5 BEBDRO C[NH+](C)C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000268107586 386853162 /nfs/dbraw/zinc/85/31/62/386853162.db2.gz DJCOMFGGPORUMN-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000111237584 387071967 /nfs/dbraw/zinc/07/19/67/387071967.db2.gz WJJXYUZTGQPDTB-JTQLQIEISA-N 1 0 235.287 2.006 20 5 BEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163248319 388373707 /nfs/dbraw/zinc/37/37/07/388373707.db2.gz MBBFYFZPWXSQOM-VHSXEESVSA-N 1 0 238.287 2.108 20 5 BEBDRO C[N@H+]1CC=C(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000271864596 388409755 /nfs/dbraw/zinc/40/97/55/388409755.db2.gz QTZCPXUCRCWAPR-UHFFFAOYSA-N 1 0 247.298 2.269 20 5 BEBDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122896495 388581796 /nfs/dbraw/zinc/58/17/96/388581796.db2.gz PZFJXPYCVXTCSQ-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H](CF)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329510 388748183 /nfs/dbraw/zinc/74/81/83/388748183.db2.gz IHJLONUJOXFSPP-NXEZZACHSA-N 1 0 240.278 2.473 20 5 BEBDRO COc1ccc(C[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424185146 388694593 /nfs/dbraw/zinc/69/45/93/388694593.db2.gz OJEAAQOFRCBIDS-GFCCVEGCSA-N 1 0 248.282 2.246 20 5 BEBDRO C[C@@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193276850 388842156 /nfs/dbraw/zinc/84/21/56/388842156.db2.gz OWFIASHOLMXJOZ-SNVBAGLBSA-N 1 0 238.287 2.018 20 5 BEBDRO C[C@@H]([NH2+]CCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000193281556 388843070 /nfs/dbraw/zinc/84/30/70/388843070.db2.gz KILZKEZQABAKEC-SNVBAGLBSA-N 1 0 238.287 2.018 20 5 BEBDRO CC(C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153144603 388942892 /nfs/dbraw/zinc/94/28/92/388942892.db2.gz CXCXFYRZIRJOJK-UHFFFAOYSA-N 1 0 220.272 2.361 20 5 BEBDRO Cc1cccc(N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000235924635 132302290 /nfs/dbraw/zinc/30/22/90/132302290.db2.gz WCBHPXWITAVBFJ-NSHDSACASA-N 1 0 249.314 2.078 20 5 BEBDRO Cc1cccc(N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000235927186 132427999 /nfs/dbraw/zinc/42/79/99/132427999.db2.gz KKSHZLXYEKNFES-UHFFFAOYSA-N 1 0 249.314 2.091 20 5 BEBDRO CC(C)([NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168398748 134875306 /nfs/dbraw/zinc/87/53/06/134875306.db2.gz XQHFRSYXCCAKIZ-UHFFFAOYSA-N 1 0 243.694 2.397 20 5 BEBDRO Cc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000261550433 135188959 /nfs/dbraw/zinc/18/89/59/135188959.db2.gz MYQVAZYVHOIDFV-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163947618 135211678 /nfs/dbraw/zinc/21/16/78/135211678.db2.gz RGBRYCFBOOWULH-MNOVXSKESA-N 1 0 249.314 2.016 20 5 BEBDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261578624 135220151 /nfs/dbraw/zinc/22/01/51/135220151.db2.gz LUXDROWWDMUEKH-RQJHMYQMSA-N 1 0 243.694 2.396 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc[nH]c2)cc1 ZINC000080773909 135385042 /nfs/dbraw/zinc/38/50/42/135385042.db2.gz AJOHGGIDDDYNCW-UHFFFAOYSA-N 1 0 245.282 2.255 20 5 BEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC1CC1)CC2 ZINC000347785321 136009855 /nfs/dbraw/zinc/00/98/55/136009855.db2.gz CLVAAGOWWWMGBS-UHFFFAOYSA-N 1 0 247.298 2.148 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H]2C(F)F)cs1 ZINC000348220277 136047323 /nfs/dbraw/zinc/04/73/23/136047323.db2.gz NCNXOLHEQSTYCF-RQJHMYQMSA-N 1 0 248.254 2.400 20 5 BEBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000136402922 397734722 /nfs/dbraw/zinc/73/47/22/397734722.db2.gz AUQIAOGYJKKUBM-MWLCHTKSSA-N 1 0 220.272 2.340 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)c1 ZINC000094659453 411169969 /nfs/dbraw/zinc/16/99/69/411169969.db2.gz QJRFEIADBVISMT-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO CCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000453606394 411403104 /nfs/dbraw/zinc/40/31/04/411403104.db2.gz PWGFHSNZNCOEEE-UHFFFAOYSA-N 1 0 220.272 2.437 20 5 BEBDRO CC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196127 171453997 /nfs/dbraw/zinc/45/39/97/171453997.db2.gz VQNBKJNGZYFVNN-MWLCHTKSSA-N 1 0 238.287 2.016 20 5 BEBDRO C[NH+](C)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286909083 172444424 /nfs/dbraw/zinc/44/44/24/172444424.db2.gz KDERUKICNJWPRJ-UHFFFAOYSA-N 1 0 241.266 2.098 20 5 BEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044526271 172986820 /nfs/dbraw/zinc/98/68/20/172986820.db2.gz SHUWTABKVXIDMV-UHFFFAOYSA-N 1 0 249.314 2.349 20 5 BEBDRO C[NH2+]C(C)(C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000269982776 173319632 /nfs/dbraw/zinc/31/96/32/173319632.db2.gz RJTGRAQGCPPWCI-UHFFFAOYSA-N 1 0 241.266 2.144 20 5 BEBDRO C[NH2+]C[C@H]1CCCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000133288986 173380785 /nfs/dbraw/zinc/38/07/85/173380785.db2.gz XXTOJHGWAWGFRE-LLVKDONJSA-N 1 0 249.314 2.091 20 5 BEBDRO COc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000021518875 175105596 /nfs/dbraw/zinc/10/55/96/175105596.db2.gz GXSRNRYCWDQEMY-UHFFFAOYSA-N 1 0 224.260 2.101 20 5 BEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH3+])C1 ZINC000041027921 176026910 /nfs/dbraw/zinc/02/69/10/176026910.db2.gz ACGGEVIZFILDLD-QWRGUYRKSA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000309331557 177207632 /nfs/dbraw/zinc/20/76/32/177207632.db2.gz SLYMTFVZDCWPEP-GXSJLCMTSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000229595584 177396442 /nfs/dbraw/zinc/39/64/42/177396442.db2.gz XDXGLHHMCIKQOG-NXEZZACHSA-N 1 0 235.287 2.147 20 5 BEBDRO Cc1cc(NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000397987106 262941784 /nfs/dbraw/zinc/94/17/84/262941784.db2.gz VFJMFLAUAONYLO-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO CO[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428312 518118158 /nfs/dbraw/zinc/11/81/58/518118158.db2.gz BNCARZSGVCFWNJ-ZJUUUORDSA-N 1 0 238.287 2.280 20 5 BEBDRO C[NH2+][C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000261545643 536344487 /nfs/dbraw/zinc/34/44/87/536344487.db2.gz GETIHPLBFHRMLL-QMMMGPOBSA-N 1 0 241.266 2.062 20 5 BEBDRO C[NH2+][C@H](C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000261561823 536404448 /nfs/dbraw/zinc/40/44/48/536404448.db2.gz AWSVYRPDCGOWSA-SSDOTTSWSA-N 1 0 243.694 2.268 20 5 BEBDRO C[NH2+][C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000261545642 536404294 /nfs/dbraw/zinc/40/42/94/536404294.db2.gz GETIHPLBFHRMLL-MRVPVSSYSA-N 1 0 241.266 2.062 20 5 BEBDRO Cc1cc(NC[C@@H]2CCN2C)c([N+](=O)[O-])s1 ZINC000895769096 583724134 /nfs/dbraw/zinc/72/41/34/583724134.db2.gz OAOMGKWJDWXNEO-QMMMGPOBSA-N 1 0 241.316 2.081 20 5 BEBDRO CCCCCC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000899858827 584242610 /nfs/dbraw/zinc/24/26/10/584242610.db2.gz CKFHSVCSRQYSFS-SNVBAGLBSA-N 1 0 202.298 2.212 20 5 BEBDRO COc1cc([C@H](C)[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000903056426 584722440 /nfs/dbraw/zinc/72/24/40/584722440.db2.gz URGNJDHUXRFERR-QMMMGPOBSA-N 1 0 236.271 2.416 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761100158 584910080 /nfs/dbraw/zinc/91/00/80/584910080.db2.gz YCKARXPVZKTQLE-JOYOIKCWSA-N 1 0 218.256 2.189 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761100162 584910135 /nfs/dbraw/zinc/91/01/35/584910135.db2.gz YCKARXPVZKTQLE-SKDRFNHKSA-N 1 0 218.256 2.189 20 5 BEBDRO C[C@H]1CCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000742427323 585126106 /nfs/dbraw/zinc/12/61/06/585126106.db2.gz HPYLCRZEDICJFZ-NSHDSACASA-N 1 0 249.314 2.491 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761093626 585408454 /nfs/dbraw/zinc/40/84/54/585408454.db2.gz OKAYMNBJIVQEBR-CMPLNLGQSA-N 1 0 218.256 2.189 20 5 BEBDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000761100109 585409040 /nfs/dbraw/zinc/40/90/40/585409040.db2.gz YHQCMWBPIDXZOJ-MNOVXSKESA-N 1 0 248.282 2.198 20 5 BEBDRO C[N@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1 ZINC000766863740 585508777 /nfs/dbraw/zinc/50/87/77/585508777.db2.gz FELHEIFXTTXHNU-UHFFFAOYSA-N 1 0 226.251 2.386 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000791051361 585972637 /nfs/dbraw/zinc/97/26/37/585972637.db2.gz BKTDKQHCZMILMX-LBPRGKRZSA-N 1 0 224.304 2.085 20 5 BEBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054151 585973185 /nfs/dbraw/zinc/97/31/85/585973185.db2.gz XZPMCYOGZQNPIN-OLZOCXBDSA-N 1 0 248.326 2.450 20 5 BEBDRO CC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809735992 586515289 /nfs/dbraw/zinc/51/52/89/586515289.db2.gz BZJGTYQPBLZDOG-UHFFFAOYSA-N 1 0 249.314 2.160 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH2+]C(C)(C)C1 ZINC000212763438 591427672 /nfs/dbraw/zinc/42/76/72/591427672.db2.gz CVWVKWIXVOBFRZ-UHFFFAOYSA-N 1 0 249.314 2.091 20 5 BEBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885985401 592122347 /nfs/dbraw/zinc/12/23/47/592122347.db2.gz HCMYKTAAAPNCPW-UHFFFAOYSA-N 1 0 235.287 2.364 20 5 BEBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886014878 592131055 /nfs/dbraw/zinc/13/10/55/592131055.db2.gz QZXAOFNQLOVOKW-UHFFFAOYSA-N 1 0 235.287 2.364 20 5 BEBDRO CC1(C)[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886021495 592133825 /nfs/dbraw/zinc/13/38/25/592133825.db2.gz XOHOLXHPPXWKTM-PHIMTYICSA-N 1 0 247.298 2.078 20 5 BEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346693 592213598 /nfs/dbraw/zinc/21/35/98/592213598.db2.gz OMOJEQSEOVZTLJ-PHIMTYICSA-N 1 0 248.282 2.055 20 5 BEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526260 631729508 /nfs/dbraw/zinc/72/95/08/631729508.db2.gz WZOJXYBOOKAPFR-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000309383818 632018402 /nfs/dbraw/zinc/01/84/02/632018402.db2.gz DSOOHGMIUVMWRV-QWRGUYRKSA-N 1 0 222.288 2.045 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000229601290 632980953 /nfs/dbraw/zinc/98/09/53/632980953.db2.gz PPUULDLSJCBJQA-GHMZBOCLSA-N 1 0 249.314 2.456 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000930741910 634080414 /nfs/dbraw/zinc/08/04/14/634080414.db2.gz BTJCXFSTZWSOSG-QWRGUYRKSA-N 1 0 228.336 2.410 20 5 BEBDRO Cc1ccccc1C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905086535 637584637 /nfs/dbraw/zinc/58/46/37/637584637.db2.gz DHVFKLKHKKOMEP-UHFFFAOYSA-N 1 0 236.315 2.139 20 5 BEBDRO O=[N+]([O-])CC[NH2+]CCCCCc1ccccc1 ZINC000905089337 637587030 /nfs/dbraw/zinc/58/70/30/637587030.db2.gz OECVEDAYNWEDNF-UHFFFAOYSA-N 1 0 236.315 2.266 20 5 BEBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905091933 637598859 /nfs/dbraw/zinc/59/88/59/637598859.db2.gz ARZCELKQDCTJKT-MNOVXSKESA-N 1 0 214.309 2.068 20 5 BEBDRO Cc1ccc(C[C@H](C)[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000905107177 637616417 /nfs/dbraw/zinc/61/64/17/637616417.db2.gz VWLBYZIIXQAGSA-LBPRGKRZSA-N 1 0 236.315 2.101 20 5 BEBDRO CSc1cc(C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905161948 637674507 /nfs/dbraw/zinc/67/45/07/637674507.db2.gz VKPRBXRUKNGYNR-UHFFFAOYSA-N 1 0 240.328 2.083 20 5 BEBDRO CC1(C)C[C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905178263 637684887 /nfs/dbraw/zinc/68/48/87/637684887.db2.gz UQTMNSLWWRQBLA-GFCCVEGCSA-N 1 0 234.299 2.275 20 5 BEBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905216124 637700116 /nfs/dbraw/zinc/70/01/16/637700116.db2.gz QHZGFNSJGNYUAM-VXGBXAGGSA-N 1 0 228.336 2.458 20 5 BEBDRO Cc1ccc2c(c1)[C@H]([NH2+]CC[N+](=O)[O-])CCC2 ZINC000905264779 637716797 /nfs/dbraw/zinc/71/67/97/637716797.db2.gz YJGDFPFLJJUJFO-CYBMUJFWSA-N 1 0 234.299 2.239 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000905272137 637729604 /nfs/dbraw/zinc/72/96/04/637729604.db2.gz FXPJCKLBLNKDKH-GFCCVEGCSA-N 1 0 238.262 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000930238216 639645119 /nfs/dbraw/zinc/64/51/19/639645119.db2.gz CPCVDCUXYCKBJU-LBPRGKRZSA-N 1 0 220.272 2.004 20 5 BEBDRO CC1(C)CN(CC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000930492844 639781926 /nfs/dbraw/zinc/78/19/26/639781926.db2.gz KEFYRWKDWHMJOF-SNVBAGLBSA-N 1 0 240.328 2.408 20 5 BEBDRO Cc1cccc2c1CC(C)(C)[N@H+](CC[N+](=O)[O-])C2 ZINC000930607298 639818524 /nfs/dbraw/zinc/81/85/24/639818524.db2.gz GEZYZYYUEPLQDK-UHFFFAOYSA-N 1 0 248.326 2.408 20 5 BEBDRO Cc1ccccc1C1([NH2+]CC[N+](=O)[O-])CCC1 ZINC000930842765 639942170 /nfs/dbraw/zinc/94/21/70/639942170.db2.gz IXQNUQWRZGYELR-UHFFFAOYSA-N 1 0 234.299 2.241 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000929129640 645961709 /nfs/dbraw/zinc/96/17/09/645961709.db2.gz LUUHEJQMGBKFBB-CYBMUJFWSA-N 1 0 234.299 2.273 20 5 BEBDRO CC(C)(CCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000929501436 646153983 /nfs/dbraw/zinc/15/39/83/646153983.db2.gz RHUMMGZEIMWWFU-UHFFFAOYSA-N 1 0 236.315 2.264 20 5 BEBDRO CC(C)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929651014 646221419 /nfs/dbraw/zinc/22/14/19/646221419.db2.gz BKGISYIYXUAPHU-LLVKDONJSA-N 1 0 214.309 2.021 20 5 BEBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929768383 646295938 /nfs/dbraw/zinc/29/59/38/646295938.db2.gz JEIIBVPDJPVCBI-GXTWGEPZSA-N 1 0 248.326 2.216 20 5 BEBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929811634 646332711 /nfs/dbraw/zinc/33/27/11/646332711.db2.gz BZCJMWFANPCFAN-DGCLKSJQSA-N 1 0 234.299 2.141 20 5 BEBDRO CC(C)C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929836599 646352915 /nfs/dbraw/zinc/35/29/15/646352915.db2.gz VIHZEXKUFIEWNT-NSHDSACASA-N 1 0 214.309 2.021 20 5 BEBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929855284 646361147 /nfs/dbraw/zinc/36/11/47/646361147.db2.gz QDEUUMFKSPDVOW-GHMZBOCLSA-N 1 0 214.309 2.164 20 5 BEBDRO C[C@]1([NH2+]CC[N+](=O)[O-])CCCc2ccccc21 ZINC000929970924 646383247 /nfs/dbraw/zinc/38/32/47/646383247.db2.gz JMQGMUFONPUCJM-ZDUSSCGKSA-N 1 0 234.299 2.104 20 5 BEBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930005545 646392332 /nfs/dbraw/zinc/39/23/32/646392332.db2.gz MKPCZQJYHSSDMA-QWRGUYRKSA-N 1 0 214.309 2.164 20 5 BEBDRO CC(C)C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930029314 646400533 /nfs/dbraw/zinc/40/05/33/646400533.db2.gz OBGLWODBWUZSPB-NSHDSACASA-N 1 0 214.309 2.164 20 5 BEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000754079495 712406183 /nfs/dbraw/zinc/40/61/83/712406183.db2.gz JDSDMGDCEMFGTJ-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712595128 712436373 /nfs/dbraw/zinc/43/63/73/712436373.db2.gz PCXOBUIPAKDCQU-LBPRGKRZSA-N 1 0 235.287 2.101 20 5 BEBDRO Cc1cccc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000712603158 712436695 /nfs/dbraw/zinc/43/66/95/712436695.db2.gz FHMGFSVAEBUSTL-SNVBAGLBSA-N 1 0 235.287 2.019 20 5 BEBDRO Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000719622231 712817348 /nfs/dbraw/zinc/81/73/48/712817348.db2.gz FPSUPCIAAHCQNW-MNOVXSKESA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719622504 712817443 /nfs/dbraw/zinc/81/74/43/712817443.db2.gz FTJQZEHSAYWDRS-QWRGUYRKSA-N 1 0 249.314 2.408 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cn1 ZINC001225276124 961991382 /nfs/dbraw/zinc/99/13/82/961991382.db2.gz XZDGDMLAHMFJOW-VIFPVBQESA-N 1 0 229.731 2.209 20 5 BEBDRO C[N+](C)(C)CCOC1CCCCCC1 ZINC001224775950 964938857 /nfs/dbraw/zinc/93/88/57/964938857.db2.gz QELWCELQZKDANR-UHFFFAOYSA-N 1 0 200.346 2.432 20 5 BEBDRO CC1CC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168961218 969312363 /nfs/dbraw/zinc/31/23/63/969312363.db2.gz IARULYZLYXGQJA-RUJICJSRSA-N 1 0 226.320 2.068 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(F)(F)CC2)C1 ZINC001169009772 969333557 /nfs/dbraw/zinc/33/35/57/969333557.db2.gz YDOKAEUEIDWPMD-VHSXEESVSA-N 1 0 248.273 2.163 20 5 BEBDRO [NH2+]=CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167867683 1166873202 /nfs/dbraw/zinc/87/32/02/1166873202.db2.gz AHWQWJXYGAXYPY-UHFFFAOYSA-N 1 0 204.189 2.095 20 5 BEBDRO COc1ccc(C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225325753 1166967533 /nfs/dbraw/zinc/96/75/33/1166967533.db2.gz KHUNWGSJWWNLPG-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO COCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227675643 975595723 /nfs/dbraw/zinc/59/57/23/975595723.db2.gz XDDWXQUDDTTZFQ-GFCCVEGCSA-N 1 0 238.351 2.307 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(F)c(Cl)c1 ZINC001227968743 975816084 /nfs/dbraw/zinc/81/60/84/975816084.db2.gz MRQZUSFEVIPILY-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO Cc1cc(F)ncc1O[C@H](C)C[N+](C)(C)C ZINC001228590888 976363323 /nfs/dbraw/zinc/36/33/23/976363323.db2.gz FPCPFCNYSOCWPH-SNVBAGLBSA-N 1 0 227.303 2.003 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1C1CC1 ZINC001229014943 1167434041 /nfs/dbraw/zinc/43/40/41/1167434041.db2.gz NLNWNKHZWYCVDC-NSHDSACASA-N 1 0 235.351 2.433 20 5 BEBDRO C[C@@H](OCC[N+](C)(C)C)c1ncccc1F ZINC001224776295 1167600610 /nfs/dbraw/zinc/60/06/10/1167600610.db2.gz UPTBURWVPWZBGW-SNVBAGLBSA-N 1 0 227.303 2.005 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1CCCC[C@@H]1F ZINC001224620839 973802202 /nfs/dbraw/zinc/80/22/02/973802202.db2.gz GVQGMPJOMBAKFA-NWDGAFQWSA-N 1 0 218.336 2.380 20 5 BEBDRO C[C@H]1CC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224624020 973807305 /nfs/dbraw/zinc/80/73/05/973807305.db2.gz SYJSMPMRGAFRRH-RYUDHWBXSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@H]1CCCC[C@H]1OCC[N+](C)(C)C ZINC001224772207 973936753 /nfs/dbraw/zinc/93/67/53/973936753.db2.gz WYXLORSDECSYOV-NWDGAFQWSA-N 1 0 200.346 2.288 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCC(=O)c1cccs1 ZINC001222087454 972367688 /nfs/dbraw/zinc/36/76/88/972367688.db2.gz JDILYNGUMNHQMK-SNVBAGLBSA-N 1 0 242.364 2.042 20 5 BEBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cccc1C[NH3+] ZINC001167590192 958974680 /nfs/dbraw/zinc/97/46/80/958974680.db2.gz UPEJQKULUOPBAX-UHFFFAOYSA-N 1 0 249.245 2.292 20 5 BEBDRO C[NH2+]CCNc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167726995 960248777 /nfs/dbraw/zinc/24/87/77/960248777.db2.gz QQPDHMBULNKBKX-UHFFFAOYSA-N 1 0 245.282 2.379 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)c1cccnc1 ZINC001224620396 964810260 /nfs/dbraw/zinc/81/02/60/964810260.db2.gz YCWHIPMZHCRZLI-LBPRGKRZSA-N 1 0 223.340 2.256 20 5 BEBDRO COc1ccccc1[C@@H](C)OCC[N+](C)(C)C ZINC001224770954 964933825 /nfs/dbraw/zinc/93/38/25/964933825.db2.gz DCNQODQGACCRMV-GFCCVEGCSA-N 1 0 238.351 2.479 20 5 BEBDRO COc1ccc([C@@H](C)OCC[N+](C)(C)C)cc1 ZINC001224776454 964939809 /nfs/dbraw/zinc/93/98/09/964939809.db2.gz VVZFEESCQDFKKC-GFCCVEGCSA-N 1 0 238.351 2.479 20 5 BEBDRO CN(c1cccc([N+](=O)[O-])c1)c1cc(N)cc[nH+]1 ZINC001204450080 967001967 /nfs/dbraw/zinc/00/19/67/967001967.db2.gz JQWURSPPUZRXNC-UHFFFAOYSA-N 1 0 244.254 2.340 20 5 BEBDRO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978833 969297883 /nfs/dbraw/zinc/29/78/83/969297883.db2.gz UPHVYNCAFOLBFY-GARJFASQSA-N 1 0 214.309 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CCC2)C1 ZINC001168979165 969298537 /nfs/dbraw/zinc/29/85/37/969298537.db2.gz WRIUSSRLOIXLJE-NEPJUHHUSA-N 1 0 226.320 2.212 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC2(F)F)C1 ZINC001168984897 969302537 /nfs/dbraw/zinc/30/25/37/969302537.db2.gz RECVQBRBGXCFGH-BBBLOLIVSA-N 1 0 248.273 2.209 20 5 BEBDRO CC(C)(C)C(=[NH2+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956584 969307990 /nfs/dbraw/zinc/30/79/90/969307990.db2.gz BUSHBDCJNAVNKE-IUCAKERBSA-N 1 0 227.308 2.045 20 5 BEBDRO CCC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958289 969308311 /nfs/dbraw/zinc/30/83/11/969308311.db2.gz MILMLFFHFKPWMJ-VHSXEESVSA-N 1 0 214.309 2.210 20 5 BEBDRO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959430 969309466 /nfs/dbraw/zinc/30/94/66/969309466.db2.gz VWQGDJFHCNODQT-GARJFASQSA-N 1 0 214.309 2.066 20 5 BEBDRO CCC(CC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958789 969310099 /nfs/dbraw/zinc/31/00/99/969310099.db2.gz PRGPCVABEPSVQM-KOLCDFICSA-N 1 0 214.309 2.210 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C1 ZINC001168961888 969311663 /nfs/dbraw/zinc/31/16/63/969311663.db2.gz KXVOFYDARGMWMK-QCNOEVLYSA-N 1 0 244.310 2.302 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001168961185 969312431 /nfs/dbraw/zinc/31/24/31/969312431.db2.gz HQDKLIJITDPAOJ-VXGBXAGGSA-N 1 0 226.320 2.212 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001168961582 969313076 /nfs/dbraw/zinc/31/30/76/969313076.db2.gz IXPYDAVOMZGLGU-KKOKHZNYSA-N 1 0 244.310 2.160 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C1 ZINC001168961887 969313476 /nfs/dbraw/zinc/31/34/76/969313476.db2.gz KXVOFYDARGMWMK-KKOKHZNYSA-N 1 0 244.310 2.302 20 5 BEBDRO CCC(CC)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964747 969318866 /nfs/dbraw/zinc/31/88/66/969318866.db2.gz VRECDGCJVYDAAX-RYUDHWBXSA-N 1 0 228.336 2.458 20 5 BEBDRO CC1(C)CC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001656 969326604 /nfs/dbraw/zinc/32/66/04/969326604.db2.gz HEKNQJQQCSSXLI-JQWIXIFHSA-N 1 0 240.347 2.458 20 5 BEBDRO CCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168992798 969327191 /nfs/dbraw/zinc/32/71/91/969327191.db2.gz KQEDTLMGIJPMEZ-MNOVXSKESA-N 1 0 226.320 2.354 20 5 BEBDRO CC[N@H+](C(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009689 969335891 /nfs/dbraw/zinc/33/58/91/969335891.db2.gz XGRYNJGKBDVLLS-WDEREUQCSA-N 1 0 214.309 2.162 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CCCC3)C1 ZINC001169011583 969339542 /nfs/dbraw/zinc/33/95/42/969339542.db2.gz LGFHNSRWTHIMOP-NEPJUHHUSA-N 1 0 238.331 2.308 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC3CCC2CC3)C1 ZINC001169037493 969357824 /nfs/dbraw/zinc/35/78/24/969357824.db2.gz RZKBMMRCBHDYAH-MVKMKZAISA-N 1 0 238.331 2.306 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC3CCC2CC3)C1 ZINC001169037490 969358858 /nfs/dbraw/zinc/35/88/58/969358858.db2.gz RZKBMMRCBHDYAH-KPFVRQRISA-N 1 0 238.331 2.306 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001254552073 969735222 /nfs/dbraw/zinc/73/52/22/969735222.db2.gz IZBMZCAANDBHNW-WCFLWFBJSA-N 1 0 246.310 2.478 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1F ZINC001254537371 969737239 /nfs/dbraw/zinc/73/72/39/969737239.db2.gz DALBNIZJCSIRFP-JMJZKYOTSA-N 1 0 238.262 2.226 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564839 969739424 /nfs/dbraw/zinc/73/94/24/969739424.db2.gz ATYADHAPVVNRBK-JIMOISOXSA-N 1 0 246.310 2.308 20 5 BEBDRO CC(C)(C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566201 969739818 /nfs/dbraw/zinc/73/98/18/969739818.db2.gz IRAULXJZRYNRRX-LLVKDONJSA-N 1 0 234.299 2.450 20 5 BEBDRO CC[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581398 969740275 /nfs/dbraw/zinc/74/02/75/969740275.db2.gz JRZCBGCVQWPRGW-SKDRFNHKSA-N 1 0 234.299 2.450 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCC1)C2 ZINC001254571288 969740792 /nfs/dbraw/zinc/74/07/92/969740792.db2.gz RRUWQLCZCAQBOD-LBPRGKRZSA-N 1 0 232.283 2.204 20 5 BEBDRO CC[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578139 969741287 /nfs/dbraw/zinc/74/12/87/969741287.db2.gz JRZCBGCVQWPRGW-JOYOIKCWSA-N 1 0 234.299 2.450 20 5 BEBDRO C[N@H+](CC1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600825 969745257 /nfs/dbraw/zinc/74/52/57/969745257.db2.gz VLYNDRLHOBDAKT-CQSZACIVSA-N 1 0 246.310 2.404 20 5 BEBDRO Cc1cccc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001222703721 972646943 /nfs/dbraw/zinc/64/69/43/972646943.db2.gz KJZZHLIEOVRQFK-GFCCVEGCSA-N 1 0 223.340 2.001 20 5 BEBDRO COc1ccccc1CO[C@H](C)C[N+](C)(C)C ZINC001222972651 972772708 /nfs/dbraw/zinc/77/27/08/972772708.db2.gz GBSJCYSXBJERPD-GFCCVEGCSA-N 1 0 238.351 2.307 20 5 BEBDRO Cc1cccnc1CO[C@H](C)C[N+](C)(C)C ZINC001223340679 972976783 /nfs/dbraw/zinc/97/67/83/972976783.db2.gz KBDQWEWAGMMMIW-GFCCVEGCSA-N 1 0 223.340 2.001 20 5 BEBDRO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC001329649241 973870574 /nfs/dbraw/zinc/87/05/74/973870574.db2.gz ZNXMGBIGQXQKRX-AEJSXWLSSA-N 1 0 238.287 2.015 20 5 BEBDRO CC(C)[C@@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771668 973936018 /nfs/dbraw/zinc/93/60/18/973936018.db2.gz QLDITTRDKKCSGX-SECBINFHSA-N 1 0 228.278 2.296 20 5 BEBDRO COc1cccc([C@H](C)OCC[N+](C)(C)C)c1 ZINC001224775727 973940519 /nfs/dbraw/zinc/94/05/19/973940519.db2.gz NZJXNZQOTXEDAC-LBPRGKRZSA-N 1 0 238.351 2.479 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cc1F ZINC001225311425 974389070 /nfs/dbraw/zinc/38/90/70/974389070.db2.gz FMFWNHXIONFKHG-VIFPVBQESA-N 1 0 230.278 2.438 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccccc2[nH]1 ZINC001225581767 974562931 /nfs/dbraw/zinc/56/29/31/974562931.db2.gz ASFBFHYJXVSPQZ-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1CCC2=O ZINC001225621745 974601059 /nfs/dbraw/zinc/60/10/59/974601059.db2.gz BYGSJVOKRYYHJR-NSHDSACASA-N 1 0 248.346 2.289 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)ccc1F ZINC001225902891 974722078 /nfs/dbraw/zinc/72/20/78/974722078.db2.gz QNYVKBLVPKKDGL-VIFPVBQESA-N 1 0 230.278 2.438 20 5 BEBDRO CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899205 974962043 /nfs/dbraw/zinc/96/20/43/974962043.db2.gz VDVMKIYVSYFJKP-LBPRGKRZSA-N 1 0 234.299 2.452 20 5 BEBDRO [NH2+]=CN[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902011 974963081 /nfs/dbraw/zinc/96/30/81/974963081.db2.gz SSGSDFYWWRWJIH-LLVKDONJSA-N 1 0 233.271 2.039 20 5 BEBDRO [NH2+]=CN[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902012 974963851 /nfs/dbraw/zinc/96/38/51/974963851.db2.gz SSGSDFYWWRWJIH-NSHDSACASA-N 1 0 233.271 2.039 20 5 BEBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(OC)cc1 ZINC001332698593 975255298 /nfs/dbraw/zinc/25/52/98/975255298.db2.gz FFTPTAXRNCZEFA-LBPRGKRZSA-N 1 0 238.287 2.013 20 5 BEBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001227135237 975291673 /nfs/dbraw/zinc/29/16/73/975291673.db2.gz ILXJDPVBEBXVSR-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO Cc1cc(O)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227450333 975424031 /nfs/dbraw/zinc/42/40/31/975424031.db2.gz OQPCQHPGCDZQTD-LLVKDONJSA-O 1 0 224.324 2.174 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2cc[nH]c21 ZINC001227900353 975781059 /nfs/dbraw/zinc/78/10/59/975781059.db2.gz GTDOHJOIWHAHAO-JTQLQIEISA-N 1 0 234.323 2.036 20 5 BEBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)cc1F ZINC001228064494 975885664 /nfs/dbraw/zinc/88/56/64/975885664.db2.gz VJJZEOMBBXFNEV-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO COc1ccc(C)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228730717 976465389 /nfs/dbraw/zinc/46/53/89/976465389.db2.gz IBHBCSNTIXMLCP-GFCCVEGCSA-N 1 0 238.351 2.477 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1F ZINC001228833564 976509139 /nfs/dbraw/zinc/50/91/39/976509139.db2.gz FKACFTVRXNIZFE-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C2CC2)cn1 ZINC001228999848 976634686 /nfs/dbraw/zinc/63/46/86/976634686.db2.gz DRPGGFDZUBFPOT-LLVKDONJSA-N 1 0 235.351 2.433 20 5 BEBDRO C[N@@H+]1CC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229119928 976758898 /nfs/dbraw/zinc/75/88/98/976758898.db2.gz TUUCQAAGLQJAMX-PPGNKHEKSA-N 1 0 248.282 2.017 20 5 BEBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)c1 ZINC001229995048 977042829 /nfs/dbraw/zinc/04/28/29/977042829.db2.gz ZKBDZKMOPMJDPE-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)c(F)c1 ZINC001229995049 977045801 /nfs/dbraw/zinc/04/58/01/977045801.db2.gz ZKBDZKMOPMJDPE-SNVBAGLBSA-N 1 0 242.314 2.308 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc2ccccc2nn1 ZINC001230244680 977147776 /nfs/dbraw/zinc/14/77/76/977147776.db2.gz LICLLEBAEWFCJG-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO Cc1[nH+]cn(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1N ZINC001175901415 977811866 /nfs/dbraw/zinc/81/18/66/977811866.db2.gz PLJRRKWTIATFQN-VOTSOKGWSA-N 1 0 244.254 2.010 20 5 BEBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001340728452 979082535 /nfs/dbraw/zinc/08/25/35/979082535.db2.gz DNFMVKPPIONPKK-UHFFFAOYSA-N 1 0 244.241 2.066 20 5 BEBDRO CCC1(CC)CC[NH+](CC[N+](=O)[O-])CC1 ZINC001354635634 983337685 /nfs/dbraw/zinc/33/76/85/983337685.db2.gz QMHPWHZFQFUADX-UHFFFAOYSA-N 1 0 214.309 2.165 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC001579734638 986204666 /nfs/dbraw/zinc/20/46/66/986204666.db2.gz VYNOXHHRXPYVMO-VWYCJHECSA-N 1 0 247.298 2.208 20 5 BEBDRO Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)cc[nH+]1 ZINC001248746705 989141621 /nfs/dbraw/zinc/14/16/21/989141621.db2.gz NWPRJCALRHFSSI-UHFFFAOYSA-N 1 0 244.254 2.167 20 5 BEBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)cn1 ZINC001306984514 995280620 /nfs/dbraw/zinc/28/06/20/995280620.db2.gz IEDFVTFMLGHKBV-UHFFFAOYSA-N 1 0 242.238 2.079 20 5 BEBDRO CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000038133839 1171023968 /nfs/dbraw/zinc/02/39/68/1171023968.db2.gz DJSFGCZOCDTHLL-VIFPVBQESA-N 1 0 208.261 2.135 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[NH2+]C1 ZINC000051872549 1171925834 /nfs/dbraw/zinc/92/58/34/1171925834.db2.gz DCMQFHDDGNNKCQ-LLVKDONJSA-N 1 0 236.271 2.034 20 5 BEBDRO Cc1cc(NCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000290890881 178160015 /nfs/dbraw/zinc/16/00/15/178160015.db2.gz CXJQOQLVVRPSFK-UHFFFAOYSA-N 1 0 241.266 2.016 20 5 BEBDRO Cc1cc(NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000221254637 178170301 /nfs/dbraw/zinc/17/03/01/178170301.db2.gz NEHSJNRQNTUSPN-GFCCVEGCSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[NH2+][C@H]1C ZINC000229596640 178272510 /nfs/dbraw/zinc/27/25/10/178272510.db2.gz WHDYKLAFRZKTFC-GWCFXTLKSA-N 1 0 249.314 2.456 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[NH2+][C@H]1C ZINC000229596659 178273002 /nfs/dbraw/zinc/27/30/02/178273002.db2.gz WHDYKLAFRZKTFC-GXFFZTMASA-N 1 0 249.314 2.456 20 5 BEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600184362 342697719 /nfs/dbraw/zinc/69/77/19/342697719.db2.gz HIMZNENGPHHEHZ-PHIMTYICSA-N 1 0 218.256 2.047 20 5 BEBDRO Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701631 178820022 /nfs/dbraw/zinc/82/00/22/178820022.db2.gz PIEVXWOZOJHPHN-NSHDSACASA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000159221301 345417992 /nfs/dbraw/zinc/41/79/92/345417992.db2.gz AZICQMSBCPENCK-PWSUYJOCSA-N 1 0 234.299 2.383 20 5 BEBDRO CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000091484514 345594984 /nfs/dbraw/zinc/59/49/84/345594984.db2.gz SEHYWMHJMBEUOP-CYBMUJFWSA-N 1 0 249.314 2.125 20 5 BEBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1F ZINC000149409506 345716399 /nfs/dbraw/zinc/71/63/99/345716399.db2.gz IOMUOWMTEXSXAK-UHFFFAOYSA-N 1 0 244.291 2.388 20 5 BEBDRO CC(C)(F)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601136993 346279424 /nfs/dbraw/zinc/27/94/24/346279424.db2.gz PEPKQDBVQCEQRB-UHFFFAOYSA-N 1 0 226.251 2.433 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000158950460 346538306 /nfs/dbraw/zinc/53/83/06/346538306.db2.gz NDBJNUBGMKLDLD-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc(NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000218842105 179145212 /nfs/dbraw/zinc/14/52/12/179145212.db2.gz MQYUDUKPGVVVID-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1cccc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000227537175 179146272 /nfs/dbraw/zinc/14/62/72/179146272.db2.gz YVIRUKSLIOBTAH-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO Cc1cccc(N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235924523 179155434 /nfs/dbraw/zinc/15/54/34/179155434.db2.gz HXPIDESLQLLBTR-SNVBAGLBSA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1cccc(N[C@@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000235310614 179155451 /nfs/dbraw/zinc/15/54/51/179155451.db2.gz LHFSKUDNODBTNX-WDEREUQCSA-N 1 0 249.314 2.456 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000594983663 348164676 /nfs/dbraw/zinc/16/46/76/348164676.db2.gz AGQAVEFYKGQTRC-ITGUQSILSA-N 1 0 232.283 2.483 20 5 BEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000596432440 348545438 /nfs/dbraw/zinc/54/54/38/348545438.db2.gz PINOXCSDEGPKGH-QMMMGPOBSA-N 1 0 243.332 2.408 20 5 BEBDRO C[C@@H](CCNc1sccc1[N+](=O)[O-])[NH+](C)C ZINC000596433205 348545806 /nfs/dbraw/zinc/54/58/06/348545806.db2.gz SBOXNYPKACACJC-QMMMGPOBSA-N 1 0 243.332 2.408 20 5 BEBDRO C[C@H](CCNc1ccsc1[N+](=O)[O-])[NH+](C)C ZINC000596425233 348529145 /nfs/dbraw/zinc/52/91/45/348529145.db2.gz REKPPVHOBIBCRG-MRVPVSSYSA-N 1 0 243.332 2.408 20 5 BEBDRO CSCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000309271830 350248505 /nfs/dbraw/zinc/24/85/05/350248505.db2.gz DNUXWZXLTJXNES-UHFFFAOYSA-N 1 0 244.291 2.187 20 5 BEBDRO C[NH2+]CCSCc1ccccc1[N+](=O)[O-] ZINC000382646570 350935620 /nfs/dbraw/zinc/93/56/20/350935620.db2.gz LLCYIBWDMOZIDV-UHFFFAOYSA-N 1 0 226.301 2.047 20 5 BEBDRO CC(C)(CF)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000336697717 188164738 /nfs/dbraw/zinc/16/47/38/188164738.db2.gz ZHFXKEDYDQUMTA-UHFFFAOYSA-N 1 0 226.251 2.433 20 5 BEBDRO CC[N@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000218843942 134265038 /nfs/dbraw/zinc/26/50/38/134265038.db2.gz YYCNTJMCHWSGTL-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090795296 363880235 /nfs/dbraw/zinc/88/02/35/363880235.db2.gz YAKKAWOLXJYMNE-PWSUYJOCSA-N 1 0 249.314 2.489 20 5 BEBDRO CC(C)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332674675 371361684 /nfs/dbraw/zinc/36/16/84/371361684.db2.gz JWWHWAJVBNPSGG-UHFFFAOYSA-N 1 0 235.287 2.004 20 5 BEBDRO COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350097038 371555477 /nfs/dbraw/zinc/55/54/77/371555477.db2.gz LARFELRSDVYKNM-JTQLQIEISA-N 1 0 238.287 2.028 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000113254109 182951416 /nfs/dbraw/zinc/95/14/16/182951416.db2.gz ZUAALKHXXJEJEV-NSHDSACASA-N 1 0 249.314 2.396 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCCC[NH+]1CCCC1 ZINC000058340812 182951509 /nfs/dbraw/zinc/95/15/09/182951509.db2.gz HWLBDTZPIWEIRY-UHFFFAOYSA-N 1 0 249.314 2.493 20 5 BEBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000338791377 383830675 /nfs/dbraw/zinc/83/06/75/383830675.db2.gz FCXVCXBJGVKMNU-PHIMTYICSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@H](CF)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000288461184 383893610 /nfs/dbraw/zinc/89/36/10/383893610.db2.gz OAGSAWMPMHZNRP-MRVPVSSYSA-N 1 0 212.224 2.042 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000050269723 383988454 /nfs/dbraw/zinc/98/84/54/383988454.db2.gz QPOHVTLCKKXCHL-LBPRGKRZSA-N 1 0 248.282 2.377 20 5 BEBDRO CS[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000128000133 384073003 /nfs/dbraw/zinc/07/30/03/384073003.db2.gz BZZYBSYEMOJVEC-VIFPVBQESA-N 1 0 240.328 2.436 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC2)c(F)c1 ZINC000336683534 384251213 /nfs/dbraw/zinc/25/12/13/384251213.db2.gz ZAYGFYLICVVYBC-UHFFFAOYSA-N 1 0 224.235 2.376 20 5 BEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCF ZINC000336670545 384251417 /nfs/dbraw/zinc/25/14/17/384251417.db2.gz HMRCVWKTAUPFNJ-HYXAFXHYSA-N 1 0 224.235 2.167 20 5 BEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])[C@@H]1C ZINC000310721418 384271594 /nfs/dbraw/zinc/27/15/94/384271594.db2.gz YFRHMYYGIMGHKH-SCVCMEIPSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000235677611 384563451 /nfs/dbraw/zinc/56/34/51/384563451.db2.gz MYQVAZYVHOIDFV-WDEREUQCSA-N 1 0 249.314 2.077 20 5 BEBDRO CC[N@H+](CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000227550117 385157411 /nfs/dbraw/zinc/15/74/11/385157411.db2.gz BGDJICJPLWSHEA-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO Cc1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110798300 385217345 /nfs/dbraw/zinc/21/73/45/385217345.db2.gz YRMKWLMXGKLLEL-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO C[C@@H]1C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000052274892 385714404 /nfs/dbraw/zinc/71/44/04/385714404.db2.gz QTNSGVYJZXCDOS-HTRCEHHLSA-N 1 0 212.274 2.154 20 5 BEBDRO Cc1cccc(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000397996476 385729369 /nfs/dbraw/zinc/72/93/69/385729369.db2.gz ZZYNDVOBDQCPQO-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]([NH3+])C2CC2)c1 ZINC000129319981 385781261 /nfs/dbraw/zinc/78/12/61/385781261.db2.gz POQKCMOJUBDIGI-SNVBAGLBSA-N 1 0 235.287 2.052 20 5 BEBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428294 385862545 /nfs/dbraw/zinc/86/25/45/385862545.db2.gz BNCARZSGVCFWNJ-UWVGGRQHSA-N 1 0 238.287 2.280 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CC[NH2+]C2)c1 ZINC000094663325 386466208 /nfs/dbraw/zinc/46/62/08/386466208.db2.gz AQRMZDRBDGGGFP-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000085980780 386695519 /nfs/dbraw/zinc/69/55/19/386695519.db2.gz GFADSHQUCMRXDU-VHSXEESVSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000085984293 386696912 /nfs/dbraw/zinc/69/69/12/386696912.db2.gz WOSBGXSEVOKQGP-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000085983473 386697166 /nfs/dbraw/zinc/69/71/66/386697166.db2.gz PVCVJONDNOHIJM-UWVGGRQHSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[C@@H]([NH2+]C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601426 387373951 /nfs/dbraw/zinc/37/39/51/387373951.db2.gz YJMQFGOWDXPWOH-JOYOIKCWSA-N 1 0 238.287 2.016 20 5 BEBDRO CO[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000191139431 387348305 /nfs/dbraw/zinc/34/83/05/387348305.db2.gz LDBWWXPCURHJMY-JTQLQIEISA-N 1 0 238.287 2.028 20 5 BEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177150 388191324 /nfs/dbraw/zinc/19/13/24/388191324.db2.gz BWOPKIMENZYADG-GXSJLCMTSA-N 1 0 238.287 2.016 20 5 BEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163248549 388374114 /nfs/dbraw/zinc/37/41/14/388374114.db2.gz MBBFYFZPWXSQOM-UWVGGRQHSA-N 1 0 238.287 2.108 20 5 BEBDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986189 388375344 /nfs/dbraw/zinc/37/53/44/388375344.db2.gz OLFNUDSMCRXGOJ-ZJUUUORDSA-N 1 0 238.287 2.280 20 5 BEBDRO CSC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000076769593 388443760 /nfs/dbraw/zinc/44/37/60/388443760.db2.gz VXXUBROSCVZMSU-VIFPVBQESA-N 1 0 240.328 2.436 20 5 BEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2(F)CC2)c1 ZINC000525990707 388683524 /nfs/dbraw/zinc/68/35/24/388683524.db2.gz BOTZCPLVMNPAMN-UHFFFAOYSA-N 1 0 238.262 2.229 20 5 BEBDRO CO[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000272820854 388741235 /nfs/dbraw/zinc/74/12/35/388741235.db2.gz PCAXCRJBIOWGDM-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC23CC3)c1 ZINC000424183509 388694819 /nfs/dbraw/zinc/69/48/19/388694819.db2.gz JGVZJSUBVOMRSC-NSHDSACASA-N 1 0 218.256 2.237 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC12CC2 ZINC000424187731 388695319 /nfs/dbraw/zinc/69/53/19/388695319.db2.gz WIQJAZCWPATJKK-LLVKDONJSA-N 1 0 218.256 2.237 20 5 BEBDRO CC[C@H](COC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000079713397 388697868 /nfs/dbraw/zinc/69/78/68/388697868.db2.gz BXJCCDSXDHQOAR-LLVKDONJSA-N 1 0 238.287 2.109 20 5 BEBDRO C[C@@H](CC[NH+](C)C)Nc1sccc1[N+](=O)[O-] ZINC000301981931 388727014 /nfs/dbraw/zinc/72/70/14/388727014.db2.gz HPKDJRVYHWPVME-QMMMGPOBSA-N 1 0 243.332 2.408 20 5 BEBDRO CC(C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605923 388732584 /nfs/dbraw/zinc/73/25/84/388732584.db2.gz OWYCULFQZJTLSU-UHFFFAOYSA-N 1 0 220.272 2.361 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000251016868 132232440 /nfs/dbraw/zinc/23/24/40/132232440.db2.gz NUQQWHFRSANZIK-GHMZBOCLSA-N 1 0 249.314 2.090 20 5 BEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH3+])C1 ZINC000217484617 134247038 /nfs/dbraw/zinc/24/70/38/134247038.db2.gz HJQXLCUYOKZBGS-CMPLNLGQSA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH3+])C1 ZINC000217484691 134247106 /nfs/dbraw/zinc/24/71/06/134247106.db2.gz HJQXLCUYOKZBGS-ZYHUDNBSSA-N 1 0 249.314 2.079 20 5 BEBDRO C[C@H]([NH3+])CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000235489045 134592847 /nfs/dbraw/zinc/59/28/47/134592847.db2.gz JJKCHMXASLIBHB-LURJTMIESA-N 1 0 245.229 2.022 20 5 BEBDRO Cc1cccc(N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000261551485 135190619 /nfs/dbraw/zinc/19/06/19/135190619.db2.gz VQLXJRSNSVFSBI-MNOVXSKESA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1ccc(N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000261560517 135201411 /nfs/dbraw/zinc/20/14/11/135201411.db2.gz AAIHONAKFLZTAS-IUCAKERBSA-N 1 0 223.276 2.051 20 5 BEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000261581755 135222580 /nfs/dbraw/zinc/22/25/80/135222580.db2.gz NWWSACCTYYGVRO-NKWVEPMBSA-N 1 0 243.694 2.396 20 5 BEBDRO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000261582294 135223076 /nfs/dbraw/zinc/22/30/76/135223076.db2.gz OCKVFZSBPSUHPU-RKDXNWHRSA-N 1 0 223.276 2.051 20 5 BEBDRO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000261582091 135223111 /nfs/dbraw/zinc/22/31/11/135223111.db2.gz OCKVFZSBPSUHPU-BDAKNGLRSA-N 1 0 223.276 2.051 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000342227361 135253684 /nfs/dbraw/zinc/25/36/84/135253684.db2.gz YOSPWRVVQIVOMJ-IUCAKERBSA-N 1 0 242.225 2.338 20 5 BEBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000136403051 397734367 /nfs/dbraw/zinc/73/43/67/397734367.db2.gz AUQIAOGYJKKUBM-ONGXEEELSA-N 1 0 220.272 2.340 20 5 BEBDRO CC(C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000053302281 167109414 /nfs/dbraw/zinc/10/94/14/167109414.db2.gz FDOUUOOMABQIIQ-UHFFFAOYSA-N 1 0 208.261 2.135 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2C)c1 ZINC000228763602 411186583 /nfs/dbraw/zinc/18/65/83/411186583.db2.gz QWIQGJLKHPKWTD-NSHDSACASA-N 1 0 249.314 2.409 20 5 BEBDRO C[NH2+]C(C)(C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286090060 173318917 /nfs/dbraw/zinc/31/89/17/173318917.db2.gz DJRCJZPJSIZJAB-UHFFFAOYSA-N 1 0 241.266 2.144 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000129565448 173375491 /nfs/dbraw/zinc/37/54/91/173375491.db2.gz OLKYMQCEWCSYLR-JTQLQIEISA-N 1 0 237.303 2.171 20 5 BEBDRO COCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926246 174384416 /nfs/dbraw/zinc/38/44/16/174384416.db2.gz GNRXOFKJEYRRAM-SNVBAGLBSA-N 1 0 238.287 2.109 20 5 BEBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309459006 176236943 /nfs/dbraw/zinc/23/69/43/176236943.db2.gz TXNMFSDMWRXKMJ-BXKDBHETSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000136336624 176397120 /nfs/dbraw/zinc/39/71/20/176397120.db2.gz SEEAPPSVHOWGPC-VXNVDRBHSA-N 1 0 226.301 2.402 20 5 BEBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263726484 177160306 /nfs/dbraw/zinc/16/03/06/177160306.db2.gz PJQISJOHBOFTOU-NSHDSACASA-N 1 0 234.299 2.479 20 5 BEBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293525757 177254693 /nfs/dbraw/zinc/25/46/93/177254693.db2.gz WLPWHAUABDDJLV-QWRGUYRKSA-N 1 0 234.299 2.478 20 5 BEBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000136336669 177345817 /nfs/dbraw/zinc/34/58/17/177345817.db2.gz SEEAPPSVHOWGPC-IONNQARKSA-N 1 0 226.301 2.402 20 5 BEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047914912 323076285 /nfs/dbraw/zinc/07/62/85/323076285.db2.gz AONOEMSFEPRFJD-UHFFFAOYSA-N 1 0 236.271 2.068 20 5 BEBDRO CC[NH+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051589467 323190257 /nfs/dbraw/zinc/19/02/57/323190257.db2.gz LHKRRMSMQLXBTB-UHFFFAOYSA-N 1 0 238.287 2.445 20 5 BEBDRO Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000250882005 325670512 /nfs/dbraw/zinc/67/05/12/325670512.db2.gz VQZJBCZCMGNCNZ-GHMZBOCLSA-N 1 0 249.314 2.090 20 5 BEBDRO C[NH2+][C@@H](C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000261561824 536344208 /nfs/dbraw/zinc/34/42/08/536344208.db2.gz AWSVYRPDCGOWSA-ZETCQYMHSA-N 1 0 243.694 2.268 20 5 BEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286315850 535748046 /nfs/dbraw/zinc/74/80/46/535748046.db2.gz KLZUZHFWJDWXBQ-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO CCC(N)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853655815 588752850 /nfs/dbraw/zinc/75/28/50/588752850.db2.gz CZTDPYOFOYKNBJ-UHFFFAOYSA-N 1 0 241.222 2.142 20 5 BEBDRO CCC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059007 583576024 /nfs/dbraw/zinc/57/60/24/583576024.db2.gz QFXZHJIXNINKNZ-NSHDSACASA-N 1 0 249.314 2.173 20 5 BEBDRO C[C@@H]1[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895737172 583718231 /nfs/dbraw/zinc/71/82/31/583718231.db2.gz SLKZJPXJJBVWKB-HTQZYQBOSA-N 1 0 241.316 2.161 20 5 BEBDRO O=[N+]([O-])CCNCc1ccc(Cl)cc1Cl ZINC000899856925 584243950 /nfs/dbraw/zinc/24/39/50/584243950.db2.gz YSWISYXKEOEUAJ-UHFFFAOYSA-N 1 0 249.097 2.360 20 5 BEBDRO O=[N+]([O-])CC[NH2+]Cc1csc2ccccc12 ZINC000899871048 584244584 /nfs/dbraw/zinc/24/45/84/584244584.db2.gz MDLNQWPIHLQXQQ-UHFFFAOYSA-N 1 0 236.296 2.268 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCSc2ccccc21 ZINC000899870379 584244709 /nfs/dbraw/zinc/24/47/09/584244709.db2.gz MQMPEVHQSKTJIO-JTQLQIEISA-N 1 0 238.312 2.090 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000899864687 584244741 /nfs/dbraw/zinc/24/47/41/584244741.db2.gz LKOMTMPWTVUEED-GRYCIOLGSA-N 1 0 226.320 2.212 20 5 BEBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018919 585035562 /nfs/dbraw/zinc/03/55/62/585035562.db2.gz JRABPUYCQTYODG-UWVGGRQHSA-N 1 0 235.287 2.220 20 5 BEBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018921 585035740 /nfs/dbraw/zinc/03/57/40/585035740.db2.gz JRABPUYCQTYODG-ZJUUUORDSA-N 1 0 235.287 2.220 20 5 BEBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2C[C@@H]2C1 ZINC000886334325 585129535 /nfs/dbraw/zinc/12/95/35/585129535.db2.gz VLALCOBEBRRCAE-DTORHVGOSA-N 1 0 236.246 2.186 20 5 BEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761090832 585408056 /nfs/dbraw/zinc/40/80/56/585408056.db2.gz IBUBCGKRPGZNFK-CMPLNLGQSA-N 1 0 248.282 2.068 20 5 BEBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000774536803 585661032 /nfs/dbraw/zinc/66/10/32/585661032.db2.gz MPLOWHRSQOOCON-MNOVXSKESA-N 1 0 249.314 2.124 20 5 BEBDRO O=[N+]([O-])CCN(Cc1ccccc1F)C1CC1 ZINC000791052825 585972752 /nfs/dbraw/zinc/97/27/52/585972752.db2.gz FPSMFCCHOUYSTO-UHFFFAOYSA-N 1 0 238.262 2.067 20 5 BEBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791051939 585972892 /nfs/dbraw/zinc/97/28/92/585972892.db2.gz INUVYXYSSAJHLM-CYBMUJFWSA-N 1 0 234.299 2.409 20 5 BEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000820597276 587057852 /nfs/dbraw/zinc/05/78/52/587057852.db2.gz YFZUBQAFQUOOKZ-GWCFXTLKSA-N 1 0 249.314 2.124 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC1 ZINC000873007174 589978967 /nfs/dbraw/zinc/97/89/67/589978967.db2.gz WWBMGOYHQKMADM-UHFFFAOYSA-N 1 0 220.272 2.464 20 5 BEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526261 590118698 /nfs/dbraw/zinc/11/86/98/590118698.db2.gz WZOJXYBOOKAPFR-VHSXEESVSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526262 590118825 /nfs/dbraw/zinc/11/88/25/590118825.db2.gz WZOJXYBOOKAPFR-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO CC[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000125342967 590162185 /nfs/dbraw/zinc/16/21/85/590162185.db2.gz JXFWSERETMBXBR-JTQLQIEISA-N 1 0 240.307 2.115 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216205584 592014757 /nfs/dbraw/zinc/01/47/57/592014757.db2.gz XFUSWMBMZJNDIR-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886032566 592136585 /nfs/dbraw/zinc/13/65/85/592136585.db2.gz JCYHEDXBJNHKMR-NXEZZACHSA-N 1 0 235.287 2.220 20 5 BEBDRO CC1(C)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886229508 592180997 /nfs/dbraw/zinc/18/09/97/592180997.db2.gz QMGWOVJYUPNDCR-SNVBAGLBSA-N 1 0 235.287 2.268 20 5 BEBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886249098 592184941 /nfs/dbraw/zinc/18/49/41/592184941.db2.gz CPNULRMKQKUDFC-MXWKQRLJSA-N 1 0 249.314 2.466 20 5 BEBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886280417 592198005 /nfs/dbraw/zinc/19/80/05/592198005.db2.gz DQUWHKPCXAUKJK-LLVKDONJSA-N 1 0 235.287 2.268 20 5 BEBDRO C[C@@H](C[NH3+])Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310149376 632701112 /nfs/dbraw/zinc/70/11/12/632701112.db2.gz GRBWYCLPUXTSBD-LURJTMIESA-N 1 0 245.229 2.292 20 5 BEBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000089092109 636372463 /nfs/dbraw/zinc/37/24/63/636372463.db2.gz INBWZTFZSQBJJA-CABZTGNLSA-N 1 0 235.287 2.134 20 5 BEBDRO CC(C)(C)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905040042 637559973 /nfs/dbraw/zinc/55/99/73/637559973.db2.gz YYDWXIWXCPXNML-UHFFFAOYSA-N 1 0 236.315 2.350 20 5 BEBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905191065 637671311 /nfs/dbraw/zinc/67/13/11/637671311.db2.gz NCFKCCBJWUGEKA-UHFFFAOYSA-N 1 0 228.336 2.459 20 5 BEBDRO CSc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930313329 639697893 /nfs/dbraw/zinc/69/78/93/639697893.db2.gz WQAQKMUZICBMCI-VIFPVBQESA-N 1 0 240.328 2.336 20 5 BEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000930666008 639854037 /nfs/dbraw/zinc/85/40/37/639854037.db2.gz GTMDLLUALQZILG-OUAUKWLOSA-N 1 0 214.309 2.068 20 5 BEBDRO CC(C)(C)C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930670557 639855845 /nfs/dbraw/zinc/85/58/45/639855845.db2.gz LGVLBJASECWVKR-SNVBAGLBSA-N 1 0 214.309 2.021 20 5 BEBDRO CC(C)(C)C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930670556 639856427 /nfs/dbraw/zinc/85/64/27/639856427.db2.gz LGVLBJASECWVKR-JTQLQIEISA-N 1 0 214.309 2.021 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000930931526 639991727 /nfs/dbraw/zinc/99/17/27/639991727.db2.gz XYTTWZGDPHTUNX-UHFFFAOYSA-N 1 0 226.320 2.309 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000931506686 640238446 /nfs/dbraw/zinc/23/84/46/640238446.db2.gz AFOYOXQJZMUSRK-LBPRGKRZSA-N 1 0 226.320 2.165 20 5 BEBDRO CCC[NH2+]CCNc1c(C)cccc1[N+](=O)[O-] ZINC000158934861 641658003 /nfs/dbraw/zinc/65/80/03/641658003.db2.gz FZXAPCXJCKZUOV-UHFFFAOYSA-N 1 0 237.303 2.315 20 5 BEBDRO CCCCC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929852382 641776626 /nfs/dbraw/zinc/77/66/26/641776626.db2.gz CUHGCICAOZOLLX-NSHDSACASA-N 1 0 214.309 2.308 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000094663257 643796558 /nfs/dbraw/zinc/79/65/58/643796558.db2.gz KQZYIXGONYDHPT-LLVKDONJSA-N 1 0 249.314 2.315 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]2)c1 ZINC000094663276 643797802 /nfs/dbraw/zinc/79/78/02/643797802.db2.gz SJTKQXHMRGFLRU-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000094663394 644723722 /nfs/dbraw/zinc/72/37/22/644723722.db2.gz MSYPLJNWONOBII-QWRGUYRKSA-N 1 0 249.314 2.443 20 5 BEBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000814938860 644946803 /nfs/dbraw/zinc/94/68/03/644946803.db2.gz WYKXOKVVPSJFAZ-LLVKDONJSA-N 1 0 249.314 2.125 20 5 BEBDRO C[N@H+](CCc1ccc(Cl)cc1)CC[N+](=O)[O-] ZINC000929642182 646214862 /nfs/dbraw/zinc/21/48/62/646214862.db2.gz CRYGDEYLLFFWCT-UHFFFAOYSA-N 1 0 242.706 2.091 20 5 BEBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000929653456 646223459 /nfs/dbraw/zinc/22/34/59/646223459.db2.gz BXSZJBYLAMOBFE-AAEUAGOBSA-N 1 0 234.299 2.141 20 5 BEBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929768384 646296469 /nfs/dbraw/zinc/29/64/69/646296469.db2.gz JEIIBVPDJPVCBI-JSGCOSHPSA-N 1 0 248.326 2.216 20 5 BEBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000929960482 646380189 /nfs/dbraw/zinc/38/01/89/646380189.db2.gz DITTXIWIJASNJF-QWRGUYRKSA-N 1 0 228.336 2.458 20 5 BEBDRO C[C@@H](c1ccco1)N(CC[N+](=O)[O-])C1CC1 ZINC000930024540 646399747 /nfs/dbraw/zinc/39/97/47/646399747.db2.gz TZMXRFZDUGVNFZ-VIFPVBQESA-N 1 0 224.260 2.082 20 5 BEBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCCc2ccccc21 ZINC000905203003 711812598 /nfs/dbraw/zinc/81/25/98/711812598.db2.gz UTCHPPCEPSYFHA-CQSZACIVSA-N 1 0 248.326 2.147 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C=CCC2)c1 ZINC000700543674 711996635 /nfs/dbraw/zinc/99/66/35/711996635.db2.gz NSIYIADYPOUBHQ-NSHDSACASA-N 1 0 218.256 2.403 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001168958033 969307081 /nfs/dbraw/zinc/30/70/81/969307081.db2.gz LBSAAMGNTMLROX-KOLCDFICSA-N 1 0 240.328 2.283 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001168958034 969306853 /nfs/dbraw/zinc/30/68/53/969306853.db2.gz LBSAAMGNTMLROX-MWLCHTKSSA-N 1 0 240.328 2.283 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C1 ZINC001168961886 969312608 /nfs/dbraw/zinc/31/26/08/969312608.db2.gz KXVOFYDARGMWMK-IRCOFANPSA-N 1 0 244.310 2.302 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)C1 ZINC001168997974 969327285 /nfs/dbraw/zinc/32/72/85/969327285.db2.gz GWVNLXAMEOAMDF-WOPDTQHZSA-N 1 0 224.304 2.130 20 5 BEBDRO Cc1cnc(CO[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001223495736 1166877067 /nfs/dbraw/zinc/87/70/67/1166877067.db2.gz FCKXNXLEDOSYHW-ZDUSSCGKSA-N 1 0 237.367 2.310 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1F ZINC001227285814 975355400 /nfs/dbraw/zinc/35/54/00/975355400.db2.gz WWGKFDDYITVFGB-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001335816041 977300338 /nfs/dbraw/zinc/30/03/38/977300338.db2.gz VOCBIDXAXUKZLO-MNOVXSKESA-N 1 0 214.309 2.212 20 5 BEBDRO Cc1cccc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001222703722 972647343 /nfs/dbraw/zinc/64/73/43/972647343.db2.gz KJZZHLIEOVRQFK-LBPRGKRZSA-N 1 0 223.340 2.001 20 5 BEBDRO C[C@H](OCCC[N+](C)(C)C)c1ncccc1F ZINC001224622578 973805231 /nfs/dbraw/zinc/80/52/31/973805231.db2.gz IKOBOSXQCGGTLY-NSHDSACASA-N 1 0 241.330 2.395 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)C1C=CC=C1 ZINC001224622024 973804686 /nfs/dbraw/zinc/80/46/86/973804686.db2.gz FITOKSOMMVPEJX-GFCCVEGCSA-N 1 0 209.333 2.188 20 5 BEBDRO C[C@@H]([NH3+])CCNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170890913 972041692 /nfs/dbraw/zinc/04/16/92/972041692.db2.gz LDKQSJNHKJBBDQ-MRVPVSSYSA-N 1 0 248.286 2.225 20 5 BEBDRO Cc1cc([N+](=O)[O-])cc(NCC[NH+](C)C)c1F ZINC001161670929 963110009 /nfs/dbraw/zinc/11/00/09/963110009.db2.gz GPIROHZEXQKUTD-UHFFFAOYSA-N 1 0 241.266 2.016 20 5 BEBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000713926123 963564321 /nfs/dbraw/zinc/56/43/21/963564321.db2.gz NENZFFGYARCAPL-QMMMGPOBSA-N 1 0 242.250 2.063 20 5 BEBDRO Cc1cccc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000714242732 963635704 /nfs/dbraw/zinc/63/57/04/963635704.db2.gz HHOZYTIMJPAIEA-UHFFFAOYSA-N 1 0 237.303 2.077 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(Cl)c1F ZINC001228580431 963866905 /nfs/dbraw/zinc/86/69/05/963866905.db2.gz NNFLDCBHNOQSCS-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CSC2)c1 ZINC000697942395 964750527 /nfs/dbraw/zinc/75/05/27/964750527.db2.gz SMHJKDNXBXIAKY-UHFFFAOYSA-N 1 0 238.312 2.047 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1CCc2cccnc21 ZINC001224624374 964816106 /nfs/dbraw/zinc/81/61/06/964816106.db2.gz VVSSUDBHPZEWMR-CYBMUJFWSA-N 1 0 235.351 2.182 20 5 BEBDRO Cc1cc(Nc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001204407169 966989398 /nfs/dbraw/zinc/98/93/98/966989398.db2.gz LGLFKOLKKFXGSD-UHFFFAOYSA-N 1 0 229.239 2.464 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCOCc1ccccc1 ZINC001205276079 967466483 /nfs/dbraw/zinc/46/64/83/967466483.db2.gz HUGZCBKQFJLTBD-CYBMUJFWSA-N 1 0 238.351 2.272 20 5 BEBDRO O=[N+]([O-])c1ccccc1Nc1cc[nH+]c(CO)c1 ZINC001206150097 968086504 /nfs/dbraw/zinc/08/65/04/968086504.db2.gz BHAKNWZXPRXOPK-UHFFFAOYSA-N 1 0 245.238 2.226 20 5 BEBDRO CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168955455 969304817 /nfs/dbraw/zinc/30/48/17/969304817.db2.gz AMRPNDWFNFMXIA-VHSXEESVSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC001168955843 969305401 /nfs/dbraw/zinc/30/54/01/969305401.db2.gz CSISXTOLZXLVGH-CMPLNLGQSA-N 1 0 226.320 2.354 20 5 BEBDRO CC(C)(C)C(=[NH2+])N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956576 969306112 /nfs/dbraw/zinc/30/61/12/969306112.db2.gz BUSHBDCJNAVNKE-BDAKNGLRSA-N 1 0 227.308 2.045 20 5 BEBDRO CCC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958288 969306828 /nfs/dbraw/zinc/30/68/28/969306828.db2.gz MILMLFFHFKPWMJ-UWVGGRQHSA-N 1 0 214.309 2.210 20 5 BEBDRO CCC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958291 969306960 /nfs/dbraw/zinc/30/69/60/969306960.db2.gz MILMLFFHFKPWMJ-ZJUUUORDSA-N 1 0 214.309 2.210 20 5 BEBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001168957770 969308155 /nfs/dbraw/zinc/30/81/55/969308155.db2.gz IPLKMMLTAYPKIE-GHMZBOCLSA-N 1 0 238.287 2.123 20 5 BEBDRO CC(C)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959428 969310871 /nfs/dbraw/zinc/31/08/71/969310871.db2.gz VWQGDJFHCNODQT-AXFHLTTASA-N 1 0 214.309 2.066 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168963681 969314341 /nfs/dbraw/zinc/31/43/41/969314341.db2.gz PQLIWRHYTCKQTG-LOWVWBTDSA-N 1 0 249.314 2.178 20 5 BEBDRO CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966549 969319038 /nfs/dbraw/zinc/31/90/38/969319038.db2.gz JKQOXHCCVGEEMW-MNOVXSKESA-N 1 0 226.320 2.212 20 5 BEBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168975693 969323105 /nfs/dbraw/zinc/32/31/05/969323105.db2.gz WSABIYVPVHMZHB-GRYCIOLGSA-N 1 0 249.314 2.178 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC001168972479 969323733 /nfs/dbraw/zinc/32/37/33/969323733.db2.gz NBCVSSQCSCCRSX-CKIKVBCHSA-N 1 0 238.331 2.210 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC001168972492 969324288 /nfs/dbraw/zinc/32/42/88/969324288.db2.gz NBCVSSQCSCCRSX-ZOLYEBIHSA-N 1 0 238.331 2.210 20 5 BEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCC1 ZINC001169004054 969326800 /nfs/dbraw/zinc/32/68/00/969326800.db2.gz PHTKPRYOXYQUDR-NHCYSSNCSA-N 1 0 226.320 2.210 20 5 BEBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004942 969328676 /nfs/dbraw/zinc/32/86/76/969328676.db2.gz SKPMNPMGXYTBSF-FPYNETTCSA-N 1 0 240.347 2.456 20 5 BEBDRO CC(C)C[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007079 969328689 /nfs/dbraw/zinc/32/86/89/969328689.db2.gz KRGRLLDGXYLPSL-QWRGUYRKSA-N 1 0 214.309 2.020 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2Cc3ccccc3C2)C1 ZINC001169006280 969328784 /nfs/dbraw/zinc/32/87/84/969328784.db2.gz GMQKAXIGHYNBKC-RISCZKNCSA-N 1 0 246.310 2.448 20 5 BEBDRO C[N@H+](C1CC(F)(F)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009651 969334601 /nfs/dbraw/zinc/33/46/01/969334601.db2.gz WVHVEVVYIBVRJI-RKDXNWHRSA-N 1 0 248.273 2.161 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(F)(F)CC2)C1 ZINC001169009770 969335063 /nfs/dbraw/zinc/33/50/63/969335063.db2.gz YDOKAEUEIDWPMD-NXEZZACHSA-N 1 0 248.273 2.163 20 5 BEBDRO C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008244 969335924 /nfs/dbraw/zinc/33/59/24/969335924.db2.gz SKSXWUGSEIJGHA-IJLUTSLNSA-N 1 0 226.320 2.306 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCCC3)C1 ZINC001169011586 969336503 /nfs/dbraw/zinc/33/65/03/969336503.db2.gz LGFHNSRWTHIMOP-VXGBXAGGSA-N 1 0 238.331 2.308 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC001169011938 969336537 /nfs/dbraw/zinc/33/65/37/969336537.db2.gz NUHZLCKZWHHVKS-WUHRBBMRSA-N 1 0 238.331 2.164 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC3)CC2)C1 ZINC001169011310 969337597 /nfs/dbraw/zinc/33/75/97/969337597.db2.gz JQFALRSZZPJINZ-VXGBXAGGSA-N 1 0 238.331 2.308 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC23CCCC3)C1 ZINC001169011020 969340142 /nfs/dbraw/zinc/34/01/42/969340142.db2.gz HJNXTSLUABWUON-NWDGAFQWSA-N 1 0 238.331 2.450 20 5 BEBDRO C[N@H+](CCC1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039140 969355375 /nfs/dbraw/zinc/35/53/75/969355375.db2.gz NNSNFXFEHXGRAJ-NWDGAFQWSA-N 1 0 226.320 2.164 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCCC23CC3)C1 ZINC001169038646 969356052 /nfs/dbraw/zinc/35/60/52/969356052.db2.gz JUQLEKKLSXSEJV-NWDGAFQWSA-N 1 0 238.331 2.450 20 5 BEBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036628 969357266 /nfs/dbraw/zinc/35/72/66/969357266.db2.gz HCXXGSGHUQCYDC-SDDRHHMPSA-N 1 0 240.347 2.410 20 5 BEBDRO C[N@H+](CCC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039142 969358572 /nfs/dbraw/zinc/35/85/72/969358572.db2.gz NNSNFXFEHXGRAJ-VXGBXAGGSA-N 1 0 226.320 2.164 20 5 BEBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169026386 969365274 /nfs/dbraw/zinc/36/52/74/969365274.db2.gz LMXYZVQWBYHOCR-ZJUUUORDSA-N 1 0 214.309 2.162 20 5 BEBDRO C[N@H+](C1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596336 969744866 /nfs/dbraw/zinc/74/48/66/969744866.db2.gz COPQORWLKJCNJL-ZDUSSCGKSA-N 1 0 232.283 2.156 20 5 BEBDRO CC(C)[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595978 969746501 /nfs/dbraw/zinc/74/65/01/969746501.db2.gz APOQSMOEXXSNTJ-CYBMUJFWSA-N 1 0 234.299 2.402 20 5 BEBDRO Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001210393341 969881632 /nfs/dbraw/zinc/88/16/32/969881632.db2.gz ZHRBWSGRPUEGCQ-UHFFFAOYSA-N 1 0 245.238 2.169 20 5 BEBDRO Cc1ccc([N+](=O)[O-])cc1Nc1[nH+]ccn1C ZINC001211283461 970218371 /nfs/dbraw/zinc/21/83/71/970218371.db2.gz AOWQJYSGROOWSE-UHFFFAOYSA-N 1 0 232.243 2.380 20 5 BEBDRO COc1ccc(C[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329407 970710773 /nfs/dbraw/zinc/71/07/73/970710773.db2.gz QEJVKDYEQVHSFM-VIFPVBQESA-N 1 0 238.287 2.096 20 5 BEBDRO Cc1ccc(CO[C@@H](C)C[N+](C)(C)C)cn1 ZINC001223268078 972906311 /nfs/dbraw/zinc/90/63/11/972906311.db2.gz XMVVFAINOKBZMC-LBPRGKRZSA-N 1 0 223.340 2.001 20 5 BEBDRO Cc1cccnc1CO[C@@H](C)C[N+](C)(C)C ZINC001223340680 972978474 /nfs/dbraw/zinc/97/84/74/972978474.db2.gz KBDQWEWAGMMMIW-LBPRGKRZSA-N 1 0 223.340 2.001 20 5 BEBDRO Cc1cc(CO[C@@H](C)C[N+](C)(C)C)cc(C)n1 ZINC001223425797 973066678 /nfs/dbraw/zinc/06/66/78/973066678.db2.gz VFEMXTWGPXSJLZ-ZDUSSCGKSA-N 1 0 237.367 2.310 20 5 BEBDRO Cc1ccnc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001223505157 973110462 /nfs/dbraw/zinc/11/04/62/973110462.db2.gz ZTQJNFBHJNLFJD-GFCCVEGCSA-N 1 0 223.340 2.001 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCc1cccs1 ZINC001223865906 973304733 /nfs/dbraw/zinc/30/47/33/973304733.db2.gz WUKFRFVKGNOVAZ-SNVBAGLBSA-N 1 0 214.354 2.359 20 5 BEBDRO CO[C@H]1CCCC[C@@H]1OCCC[N+](C)(C)C ZINC001224621426 973802034 /nfs/dbraw/zinc/80/20/34/973802034.db2.gz UUDKBVYUDWSDDM-STQMWFEESA-N 1 0 230.372 2.057 20 5 BEBDRO C[C@H](OCC[N+](C)(C)C)c1cnc2ccccn21 ZINC001224771274 973935255 /nfs/dbraw/zinc/93/52/55/973935255.db2.gz IBMTXDGBOIILKM-LBPRGKRZSA-N 1 0 248.350 2.118 20 5 BEBDRO CCc1ncccc1O[C@@H](C)C[N+](C)(C)C ZINC001225455434 974503248 /nfs/dbraw/zinc/50/32/48/974503248.db2.gz FKUITIWACRYYTR-NSHDSACASA-N 1 0 223.340 2.118 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(O[C@H](C)C[NH+](C)C)c1 ZINC001225683042 974643452 /nfs/dbraw/zinc/64/34/52/974643452.db2.gz PVJZQHFIECFVJR-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(Cl)c1 ZINC001225781170 974679743 /nfs/dbraw/zinc/67/97/43/974679743.db2.gz JSCJDPJRXGYSLM-VIFPVBQESA-N 1 0 229.731 2.209 20 5 BEBDRO Cc1c(O)ccc(O[C@H](C)C[N+](C)(C)C)c1C ZINC001225778693 974680158 /nfs/dbraw/zinc/68/01/58/974680158.db2.gz YUMAMIIUJZJQOQ-SNVBAGLBSA-O 1 0 238.351 2.483 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Cl)c(F)c1 ZINC001225790186 974684216 /nfs/dbraw/zinc/68/42/16/974684216.db2.gz IZOJPXCVUHPFJU-MRVPVSSYSA-N 1 0 247.721 2.348 20 5 BEBDRO CC(=O)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225815594 974692846 /nfs/dbraw/zinc/69/28/46/974692846.db2.gz XMFSECTWJPAOEG-LLVKDONJSA-N 1 0 236.335 2.363 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1F ZINC001226126215 974800687 /nfs/dbraw/zinc/80/06/87/974800687.db2.gz HOQXIKOTHZADIX-SECBINFHSA-O 1 0 228.287 2.005 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c[nH]nc2c1 ZINC001226586342 974967244 /nfs/dbraw/zinc/96/72/44/974967244.db2.gz OETSUCZKQLQNRN-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc([N+](=O)[O-])c1 ZINC001226763436 975063616 /nfs/dbraw/zinc/06/36/16/975063616.db2.gz TUOJUYFFRYKCRF-SNVBAGLBSA-N 1 0 239.295 2.068 20 5 BEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC001173223897 975074535 /nfs/dbraw/zinc/07/45/35/975074535.db2.gz BJHMPMNQGGUFSL-NSHDSACASA-N 1 0 234.299 2.478 20 5 BEBDRO Cc1cc(O[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001226840536 975117961 /nfs/dbraw/zinc/11/79/61/975117961.db2.gz HEKCRPGNOARFIK-SNVBAGLBSA-N 1 0 238.287 2.232 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1F ZINC001227285815 975356784 /nfs/dbraw/zinc/35/67/84/975356784.db2.gz WWGKFDDYITVFGB-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO Cc1c(O)cccc1O[C@H](C)C[N+](C)(C)C ZINC001227432057 975409168 /nfs/dbraw/zinc/40/91/68/975409168.db2.gz SPGLKXNPXAZYGI-SNVBAGLBSA-O 1 0 224.324 2.174 20 5 BEBDRO Cc1cc(O)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227471519 975449028 /nfs/dbraw/zinc/44/90/28/975449028.db2.gz FLXLCBQCZRAYOO-NSHDSACASA-O 1 0 224.324 2.174 20 5 BEBDRO Cc1ccc(O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227538166 975527129 /nfs/dbraw/zinc/52/71/29/975527129.db2.gz GVVBTIPRCZHDHF-LLVKDONJSA-O 1 0 224.324 2.174 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001333438767 975772869 /nfs/dbraw/zinc/77/28/69/975772869.db2.gz DKMFPMJQDIFQRG-KGLIPLIRSA-N 1 0 248.326 2.264 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc2[nH]ccc2cc1O ZINC001228038218 975862445 /nfs/dbraw/zinc/86/24/45/975862445.db2.gz RBKQENYLOYNNQX-SNVBAGLBSA-O 1 0 249.334 2.347 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(C(F)F)c1 ZINC001228535335 976303680 /nfs/dbraw/zinc/30/36/80/976303680.db2.gz ZXMKQBPBOBIBRT-VIFPVBQESA-N 1 0 245.293 2.493 20 5 BEBDRO Cc1cnc(F)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228582629 976344646 /nfs/dbraw/zinc/34/46/46/976344646.db2.gz CEMASPLGUNDXSE-SNVBAGLBSA-N 1 0 227.303 2.003 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccccc2n1C ZINC001228656854 976411691 /nfs/dbraw/zinc/41/16/91/976411691.db2.gz BXRVFBFQWKHSTB-NSHDSACASA-N 1 0 248.350 2.047 20 5 BEBDRO Cc1cc(O[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001228833900 976513023 /nfs/dbraw/zinc/51/30/23/976513023.db2.gz ULZXVDPQUDDJHK-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC001335476985 977084717 /nfs/dbraw/zinc/08/47/17/977084717.db2.gz LOZYUABUHWYXGD-GFCCVEGCSA-N 1 0 226.320 2.212 20 5 BEBDRO Cc1ccc(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001230144535 977118284 /nfs/dbraw/zinc/11/82/84/977118284.db2.gz WXDPRXABBVNYCP-JTQLQIEISA-N 1 0 238.287 2.232 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccncc2n1 ZINC001230726519 977314018 /nfs/dbraw/zinc/31/40/18/977314018.db2.gz QJDWSOBRURILME-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc2c[nH]nc21 ZINC001230910173 977376158 /nfs/dbraw/zinc/37/61/58/977376158.db2.gz OKZQSUSOOQKBJO-NSHDSACASA-N 1 0 248.350 2.345 20 5 BEBDRO Cc1nc(CO[C@@H](C)C[N+](C)(C)C)cs1 ZINC001206453470 979118500 /nfs/dbraw/zinc/11/85/00/979118500.db2.gz DUXSDOBEGDFRQS-VIFPVBQESA-N 1 0 229.369 2.063 20 5 BEBDRO CC(C)[N@H+](CCc1ccccc1)CC[N+](=O)[O-] ZINC001351103549 982206779 /nfs/dbraw/zinc/20/67/79/982206779.db2.gz SHONPBLVCXOFAJ-UHFFFAOYSA-N 1 0 236.315 2.216 20 5 BEBDRO Cc1cc(C)cc(CN(C)CC[N+](=O)[O-])c1 ZINC001351398878 982311063 /nfs/dbraw/zinc/31/10/63/982311063.db2.gz KQSRTMPOKZJMFH-UHFFFAOYSA-N 1 0 222.288 2.012 20 5 BEBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001262257259 992824337 /nfs/dbraw/zinc/82/43/37/992824337.db2.gz GKTQDEDOKQAJEQ-WDEREUQCSA-N 1 0 214.309 2.068 20 5 BEBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293397870 398195860 /nfs/dbraw/zinc/19/58/60/398195860.db2.gz LISQJWJHUZINLW-ZJUUUORDSA-N 1 0 220.272 2.435 20 5 BEBDRO Cc1cc(NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000037715063 178160675 /nfs/dbraw/zinc/16/06/75/178160675.db2.gz DWWKBSRDAOUKAL-UHFFFAOYSA-N 1 0 223.276 2.054 20 5 BEBDRO Cc1cc(NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000053255058 178167468 /nfs/dbraw/zinc/16/74/68/178167468.db2.gz SDBZPMLOAFQAQN-NSHDSACASA-N 1 0 235.287 2.067 20 5 BEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600187409 342697729 /nfs/dbraw/zinc/69/77/29/342697729.db2.gz YARJLWQTICSTNK-TXEJJXNPSA-N 1 0 232.283 2.355 20 5 BEBDRO CC[C@@H]([NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000233892927 342895263 /nfs/dbraw/zinc/89/52/63/342895263.db2.gz UWJYGEKXFMCFND-ZCFIWIBFSA-N 1 0 245.229 2.022 20 5 BEBDRO CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040936199 534937253 /nfs/dbraw/zinc/93/72/53/534937253.db2.gz JJBIMYLFRGQXAW-UHFFFAOYSA-N 1 0 249.314 2.127 20 5 BEBDRO Cc1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000166847384 136364146 /nfs/dbraw/zinc/36/41/46/136364146.db2.gz SRRANZRVSDJVNX-LLVKDONJSA-N 1 0 249.314 2.457 20 5 BEBDRO O=[N+]([O-])c1ccccc1NCC[C@H]1CCC[NH2+]1 ZINC000166836488 136364209 /nfs/dbraw/zinc/36/42/09/136364209.db2.gz UZMNVFLZOSLSOL-SNVBAGLBSA-N 1 0 235.287 2.149 20 5 BEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000351499541 136368938 /nfs/dbraw/zinc/36/89/38/136368938.db2.gz CQRLTYAGGNJIQV-GHMZBOCLSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H](F)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602677516 343919462 /nfs/dbraw/zinc/91/94/62/343919462.db2.gz VSUJVYLLBNGJNQ-SNVBAGLBSA-N 1 0 240.278 2.475 20 5 BEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581051 343971998 /nfs/dbraw/zinc/97/19/98/343971998.db2.gz DAGWHARDMZYSLH-UHFFFAOYSA-N 1 0 247.254 2.330 20 5 BEBDRO CSCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070185002 345456963 /nfs/dbraw/zinc/45/69/63/345456963.db2.gz WGFWALWQGCTEDC-UHFFFAOYSA-N 1 0 232.330 2.109 20 5 BEBDRO Cc1c(CNCc2ccon2)cccc1[N+](=O)[O-] ZINC000148874105 346473516 /nfs/dbraw/zinc/47/35/16/346473516.db2.gz LGTNKFIKJJKXBX-UHFFFAOYSA-N 1 0 247.254 2.181 20 5 BEBDRO Cc1cccc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000235179784 179122763 /nfs/dbraw/zinc/12/27/63/179122763.db2.gz YDZBSOULXBAUEX-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]([NH3+])C1CC1 ZINC000158953045 346735667 /nfs/dbraw/zinc/73/56/67/346735667.db2.gz YYTPKXKWHUESMW-SNVBAGLBSA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216211256 179206827 /nfs/dbraw/zinc/20/68/27/179206827.db2.gz SZJZCFUPDACMRR-QWRGUYRKSA-N 1 0 249.314 2.077 20 5 BEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccccc1[N+](=O)[O-] ZINC000590568699 347470224 /nfs/dbraw/zinc/47/02/24/347470224.db2.gz JIHMHZZWGKCCBM-QWRGUYRKSA-N 1 0 249.314 2.124 20 5 BEBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595342372 348233660 /nfs/dbraw/zinc/23/36/60/348233660.db2.gz CARWLUJWZXIHNZ-IONNQARKSA-N 1 0 239.275 2.122 20 5 BEBDRO C[C@@H]1C[C@@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354432 349164706 /nfs/dbraw/zinc/16/47/06/349164706.db2.gz VPVXOSWSMLFGAV-NXEZZACHSA-N 1 0 247.298 2.004 20 5 BEBDRO C[C@H](CNc1sccc1[N+](=O)[O-])C[NH+](C)C ZINC000309336979 350322069 /nfs/dbraw/zinc/32/20/69/350322069.db2.gz JGCQMFJPYFQSMP-MRVPVSSYSA-N 1 0 243.332 2.266 20 5 BEBDRO C[C@H](CC[NH+](C)C)Nc1ccsc1[N+](=O)[O-] ZINC000309535272 350707613 /nfs/dbraw/zinc/70/76/13/350707613.db2.gz DXRIPGZLXDKNCM-MRVPVSSYSA-N 1 0 243.332 2.408 20 5 BEBDRO C[C@@H](CC[NH+](C)C)Nc1ccsc1[N+](=O)[O-] ZINC000309535273 350707766 /nfs/dbraw/zinc/70/77/66/350707766.db2.gz DXRIPGZLXDKNCM-QMMMGPOBSA-N 1 0 243.332 2.408 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000153006044 363017154 /nfs/dbraw/zinc/01/71/54/363017154.db2.gz PGMIUWPXSIXETI-UPJWGTAASA-N 1 0 248.282 2.004 20 5 BEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200533 352567313 /nfs/dbraw/zinc/56/73/13/352567313.db2.gz DNMXOIOXJDLMNI-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000044537602 352654727 /nfs/dbraw/zinc/65/47/27/352654727.db2.gz SZKHJBAYBVHMES-NSHDSACASA-N 1 0 249.314 2.349 20 5 BEBDRO Cc1cc(N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000049840546 188218389 /nfs/dbraw/zinc/21/83/89/188218389.db2.gz CTGJPHMXESYUGY-LLVKDONJSA-N 1 0 235.287 2.067 20 5 BEBDRO CCC[C@H]1C[NH2+]CCN1c1ccccc1[N+](=O)[O-] ZINC000420240453 192184493 /nfs/dbraw/zinc/18/44/93/192184493.db2.gz URBJLIRTTKYSHH-NSHDSACASA-N 1 0 249.314 2.173 20 5 BEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000420635274 192252999 /nfs/dbraw/zinc/25/29/99/192252999.db2.gz LYPNWAMLYMIFRF-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089212506 357138321 /nfs/dbraw/zinc/13/83/21/357138321.db2.gz BLZUUPAHIQRLBC-UHFFFAOYSA-N 1 0 236.271 2.068 20 5 BEBDRO CC[C@@H]([NH2+][C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602182 358002421 /nfs/dbraw/zinc/00/24/21/358002421.db2.gz YMZYDDOIMRWRPL-BXKDBHETSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@@H]([NH2+]Cc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000038005990 361374603 /nfs/dbraw/zinc/37/46/03/361374603.db2.gz IODJZEDFFLEWMS-SECBINFHSA-N 1 0 246.270 2.169 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCC2)c1 ZINC000037179582 361721446 /nfs/dbraw/zinc/72/14/46/361721446.db2.gz AEUVFZUXOHOHGX-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO [NH3+]CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000104212090 181382961 /nfs/dbraw/zinc/38/29/61/181382961.db2.gz BQQLDRQZEVHSCL-UHFFFAOYSA-N 1 0 245.229 2.293 20 5 BEBDRO COC[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000193898480 367225158 /nfs/dbraw/zinc/22/51/58/367225158.db2.gz HJLJGJUPRNGRSH-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO Cn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000091008485 368953605 /nfs/dbraw/zinc/95/36/05/368953605.db2.gz QCOLMDVPFWAVIU-UHFFFAOYSA-N 1 0 245.282 2.223 20 5 BEBDRO CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504501 371815688 /nfs/dbraw/zinc/81/56/88/371815688.db2.gz RXAVTDCVTLDRJT-UHFFFAOYSA-N 1 0 235.243 2.236 20 5 BEBDRO C[C@@H](CF)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602664272 371828112 /nfs/dbraw/zinc/82/81/12/371828112.db2.gz YPPAOHSWBSVMEV-VIFPVBQESA-N 1 0 226.251 2.085 20 5 BEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922553 372079162 /nfs/dbraw/zinc/07/91/62/372079162.db2.gz NQLKSZNGIZUAAF-BXKDBHETSA-N 1 0 238.287 2.016 20 5 BEBDRO CCC[NH2+]CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000094663278 169260694 /nfs/dbraw/zinc/26/06/94/169260694.db2.gz XUVLSRPAJHIGBW-UHFFFAOYSA-N 1 0 237.303 2.315 20 5 BEBDRO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000035414724 169267215 /nfs/dbraw/zinc/26/72/15/169267215.db2.gz DXHGXQYOHXTPDH-UHFFFAOYSA-N 1 0 238.287 2.493 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)c1 ZINC000126383968 383924265 /nfs/dbraw/zinc/92/42/65/383924265.db2.gz CHXOKXIRIQWRFY-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO C[C@H](F)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000339482649 383988674 /nfs/dbraw/zinc/98/86/74/383988674.db2.gz IBXIRPRZZSZHRL-VIFPVBQESA-N 1 0 226.251 2.433 20 5 BEBDRO C[NH+](C)CCSc1cccc([N+](=O)[O-])c1 ZINC000337914731 384043154 /nfs/dbraw/zinc/04/31/54/384043154.db2.gz NTCOSESIEQSLMX-UHFFFAOYSA-N 1 0 226.301 2.249 20 5 BEBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000308648982 384340686 /nfs/dbraw/zinc/34/06/86/384340686.db2.gz UTPIOMBWDCLXEJ-UHFFFAOYSA-N 1 0 237.303 2.347 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1=CCCOC1 ZINC000178160153 385195688 /nfs/dbraw/zinc/19/56/88/385195688.db2.gz RVBJRUPHCCEBFZ-UHFFFAOYSA-N 1 0 248.282 2.031 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC000397913197 385729190 /nfs/dbraw/zinc/72/91/90/385729190.db2.gz BQNLAYBSHLXYPZ-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)cc1 ZINC000342213441 385873308 /nfs/dbraw/zinc/87/33/08/385873308.db2.gz NZYQVMTYISWJHO-ZJUUUORDSA-N 1 0 242.225 2.338 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC1 ZINC000449068651 386018172 /nfs/dbraw/zinc/01/81/72/386018172.db2.gz UAIULTNZRZNTRQ-VIFPVBQESA-N 1 0 220.272 2.278 20 5 BEBDRO Cc1ccc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000229326236 386166087 /nfs/dbraw/zinc/16/60/87/386166087.db2.gz AQPSHTCMECAIDL-NSHDSACASA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1ccc(NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000229326248 386167382 /nfs/dbraw/zinc/16/73/82/386167382.db2.gz AQPSHTCMECAIDL-LLVKDONJSA-N 1 0 249.314 2.409 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CC[NH2+]C2)c1 ZINC000094663324 386466297 /nfs/dbraw/zinc/46/62/97/386466297.db2.gz AQRMZDRBDGGGFP-NSHDSACASA-N 1 0 249.314 2.315 20 5 BEBDRO CS[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122216116 388368155 /nfs/dbraw/zinc/36/81/55/388368155.db2.gz NDGUADDBWFLAPS-VIFPVBQESA-N 1 0 240.328 2.436 20 5 BEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000091480269 388632697 /nfs/dbraw/zinc/63/26/97/388632697.db2.gz MIANLNMEKCJADG-JTQLQIEISA-N 1 0 249.314 2.489 20 5 BEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC12CC2 ZINC000424187733 388694921 /nfs/dbraw/zinc/69/49/21/388694921.db2.gz WIQJAZCWPATJKK-NSHDSACASA-N 1 0 218.256 2.237 20 5 BEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000080984606 388716054 /nfs/dbraw/zinc/71/60/54/388716054.db2.gz JWGSMBJFWYCKGY-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913583 388718253 /nfs/dbraw/zinc/71/82/53/388718253.db2.gz NTLLRCZOSRGLJP-SNVBAGLBSA-N 1 0 249.314 2.489 20 5 BEBDRO CSC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000124977067 388764190 /nfs/dbraw/zinc/76/41/90/388764190.db2.gz CHQJXUMRTQBGRD-ZETCQYMHSA-N 1 0 246.357 2.497 20 5 BEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCF ZINC000280633825 388785264 /nfs/dbraw/zinc/78/52/64/388785264.db2.gz HMRCVWKTAUPFNJ-HWKANZROSA-N 1 0 224.235 2.167 20 5 BEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000282417461 388816497 /nfs/dbraw/zinc/81/64/97/388816497.db2.gz JANZHOYPUWSLLG-UHFFFAOYSA-N 1 0 234.299 2.479 20 5 BEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000153169145 388946161 /nfs/dbraw/zinc/94/61/61/388946161.db2.gz CBNPUQMFNVPJHR-UHFFFAOYSA-N 1 0 232.283 2.363 20 5 BEBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000070534456 132231372 /nfs/dbraw/zinc/23/13/72/132231372.db2.gz QIQCKFHRYNPAMD-QWRGUYRKSA-N 1 0 249.314 2.158 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H]2C[NH3+])c1 ZINC000094663263 132238977 /nfs/dbraw/zinc/23/89/77/132238977.db2.gz GSJBYYPTAFMAPO-LLVKDONJSA-N 1 0 249.314 2.221 20 5 BEBDRO C[NH2+]CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000063166317 132241565 /nfs/dbraw/zinc/24/15/65/132241565.db2.gz NQJPXQOBNMBSOM-UHFFFAOYSA-N 1 0 249.314 2.031 20 5 BEBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356831297 132272244 /nfs/dbraw/zinc/27/22/44/132272244.db2.gz VCYGYUVNTOAATG-NSHDSACASA-N 1 0 249.314 2.044 20 5 BEBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000169011943 134248787 /nfs/dbraw/zinc/24/87/87/134248787.db2.gz IXUYKKGIMZXPJL-QMMMGPOBSA-N 1 0 241.266 2.096 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C[NH3+])C1 ZINC000158932896 134755217 /nfs/dbraw/zinc/75/52/17/134755217.db2.gz KTHCLXMCBOVSKM-NSHDSACASA-N 1 0 249.314 2.078 20 5 BEBDRO Cc1ccc(N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000261560525 135201279 /nfs/dbraw/zinc/20/12/79/135201279.db2.gz AAIHONAKFLZTAS-RKDXNWHRSA-N 1 0 223.276 2.051 20 5 BEBDRO Cc1cccc(N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261581316 135222878 /nfs/dbraw/zinc/22/28/78/135222878.db2.gz QOKYRMKALASTEH-ZDUSSCGKSA-N 1 0 249.314 2.078 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H](C)[NH3+] ZINC000261594955 135234990 /nfs/dbraw/zinc/23/49/90/135234990.db2.gz XVWDGHYCYBDUIS-IUCAKERBSA-N 1 0 223.276 2.051 20 5 BEBDRO CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000063034285 1172796085 /nfs/dbraw/zinc/79/60/85/1172796085.db2.gz XZQMNSHOXYVGNV-MRVPVSSYSA-N 1 0 226.251 2.274 20 5 BEBDRO CC(C)OCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926275 167241511 /nfs/dbraw/zinc/24/15/11/167241511.db2.gz LXCCNJBEJKRJSF-UHFFFAOYSA-N 1 0 238.287 2.109 20 5 BEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035014090 169958306 /nfs/dbraw/zinc/95/83/06/169958306.db2.gz DXBMXDOLQDUNCV-UHFFFAOYSA-N 1 0 249.314 2.491 20 5 BEBDRO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000035414713 170125628 /nfs/dbraw/zinc/12/56/28/170125628.db2.gz DJWAFHSDJONAMT-UHFFFAOYSA-N 1 0 246.213 2.306 20 5 BEBDRO C[NH2+]C[C@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000310498669 173375432 /nfs/dbraw/zinc/37/54/32/173375432.db2.gz LIBJHLHMLGOJJW-QMMMGPOBSA-N 1 0 241.266 2.001 20 5 BEBDRO COCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648879 174248640 /nfs/dbraw/zinc/24/86/40/174248640.db2.gz AMEGWFVWTLCOMT-UHFFFAOYSA-N 1 0 238.287 2.029 20 5 BEBDRO C[C@@H](CSc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000358876056 175764970 /nfs/dbraw/zinc/76/49/70/175764970.db2.gz BMSQVYLBQKCMNB-QMMMGPOBSA-N 1 0 241.316 2.032 20 5 BEBDRO C[C@@H]1C[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000124735853 176396483 /nfs/dbraw/zinc/39/64/83/176396483.db2.gz YEEBQPNXAPFSBL-ZYHUDNBSSA-N 1 0 234.299 2.383 20 5 BEBDRO C[C@@H]1C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052272246 176446192 /nfs/dbraw/zinc/44/61/92/176446192.db2.gz XTHBXAHCYVEIQS-LDYMZIIASA-N 1 0 206.245 2.093 20 5 BEBDRO C[C@H]1CC[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000354086774 177157351 /nfs/dbraw/zinc/15/73/51/177157351.db2.gz TZZMUAGACGOVDO-NSHDSACASA-N 1 0 249.314 2.125 20 5 BEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000293525759 177254722 /nfs/dbraw/zinc/25/47/22/177254722.db2.gz WLPWHAUABDDJLV-WDEREUQCSA-N 1 0 234.299 2.478 20 5 BEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293454275 177263428 /nfs/dbraw/zinc/26/34/28/177263428.db2.gz POWWIXPZOOJDRW-UWVGGRQHSA-N 1 0 220.272 2.435 20 5 BEBDRO C[C@H]1C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000136336737 177382224 /nfs/dbraw/zinc/38/22/24/177382224.db2.gz SEEAPPSVHOWGPC-CBAPKCEASA-N 1 0 226.301 2.402 20 5 BEBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000229595519 177395059 /nfs/dbraw/zinc/39/50/59/177395059.db2.gz KKDJXRZWQUCNKN-SKDRFNHKSA-N 1 0 235.287 2.147 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397857729 262937901 /nfs/dbraw/zinc/93/79/01/262937901.db2.gz CWRPZBGTVUMUCV-ZSBIGDGJSA-N 1 0 232.283 2.483 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2=CCOCC2)c1 ZINC000397761795 323091836 /nfs/dbraw/zinc/09/18/36/323091836.db2.gz KZIMDRTXZJCENR-UHFFFAOYSA-N 1 0 248.282 2.031 20 5 BEBDRO COC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135231330 325401178 /nfs/dbraw/zinc/40/11/78/325401178.db2.gz SKINGGLWYNEFGL-UHFFFAOYSA-N 1 0 238.287 2.109 20 5 BEBDRO C[NH2+]CCSCc1csc([N+](=O)[O-])c1 ZINC000567809895 326261076 /nfs/dbraw/zinc/26/10/76/326261076.db2.gz FAXWUAONJQSFEZ-UHFFFAOYSA-N 1 0 232.330 2.109 20 5 BEBDRO C[NH2+][C@@H]1CCCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000234418384 536365909 /nfs/dbraw/zinc/36/59/09/536365909.db2.gz XRZCTQVBQHXVMR-LLVKDONJSA-N 1 0 249.314 2.091 20 5 BEBDRO COc1cc(C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000351972023 536745838 /nfs/dbraw/zinc/74/58/38/536745838.db2.gz ZCEXTTONWBWAJW-UHFFFAOYSA-N 1 0 236.271 2.198 20 5 BEBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000895057172 583575148 /nfs/dbraw/zinc/57/51/48/583575148.db2.gz FCPWMLUUCSXYCG-LLVKDONJSA-N 1 0 249.314 2.173 20 5 BEBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000895057178 583575324 /nfs/dbraw/zinc/57/53/24/583575324.db2.gz FCPWMLUUCSXYCG-NSHDSACASA-N 1 0 249.314 2.173 20 5 BEBDRO C/C=C/C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538312 588963492 /nfs/dbraw/zinc/96/34/92/588963492.db2.gz TVVCQRCILLEMOI-CDAZIORVSA-N 1 0 235.287 2.404 20 5 BEBDRO C/C=C/C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538313 588963577 /nfs/dbraw/zinc/96/35/77/588963577.db2.gz TVVCQRCILLEMOI-NWALNABHSA-N 1 0 235.287 2.404 20 5 BEBDRO CC[C@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902418595 584591696 /nfs/dbraw/zinc/59/16/96/584591696.db2.gz WXZVVEPIIFOTMH-LBPRGKRZSA-N 1 0 249.314 2.127 20 5 BEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000761090467 585407894 /nfs/dbraw/zinc/40/78/94/585407894.db2.gz KEDKZQYQURQIMS-PWSUYJOCSA-N 1 0 218.256 2.189 20 5 BEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761093630 585408542 /nfs/dbraw/zinc/40/85/42/585408542.db2.gz OKAYMNBJIVQEBR-PWSUYJOCSA-N 1 0 218.256 2.189 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000787720736 585914558 /nfs/dbraw/zinc/91/45/58/585914558.db2.gz ZWFGAHBZCSPHGM-CQSZACIVSA-N 1 0 248.326 2.360 20 5 BEBDRO CC(C)(C)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791052110 585972685 /nfs/dbraw/zinc/97/26/85/585972685.db2.gz LKVQYAPHGLOCON-LLVKDONJSA-N 1 0 228.336 2.411 20 5 BEBDRO NC(=NOCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000871763320 589809702 /nfs/dbraw/zinc/80/97/02/589809702.db2.gz DFTGMWCSUUAGRV-UHFFFAOYSA-N 1 0 249.270 2.393 20 5 BEBDRO CC[N@H+](Cn1nccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000125343205 590162063 /nfs/dbraw/zinc/16/20/63/590162063.db2.gz JXFWSERETMBXBR-SNVBAGLBSA-N 1 0 240.307 2.115 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(CC3)C2)cc1 ZINC000877556431 590357823 /nfs/dbraw/zinc/35/78/23/590357823.db2.gz GJAXWOLMXJWYHQ-UHFFFAOYSA-N 1 0 232.283 2.233 20 5 BEBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000878316246 590542084 /nfs/dbraw/zinc/54/20/84/590542084.db2.gz HNKYKMKGXJNMOC-YPMHNXCESA-N 1 0 232.283 2.497 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000885985717 592122214 /nfs/dbraw/zinc/12/22/14/592122214.db2.gz OTMDEZABSUUFJB-GFCCVEGCSA-N 1 0 247.298 2.364 20 5 BEBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886098424 592147914 /nfs/dbraw/zinc/14/79/14/592147914.db2.gz MBZULQFLHIAVDM-WDEREUQCSA-N 1 0 249.314 2.468 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000886243456 592184800 /nfs/dbraw/zinc/18/48/00/592184800.db2.gz ZJWVZSIQNAJIHQ-ADEWGFFLSA-N 1 0 247.298 2.268 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(C2CCC2)CC1 ZINC000886268005 592190699 /nfs/dbraw/zinc/19/06/99/592190699.db2.gz ZOCLINVOMIKDBK-UHFFFAOYSA-N 1 0 247.298 2.412 20 5 BEBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000886332401 592211248 /nfs/dbraw/zinc/21/12/48/592211248.db2.gz TVALXVAUFXRJOH-DTORHVGOSA-N 1 0 236.246 2.186 20 5 BEBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000089092113 636374652 /nfs/dbraw/zinc/37/46/52/636374652.db2.gz RVQMNUMRGWODBC-UWVGGRQHSA-N 1 0 235.287 2.134 20 5 BEBDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905190510 637671200 /nfs/dbraw/zinc/67/12/00/637671200.db2.gz KZYAKRKHDZECCI-MFKMUULPSA-N 1 0 234.299 2.176 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000905230375 637690897 /nfs/dbraw/zinc/69/08/97/637690897.db2.gz LHCSBSOOAGIQFO-ZIAGYGMSSA-N 1 0 248.326 2.264 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000905242922 637702913 /nfs/dbraw/zinc/70/29/13/637702913.db2.gz GAEMUGLMBPBTSH-WDEREUQCSA-N 1 0 240.690 2.062 20 5 BEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2sccc2c1 ZINC000905259289 637715407 /nfs/dbraw/zinc/71/54/07/637715407.db2.gz CLGKQZDOVKPIDL-UHFFFAOYSA-N 1 0 236.296 2.268 20 5 BEBDRO Cc1cc(CC[NH2+]CC[N+](=O)[O-])ccc1Cl ZINC000905263746 637717416 /nfs/dbraw/zinc/71/74/16/637717416.db2.gz PIXXHSDGCYAOMH-UHFFFAOYSA-N 1 0 242.706 2.057 20 5 BEBDRO C[C@H](CC1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905238545 637723208 /nfs/dbraw/zinc/72/32/08/637723208.db2.gz RICCLBQXNXWROE-SNVBAGLBSA-N 1 0 214.309 2.212 20 5 BEBDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272954 637732097 /nfs/dbraw/zinc/73/20/97/637732097.db2.gz JBDZWHRJLDNMTM-GHMZBOCLSA-N 1 0 214.309 2.069 20 5 BEBDRO CC1(C)CCC[C@H]1CC[NH2+]CC[N+](=O)[O-] ZINC000905383855 637784511 /nfs/dbraw/zinc/78/45/11/637784511.db2.gz CGOWPIVNEIGOMY-JTQLQIEISA-N 1 0 214.309 2.069 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000905397655 637794608 /nfs/dbraw/zinc/79/46/08/637794608.db2.gz GMSIOFJYVOYCLB-NSHDSACASA-N 1 0 240.690 2.194 20 5 BEBDRO CC(C)(C)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930295043 639686610 /nfs/dbraw/zinc/68/66/10/639686610.db2.gz CDFYGHGTNLONJO-JTQLQIEISA-N 1 0 214.309 2.021 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000930564800 639811590 /nfs/dbraw/zinc/81/15/90/639811590.db2.gz NUMQOZAYICGBQA-CYBMUJFWSA-N 1 0 234.299 2.143 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000930594456 639815838 /nfs/dbraw/zinc/81/58/38/639815838.db2.gz MHEVIHRRRZIONN-SNVBAGLBSA-N 1 0 234.299 2.491 20 5 BEBDRO CC(C)C[C@]1(C)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930608621 639819448 /nfs/dbraw/zinc/81/94/48/639819448.db2.gz RPWSPUSNJDYOJY-NSHDSACASA-N 1 0 214.309 2.164 20 5 BEBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000931740754 640343691 /nfs/dbraw/zinc/34/36/91/640343691.db2.gz FZMMRCJLQMMNQY-ZDUSSCGKSA-N 1 0 236.315 2.120 20 5 BEBDRO Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000229610060 640968750 /nfs/dbraw/zinc/96/87/50/640968750.db2.gz CILWBGNCIBRXLH-ZYHUDNBSSA-N 1 0 249.314 2.456 20 5 BEBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929694723 641400112 /nfs/dbraw/zinc/40/01/12/641400112.db2.gz ZEGOJGYQGLWOHG-QWRGUYRKSA-N 1 0 214.309 2.164 20 5 BEBDRO Cc1cc(C)c(Cn2ccnc2[N+](=O)[O-])c(C)[nH+]1 ZINC000918388032 642195607 /nfs/dbraw/zinc/19/56/07/642195607.db2.gz VRROFZPQUWPIFQ-UHFFFAOYSA-N 1 0 246.270 2.160 20 5 BEBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000929260198 646042229 /nfs/dbraw/zinc/04/22/29/646042229.db2.gz VIZKDHIOWGMACQ-GRYCIOLGSA-N 1 0 226.320 2.164 20 5 BEBDRO CC[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000929334310 646084629 /nfs/dbraw/zinc/08/46/29/646084629.db2.gz VIEAAIMSCDQASP-SNVBAGLBSA-N 1 0 240.278 2.485 20 5 BEBDRO Cc1ccccc1[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929458733 646126016 /nfs/dbraw/zinc/12/60/16/646126016.db2.gz QVZHSEMOBDDTRI-LBPRGKRZSA-N 1 0 234.299 2.061 20 5 BEBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929768389 646295954 /nfs/dbraw/zinc/29/59/54/646295954.db2.gz JEIIBVPDJPVCBI-TZMCWYRMSA-N 1 0 248.326 2.216 20 5 BEBDRO CC(C)C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929836597 646353101 /nfs/dbraw/zinc/35/31/01/646353101.db2.gz VIHZEXKUFIEWNT-LLVKDONJSA-N 1 0 214.309 2.021 20 5 BEBDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929852997 646361845 /nfs/dbraw/zinc/36/18/45/646361845.db2.gz FPYPIHHJIVNDOD-NSHDSACASA-N 1 0 214.309 2.164 20 5 BEBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000929860323 646362628 /nfs/dbraw/zinc/36/26/28/646362628.db2.gz FNLFVAKWSQYAMY-GFCCVEGCSA-N 1 0 240.278 2.389 20 5 BEBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(C)cc1 ZINC000930181655 646481947 /nfs/dbraw/zinc/48/19/47/646481947.db2.gz ABJUZAPCMDLVDT-LBPRGKRZSA-N 1 0 222.288 2.312 20 5 BEBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930189763 646484317 /nfs/dbraw/zinc/48/43/17/646484317.db2.gz YIQMUTWXRZNALD-LLVKDONJSA-N 1 0 208.261 2.004 20 5 BEBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000229595528 711838430 /nfs/dbraw/zinc/83/84/30/711838430.db2.gz KKDJXRZWQUCNKN-JOYOIKCWSA-N 1 0 235.287 2.147 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C)([NH3+])CC1 ZINC000704573833 712112872 /nfs/dbraw/zinc/11/28/72/712112872.db2.gz OBCGWZDNUPERLJ-UHFFFAOYSA-N 1 0 249.314 2.221 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C ZINC000712603132 712436940 /nfs/dbraw/zinc/43/69/40/712436940.db2.gz DUKHJHKNORBBQD-LLVKDONJSA-N 1 0 235.287 2.019 20 5 BEBDRO CC[N@@H+]1CC[C@@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000712612815 712438167 /nfs/dbraw/zinc/43/81/67/712438167.db2.gz CXBWNQAWXBRXEL-LLVKDONJSA-N 1 0 249.314 2.409 20 5 BEBDRO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000038006127 712799000 /nfs/dbraw/zinc/79/90/00/712799000.db2.gz BHIGVUVLIMLSJG-VIFPVBQESA-N 1 0 246.270 2.169 20 5 BEBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000719581247 712812696 /nfs/dbraw/zinc/81/26/96/712812696.db2.gz STWZSSHDSGYURB-JOYOIKCWSA-N 1 0 235.287 2.099 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719622503 712817336 /nfs/dbraw/zinc/81/73/36/712817336.db2.gz FTJQZEHSAYWDRS-MNOVXSKESA-N 1 0 249.314 2.408 20 5 BEBDRO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000719622234 712817463 /nfs/dbraw/zinc/81/74/63/712817463.db2.gz FPSUPCIAAHCQNW-WDEREUQCSA-N 1 0 249.314 2.408 20 5 BEBDRO CC1(C)CC(=O)CC[C@@H]1OCCC[N+](C)(C)C ZINC001224622972 964810001 /nfs/dbraw/zinc/81/00/01/964810001.db2.gz JMRHNZUZZUZZKF-ZDUSSCGKSA-N 1 0 242.383 2.247 20 5 BEBDRO C[C@H]1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224776525 964940470 /nfs/dbraw/zinc/94/04/70/964940470.db2.gz XBYUGLNWAVBFRR-RYUDHWBXSA-N 1 0 200.346 2.288 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CCC2)C1 ZINC001168979166 969298002 /nfs/dbraw/zinc/29/80/02/969298002.db2.gz WRIUSSRLOIXLJE-NWDGAFQWSA-N 1 0 226.320 2.212 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001168961182 969312374 /nfs/dbraw/zinc/31/23/74/969312374.db2.gz HQDKLIJITDPAOJ-NEPJUHHUSA-N 1 0 226.320 2.212 20 5 BEBDRO C[N@H+](C1CC(F)(F)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009648 969334470 /nfs/dbraw/zinc/33/44/70/969334470.db2.gz WVHVEVVYIBVRJI-BDAKNGLRSA-N 1 0 248.273 2.161 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2C3CCC2CC3)C1 ZINC001169037211 969358453 /nfs/dbraw/zinc/35/84/53/969358453.db2.gz RDTJQJFTKFYWST-XKGSQUFQSA-N 1 0 224.304 2.059 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC1 ZINC001173217317 975071565 /nfs/dbraw/zinc/07/15/65/975071565.db2.gz SXSMPHDOHIMGJF-SECBINFHSA-N 1 0 220.272 2.278 20 5 BEBDRO COc1cccc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001227164366 975297597 /nfs/dbraw/zinc/29/75/97/975297597.db2.gz ISFYELFGIGUIIS-LBPRGKRZSA-N 1 0 238.351 2.477 20 5 BEBDRO CCc1ccc(O[C@H](C)C[N+](C)(C)C)nc1 ZINC001230851534 1168440872 /nfs/dbraw/zinc/44/08/72/1168440872.db2.gz QUWRDSBEFWNYCO-LLVKDONJSA-N 1 0 223.340 2.118 20 5 BEBDRO CCc1ccc(O[C@@H](C)C[N+](C)(C)C)nc1 ZINC001230851538 1168441017 /nfs/dbraw/zinc/44/10/17/1168441017.db2.gz QUWRDSBEFWNYCO-NSHDSACASA-N 1 0 223.340 2.118 20 5 BEBDRO Cc1[nH+]cc(Nc2cc(O)cc([N+](=O)[O-])c2)n1C ZINC001199828453 1168832182 /nfs/dbraw/zinc/83/21/82/1168832182.db2.gz INPMMWSZVSFMAM-UHFFFAOYSA-N 1 0 248.242 2.086 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Cl)c(F)c1 ZINC001225790187 974684791 /nfs/dbraw/zinc/68/47/91/974684791.db2.gz IZOJPXCVUHPFJU-QMMMGPOBSA-N 1 0 247.721 2.348 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1CCCC[C@H]1F ZINC001224620841 973802576 /nfs/dbraw/zinc/80/25/76/973802576.db2.gz GVQGMPJOMBAKFA-VXGBXAGGSA-N 1 0 218.336 2.380 20 5 BEBDRO C[C@@H](OCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001217887089 971482015 /nfs/dbraw/zinc/48/20/15/971482015.db2.gz FAXXNTUIHUGLAR-SECBINFHSA-N 1 0 224.260 2.021 20 5 BEBDRO Cc1cc([N+](=O)[O-])cc(NCC[C@@H](C)[NH3+])c1F ZINC001170890112 972040106 /nfs/dbraw/zinc/04/01/06/972040106.db2.gz FHYRNANPFQPFCY-MRVPVSSYSA-N 1 0 241.266 2.192 20 5 BEBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])ccc1Cl ZINC001170890781 972042711 /nfs/dbraw/zinc/04/27/11/972042711.db2.gz HCRUGACSWWLEHN-SSDOTTSWSA-N 1 0 243.694 2.397 20 5 BEBDRO [NH2+]=CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167869232 961367143 /nfs/dbraw/zinc/36/71/43/961367143.db2.gz UFLLOHCVANPMAC-UHFFFAOYSA-N 1 0 216.200 2.162 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cnoc2c1 ZINC001226452362 963194194 /nfs/dbraw/zinc/19/41/94/963194194.db2.gz ZSVPEXZXUXYZKU-SNVBAGLBSA-N 1 0 235.307 2.301 20 5 BEBDRO C[N+](C)(C)CCCO[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001224622934 964809062 /nfs/dbraw/zinc/80/90/62/964809062.db2.gz JALOJSGZFOJRKD-YNEHKIRRSA-N 1 0 212.357 2.288 20 5 BEBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccnc1 ZINC001224620395 964809476 /nfs/dbraw/zinc/80/94/76/964809476.db2.gz YCWHIPMZHCRZLI-GFCCVEGCSA-N 1 0 223.340 2.256 20 5 BEBDRO COc1ccc(C[NH2+][C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000698298220 965193653 /nfs/dbraw/zinc/19/36/53/965193653.db2.gz FHZGNRPPTCTRAO-LLVKDONJSA-N 1 0 248.282 2.412 20 5 BEBDRO [NH3+]CCONc1ccc([N+](=O)[O-])c2ccccc12 ZINC001164435519 965883379 /nfs/dbraw/zinc/88/33/79/965883379.db2.gz IQEQKKVLHOZJDI-UHFFFAOYSA-N 1 0 247.254 2.050 20 5 BEBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001168793427 969213982 /nfs/dbraw/zinc/21/39/82/969213982.db2.gz QIIUSUZLGJCNKX-LBPRGKRZSA-N 1 0 240.278 2.452 20 5 BEBDRO Cc1occc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978229 969298361 /nfs/dbraw/zinc/29/83/61/969298361.db2.gz QCEMVARNXCWFHU-CMPLNLGQSA-N 1 0 238.287 2.123 20 5 BEBDRO CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168955458 969304633 /nfs/dbraw/zinc/30/46/33/969304633.db2.gz AMRPNDWFNFMXIA-ZJUUUORDSA-N 1 0 214.309 2.068 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC001168956965 969307282 /nfs/dbraw/zinc/30/72/82/969307282.db2.gz DALISVGLZXVACV-NNYUYHANSA-N 1 0 244.310 2.302 20 5 BEBDRO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958338 969307475 /nfs/dbraw/zinc/30/74/75/969307475.db2.gz MTDPQVBPLAGBNF-GARJFASQSA-N 1 0 214.309 2.068 20 5 BEBDRO CC(C)[C@@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975280 969325119 /nfs/dbraw/zinc/32/51/19/969325119.db2.gz VWQGDJFHCNODQT-MXWKQRLJSA-N 1 0 214.309 2.066 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CC3CC3)CC2)C1 ZINC001169006486 969328752 /nfs/dbraw/zinc/32/87/52/969328752.db2.gz YAYIPXQPQBIVIA-NWDGAFQWSA-N 1 0 238.331 2.354 20 5 BEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](F)CC2)C1 ZINC001169014058 969342884 /nfs/dbraw/zinc/34/28/84/969342884.db2.gz YQYJAIHIWDBPFH-GRYCIOLGSA-N 1 0 244.310 2.256 20 5 BEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC3(CCC3)C2)C1 ZINC001169037565 969355721 /nfs/dbraw/zinc/35/57/21/969355721.db2.gz SOFBTTCXSKHVQC-NWDGAFQWSA-N 1 0 238.331 2.308 20 5 BEBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169046849 969363668 /nfs/dbraw/zinc/36/36/68/969363668.db2.gz NTGXOOAQXJHDBB-QJPTWQEYSA-N 1 0 238.331 2.306 20 5 BEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC=CC1 ZINC001254550527 969735384 /nfs/dbraw/zinc/73/53/84/969735384.db2.gz LEJCNJPMQXJEGT-NSHDSACASA-N 1 0 232.283 2.398 20 5 BEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCC1CC1)C2 ZINC001254574006 969739445 /nfs/dbraw/zinc/73/94/45/969739445.db2.gz FGINIJOCUFBOMM-ZDUSSCGKSA-N 1 0 246.310 2.452 20 5 BEBDRO CC(C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567932 969741402 /nfs/dbraw/zinc/74/14/02/969741402.db2.gz RATVPERNGDUFAC-NSHDSACASA-N 1 0 220.272 2.060 20 5 BEBDRO CC(C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569487 969741094 /nfs/dbraw/zinc/74/10/94/969741094.db2.gz YNFVGIGCYRSLMW-GFCCVEGCSA-N 1 0 234.299 2.308 20 5 BEBDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564836 969741734 /nfs/dbraw/zinc/74/17/34/969741734.db2.gz ATYADHAPVVNRBK-ICCXJUOJSA-N 1 0 246.310 2.308 20 5 BEBDRO CCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568840 969742181 /nfs/dbraw/zinc/74/21/81/969742181.db2.gz UXXRRTLCOTXBJZ-LBPRGKRZSA-N 1 0 234.299 2.452 20 5 BEBDRO C[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593131 969744169 /nfs/dbraw/zinc/74/41/69/969744169.db2.gz IXIYYGJOAXSAML-HZMBPMFUSA-N 1 0 246.310 2.404 20 5 BEBDRO CC1(C)C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596075 969745690 /nfs/dbraw/zinc/74/56/90/969745690.db2.gz BPKJDCIUZXIKQJ-ZDUSSCGKSA-N 1 0 246.310 2.404 20 5 BEBDRO C[C@H](C[NH+](C)C)OCc1cccc([N+](=O)[O-])c1 ZINC001222769296 972690182 /nfs/dbraw/zinc/69/01/82/972690182.db2.gz TYGPIPAEYFOUME-SNVBAGLBSA-N 1 0 238.287 2.062 20 5 BEBDRO Cc1cncc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001223042829 972815100 /nfs/dbraw/zinc/81/51/00/972815100.db2.gz KABGTMKDSWLBHE-LBPRGKRZSA-N 1 0 223.340 2.001 20 5 BEBDRO Cc1ccncc1CO[C@H](C)C[N+](C)(C)C ZINC001223536042 973140102 /nfs/dbraw/zinc/14/01/02/973140102.db2.gz GOWIQTKTXHZMME-GFCCVEGCSA-N 1 0 223.340 2.001 20 5 BEBDRO Cc1cnc(CO[C@@H](C)C[N+](C)(C)C)s1 ZINC001223861758 973308069 /nfs/dbraw/zinc/30/80/69/973308069.db2.gz LRHRWKCKDDUJKN-VIFPVBQESA-N 1 0 229.369 2.063 20 5 BEBDRO CC(C)=CCCO[C@@H](C)C[N+](C)(C)C ZINC001224717522 973888123 /nfs/dbraw/zinc/88/81/23/973888123.db2.gz YGVGFUGETHMYJS-LBPRGKRZSA-N 1 0 200.346 2.454 20 5 BEBDRO C[C@@H](C[N+](C)(C)C)OCCc1cccs1 ZINC001224785588 973954450 /nfs/dbraw/zinc/95/44/50/973954450.db2.gz JLGDCANYDPWDHM-NSHDSACASA-N 1 0 228.381 2.402 20 5 BEBDRO C[C@H](C[N+](C)(C)C)OCCCc1ccncc1 ZINC001224948092 974089513 /nfs/dbraw/zinc/08/95/13/974089513.db2.gz OZKCDMCGDXGRLG-CYBMUJFWSA-N 1 0 237.367 2.126 20 5 BEBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)n1 ZINC001225433351 974489125 /nfs/dbraw/zinc/48/91/25/974489125.db2.gz OHGIDWWNZXRCQW-NSHDSACASA-N 1 0 223.340 2.172 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)ccc1F ZINC001225902889 974723145 /nfs/dbraw/zinc/72/31/45/974723145.db2.gz QNYVKBLVPKKDGL-SECBINFHSA-N 1 0 230.278 2.438 20 5 BEBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1F ZINC001225943368 974738743 /nfs/dbraw/zinc/73/87/43/974738743.db2.gz ZCCVWHLVXARZSV-QMMMGPOBSA-N 1 0 242.250 2.063 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1nncc2ccccc21 ZINC001226391647 974876916 /nfs/dbraw/zinc/87/69/16/974876916.db2.gz CVPAMKXHGBNRLT-LLVKDONJSA-N 1 0 246.334 2.103 20 5 BEBDRO C[NH+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909169 974962643 /nfs/dbraw/zinc/96/26/43/974962643.db2.gz PMXOVMDCQPINFH-LBPRGKRZSA-N 1 0 234.299 2.404 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC=CC1 ZINC001173229209 975073234 /nfs/dbraw/zinc/07/32/34/975073234.db2.gz RPLFQPXKHGRBFM-LLVKDONJSA-N 1 0 232.283 2.398 20 5 BEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC1 ZINC001173224388 975073363 /nfs/dbraw/zinc/07/33/63/975073363.db2.gz FHSBRXXCIZMODG-SNVBAGLBSA-N 1 0 220.272 2.232 20 5 BEBDRO Cc1[nH]nc2c1cccc2O[C@H](C)C[N+](C)(C)C ZINC001227080046 975253252 /nfs/dbraw/zinc/25/32/52/975253252.db2.gz PWLUZJZXDTZUCV-SNVBAGLBSA-N 1 0 248.350 2.345 20 5 BEBDRO Cc1ccnc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001227265077 975339120 /nfs/dbraw/zinc/33/91/20/975339120.db2.gz RUPZBAFSKILPJG-LLVKDONJSA-N 1 0 223.340 2.172 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c[nH]nc21 ZINC001227984130 975828913 /nfs/dbraw/zinc/82/89/13/975828913.db2.gz AQEZAHRPWYAGCH-SNVBAGLBSA-N 1 0 234.323 2.036 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(C(F)F)c1 ZINC001228535330 976302725 /nfs/dbraw/zinc/30/27/25/976302725.db2.gz ZXMKQBPBOBIBRT-SECBINFHSA-N 1 0 245.293 2.493 20 5 BEBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1N(C)C ZINC001228870542 976540571 /nfs/dbraw/zinc/54/05/71/976540571.db2.gz AULMSEUFDNKAFB-GFCCVEGCSA-N 1 0 237.367 2.226 20 5 BEBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001335816040 977302754 /nfs/dbraw/zinc/30/27/54/977302754.db2.gz VOCBIDXAXUKZLO-GHMZBOCLSA-N 1 0 214.309 2.212 20 5 BEBDRO COc1c(F)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001230833151 977340305 /nfs/dbraw/zinc/34/03/05/977340305.db2.gz SHGSIRJLNIHPCE-JTQLQIEISA-N 1 0 242.314 2.308 20 5 BEBDRO O=[N+]([O-])CCN1Cc2ccccc2C2(CCC2)C1 ZINC001336004445 977419437 /nfs/dbraw/zinc/41/94/37/977419437.db2.gz FZAHWXJJASHJJE-UHFFFAOYSA-N 1 0 246.310 2.201 20 5 BEBDRO C[C@@H](OCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001206277739 978134130 /nfs/dbraw/zinc/13/41/30/978134130.db2.gz FUDIVMSDVZWFJC-SNVBAGLBSA-N 1 0 238.287 2.234 20 5 BEBDRO CCCC[C@H]([NH2+]CC[N+](=O)[O-])C1CCC1 ZINC001351286847 982265882 /nfs/dbraw/zinc/26/58/82/982265882.db2.gz HRLLTXVOSNWCSF-NSHDSACASA-N 1 0 214.309 2.212 20 5 BEBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCC1 ZINC001198414463 982705238 /nfs/dbraw/zinc/70/52/38/982705238.db2.gz SDSLSUDWCYRXFR-UHFFFAOYSA-N 1 0 235.287 2.222 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCCCC1 ZINC001459923489 985663441 /nfs/dbraw/zinc/66/34/41/985663441.db2.gz XDQWBLTTYQBNLU-SNVBAGLBSA-N 1 0 214.309 2.212 20 5 BEBDRO CC1(C)C[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579080 986680028 /nfs/dbraw/zinc/68/00/28/986680028.db2.gz PJCCCQIEFHCRAS-YPMHNXCESA-N 1 0 246.310 2.450 20 5 BEBDRO Cc1[nH+]cc(Nc2cc([N+](=O)[O-])cnc2C)n1C ZINC001249546040 989307829 /nfs/dbraw/zinc/30/78/29/989307829.db2.gz ZXFDJJSYXQJFSO-UHFFFAOYSA-N 1 0 247.258 2.084 20 5 BEBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC001262277777 992833126 /nfs/dbraw/zinc/83/31/26/992833126.db2.gz OGJOJTIAJIGJAA-JSGCOSHPSA-N 1 0 248.326 2.450 20 5 BEBDRO C[NH+](C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420747 1170944651 /nfs/dbraw/zinc/94/46/51/1170944651.db2.gz YAZAESQBVHYRHG-UHFFFAOYSA-N 1 0 241.266 2.098 20 5 BEBDRO CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000038133840 1171024015 /nfs/dbraw/zinc/02/40/15/1171024015.db2.gz DJSFGCZOCDTHLL-SECBINFHSA-N 1 0 208.261 2.135 20 5 BEBDRO Cc1cccc(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000043501545 1171296198 /nfs/dbraw/zinc/29/61/98/1171296198.db2.gz SEUXLUIGFZAFFL-SNVBAGLBSA-N 1 0 236.271 2.034 20 5 BEBDRO C[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000085983475 398173568 /nfs/dbraw/zinc/17/35/68/398173568.db2.gz PVCVJONDNOHIJM-ZJUUUORDSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+](C)C ZINC000038089189 178272952 /nfs/dbraw/zinc/27/29/52/178272952.db2.gz LASNZKBMNFLHFP-JTQLQIEISA-N 1 0 237.303 2.265 20 5 BEBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000351499543 136368912 /nfs/dbraw/zinc/36/89/12/136368912.db2.gz CQRLTYAGGNJIQV-MNOVXSKESA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000049558670 343602617 /nfs/dbraw/zinc/60/26/17/343602617.db2.gz MJTFQUWDWSZBKI-SNVBAGLBSA-N 1 0 237.303 2.347 20 5 BEBDRO C[C@@H]1C[C@@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000159221040 349827954 /nfs/dbraw/zinc/82/79/54/349827954.db2.gz AZICQMSBCPENCK-ZYHUDNBSSA-N 1 0 234.299 2.383 20 5 BEBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000334238734 343842936 /nfs/dbraw/zinc/84/29/36/343842936.db2.gz KBUHSYAZJJFKRQ-SFYZADRCSA-N 1 0 226.301 2.497 20 5 BEBDRO Cc1ccc(NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000129325127 178760824 /nfs/dbraw/zinc/76/08/24/178760824.db2.gz BFYFGAOUYNRFQO-JTQLQIEISA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1cccc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000235451374 344918452 /nfs/dbraw/zinc/91/84/52/344918452.db2.gz JBECHNVIXRGZPQ-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044417211 345056046 /nfs/dbraw/zinc/05/60/46/345056046.db2.gz XJUODRYPTRWSCP-NSHDSACASA-N 1 0 247.298 2.243 20 5 BEBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044411799 345058836 /nfs/dbraw/zinc/05/88/36/345058836.db2.gz PBLLOKOARCYSPG-SNVBAGLBSA-N 1 0 247.298 2.243 20 5 BEBDRO CSCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000070184165 345454853 /nfs/dbraw/zinc/45/48/53/345454853.db2.gz HTCDTHRHIMFQSI-UHFFFAOYSA-N 1 0 240.328 2.356 20 5 BEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCCC1 ZINC000168027382 345723214 /nfs/dbraw/zinc/72/32/14/345723214.db2.gz PVCQAOVJMKWJDA-UHFFFAOYSA-N 1 0 236.271 2.199 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228083800 178928950 /nfs/dbraw/zinc/92/89/50/178928950.db2.gz XFUSWMBMZJNDIR-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000132442345 178929244 /nfs/dbraw/zinc/92/92/44/178929244.db2.gz JGKDJGZAOOPACP-GHMZBOCLSA-N 1 0 249.314 2.077 20 5 BEBDRO Cc1cccc(NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000235936802 179145924 /nfs/dbraw/zinc/14/59/24/179145924.db2.gz JNCSGKFZGJFFRA-SNVBAGLBSA-N 1 0 235.287 2.052 20 5 BEBDRO Cc1noc(C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000595286534 348212550 /nfs/dbraw/zinc/21/25/50/348212550.db2.gz KOXAQOLQTGIYGF-UHFFFAOYSA-N 1 0 239.275 2.267 20 5 BEBDRO Cc1noc(C[NH2+][C@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595455821 348254680 /nfs/dbraw/zinc/25/46/80/348254680.db2.gz VOHGRWQYOSMVBU-CBAPKCEASA-N 1 0 239.275 2.169 20 5 BEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595805736 348348418 /nfs/dbraw/zinc/34/84/18/348348418.db2.gz BNKKWSWNVXXCTE-CHWSQXEVSA-N 1 0 246.310 2.479 20 5 BEBDRO C/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000308773087 348551613 /nfs/dbraw/zinc/55/16/13/348551613.db2.gz WFNGZCRSJNECGL-IHWYPQMZSA-N 1 0 206.245 2.261 20 5 BEBDRO C[C@@H]1C[C@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354435 349164843 /nfs/dbraw/zinc/16/48/43/349164843.db2.gz VPVXOSWSMLFGAV-ZJUUUORDSA-N 1 0 247.298 2.004 20 5 BEBDRO O=[N+]([O-])c1ccc([O-])cc1CN(C1CC1)C1CC1 ZINC000599600195 349232066 /nfs/dbraw/zinc/23/20/66/349232066.db2.gz POUAHGULDIATBE-UHFFFAOYSA-N 1 0 248.282 2.427 20 5 BEBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000224181536 535153278 /nfs/dbraw/zinc/15/32/78/535153278.db2.gz XKXVYPRCIBGZBQ-UHFFFAOYSA-N 1 0 220.272 2.485 20 5 BEBDRO C[N@@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000044537702 352654390 /nfs/dbraw/zinc/65/43/90/352654390.db2.gz SDAHFXLWKQEYET-NSHDSACASA-N 1 0 249.314 2.349 20 5 BEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc[nH]c1 ZINC000086255286 357877916 /nfs/dbraw/zinc/87/79/16/357877916.db2.gz OTNJPXZJDLFAMW-UHFFFAOYSA-N 1 0 245.282 2.255 20 5 BEBDRO Cc1c(C[NH2+]CC2CC2)cccc1[N+](=O)[O-] ZINC000035648618 358015925 /nfs/dbraw/zinc/01/59/25/358015925.db2.gz AUPPOFWWOZLKQI-UHFFFAOYSA-N 1 0 220.272 2.403 20 5 BEBDRO CC[C@H]([NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000036721062 361388337 /nfs/dbraw/zinc/38/83/37/361388337.db2.gz PPCDQASJDKGNOY-LBPRGKRZSA-N 1 0 238.287 2.282 20 5 BEBDRO CC[NH+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210906 201153816 /nfs/dbraw/zinc/15/38/16/201153816.db2.gz WBDRHLXUIXNIJG-UHFFFAOYSA-N 1 0 238.287 2.445 20 5 BEBDRO Cc1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000037401089 363997766 /nfs/dbraw/zinc/99/77/66/363997766.db2.gz SZDWZQCRULPNOL-UHFFFAOYSA-N 1 0 237.303 2.267 20 5 BEBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000439657321 201458039 /nfs/dbraw/zinc/45/80/39/201458039.db2.gz AZEVCPRMHUYVMP-JQWIXIFHSA-N 1 0 249.314 2.489 20 5 BEBDRO CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568901238 326382241 /nfs/dbraw/zinc/38/22/41/326382241.db2.gz QQAOOHGEHJRZGI-JTQLQIEISA-N 1 0 206.245 2.192 20 5 BEBDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202623 371568785 /nfs/dbraw/zinc/56/87/85/371568785.db2.gz VMEFVUIKAUQXFK-ONGXEEELSA-N 1 0 236.271 2.034 20 5 BEBDRO CC(C)(C)[NH2+]CCNc1ccsc1[N+](=O)[O-] ZINC000601111500 371727374 /nfs/dbraw/zinc/72/73/74/371727374.db2.gz UVUMNZZHXPFTRW-UHFFFAOYSA-N 1 0 243.332 2.456 20 5 BEBDRO CC(C)(F)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602727396 371834527 /nfs/dbraw/zinc/83/45/27/371834527.db2.gz QGRYDMNYLRDGGF-UHFFFAOYSA-N 1 0 240.278 2.475 20 5 BEBDRO CC(C)CC1(C)CC[NH+](CC[N+](=O)[O-])CC1 ZINC001643303624 1172454901 /nfs/dbraw/zinc/45/49/01/1172454901.db2.gz VPOBKQNZKDVUIA-UHFFFAOYSA-N 1 0 228.336 2.411 20 5 BEBDRO CCC[NH2+]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000054267451 169260519 /nfs/dbraw/zinc/26/05/19/169260519.db2.gz HAUCTVUQYSXWJR-UHFFFAOYSA-N 1 0 241.266 2.145 20 5 BEBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338791380 383830101 /nfs/dbraw/zinc/83/01/01/383830101.db2.gz FCXVCXBJGVKMNU-QWRGUYRKSA-N 1 0 249.314 2.124 20 5 BEBDRO C[C@@H](CF)NCc1ccccc1[N+](=O)[O-] ZINC000288565049 383907078 /nfs/dbraw/zinc/90/70/78/383907078.db2.gz ZDXQXANBTXWQKX-QMMMGPOBSA-N 1 0 212.224 2.042 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)c1 ZINC000126384227 383926539 /nfs/dbraw/zinc/92/65/39/383926539.db2.gz CHXOKXIRIQWRFY-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050163648 383947713 /nfs/dbraw/zinc/94/77/13/383947713.db2.gz IUAXLEJIRZXEJR-MNOVXSKESA-N 1 0 249.314 2.395 20 5 BEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050163647 383948077 /nfs/dbraw/zinc/94/80/77/383948077.db2.gz IUAXLEJIRZXEJR-QWRGUYRKSA-N 1 0 249.314 2.395 20 5 BEBDRO CC(C)[C@H]1CCCCC[N@@H+]1CC[N+](=O)[O-] ZINC001645055066 1172631694 /nfs/dbraw/zinc/63/16/94/1172631694.db2.gz RVFKVRNPSOBBKD-LLVKDONJSA-N 1 0 214.309 2.164 20 5 BEBDRO C[NH+](C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000039042608 384168566 /nfs/dbraw/zinc/16/85/66/384168566.db2.gz LDVDBIXYFBCDGC-UHFFFAOYSA-N 1 0 243.694 2.222 20 5 BEBDRO C[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000098005654 384456341 /nfs/dbraw/zinc/45/63/41/384456341.db2.gz MZPQHGRQDJKGOM-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO Cc1cccc(NCCCC[NH3+])c1[N+](=O)[O-] ZINC000235784976 384696693 /nfs/dbraw/zinc/69/66/93/384696693.db2.gz QAKPFTYQOMLHRS-UHFFFAOYSA-N 1 0 223.276 2.054 20 5 BEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCF)cs1 ZINC000336665112 384752887 /nfs/dbraw/zinc/75/28/87/384752887.db2.gz DBQDVAAOCBRCDK-UHFFFAOYSA-N 1 0 232.280 2.496 20 5 BEBDRO CS[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000128149627 385253073 /nfs/dbraw/zinc/25/30/73/385253073.db2.gz WNYYQNSZQOJANB-SSDOTTSWSA-N 1 0 246.357 2.497 20 5 BEBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[NH2+]C1 ZINC000052093699 385660307 /nfs/dbraw/zinc/66/03/07/385660307.db2.gz LIAHLWUSLHKJKQ-QMMMGPOBSA-N 1 0 241.678 2.022 20 5 BEBDRO Cc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CC1 ZINC000397985333 385731293 /nfs/dbraw/zinc/73/12/93/385731293.db2.gz UFIFLBXHDDUKKR-UHFFFAOYSA-N 1 0 249.314 2.409 20 5 BEBDRO C[C@H](NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000342114871 385863975 /nfs/dbraw/zinc/86/39/75/385863975.db2.gz BTONNRNFXKOZHY-JTQLQIEISA-N 1 0 249.314 2.127 20 5 BEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)cc1 ZINC000342213439 385874512 /nfs/dbraw/zinc/87/45/12/385874512.db2.gz NZYQVMTYISWJHO-VHSXEESVSA-N 1 0 242.225 2.338 20 5 BEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H]2C(F)F)c1 ZINC000342245842 385876262 /nfs/dbraw/zinc/87/62/62/385876262.db2.gz ZJIFQWSHISICOB-ZJUUUORDSA-N 1 0 242.225 2.338 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[NH2+]C2)c1 ZINC000094663319 386466148 /nfs/dbraw/zinc/46/61/48/386466148.db2.gz BCZKJDCXWBDYHQ-JTQLQIEISA-N 1 0 235.287 2.067 20 5 BEBDRO C[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000085983479 386696788 /nfs/dbraw/zinc/69/67/88/386696788.db2.gz PVCVJONDNOHIJM-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000085980782 386697302 /nfs/dbraw/zinc/69/73/02/386697302.db2.gz GFADSHQUCMRXDU-NXEZZACHSA-N 1 0 238.287 2.016 20 5 BEBDRO CCOC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044689968 386727599 /nfs/dbraw/zinc/72/75/99/386727599.db2.gz GIGQARQBSSYPTN-JTQLQIEISA-N 1 0 238.287 2.109 20 5 BEBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)cc1 ZINC000111237586 387071077 /nfs/dbraw/zinc/07/10/77/387071077.db2.gz WJJXYUZTGQPDTB-SNVBAGLBSA-N 1 0 235.287 2.006 20 5 BEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+](C)C ZINC000168960881 387374753 /nfs/dbraw/zinc/37/47/53/387374753.db2.gz ZGPAGFVUJHKWSX-SNVBAGLBSA-N 1 0 237.303 2.265 20 5 BEBDRO CO[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000191139417 387348347 /nfs/dbraw/zinc/34/83/47/387348347.db2.gz LDBWWXPCURHJMY-SNVBAGLBSA-N 1 0 238.287 2.028 20 5 BEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000163251368 388373623 /nfs/dbraw/zinc/37/36/23/388373623.db2.gz WSCCFEFJXKNLBW-UWVGGRQHSA-N 1 0 238.287 2.108 20 5 BEBDRO CSC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000076769597 388444052 /nfs/dbraw/zinc/44/40/52/388444052.db2.gz VXXUBROSCVZMSU-SECBINFHSA-N 1 0 240.328 2.436 20 5 BEBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000272852585 388433477 /nfs/dbraw/zinc/43/34/77/388433477.db2.gz VVHNUVDJHBCRLQ-JTQLQIEISA-N 1 0 238.287 2.062 20 5 BEBDRO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000348314970 388435373 /nfs/dbraw/zinc/43/53/73/388435373.db2.gz BNZJVLFTQMACJT-KXUCPTDWSA-N 1 0 238.287 2.015 20 5 BEBDRO C[C@H](CF)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329512 388748649 /nfs/dbraw/zinc/74/86/49/388748649.db2.gz IHJLONUJOXFSPP-VHSXEESVSA-N 1 0 240.278 2.473 20 5 BEBDRO Cc1ccc(C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000127931668 388733877 /nfs/dbraw/zinc/73/38/77/388733877.db2.gz LXSSQSCSALWHGA-UHFFFAOYSA-N 1 0 220.272 2.499 20 5 BEBDRO C[C@H]([NH2+]CCF)c1ccc([N+](=O)[O-])cc1 ZINC000281146281 388792290 /nfs/dbraw/zinc/79/22/90/388792290.db2.gz UXMWDCPMUXPRMR-QMMMGPOBSA-N 1 0 212.224 2.215 20 5 BEBDRO COc1ccc(C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000021011853 388789101 /nfs/dbraw/zinc/78/91/01/388789101.db2.gz CPVCIEZWJYLAME-UHFFFAOYSA-N 1 0 236.271 2.103 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH3+])C2)c1 ZINC000094663262 132239103 /nfs/dbraw/zinc/23/91/03/132239103.db2.gz UTHOFNNPSKWMEQ-NSHDSACASA-N 1 0 249.314 2.078 20 5 BEBDRO C[C@@H]([NH3+])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000113209149 132268022 /nfs/dbraw/zinc/26/80/22/132268022.db2.gz ZDPWKAPQNHLUAU-SNVBAGLBSA-N 1 0 249.314 2.158 20 5 BEBDRO CC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000261552540 135191274 /nfs/dbraw/zinc/19/12/74/135191274.db2.gz MZJLFTQBBQMKER-UHFFFAOYSA-N 1 0 241.266 2.064 20 5 BEBDRO [NH3+]C1(CNc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000261562215 135203533 /nfs/dbraw/zinc/20/35/33/135203533.db2.gz WDDWZBRGVPDICM-UHFFFAOYSA-N 1 0 239.250 2.027 20 5 BEBDRO C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163947703 135211174 /nfs/dbraw/zinc/21/11/74/135211174.db2.gz RGBRYCFBOOWULH-QWRGUYRKSA-N 1 0 249.314 2.016 20 5 BEBDRO C[C@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000261581754 135222677 /nfs/dbraw/zinc/22/26/77/135222677.db2.gz NWWSACCTYYGVRO-BQBZGAKWSA-N 1 0 243.694 2.396 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000261598426 135236808 /nfs/dbraw/zinc/23/68/08/135236808.db2.gz ZMYYQARITBOBMS-IUCAKERBSA-N 1 0 223.276 2.051 20 5 BEBDRO CC[C@H](COC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000079713494 135355171 /nfs/dbraw/zinc/35/51/71/135355171.db2.gz PTCHBGPXMNRING-LLVKDONJSA-N 1 0 238.287 2.109 20 5 BEBDRO Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089105867 135529479 /nfs/dbraw/zinc/52/94/79/135529479.db2.gz CHSWDFUWNIPNCG-CMPLNLGQSA-N 1 0 249.314 2.443 20 5 BEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000129552820 173364120 /nfs/dbraw/zinc/36/41/20/173364120.db2.gz LNQZIXXRNFXBGD-MRVPVSSYSA-N 1 0 241.266 2.001 20 5 BEBDRO COCC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015651 174383938 /nfs/dbraw/zinc/38/39/38/174383938.db2.gz FSPJNXPNZSZPAY-SNVBAGLBSA-N 1 0 238.287 2.109 20 5 BEBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000309309139 176236920 /nfs/dbraw/zinc/23/69/20/176236920.db2.gz NULAHIYHNDCCCP-BXKDBHETSA-N 1 0 220.272 2.483 20 5 BEBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000136336791 176396702 /nfs/dbraw/zinc/39/67/02/176396702.db2.gz RDBPKBUCUDQPJN-MWLCHTKSSA-N 1 0 220.272 2.340 20 5 BEBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000229595536 177397019 /nfs/dbraw/zinc/39/70/19/177397019.db2.gz KKDJXRZWQUCNKN-BXKDBHETSA-N 1 0 235.287 2.147 20 5 BEBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000261580944 536345247 /nfs/dbraw/zinc/34/52/47/536345247.db2.gz NETRVGYALYZYDP-ZETCQYMHSA-N 1 0 243.694 2.268 20 5 BEBDRO CC[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275504182 535749568 /nfs/dbraw/zinc/74/95/68/535749568.db2.gz TVRBDOHJQFLIOD-UHFFFAOYSA-N 1 0 249.314 2.045 20 5 BEBDRO CC(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899872154 584244227 /nfs/dbraw/zinc/24/42/27/584244227.db2.gz YCDUKISXJRFQON-ZDUSSCGKSA-N 1 0 236.315 2.293 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000899870383 584244258 /nfs/dbraw/zinc/24/42/58/584244258.db2.gz MQMPEVHQSKTJIO-SNVBAGLBSA-N 1 0 238.312 2.090 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000899864688 584244829 /nfs/dbraw/zinc/24/48/29/584244829.db2.gz LKOMTMPWTVUEED-IJLUTSLNSA-N 1 0 226.320 2.212 20 5 BEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000899865727 584245692 /nfs/dbraw/zinc/24/56/92/584245692.db2.gz TYLXQXVBQXLPCG-UHFFFAOYSA-N 1 0 248.204 2.072 20 5 BEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761095423 585408644 /nfs/dbraw/zinc/40/86/44/585408644.db2.gz OYRKNLDTQWBZOS-GXFFZTMASA-N 1 0 248.282 2.068 20 5 BEBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000774534316 585660767 /nfs/dbraw/zinc/66/07/67/585660767.db2.gz MRVCWGGHNWWSHM-LLVKDONJSA-N 1 0 249.314 2.491 20 5 BEBDRO O=[N+]([O-])CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000791052772 585972696 /nfs/dbraw/zinc/97/26/96/585972696.db2.gz CLWYKDTXAYZFNZ-UHFFFAOYSA-N 1 0 248.326 2.218 20 5 BEBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791051341 585972858 /nfs/dbraw/zinc/97/28/58/585972858.db2.gz BFGVFANRHBGJHU-CYBMUJFWSA-N 1 0 236.315 2.216 20 5 BEBDRO CC(C)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791054820 585973343 /nfs/dbraw/zinc/97/33/43/585973343.db2.gz YTTFBBSLJNHCQN-UHFFFAOYSA-N 1 0 222.288 2.174 20 5 BEBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054148 585973454 /nfs/dbraw/zinc/97/34/54/585973454.db2.gz XZPMCYOGZQNPIN-CHWSQXEVSA-N 1 0 248.326 2.450 20 5 BEBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885943752 592111952 /nfs/dbraw/zinc/11/19/52/592111952.db2.gz BRBINZUIIFUFON-PHIMTYICSA-N 1 0 249.314 2.468 20 5 BEBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886032567 592136443 /nfs/dbraw/zinc/13/64/43/592136443.db2.gz JCYHEDXBJNHKMR-UWVGGRQHSA-N 1 0 235.287 2.220 20 5 BEBDRO CC(C)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038279 592137787 /nfs/dbraw/zinc/13/77/87/592137787.db2.gz SLXPVVFBNYAFMU-LLVKDONJSA-N 1 0 249.314 2.468 20 5 BEBDRO C[N@H+](CCCF)CCc1ccc([N+](=O)[O-])cc1 ZINC000887138972 592453088 /nfs/dbraw/zinc/45/30/88/592453088.db2.gz UBYHQYFMRZGXHA-UHFFFAOYSA-N 1 0 240.278 2.429 20 5 BEBDRO Cc1ccc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000235891819 632845394 /nfs/dbraw/zinc/84/53/94/632845394.db2.gz GAGVTRYASMPCIC-UHFFFAOYSA-N 1 0 235.287 2.197 20 5 BEBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905091937 637597678 /nfs/dbraw/zinc/59/76/78/637597678.db2.gz ARZCELKQDCTJKT-WDEREUQCSA-N 1 0 214.309 2.068 20 5 BEBDRO Cc1cccc(C(C)(C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905074480 637605678 /nfs/dbraw/zinc/60/56/78/637605678.db2.gz YMKHQVPVUPFSIZ-UHFFFAOYSA-N 1 0 236.315 2.139 20 5 BEBDRO CCCC[C@@H](CCC)[NH2+]CC[N+](=O)[O-] ZINC000905155620 637640179 /nfs/dbraw/zinc/64/01/79/637640179.db2.gz OZJIZODMVNLZCZ-SNVBAGLBSA-N 1 0 202.298 2.212 20 5 BEBDRO C[C@@H](CCC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905127153 637642908 /nfs/dbraw/zinc/64/29/08/637642908.db2.gz JLNKCMAZFHFRBK-VIFPVBQESA-N 1 0 202.298 2.068 20 5 BEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000905234847 637721010 /nfs/dbraw/zinc/72/10/10/637721010.db2.gz WICCKAYVSREMTL-UHFFFAOYSA-N 1 0 234.299 2.320 20 5 BEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000905272303 637730173 /nfs/dbraw/zinc/73/01/73/637730173.db2.gz GOSDVCFLZAHNFI-KGLIPLIRSA-N 1 0 248.326 2.437 20 5 BEBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000930235396 639646156 /nfs/dbraw/zinc/64/61/56/639646156.db2.gz BHLAEHJNSBTSCU-LLVKDONJSA-N 1 0 214.309 2.212 20 5 BEBDRO Cc1ccc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)c(C)c1 ZINC000930274598 639679672 /nfs/dbraw/zinc/67/96/72/639679672.db2.gz VSEBERUYWGBNCK-CYBMUJFWSA-N 1 0 248.326 2.369 20 5 BEBDRO CSc1ccccc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930331863 639711400 /nfs/dbraw/zinc/71/14/00/639711400.db2.gz BLUQRPYXSLBWPI-SECBINFHSA-N 1 0 240.328 2.336 20 5 BEBDRO CC1=C(c2ccco2)CN(CC[N+](=O)[O-])CC1 ZINC000930349908 639724873 /nfs/dbraw/zinc/72/48/73/639724873.db2.gz CYFSJNRFGRJERR-UHFFFAOYSA-N 1 0 236.271 2.036 20 5 BEBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC[N+](=O)[O-])C1 ZINC000930473736 639773586 /nfs/dbraw/zinc/77/35/86/639773586.db2.gz BJEPBBBEDNCFJF-YPMHNXCESA-N 1 0 234.299 2.346 20 5 BEBDRO Cc1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])ccc1F ZINC000930599061 639815593 /nfs/dbraw/zinc/81/55/93/639815593.db2.gz WBFDIQIQMMMNBE-SECBINFHSA-N 1 0 226.251 2.061 20 5 BEBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000930622381 639827027 /nfs/dbraw/zinc/82/70/27/639827027.db2.gz DUOVEWDPQUSZOM-VIFPVBQESA-N 1 0 202.298 2.068 20 5 BEBDRO Cc1cccc(C2([NH2+]CC[N+](=O)[O-])CCC2)c1 ZINC000930815426 639915489 /nfs/dbraw/zinc/91/54/89/639915489.db2.gz COCMIOVCJIOPFK-UHFFFAOYSA-N 1 0 234.299 2.241 20 5 BEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000930890026 639972324 /nfs/dbraw/zinc/97/23/24/639972324.db2.gz HAJWBXSMKIJCGR-MRVPVSSYSA-N 1 0 236.262 2.067 20 5 BEBDRO CC1(C)CCC(C)(C)[N@H+](CC[N+](=O)[O-])C1 ZINC000931165402 640083573 /nfs/dbraw/zinc/08/35/73/640083573.db2.gz KURZFBZETSLFNC-UHFFFAOYSA-N 1 0 214.309 2.164 20 5 BEBDRO CCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000036229543 640422763 /nfs/dbraw/zinc/42/27/63/640422763.db2.gz IRFNTNATCHUNLZ-UHFFFAOYSA-N 1 0 238.287 2.029 20 5 BEBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934335694 641126771 /nfs/dbraw/zinc/12/67/71/641126771.db2.gz HDWBJNWXXWTAOG-JQWIXIFHSA-N 1 0 247.298 2.364 20 5 BEBDRO C[C@@H]([N@H+](C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000914569085 641736208 /nfs/dbraw/zinc/73/62/08/641736208.db2.gz SBNNMSOTJJYTNM-SECBINFHSA-N 1 0 240.307 2.115 20 5 BEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094663391 643788662 /nfs/dbraw/zinc/78/86/62/643788662.db2.gz MSYPLJNWONOBII-GHMZBOCLSA-N 1 0 249.314 2.443 20 5 BEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000929291019 643957421 /nfs/dbraw/zinc/95/74/21/643957421.db2.gz BCNBEOGFHLCTGM-GFCCVEGCSA-N 1 0 226.320 2.308 20 5 BEBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929647770 646218512 /nfs/dbraw/zinc/21/85/12/646218512.db2.gz BLENQWQXJNNTMD-AWEZNQCLSA-N 1 0 248.326 2.279 20 5 BEBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000929653458 646222678 /nfs/dbraw/zinc/22/26/78/646222678.db2.gz BXSZJBYLAMOBFE-WCQYABFASA-N 1 0 234.299 2.141 20 5 BEBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000929811635 646331449 /nfs/dbraw/zinc/33/14/49/646331449.db2.gz BZCJMWFANPCFAN-WCQYABFASA-N 1 0 234.299 2.141 20 5 BEBDRO C[N@H+](CC[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000929826816 646342445 /nfs/dbraw/zinc/34/24/45/646342445.db2.gz XABLRNGTKODTOM-UHFFFAOYSA-N 1 0 214.309 2.164 20 5 BEBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929855289 646349371 /nfs/dbraw/zinc/34/93/71/646349371.db2.gz QDEUUMFKSPDVOW-QWRGUYRKSA-N 1 0 214.309 2.164 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000929965953 646378275 /nfs/dbraw/zinc/37/82/75/646378275.db2.gz TWLAUMNMBXBGPE-ZDUSSCGKSA-N 1 0 234.299 2.394 20 5 BEBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000929965952 646379787 /nfs/dbraw/zinc/37/97/87/646379787.db2.gz TWLAUMNMBXBGPE-CYBMUJFWSA-N 1 0 234.299 2.394 20 5 BEBDRO C[C@@]1([NH2+]CC[N+](=O)[O-])CCCc2ccccc21 ZINC000929970923 646382769 /nfs/dbraw/zinc/38/27/69/646382769.db2.gz JMQGMUFONPUCJM-CYBMUJFWSA-N 1 0 234.299 2.104 20 5 BEBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930005546 646386497 /nfs/dbraw/zinc/38/64/97/646386497.db2.gz MKPCZQJYHSSDMA-WDEREUQCSA-N 1 0 214.309 2.164 20 5 BEBDRO CCOc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930187234 646484494 /nfs/dbraw/zinc/48/44/94/646484494.db2.gz LIMQHRUOJBAWCN-JTQLQIEISA-N 1 0 238.287 2.013 20 5 BEBDRO