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+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858744 541883803 /nfs/dbraw/zinc/88/38/03/541883803.db2.gz NKJMJJCDBPWUSB-CQSZACIVSA-N 2 0 364.446 2.206 20 5 FEBDRP Cc1c(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cccc1[N+](=O)[O-] ZINC000154227249 544878093 /nfs/dbraw/zinc/87/80/93/544878093.db2.gz GHMRIEPXLRXFTA-SJPCQFCGSA-N 2 0 372.469 2.286 20 5 FEBDRP C[NH+](C)CCOCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499255618 561546825 /nfs/dbraw/zinc/54/68/25/561546825.db2.gz WZKASWPBMFNJOL-UHFFFAOYSA-N 2 0 350.444 2.386 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343930 555295622 /nfs/dbraw/zinc/29/56/22/555295622.db2.gz PULYLNSJLUHMLQ-ATZDWAIDSA-N 2 0 363.458 2.453 20 5 FEBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794939 555668805 /nfs/dbraw/zinc/66/88/05/555668805.db2.gz LWQJQTXLYHQWLB-XJKSGUPXSA-N 2 0 364.402 2.094 20 5 FEBDRP O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000413108466 559078648 /nfs/dbraw/zinc/07/86/48/559078648.db2.gz RONXBWQDRFKTHM-UHFFFAOYSA-N 2 0 360.393 2.148 20 5 FEBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376634 559627189 /nfs/dbraw/zinc/62/71/89/559627189.db2.gz DWPILMOEKAKADS-SWLSCSKDSA-N 2 0 360.380 2.390 20 5 FEBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395986 559627770 /nfs/dbraw/zinc/62/77/70/559627770.db2.gz SVMBRHPIGKZTDO-JKSUJKDBSA-N 2 0 372.391 2.398 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435619420 559926487 /nfs/dbraw/zinc/92/64/87/559926487.db2.gz YDNAOYKSBCFLQG-CYBMUJFWSA-N 2 0 350.419 2.006 20 5 FEBDRP CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623331 559926639 /nfs/dbraw/zinc/92/66/39/559926639.db2.gz CEQMNQPKRVTMHN-AWEZNQCLSA-N 2 0 364.446 2.396 20 5 FEBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751091 568175295 /nfs/dbraw/zinc/17/52/95/568175295.db2.gz XRVQJSBCBPCPCP-SJORKVTESA-N 2 0 365.474 2.292 20 5 FEBDRP C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012646 674834790 /nfs/dbraw/zinc/83/47/90/674834790.db2.gz BNKSDSAHAAYLQT-HOTGVXAUSA-N 2 0 351.447 2.189 20 5 FEBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119728742 671907010 /nfs/dbraw/zinc/90/70/10/671907010.db2.gz TYQZJXWIUCCYMN-UHFFFAOYSA-N 2 0 357.842 2.205 20 5 FEBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000784439211 682226660 /nfs/dbraw/zinc/22/66/60/682226660.db2.gz WZIMJVQCRZBMKS-UHFFFAOYSA-N 2 0 357.842 2.205 20 5 FEBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866230880 684084808 /nfs/dbraw/zinc/08/48/08/684084808.db2.gz HDPLQSGNRXSARM-OAHLLOKOSA-N 2 0 352.454 2.282 20 5 FEBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903067326 690840643 /nfs/dbraw/zinc/84/06/43/690840643.db2.gz RICMJANXRCHJLN-HNNXBMFYSA-N 2 0 350.463 2.282 20 5 FEBDRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092767 690842818 /nfs/dbraw/zinc/84/28/18/690842818.db2.gz LMPIQLPGPAQFRO-GOEBONIOSA-N 2 0 351.447 2.491 20 5 FEBDRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092768 690843140 /nfs/dbraw/zinc/84/31/40/690843140.db2.gz LMPIQLPGPAQFRO-HOCLYGCPSA-N 2 0 351.447 2.491 20 5 FEBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047970196 540337509 /nfs/dbraw/zinc/33/75/09/540337509.db2.gz ATTAMGWLFDJUIL-GOSISDBHSA-N 2 0 363.458 2.142 20 5 FEBDRP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000128702672 544067993 /nfs/dbraw/zinc/06/79/93/544067993.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 2 0 352.410 2.336 20 5 FEBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000513820429 561951462 /nfs/dbraw/zinc/95/14/62/561951462.db2.gz PAXBOLTVLIFZFZ-UHFFFAOYSA-N 2 0 363.458 2.408 20 5 FEBDRP C[NH+]1CCC2(CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000374074495 557819247 /nfs/dbraw/zinc/81/92/47/557819247.db2.gz KZBBOQZBRZXKRC-UHFFFAOYSA-N 2 0 372.469 2.292 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422637927 559599317 /nfs/dbraw/zinc/59/93/17/559599317.db2.gz PQXQOARPILXRTG-MJBXVCDLSA-N 2 0 364.446 2.237 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292211 559660790 /nfs/dbraw/zinc/66/07/90/559660790.db2.gz OKTFDTOMYDLKEX-CYBMUJFWSA-N 2 0 362.430 2.006 20 5 FEBDRP CC[NH2+]CC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430601522 559824421 /nfs/dbraw/zinc/82/44/21/559824421.db2.gz ZUUPDTSZHKHNIO-UHFFFAOYSA-N 2 0 362.430 2.214 20 5 FEBDRP COc1cc(CN2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371827 559921620 /nfs/dbraw/zinc/92/16/20/559921620.db2.gz OYZQDGRCPYMEHW-PWSUYJOCSA-N 2 0 359.373 2.416 20 5 FEBDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448712261 560195886 /nfs/dbraw/zinc/19/58/86/560195886.db2.gz XXMCYFAZLYYTRT-CQSZACIVSA-N 2 0 357.414 2.385 20 5 FEBDRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864295 561013281 /nfs/dbraw/zinc/01/32/81/561013281.db2.gz IBVUKSDDTYZXKX-MSOLQXFVSA-N 2 0 357.458 2.463 20 5 FEBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917184 674519481 /nfs/dbraw/zinc/51/94/81/674519481.db2.gz BIRNTEJINWAMGI-UHFFFAOYSA-N 2 0 357.842 2.205 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271636 671356702 /nfs/dbraw/zinc/35/67/02/671356702.db2.gz FYMOCWPLPXBXLZ-HZPDHXFCSA-N 2 0 351.447 2.045 20 5 FEBDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000578997905 671704813 /nfs/dbraw/zinc/70/48/13/671704813.db2.gz LMIBRFFIMIOTHV-INIZCTEOSA-N 2 0 351.447 2.046 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849077059 681649838 /nfs/dbraw/zinc/64/98/38/681649838.db2.gz JGGOBWIZWYCDHM-CQSZACIVSA-N 2 0 353.854 2.389 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000866261904 684087368 /nfs/dbraw/zinc/08/73/68/684087368.db2.gz ATOYQENTNXYNGO-RHSMWYFYSA-N 2 0 353.438 2.491 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000866340984 684093331 /nfs/dbraw/zinc/09/33/31/684093331.db2.gz JJXIRYJJRMBRSC-LSDHHAIUSA-N 2 0 352.454 2.281 20 5 FEBDRP COc1ccc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505263 544663129 /nfs/dbraw/zinc/66/31/29/544663129.db2.gz MFQKPKORXFXCLV-ZIAGYGMSSA-N 2 0 364.446 2.204 20 5 FEBDRP Cc1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000154277496 544884000 /nfs/dbraw/zinc/88/40/00/544884000.db2.gz OBFSBJFWKUHFAU-JWTNVVGKSA-N 2 0 372.469 2.286 20 5 FEBDRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777603 /nfs/dbraw/zinc/77/76/03/552777603.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 2 0 364.421 2.480 20 5 FEBDRP CC(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414984500 559198853 /nfs/dbraw/zinc/19/88/53/559198853.db2.gz GPDKDHXCDCXDPS-XLIONFOSSA-N 2 0 374.485 2.455 20 5 FEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415057659 559202845 /nfs/dbraw/zinc/20/28/45/559202845.db2.gz RYSZJOQKLWRMBJ-UHFFFAOYSA-N 2 0 362.474 2.300 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000420321010 559480211 /nfs/dbraw/zinc/48/02/11/559480211.db2.gz VAXWQVSIUPINQX-ZDUSSCGKSA-N 2 0 350.419 2.135 20 5 FEBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329553 559480916 /nfs/dbraw/zinc/48/09/16/559480916.db2.gz OQZLDVIWNRLGBK-CABCVRRESA-N 2 0 357.414 2.466 20 5 FEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000449104443 560215971 /nfs/dbraw/zinc/21/59/71/560215971.db2.gz FQZLSXBGYVHYFW-INIZCTEOSA-N 2 0 369.469 2.462 20 5 FEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000449341899 560226039 /nfs/dbraw/zinc/22/60/39/560226039.db2.gz XHKRZCWZQHKCFI-INIZCTEOSA-N 2 0 362.474 2.108 20 5 FEBDRP C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012647 674834740 /nfs/dbraw/zinc/83/47/40/674834740.db2.gz BNKSDSAHAAYLQT-HZPDHXFCSA-N 2 0 351.447 2.189 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000866230726 684084935 /nfs/dbraw/zinc/08/49/35/684084935.db2.gz AKDAHALOADHVAE-HNNXBMFYSA-N 2 0 352.454 2.282 20 5 FEBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340981 684093243 /nfs/dbraw/zinc/09/32/43/684093243.db2.gz JJXIRYJJRMBRSC-GJZGRUSLSA-N 2 0 352.454 2.281 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870020392 684675450 /nfs/dbraw/zinc/67/54/50/684675450.db2.gz OYPAUBKHGIGPMC-CHWSQXEVSA-N 2 0 368.865 2.060 20 5 FEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000872227160 684929380 /nfs/dbraw/zinc/92/93/80/684929380.db2.gz AVPKVCWUHHNPEX-SWKXRBFHSA-N 2 0 351.447 2.187 20 5 FEBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000262015994 328835622 /nfs/dbraw/zinc/83/56/22/328835622.db2.gz WETQURPFISRSEN-UHFFFAOYSA-N 2 0 364.446 2.254 20 5 FEBDRP CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671156 545556453 /nfs/dbraw/zinc/55/64/53/545556453.db2.gz FRMQGGHWGLYKGV-HNNXBMFYSA-N 2 0 352.866 2.460 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480971808 561221630 /nfs/dbraw/zinc/22/16/30/561221630.db2.gz PBDPXDUITNQYPT-UHFFFAOYSA-N 2 0 364.446 2.206 20 5 FEBDRP O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246904442 549239991 /nfs/dbraw/zinc/23/99/91/549239991.db2.gz CFBNYWZKXQXYAV-SJLPKXTDSA-N 2 0 363.458 2.285 20 5 FEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272329 549574306 /nfs/dbraw/zinc/57/43/06/549574306.db2.gz KVEAIWADEZBDKG-SUMWQHHRSA-N 2 0 364.421 2.479 20 5 FEBDRP C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306520 557139182 /nfs/dbraw/zinc/13/91/82/557139182.db2.gz VXYCJCGVOMBCEP-KRWDZBQOSA-N 2 0 362.474 2.074 20 5 FEBDRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048204 559202203 /nfs/dbraw/zinc/20/22/03/559202203.db2.gz WQOCHTOEBUCDPD-CMPLNLGQSA-N 2 0 359.373 2.464 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420317444 559480027 /nfs/dbraw/zinc/48/00/27/559480027.db2.gz OOPQQIVPKDGEJP-ZDUSSCGKSA-N 2 0 350.419 2.135 20 5 FEBDRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340070 559481889 /nfs/dbraw/zinc/48/18/89/559481889.db2.gz ZTVYTDKBQBPYDX-RLFYNMQTSA-N 2 0 358.442 2.022 20 5 FEBDRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340066 559481967 /nfs/dbraw/zinc/48/19/67/559481967.db2.gz ZTVYTDKBQBPYDX-IIDMSEBBSA-N 2 0 358.442 2.022 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000531706322 562454363 /nfs/dbraw/zinc/45/43/63/562454363.db2.gz CRQJVCPWESKOQQ-YJBOKZPZSA-N 2 0 362.474 2.497 20 5 FEBDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986890 674831035 /nfs/dbraw/zinc/83/10/35/674831035.db2.gz CQWSNQRIJDFDSQ-HNNXBMFYSA-N 2 0 351.447 2.187 20 5 FEBDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602594446 673908767 /nfs/dbraw/zinc/90/87/67/673908767.db2.gz WOBVZYBTGWISFQ-UHFFFAOYSA-N 2 0 360.380 2.341 20 5 FEBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071737 680099214 /nfs/dbraw/zinc/09/92/14/680099214.db2.gz LCTOLWDCQKFBIY-ZWKOTPCHSA-N 2 0 351.447 2.061 20 5 FEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000872227156 684929318 /nfs/dbraw/zinc/92/93/18/684929318.db2.gz AVPKVCWUHHNPEX-CSLYMUCUSA-N 2 0 351.447 2.187 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000877669546 686433505 /nfs/dbraw/zinc/43/35/05/686433505.db2.gz NUUJMUJJHDEIMG-HUUCEWRRSA-N 2 0 354.882 2.419 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903105289 690844782 /nfs/dbraw/zinc/84/47/82/690844782.db2.gz AADHSKIZXAQQOD-CQSZACIVSA-N 2 0 350.463 2.280 20 5 FEBDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000177484622 546628908 /nfs/dbraw/zinc/62/89/08/546628908.db2.gz DDIXMTIFLQOEIN-IYBDPMFKSA-N 2 0 365.478 2.003 20 5 FEBDRP COc1cc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098632 561403205 /nfs/dbraw/zinc/40/32/05/561403205.db2.gz OIRQDEMFIMQROK-QGZVFWFLSA-N 2 0 362.474 2.205 20 5 FEBDRP COc1ccc(-c2ccc(C[NH2+]CCCN3CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000414782523 559187136 /nfs/dbraw/zinc/18/71/36/559187136.db2.gz PDUYBRRAUFRFCO-UHFFFAOYSA-N 2 0 374.441 2.248 20 5 FEBDRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420334006 559481406 /nfs/dbraw/zinc/48/14/06/559481406.db2.gz KTDFQAUQKZURHB-TXEJJXNPSA-N 2 0 352.822 2.118 20 5 FEBDRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403128 559628027 /nfs/dbraw/zinc/62/80/27/559628027.db2.gz YUTORMSCKJDLCR-GJZGRUSLSA-N 2 0 360.380 2.472 20 5 FEBDRP Cn1ccnc1[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483971 559630035 /nfs/dbraw/zinc/63/00/35/559630035.db2.gz QMIYWPISPGLSHC-UONOGXRCSA-N 2 0 351.357 2.005 20 5 FEBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430582033 559823587 /nfs/dbraw/zinc/82/35/87/559823587.db2.gz JRNBKWPFHRATOD-UHFFFAOYSA-N 2 0 364.446 2.254 20 5 FEBDRP COc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371826 559921702 /nfs/dbraw/zinc/92/17/02/559921702.db2.gz OYZQDGRCPYMEHW-JQWIXIFHSA-N 2 0 359.373 2.416 20 5 FEBDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986891 674831310 /nfs/dbraw/zinc/83/13/10/674831310.db2.gz CQWSNQRIJDFDSQ-OAHLLOKOSA-N 2 0 351.447 2.187 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000595009498 673186004 /nfs/dbraw/zinc/18/60/04/673186004.db2.gz ZUJSRAPGFCKWDM-AWEZNQCLSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000595039189 673188461 /nfs/dbraw/zinc/18/84/61/673188461.db2.gz OAVXPVQDYNPRGF-CQSZACIVSA-N 2 0 350.463 2.280 20 5 FEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268457005 329421956 /nfs/dbraw/zinc/42/19/56/329421956.db2.gz YBDUZPYZUCQHEW-UHFFFAOYSA-N 2 0 351.447 2.318 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343933 555295465 /nfs/dbraw/zinc/29/54/65/555295465.db2.gz PULYLNSJLUHMLQ-MNEFBYGVSA-N 2 0 363.458 2.453 20 5 FEBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794935 555668574 /nfs/dbraw/zinc/66/85/74/555668574.db2.gz LWQJQTXLYHQWLB-CJNGLKHVSA-N 2 0 364.402 2.094 20 5 FEBDRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299582 557861344 /nfs/dbraw/zinc/86/13/44/557861344.db2.gz YKFJVVOTWSTEIV-INIZCTEOSA-N 2 0 372.469 2.390 20 5 FEBDRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414195742 559152558 /nfs/dbraw/zinc/15/25/58/559152558.db2.gz OISOEBRETSCZFN-INIZCTEOSA-N 2 0 362.474 2.042 20 5 FEBDRP CN(c1ccccc1)c1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414867898 559191801 /nfs/dbraw/zinc/19/18/01/559191801.db2.gz PBHBGWDUUZLYNM-UHFFFAOYSA-N 2 0 369.469 2.358 20 5 FEBDRP Cc1c(NC(=O)CC[NH+]2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430596348 559824225 /nfs/dbraw/zinc/82/42/25/559824225.db2.gz WGOPLRXBHGAOBM-UHFFFAOYSA-N 2 0 364.446 2.062 20 5 FEBDRP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496146 560231825 /nfs/dbraw/zinc/23/18/25/560231825.db2.gz ISVMFBBNSHCFMM-LJQANCHMSA-N 2 0 374.485 2.361 20 5 FEBDRP CCOc1cc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000451985583 560342494 /nfs/dbraw/zinc/34/24/94/560342494.db2.gz MNQXPLJKZPOXOC-UHFFFAOYSA-N 2 0 364.490 2.499 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694270 /nfs/dbraw/zinc/69/42/70/673694270.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 2 0 351.447 2.139 20 5 FEBDRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843364779 681000002 /nfs/dbraw/zinc/00/00/02/681000002.db2.gz RUDSWFWAHDSLES-UHFFFAOYSA-N 2 0 350.394 2.138 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000866260844 684086736 /nfs/dbraw/zinc/08/67/36/684086736.db2.gz YBZVVBIZSOGPDW-LSDHHAIUSA-N 2 0 352.454 2.138 20 5 FEBDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000092820916 542887802 /nfs/dbraw/zinc/88/78/02/542887802.db2.gz CHWZMFLNPJPCSR-UHFFFAOYSA-N 2 0 358.446 2.425 20 5 FEBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000105476115 543174109 /nfs/dbraw/zinc/17/41/09/543174109.db2.gz WFKUPHQIOHHUSN-UHFFFAOYSA-N 2 0 372.416 2.313 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000128983161 544084484 /nfs/dbraw/zinc/08/44/84/544084484.db2.gz XAIJEUDWOUIKGY-KRWDZBQOSA-N 2 0 362.474 2.391 20 5 FEBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000262023005 328836185 /nfs/dbraw/zinc/83/61/85/328836185.db2.gz YPYPXEPPDHSVGM-UHFFFAOYSA-N 2 0 364.446 2.254 20 5 FEBDRP Cc1sc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000264923983 329074964 /nfs/dbraw/zinc/07/49/64/329074964.db2.gz QJFLTVBSSDRWKN-UHFFFAOYSA-N 2 0 356.492 2.310 20 5 FEBDRP Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000299574426 553583525 /nfs/dbraw/zinc/58/35/25/553583525.db2.gz CPFVVTZFPMKUOO-UHFFFAOYSA-N 2 0 350.463 2.249 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378422049 558553085 /nfs/dbraw/zinc/55/30/85/558553085.db2.gz AKKYXVWCWKEUGX-GOSISDBHSA-N 2 0 362.474 2.204 20 5 FEBDRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048207 559202286 /nfs/dbraw/zinc/20/22/86/559202286.db2.gz WQOCHTOEBUCDPD-PWSUYJOCSA-N 2 0 359.373 2.464 20 5 FEBDRP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333013 559481346 /nfs/dbraw/zinc/48/13/46/559481346.db2.gz HDIXXVNFBKXREM-MSOLQXFVSA-N 2 0 358.442 2.164 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423537946 559631456 /nfs/dbraw/zinc/63/14/56/559631456.db2.gz FBKGYCAQPUILAQ-BVIKNXMNSA-N 2 0 355.442 2.395 20 5 FEBDRP C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012645 674834773 /nfs/dbraw/zinc/83/47/73/674834773.db2.gz BNKSDSAHAAYLQT-CVEARBPZSA-N 2 0 351.447 2.189 20 5 FEBDRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762741 684583397 /nfs/dbraw/zinc/58/33/97/684583397.db2.gz NRPDIEALXYJFCF-ZWNOBZJWSA-N 2 0 358.236 2.214 20 5 FEBDRP C[NH+](C)C1(C)CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872229134 684929652 /nfs/dbraw/zinc/92/96/52/684929652.db2.gz NQBVFAXCXPVSQW-UHFFFAOYSA-N 2 0 369.487 2.221 20 5 FEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105476479 543174486 /nfs/dbraw/zinc/17/44/86/543174486.db2.gz KHGUWAGLVYWMSC-UHFFFAOYSA-N 2 0 350.463 2.111 20 5 FEBDRP Cn1ccnc1C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786366 543782484 /nfs/dbraw/zinc/78/24/84/543782484.db2.gz OUZBMYKBIOBJFM-CQSZACIVSA-N 2 0 357.414 2.222 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125286995 543872852 /nfs/dbraw/zinc/87/28/52/543872852.db2.gz RQWXVMUOXZAASR-UHFFFAOYSA-N 2 0 369.425 2.449 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841622 326107614 /nfs/dbraw/zinc/10/76/14/326107614.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 2 0 364.446 2.206 20 5 FEBDRP C[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000265893597 329170347 /nfs/dbraw/zinc/17/03/47/329170347.db2.gz SDAOASAFPIIFCX-UHFFFAOYSA-N 2 0 362.455 2.265 20 5 FEBDRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000289779985 552377132 /nfs/dbraw/zinc/37/71/32/552377132.db2.gz LCBFLMPPJINELX-UHFFFAOYSA-N 2 0 374.485 2.409 20 5 FEBDRP C[NH+]1CCC(Nc2nc(NC3CC[NH+](C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000301711596 553673541 /nfs/dbraw/zinc/67/35/41/553673541.db2.gz DYUWQTYWECQYAR-UHFFFAOYSA-N 2 0 354.480 2.064 20 5 FEBDRP Cn1ccnc1[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483969 559630022 /nfs/dbraw/zinc/63/00/22/559630022.db2.gz QMIYWPISPGLSHC-KBPBESRZSA-N 2 0 351.357 2.005 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423538033 559631539 /nfs/dbraw/zinc/63/15/39/559631539.db2.gz FBKGYCAQPUILAQ-YFHUEUNASA-N 2 0 355.442 2.395 20 5 FEBDRP CC1(C)C[C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122365 559872371 /nfs/dbraw/zinc/87/23/71/559872371.db2.gz VPNHRPYMYGTYCU-KBXCAEBGSA-N 2 0 374.485 2.494 20 5 FEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000449083852 560215266 /nfs/dbraw/zinc/21/52/66/560215266.db2.gz VTLGUNWVUJWIAA-INIZCTEOSA-N 2 0 369.469 2.462 20 5 FEBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000570477604 568478744 /nfs/dbraw/zinc/47/87/44/568478744.db2.gz XUJOVYASUPHACA-GOSISDBHSA-N 2 0 359.426 2.186 20 5 FEBDRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594311 675134968 /nfs/dbraw/zinc/13/49/68/675134968.db2.gz UFRYLSHVHGMFSE-CVEARBPZSA-N 2 0 351.447 2.046 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457782 671370227 /nfs/dbraw/zinc/37/02/27/671370227.db2.gz RNUJHHIMANIWSI-DOTOQJQBSA-N 2 0 351.447 2.045 20 5 FEBDRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583019719 672055776 /nfs/dbraw/zinc/05/57/76/672055776.db2.gz FPBIJWRSSAUQCC-DQPZFDDXSA-N 2 0 351.447 2.045 20 5 FEBDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567710357 675315244 /nfs/dbraw/zinc/31/52/44/675315244.db2.gz JQOPFDKNKAOVLM-OAHLLOKOSA-N 2 0 351.447 2.046 20 5 FEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233136 684084976 /nfs/dbraw/zinc/08/49/76/684084976.db2.gz RPKDUBIQSZRFIT-HUUCEWRRSA-N 2 0 352.454 2.281 20 5 FEBDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000123383838 543758773 /nfs/dbraw/zinc/75/87/73/543758773.db2.gz YSCMRNATPKOAOX-GOSISDBHSA-N 2 0 365.474 2.388 20 5 FEBDRP C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CC[NH+](C)CC1 ZINC000120812054 326290452 /nfs/dbraw/zinc/29/04/52/326290452.db2.gz ULSGRODLUNVEJF-APWZRJJASA-N 2 0 360.502 2.389 20 5 FEBDRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554211 /nfs/dbraw/zinc/55/42/11/550554211.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 2 0 372.473 2.468 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277270189 550649910 /nfs/dbraw/zinc/64/99/10/550649910.db2.gz RNIQWOPRDSUSAX-AWEZNQCLSA-N 2 0 364.446 2.348 20 5 FEBDRP CCN1CCC([N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355556 558162393 /nfs/dbraw/zinc/16/23/93/558162393.db2.gz TWQZHBSOUMNONV-QGZVFWFLSA-N 2 0 363.458 2.283 20 5 FEBDRP O=C(NC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000469848366 560966297 /nfs/dbraw/zinc/96/62/97/560966297.db2.gz IZSGVUVLBMAMAK-GQQIISMTSA-N 2 0 372.469 2.188 20 5 FEBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470012598 560972118 /nfs/dbraw/zinc/97/21/18/560972118.db2.gz RDBQHJAXUGOVLE-HNNXBMFYSA-N 2 0 372.425 2.142 20 5 FEBDRP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000570474665 568478174 /nfs/dbraw/zinc/47/81/74/568478174.db2.gz MRBCVPAZTYEHJY-YYIAUSFCSA-N 2 0 365.478 2.364 20 5 FEBDRP C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012648 674834610 /nfs/dbraw/zinc/83/46/10/674834610.db2.gz BNKSDSAHAAYLQT-JKSUJKDBSA-N 2 0 351.447 2.189 20 5 FEBDRP CC(C)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000537446223 673390041 /nfs/dbraw/zinc/39/00/41/673390041.db2.gz QIZHVPCAYGEEAY-PBHICJAKSA-N 2 0 350.463 2.338 20 5 FEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777418 684584627 /nfs/dbraw/zinc/58/46/27/684584627.db2.gz DMHYQUUUFKQGQE-RYUDHWBXSA-N 2 0 356.373 2.146 20 5 FEBDRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153674118 326739411 /nfs/dbraw/zinc/73/94/11/326739411.db2.gz DLZYZZWKQQRBMN-GJZGRUSLSA-N 2 0 350.463 2.280 20 5 FEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000366650235 555899419 /nfs/dbraw/zinc/89/94/19/555899419.db2.gz FBDBZEGIUPDYHB-LJQANCHMSA-N 2 0 363.458 2.063 20 5 FEBDRP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799346 558222715 /nfs/dbraw/zinc/22/27/15/558222715.db2.gz PEVWXHCFFFWVMX-GOSISDBHSA-N 2 0 362.474 2.074 20 5 FEBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969441 559197951 /nfs/dbraw/zinc/19/79/51/559197951.db2.gz GSASALLKCHVUEI-UJAVWCLSSA-N 2 0 358.364 2.034 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420372440 559483737 /nfs/dbraw/zinc/48/37/37/559483737.db2.gz MHJVDRTXBICMOQ-GOSISDBHSA-N 2 0 362.430 2.008 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402123 559485718 /nfs/dbraw/zinc/48/57/18/559485718.db2.gz QGGKEEZZYOLKRN-GOEBONIOSA-N 2 0 374.441 2.357 20 5 FEBDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000422722044 559604273 /nfs/dbraw/zinc/60/42/73/559604273.db2.gz WUGGKYZGADHLAS-ZDUSSCGKSA-N 2 0 365.430 2.014 20 5 FEBDRP [NH3+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000424022766 559651529 /nfs/dbraw/zinc/65/15/29/559651529.db2.gz UQLNBHZEJWOTBT-UHFFFAOYSA-N 2 0 374.466 2.380 20 5 FEBDRP C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000458157560 560605797 /nfs/dbraw/zinc/60/57/97/560605797.db2.gz CQCRGCKTXWWZHV-AWEZNQCLSA-N 2 0 357.414 2.242 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000595013885 673186235 /nfs/dbraw/zinc/18/62/35/673186235.db2.gz UULYKDCNRVJJOE-HNNXBMFYSA-N 2 0 350.463 2.282 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000595031722 673187909 /nfs/dbraw/zinc/18/79/09/673187909.db2.gz CBMXTMCEHJWUGG-HUUCEWRRSA-N 2 0 350.463 2.280 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000866227148 684084597 /nfs/dbraw/zinc/08/45/97/684084597.db2.gz BGFDKSNGPILHRC-AWEZNQCLSA-N 2 0 352.454 2.281 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000866227149 684084658 /nfs/dbraw/zinc/08/46/58/684084658.db2.gz BGFDKSNGPILHRC-CQSZACIVSA-N 2 0 352.454 2.281 20 5 FEBDRP COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CC[NH+](C)CC1 ZINC000879126921 686747656 /nfs/dbraw/zinc/74/76/56/686747656.db2.gz ONFFPHYRNRVOLO-UHFFFAOYSA-N 2 0 351.447 2.394 20 5 FEBDRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000151338509 544530059 /nfs/dbraw/zinc/53/00/59/544530059.db2.gz FKJNLWQFUCYCPR-UHFFFAOYSA-N 2 0 355.398 2.141 20 5 FEBDRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000482545493 561255899 /nfs/dbraw/zinc/25/58/99/561255899.db2.gz YTMPGJXPEXHOJL-MSOLQXFVSA-N 2 0 374.485 2.093 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277168795 550639269 /nfs/dbraw/zinc/63/92/69/550639269.db2.gz KOSPBPVKZHCRFC-CQSZACIVSA-N 2 0 364.446 2.348 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277270195 550650101 /nfs/dbraw/zinc/65/01/01/550650101.db2.gz RNIQWOPRDSUSAX-CQSZACIVSA-N 2 0 364.446 2.348 20 5 FEBDRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747605 562097140 /nfs/dbraw/zinc/09/71/40/562097140.db2.gz ZBQNFMJQBCEQPE-JKSUJKDBSA-N 2 0 371.441 2.227 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373785312 557758484 /nfs/dbraw/zinc/75/84/84/557758484.db2.gz COKGTHHSNIVUNO-SFHVURJKSA-N 2 0 362.474 2.204 20 5 FEBDRP CCN1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000411299496 558871561 /nfs/dbraw/zinc/87/15/61/558871561.db2.gz ATYCPFQJIVENHI-UHFFFAOYSA-N 2 0 364.446 2.348 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292283 559479011 /nfs/dbraw/zinc/47/90/11/559479011.db2.gz LQAXRGCEBKRQDZ-HOTGVXAUSA-N 2 0 360.458 2.108 20 5 FEBDRP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333017 559481187 /nfs/dbraw/zinc/48/11/87/559481187.db2.gz HDIXXVNFBKXREM-ROUUACIJSA-N 2 0 358.442 2.164 20 5 FEBDRP COC(=O)COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421366156 559540352 /nfs/dbraw/zinc/54/03/52/559540352.db2.gz BQLDFFBFDVIEES-UHFFFAOYSA-N 2 0 365.430 2.109 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544099 559631585 /nfs/dbraw/zinc/63/15/85/559631585.db2.gz NZOAAWWEYCIETF-KYHPRHEASA-N 2 0 355.442 2.395 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000531706321 562454439 /nfs/dbraw/zinc/45/44/39/562454439.db2.gz CRQJVCPWESKOQQ-QAPCUYQASA-N 2 0 362.474 2.497 20 5 FEBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000853247724 682398576 /nfs/dbraw/zinc/39/85/76/682398576.db2.gz YVFSMBWGZBBMSH-UHFFFAOYSA-N 2 0 368.865 2.328 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000866279424 684087701 /nfs/dbraw/zinc/08/77/01/684087701.db2.gz SMZXHDLLAHJKTM-AWEZNQCLSA-N 2 0 352.454 2.281 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257249 555065531 /nfs/dbraw/zinc/06/55/31/555065531.db2.gz VKYCAOMEBNFTOY-OLMNPRSZSA-N 2 0 358.442 2.340 20 5 FEBDRP Cc1cc(NCCC2CC[NH+](C3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000371884998 557319701 /nfs/dbraw/zinc/31/97/01/557319701.db2.gz XWHSOYMHZMHCAT-UHFFFAOYSA-N 2 0 361.490 2.906 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422626316 559598595 /nfs/dbraw/zinc/59/85/95/559598595.db2.gz DTFKPBHJMDBYTN-RDBSUJKOSA-N 2 0 364.446 2.237 20 5 FEBDRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423454184 559629579 /nfs/dbraw/zinc/62/95/79/559629579.db2.gz LGEUGYOUQKVAQP-NRXGSXMXSA-N 2 0 360.458 2.201 20 5 FEBDRP [NH3+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000424036321 559652104 /nfs/dbraw/zinc/65/21/04/559652104.db2.gz GZEKELSSFALEHV-UHFFFAOYSA-N 2 0 368.437 2.318 20 5 FEBDRP [NH3+]C[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303967 559660985 /nfs/dbraw/zinc/66/09/85/559660985.db2.gz QCLKQBQGZGVCGG-GOEBONIOSA-N 2 0 359.405 2.358 20 5 FEBDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430574333 559823439 /nfs/dbraw/zinc/82/34/39/559823439.db2.gz NWFKIORSUMZZFL-AWEZNQCLSA-N 2 0 350.419 2.198 20 5 FEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000449744389 560238799 /nfs/dbraw/zinc/23/87/99/560238799.db2.gz GSQHDAQVROUUHX-UHFFFAOYSA-N 2 0 350.463 2.109 20 5 FEBDRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864003 561013346 /nfs/dbraw/zinc/01/33/46/561013346.db2.gz HFHPKKZBRHUBFO-IEBWSBKVSA-N 2 0 357.458 2.463 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609451677 675922698 /nfs/dbraw/zinc/92/26/98/675922698.db2.gz IZHRAARYIJKWCX-UHFFFAOYSA-N 2 0 354.426 2.080 20 5 FEBDRP C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727748 672705398 /nfs/dbraw/zinc/70/53/98/672705398.db2.gz FVJNLEJXWZSBKT-NVXWUHKLSA-N 2 0 351.447 2.046 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000595011605 673185916 /nfs/dbraw/zinc/18/59/16/673185916.db2.gz IQFISPTWWJIWTM-CQSZACIVSA-N 2 0 350.463 2.280 20 5 FEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008960 673186030 /nfs/dbraw/zinc/18/60/30/673186030.db2.gz WSIHGHQSTBUHSH-LSDHHAIUSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000595012005 673186383 /nfs/dbraw/zinc/18/63/83/673186383.db2.gz MOBSKWXZMCHRNE-GJZGRUSLSA-N 2 0 350.463 2.138 20 5 FEBDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385733 683711904 /nfs/dbraw/zinc/71/19/04/683711904.db2.gz ABVYJRXAVOJQGC-BRSBDYLESA-N 2 0 351.422 2.303 20 5 FEBDRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763728 684583741 /nfs/dbraw/zinc/58/37/41/684583741.db2.gz UAYLDUBVMYPEQS-ZRIRCROJSA-N 2 0 370.247 2.199 20 5 FEBDRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000101595661 543036372 /nfs/dbraw/zinc/03/63/72/543036372.db2.gz NXVZPOUHKZGSTG-KBPBESRZSA-N 2 0 367.446 2.288 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000125558301 543888325 /nfs/dbraw/zinc/88/83/25/543888325.db2.gz BMYHYGBLBATBIT-MRXNPFEDSA-N 2 0 362.474 2.391 20 5 FEBDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611586 549174370 /nfs/dbraw/zinc/17/43/70/549174370.db2.gz PQUWCRPRGYSSIF-IRXDYDNUSA-N 2 0 362.474 2.343 20 5 FEBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907622 558097998 /nfs/dbraw/zinc/09/79/98/558097998.db2.gz YMOFLSOLHNUGEV-SFHVURJKSA-N 2 0 362.474 2.074 20 5 FEBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323668 559480498 /nfs/dbraw/zinc/48/04/98/559480498.db2.gz GQAFXCFTOSLENP-HUUCEWRRSA-N 2 0 357.414 2.466 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430594163 559824054 /nfs/dbraw/zinc/82/40/54/559824054.db2.gz GCEACQDTXGJRKW-AWEZNQCLSA-N 2 0 352.435 2.237 20 5 FEBDRP CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000431067444 559833363 /nfs/dbraw/zinc/83/33/63/559833363.db2.gz DXOMIZRANYIFHZ-UHFFFAOYSA-N 2 0 364.446 2.396 20 5 FEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000451992583 560343330 /nfs/dbraw/zinc/34/33/30/560343330.db2.gz UFCSRQSHRDJIBT-UHFFFAOYSA-N 2 0 350.463 2.109 20 5 FEBDRP O=C(NC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000469848368 560966326 /nfs/dbraw/zinc/96/63/26/560966326.db2.gz IZSGVUVLBMAMAK-VSLUYMRVSA-N 2 0 372.469 2.188 20 5 FEBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569919859 568436550 /nfs/dbraw/zinc/43/65/50/568436550.db2.gz GKLTWDNXAXACQQ-KRWDZBQOSA-N 2 0 359.426 2.186 20 5 FEBDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572903583 671058022 /nfs/dbraw/zinc/05/80/22/671058022.db2.gz WFSNUPGIESHQIV-INIZCTEOSA-N 2 0 351.447 2.187 20 5 FEBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071735 680099259 /nfs/dbraw/zinc/09/92/59/680099259.db2.gz LCTOLWDCQKFBIY-ROUUACIJSA-N 2 0 351.447 2.061 20 5 FEBDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000782478435 682047198 /nfs/dbraw/zinc/04/71/98/682047198.db2.gz OOSNMXQVVDNFIR-UHFFFAOYSA-N 2 0 352.410 2.336 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000866353610 684094358 /nfs/dbraw/zinc/09/43/58/684094358.db2.gz UVAIIJKTEQEUGX-CQSZACIVSA-N 2 0 352.454 2.281 20 5 FEBDRP O=[N+]([O-])c1sc(NCC[NH+]2CCCC2)nc1NCC[NH+]1CCCC1 ZINC000536986422 540668370 /nfs/dbraw/zinc/66/83/70/540668370.db2.gz GXMLQGCWORUVIE-UHFFFAOYSA-N 2 0 354.480 2.067 20 5 FEBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152450088 544655279 /nfs/dbraw/zinc/65/52/79/544655279.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 2 0 362.430 2.166 20 5 FEBDRP Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272862483 550474188 /nfs/dbraw/zinc/47/41/88/550474188.db2.gz QSQHABRSGXJMSP-UHFFFAOYSA-N 2 0 371.441 2.052 20 5 FEBDRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554263 /nfs/dbraw/zinc/55/42/63/550554263.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 2 0 372.473 2.468 20 5 FEBDRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000289654516 552356794 /nfs/dbraw/zinc/35/67/94/552356794.db2.gz CJBBYTRWQHDRRF-UHFFFAOYSA-N 2 0 374.485 2.409 20 5 FEBDRP Cc1c([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374031 559627037 /nfs/dbraw/zinc/62/70/37/559627037.db2.gz CFKIUGFEUJQKSU-IUODEOHRSA-N 2 0 360.380 2.390 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544100 559631643 /nfs/dbraw/zinc/63/16/43/559631643.db2.gz NZOAAWWEYCIETF-LISAXSMJSA-N 2 0 355.442 2.395 20 5 FEBDRP C[C@@H](CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873492 675070865 /nfs/dbraw/zinc/07/08/65/675070865.db2.gz OZPIQRXHWTZCTQ-DOTOQJQBSA-N 2 0 351.447 2.189 20 5 FEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579823242 671762792 /nfs/dbraw/zinc/76/27/92/671762792.db2.gz KLNRDGMSRHKHOQ-OAGGEKHMSA-N 2 0 353.467 2.221 20 5 FEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068953 690841212 /nfs/dbraw/zinc/84/12/12/690841212.db2.gz QDBQDGYOJVYPGW-GJZGRUSLSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092769 690843216 /nfs/dbraw/zinc/84/32/16/690843216.db2.gz LMPIQLPGPAQFRO-ZBFHGGJFSA-N 2 0 351.447 2.491 20 5 FEBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078489894 542463760 /nfs/dbraw/zinc/46/37/60/542463760.db2.gz BKKNZXYGWMTFOA-UHFFFAOYSA-N 2 0 357.842 2.205 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000125558541 543888619 /nfs/dbraw/zinc/88/86/19/543888619.db2.gz BMYHYGBLBATBIT-INIZCTEOSA-N 2 0 362.474 2.391 20 5 FEBDRP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000090588873 325364600 /nfs/dbraw/zinc/36/46/00/325364600.db2.gz LPMYKMWSORSNER-UHFFFAOYSA-N 2 0 362.474 2.345 20 5 FEBDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000503198769 561636397 /nfs/dbraw/zinc/63/63/97/561636397.db2.gz MVWFVVPPTXCAEG-NVXWUHKLSA-N 2 0 350.463 2.247 20 5 FEBDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000503198770 561636544 /nfs/dbraw/zinc/63/65/44/561636544.db2.gz MVWFVVPPTXCAEG-RDJZCZTQSA-N 2 0 350.463 2.247 20 5 FEBDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000521426646 562176006 /nfs/dbraw/zinc/17/60/06/562176006.db2.gz KWWJGUUESXQPPK-KRWDZBQOSA-N 2 0 351.447 2.045 20 5 FEBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893281 558095077 /nfs/dbraw/zinc/09/50/77/558095077.db2.gz YFSDXWUFDHGEKL-QGZVFWFLSA-N 2 0 362.474 2.074 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292277 559479120 /nfs/dbraw/zinc/47/91/20/559479120.db2.gz LQAXRGCEBKRQDZ-CVEARBPZSA-N 2 0 360.458 2.108 20 5 FEBDRP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420364454 559483319 /nfs/dbraw/zinc/48/33/19/559483319.db2.gz CWQLSIJJXIGVKQ-OAHLLOKOSA-N 2 0 372.473 2.373 20 5 FEBDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422950200 559612667 /nfs/dbraw/zinc/61/26/67/559612667.db2.gz XICPYPNTNGJPPM-ZDUSSCGKSA-N 2 0 365.430 2.014 20 5 FEBDRP [NH3+]C[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303968 559661024 /nfs/dbraw/zinc/66/10/24/559661024.db2.gz QCLKQBQGZGVCGG-HOCLYGCPSA-N 2 0 359.405 2.358 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430571299 559823219 /nfs/dbraw/zinc/82/32/19/559823219.db2.gz CNGBXWXHFBFFLR-AWEZNQCLSA-N 2 0 352.435 2.237 20 5 FEBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430586069 559823752 /nfs/dbraw/zinc/82/37/52/559823752.db2.gz VEQUDBIQMUFFAV-UHFFFAOYSA-N 2 0 364.446 2.254 20 5 FEBDRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864296 561013359 /nfs/dbraw/zinc/01/33/59/561013359.db2.gz IBVUKSDDTYZXKX-QZTJIDSGSA-N 2 0 357.458 2.463 20 5 FEBDRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475666 680949284 /nfs/dbraw/zinc/94/92/84/680949284.db2.gz XSFXEBKQOQSOOJ-KRWDZBQOSA-N 2 0 350.394 2.138 20 5 FEBDRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346344 680999037 /nfs/dbraw/zinc/99/90/37/680999037.db2.gz NOQPAWCQXZZFMF-UHFFFAOYSA-N 2 0 350.394 2.279 20 5 FEBDRP C[C@@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413385 543760663 /nfs/dbraw/zinc/76/06/63/543760663.db2.gz IWFKMVXIJRMIIP-KGLIPLIRSA-N 2 0 362.430 2.307 20 5 FEBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCC[NH+](C)C1 ZINC000152449996 544654519 /nfs/dbraw/zinc/65/45/19/544654519.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 2 0 362.430 2.166 20 5 FEBDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151248634 326678094 /nfs/dbraw/zinc/67/80/94/326678094.db2.gz DGVJOBLVEJFBKW-UHFFFAOYSA-N 2 0 372.473 2.113 20 5 FEBDRP CC[NH+]1CCN([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237941 327188769 /nfs/dbraw/zinc/18/87/69/327188769.db2.gz DFHYBUMFEPIALA-INIZCTEOSA-N 2 0 352.866 2.460 20 5 FEBDRP COc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000185896296 548054433 /nfs/dbraw/zinc/05/44/33/548054433.db2.gz XSMFYTOPRPLGKA-UHFFFAOYSA-N 2 0 350.463 2.109 20 5 FEBDRP C[NH+]1CC=C(CNc2nc(NCC3=CC[N@H+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000277718741 550705785 /nfs/dbraw/zinc/70/57/85/550705785.db2.gz HQJVDJRUCJWQCR-UHFFFAOYSA-N 2 0 372.473 2.337 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963291 556743293 /nfs/dbraw/zinc/74/32/93/556743293.db2.gz QGIRYRHXGJEYLU-FCLVOEFKSA-N 2 0 363.458 2.107 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378422050 558553422 /nfs/dbraw/zinc/55/34/22/558553422.db2.gz AKKYXVWCWKEUGX-SFHVURJKSA-N 2 0 362.474 2.204 20 5 FEBDRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414838727 559190372 /nfs/dbraw/zinc/19/03/72/559190372.db2.gz VPWYUDWCGQZREI-LLVKDONJSA-N 2 0 359.373 2.337 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422631945 559599005 /nfs/dbraw/zinc/59/90/05/559599005.db2.gz GBVFUHIANPCIKW-RDBSUJKOSA-N 2 0 364.446 2.237 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422637925 559599384 /nfs/dbraw/zinc/59/93/84/559599384.db2.gz PQXQOARPILXRTG-IHRRRGAJSA-N 2 0 364.446 2.237 20 5 FEBDRP O=C(CC[N@@H+]1CC[C@H](Oc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000431608574 559842461 /nfs/dbraw/zinc/84/24/61/559842461.db2.gz KOYITJCUGNGRNQ-KRWDZBQOSA-N 2 0 356.382 2.472 20 5 FEBDRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573597012 671141297 /nfs/dbraw/zinc/14/12/97/671141297.db2.gz VRMRXIBBLBWAMQ-KRWDZBQOSA-N 2 0 351.447 2.046 20 5 FEBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593659 681412680 /nfs/dbraw/zinc/41/26/80/681412680.db2.gz YZTIRSQBGNTPRU-MSOLQXFVSA-N 2 0 351.447 2.061 20 5 FEBDRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763726 684583720 /nfs/dbraw/zinc/58/37/20/684583720.db2.gz UAYLDUBVMYPEQS-QJZHLUCQSA-N 2 0 370.247 2.199 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000125594349 543890484 /nfs/dbraw/zinc/89/04/84/543890484.db2.gz FMKGXOZWMFXFRA-QGZVFWFLSA-N 2 0 362.474 2.391 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859410 544130123 /nfs/dbraw/zinc/13/01/23/544130123.db2.gz SATKEUNXTKXCFG-QGZVFWFLSA-N 2 0 363.462 2.475 20 5 FEBDRP CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000288011285 552074573 /nfs/dbraw/zinc/07/45/73/552074573.db2.gz BMCHHIZYTICRNB-UHFFFAOYSA-N 2 0 373.461 2.139 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702589 553603301 /nfs/dbraw/zinc/60/33/01/553603301.db2.gz FKAUYJOKPRNYBP-CYBMUJFWSA-N 2 0 354.476 2.144 20 5 FEBDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366864548 555954703 /nfs/dbraw/zinc/95/47/03/555954703.db2.gz KUGZQXAQJXOEFK-MRXNPFEDSA-N 2 0 363.458 2.142 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292287 559479096 /nfs/dbraw/zinc/47/90/96/559479096.db2.gz LQAXRGCEBKRQDZ-HZPDHXFCSA-N 2 0 360.458 2.108 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420377242 559483980 /nfs/dbraw/zinc/48/39/80/559483980.db2.gz PPRMUYSMIFYLIY-SFHVURJKSA-N 2 0 362.430 2.008 20 5 FEBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CC[NH2+]CC1 ZINC000423174875 559622043 /nfs/dbraw/zinc/62/20/43/559622043.db2.gz CMHPBLOLTBHHRI-OAHLLOKOSA-N 2 0 352.504 2.350 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435619421 559926503 /nfs/dbraw/zinc/92/65/03/559926503.db2.gz YDNAOYKSBCFLQG-ZDUSSCGKSA-N 2 0 350.419 2.006 20 5 FEBDRP O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435694576 559928421 /nfs/dbraw/zinc/92/84/21/559928421.db2.gz MATSUSYMYMAKJZ-INIZCTEOSA-N 2 0 361.471 2.497 20 5 FEBDRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710214 560195778 /nfs/dbraw/zinc/19/57/78/560195778.db2.gz SSHRDCYLWPMAGX-GJZGRUSLSA-N 2 0 355.398 2.137 20 5 FEBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569919861 568436612 /nfs/dbraw/zinc/43/66/12/568436612.db2.gz GKLTWDNXAXACQQ-QGZVFWFLSA-N 2 0 359.426 2.186 20 5 FEBDRP C[C@@H](CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873496 675070784 /nfs/dbraw/zinc/07/07/84/675070784.db2.gz OZPIQRXHWTZCTQ-RDJZCZTQSA-N 2 0 351.447 2.189 20 5 FEBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000853248290 682398491 /nfs/dbraw/zinc/39/84/91/682398491.db2.gz QZJKDBLADUVIOO-UHFFFAOYSA-N 2 0 368.865 2.328 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000866259418 684086837 /nfs/dbraw/zinc/08/68/37/684086837.db2.gz BCTQCJBDNQTZSA-HNNXBMFYSA-N 2 0 352.454 2.282 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000866261905 684087219 /nfs/dbraw/zinc/08/72/19/684087219.db2.gz ATOYQENTNXYNGO-WMLDXEAASA-N 2 0 353.438 2.491 20 5 FEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340983 684093197 /nfs/dbraw/zinc/09/31/97/684093197.db2.gz JJXIRYJJRMBRSC-HUUCEWRRSA-N 2 0 352.454 2.281 20 5 FEBDRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455351 549442223 /nfs/dbraw/zinc/44/22/23/549442223.db2.gz KXDUBAKFJJSARM-HZPDHXFCSA-N 2 0 351.447 2.141 20 5 FEBDRP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000262064157 549785663 /nfs/dbraw/zinc/78/56/63/549785663.db2.gz ATIUSKMEYPQHOG-QGZVFWFLSA-N 2 0 356.426 2.334 20 5 FEBDRP O=[N+]([O-])c1cnn(CCN2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000297695915 553326154 /nfs/dbraw/zinc/32/61/54/553326154.db2.gz QFIKKZGARSTYTH-UHFFFAOYSA-N 2 0 352.398 2.162 20 5 FEBDRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000420364612 559483188 /nfs/dbraw/zinc/48/31/88/559483188.db2.gz DCEXJWHGIDWENP-OAHLLOKOSA-N 2 0 359.430 2.179 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422631944 559598902 /nfs/dbraw/zinc/59/89/02/559598902.db2.gz GBVFUHIANPCIKW-MJBXVCDLSA-N 2 0 364.446 2.237 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544097 559631630 /nfs/dbraw/zinc/63/16/30/559631630.db2.gz NZOAAWWEYCIETF-BVIKNXMNSA-N 2 0 355.442 2.395 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419706 /nfs/dbraw/zinc/41/97/06/562419706.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 2 0 351.447 2.139 20 5 FEBDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579823845 671762873 /nfs/dbraw/zinc/76/28/73/671762873.db2.gz IVJOAJUUXJSMQL-MRXNPFEDSA-N 2 0 351.447 2.045 20 5 FEBDRP C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727749 672705337 /nfs/dbraw/zinc/70/53/37/672705337.db2.gz FVJNLEJXWZSBKT-RDJZCZTQSA-N 2 0 351.447 2.046 20 5 FEBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595007295 673185780 /nfs/dbraw/zinc/18/57/80/673185780.db2.gz MCDOGRDBGYIXBI-HNNXBMFYSA-N 2 0 350.463 2.282 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849077058 681649663 /nfs/dbraw/zinc/64/96/63/681649663.db2.gz JGGOBWIZWYCDHM-AWEZNQCLSA-N 2 0 353.854 2.389 20 5 FEBDRP COc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000866010169 684060218 /nfs/dbraw/zinc/06/02/18/684060218.db2.gz GNVHJIPKEZZDIA-CHWSQXEVSA-N 2 0 370.881 2.432 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1C[NH+](C)C ZINC000866012571 684060444 /nfs/dbraw/zinc/06/04/44/684060444.db2.gz JCCUHXLIXQZPDJ-CHWSQXEVSA-N 2 0 363.487 2.380 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000870021655 684675392 /nfs/dbraw/zinc/67/53/92/684675392.db2.gz SQAAGHFCMGGYBD-ZIAGYGMSSA-N 2 0 368.865 2.060 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH+](C)C ZINC000870025497 684676043 /nfs/dbraw/zinc/67/60/43/684676043.db2.gz VBOCTTJOQLPENI-CHWSQXEVSA-N 2 0 368.865 2.060 20 5 FEBDRP COc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903105288 690844777 /nfs/dbraw/zinc/84/47/77/690844777.db2.gz AADHSKIZXAQQOD-AWEZNQCLSA-N 2 0 350.463 2.280 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027351903 324431900 /nfs/dbraw/zinc/43/19/00/324431900.db2.gz CSCWJIJMJRUPLQ-UHFFFAOYSA-N 2 0 351.451 2.332 20 5 FEBDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000177483646 327525606 /nfs/dbraw/zinc/52/56/06/327525606.db2.gz KAYQKCXYTCYXAZ-HZPDHXFCSA-N 2 0 365.478 2.003 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264934782 329076272 /nfs/dbraw/zinc/07/62/72/329076272.db2.gz TYVBKJZJEPOPAW-UHFFFAOYSA-N 2 0 354.426 2.080 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000505774655 561680459 /nfs/dbraw/zinc/68/04/59/561680459.db2.gz XWDAKMFLLLOETB-OAHLLOKOSA-N 2 0 366.437 2.222 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087411 561751118 /nfs/dbraw/zinc/75/11/18/561751118.db2.gz JBSMYJIOYSPHNC-AWEZNQCLSA-N 2 0 368.503 2.453 20 5 FEBDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374073692 557818855 /nfs/dbraw/zinc/81/88/55/557818855.db2.gz CGGRRTMETQKVKJ-KRWDZBQOSA-N 2 0 363.458 2.142 20 5 FEBDRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414187240 559152143 /nfs/dbraw/zinc/15/21/43/559152143.db2.gz IFEPYRYKHQMHOG-INIZCTEOSA-N 2 0 362.474 2.042 20 5 FEBDRP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCN3CC[NH2+]CC3)cs2)c1 ZINC000414785254 559187292 /nfs/dbraw/zinc/18/72/92/559187292.db2.gz UTCXBVVOLZHHBO-UHFFFAOYSA-N 2 0 361.471 2.103 20 5 FEBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395980 559627883 /nfs/dbraw/zinc/62/78/83/559627883.db2.gz SVMBRHPIGKZTDO-CVEARBPZSA-N 2 0 372.391 2.398 20 5 FEBDRP CC1(C)C[C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122371 559872408 /nfs/dbraw/zinc/87/24/08/559872408.db2.gz VPNHRPYMYGTYCU-RDTXWAMCSA-N 2 0 374.485 2.494 20 5 FEBDRP O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435690013 559928220 /nfs/dbraw/zinc/92/82/20/559928220.db2.gz AWXLXKAGSDDUNJ-OAHLLOKOSA-N 2 0 361.471 2.497 20 5 FEBDRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864005 561013393 /nfs/dbraw/zinc/01/33/93/561013393.db2.gz HFHPKKZBRHUBFO-PKOBYXMFSA-N 2 0 357.458 2.463 20 5 FEBDRP C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530880287 562427173 /nfs/dbraw/zinc/42/71/73/562427173.db2.gz GPOPYMFKVUZQTO-CQSZACIVSA-N 2 0 368.503 2.027 20 5 FEBDRP CSC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+](C)CC1 ZINC000589326120 672521840 /nfs/dbraw/zinc/52/18/40/672521840.db2.gz YNWNUJQORZPOGG-UHFFFAOYSA-N 2 0 367.471 2.283 20 5 FEBDRP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843362407 680999755 /nfs/dbraw/zinc/99/97/55/680999755.db2.gz FWLTVYPQILCVRH-ONXXMXGDSA-N 2 0 350.394 2.277 20 5 FEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777421 684584673 /nfs/dbraw/zinc/58/46/73/684584673.db2.gz DMHYQUUUFKQGQE-VXGBXAGGSA-N 2 0 356.373 2.146 20 5 FEBDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000123862363 543787428 /nfs/dbraw/zinc/78/74/28/543787428.db2.gz JJCCTIXGTOSWNX-UHFFFAOYSA-N 2 0 356.426 2.176 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000125591911 543890791 /nfs/dbraw/zinc/89/07/91/543890791.db2.gz QHEUFYMYAZESBS-QGZVFWFLSA-N 2 0 362.474 2.391 20 5 FEBDRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000127961011 544024770 /nfs/dbraw/zinc/02/47/70/544024770.db2.gz YTMPGJXPEXHOJL-ROUUACIJSA-N 2 0 374.485 2.093 20 5 FEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938270 544081990 /nfs/dbraw/zinc/08/19/90/544081990.db2.gz KVEAIWADEZBDKG-DYVFJYSZSA-N 2 0 364.421 2.479 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489829539 561420138 /nfs/dbraw/zinc/42/01/38/561420138.db2.gz SCRNAKLIZZGDEG-CYBMUJFWSA-N 2 0 350.419 2.135 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257250 555065576 /nfs/dbraw/zinc/06/55/76/555065576.db2.gz VKYCAOMEBNFTOY-ZTFGCOKTSA-N 2 0 358.442 2.340 20 5 FEBDRP C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306521 557139307 /nfs/dbraw/zinc/13/93/07/557139307.db2.gz VXYCJCGVOMBCEP-QGZVFWFLSA-N 2 0 362.474 2.074 20 5 FEBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329555 559480980 /nfs/dbraw/zinc/48/09/80/559480980.db2.gz OQZLDVIWNRLGBK-HUUCEWRRSA-N 2 0 357.414 2.466 20 5 FEBDRP Cc1c([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374033 559627086 /nfs/dbraw/zinc/62/70/86/559627086.db2.gz CFKIUGFEUJQKSU-WFASDCNBSA-N 2 0 360.380 2.390 20 5 FEBDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000584108733 672156341 /nfs/dbraw/zinc/15/63/41/672156341.db2.gz QQUSRRJKESEJEW-KRWDZBQOSA-N 2 0 351.447 2.046 20 5 FEBDRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000538548607 673445912 /nfs/dbraw/zinc/44/59/12/673445912.db2.gz QCPGUWYGMZRQSA-YOEHRIQHSA-N 2 0 350.463 2.338 20 5 FEBDRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762737 684583294 /nfs/dbraw/zinc/58/32/94/684583294.db2.gz NRPDIEALXYJFCF-GXFFZTMASA-N 2 0 358.236 2.214 20 5 FEBDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611599 549174263 /nfs/dbraw/zinc/17/42/63/549174263.db2.gz PQUWCRPRGYSSIF-SJORKVTESA-N 2 0 362.474 2.343 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000299712730 553605709 /nfs/dbraw/zinc/60/57/09/553605709.db2.gz JBDGDSMKGNMBGY-AWEZNQCLSA-N 2 0 354.476 2.144 20 5 FEBDRP Cc1nn(C)c(NCCC2CC[NH+](C3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000371885026 557319730 /nfs/dbraw/zinc/31/97/30/557319730.db2.gz YCVMBUGLNZIDBU-UHFFFAOYSA-N 2 0 364.494 2.245 20 5 FEBDRP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799347 558222833 /nfs/dbraw/zinc/22/28/33/558222833.db2.gz PEVWXHCFFFWVMX-SFHVURJKSA-N 2 0 362.474 2.074 20 5 FEBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323666 559480533 /nfs/dbraw/zinc/48/05/33/559480533.db2.gz GQAFXCFTOSLENP-CABCVRRESA-N 2 0 357.414 2.466 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402125 559485727 /nfs/dbraw/zinc/48/57/27/559485727.db2.gz QGGKEEZZYOLKRN-ZBFHGGJFSA-N 2 0 374.441 2.357 20 5 FEBDRP Cc1c([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374032 559626994 /nfs/dbraw/zinc/62/69/94/559626994.db2.gz CFKIUGFEUJQKSU-SWLSCSKDSA-N 2 0 360.380 2.390 20 5 FEBDRP COCCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543755 560164224 /nfs/dbraw/zinc/16/42/24/560164224.db2.gz SCGVKJDQYHTJHH-DLBZAZTESA-N 2 0 365.478 2.366 20 5 FEBDRP C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)C[NH+](C)C ZINC000449938526 560245819 /nfs/dbraw/zinc/24/58/19/560245819.db2.gz JSUVEIPUPJYPSF-CYBMUJFWSA-N 2 0 359.430 2.487 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877314 560754028 /nfs/dbraw/zinc/75/40/28/560754028.db2.gz CAOAVCDNOFPNDB-SFHVURJKSA-N 2 0 362.474 2.012 20 5 FEBDRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000817880355 675184789 /nfs/dbraw/zinc/18/47/89/675184789.db2.gz QFMFYBFAGOZFCP-AGIUHOORSA-N 2 0 352.410 2.368 20 5 FEBDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581424975 671895274 /nfs/dbraw/zinc/89/52/74/671895274.db2.gz QLHRBFVRPIZKTB-QGZVFWFLSA-N 2 0 351.447 2.189 20 5 FEBDRP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000596787752 673412913 /nfs/dbraw/zinc/41/29/13/673412913.db2.gz LNVGRLLNPRNJBW-UHFFFAOYSA-N 2 0 351.451 2.217 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000843355472 680999548 /nfs/dbraw/zinc/99/95/48/680999548.db2.gz RAMSRKIJUQVVKJ-UHFFFAOYSA-N 2 0 350.419 2.134 20 5 FEBDRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763727 684583678 /nfs/dbraw/zinc/58/36/78/684583678.db2.gz UAYLDUBVMYPEQS-YNOUVUFWSA-N 2 0 370.247 2.199 20 5 FEBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047970199 540337499 /nfs/dbraw/zinc/33/74/99/540337499.db2.gz ATTAMGWLFDJUIL-SFHVURJKSA-N 2 0 363.458 2.142 20 5 FEBDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000123383654 326429719 /nfs/dbraw/zinc/42/97/19/326429719.db2.gz YSCMRNATPKOAOX-SFHVURJKSA-N 2 0 365.474 2.388 20 5 FEBDRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000482545495 561255930 /nfs/dbraw/zinc/25/59/30/561255930.db2.gz YTMPGJXPEXHOJL-QZTJIDSGSA-N 2 0 374.485 2.093 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333184 559481322 /nfs/dbraw/zinc/48/13/22/559481322.db2.gz HNYCEGKKYIMZOG-MRXNPFEDSA-N 2 0 374.441 2.357 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430577265 559823368 /nfs/dbraw/zinc/82/33/68/559823368.db2.gz XEVNLPLMARWVEM-UHFFFAOYSA-N 2 0 364.446 2.062 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000595006658 673185706 /nfs/dbraw/zinc/18/57/06/673185706.db2.gz HVMOIOYOOJWPNF-OAHLLOKOSA-N 2 0 350.463 2.282 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000595007838 673185763 /nfs/dbraw/zinc/18/57/63/673185763.db2.gz PTCAMJMRYXCFDG-CQSZACIVSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000595015427 673186444 /nfs/dbraw/zinc/18/64/44/673186444.db2.gz DTXBWCCETQDWQB-GDBMZVCRSA-N 2 0 351.447 2.491 20 5 FEBDRP CC(C)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000761526045 680725904 /nfs/dbraw/zinc/72/59/04/680725904.db2.gz GTZCRFXCIRTQDZ-HNNXBMFYSA-N 2 0 370.881 2.430 20 5 FEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068954 690841111 /nfs/dbraw/zinc/84/11/11/690841111.db2.gz QDBQDGYOJVYPGW-HUUCEWRRSA-N 2 0 350.463 2.280 20 5 FEBDRP Cc1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000057157337 540773552 /nfs/dbraw/zinc/77/35/52/540773552.db2.gz WQOGKIDNBCTAPU-UHFFFAOYSA-N 2 0 350.463 2.249 20 5 FEBDRP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000133630467 544277707 /nfs/dbraw/zinc/27/77/07/544277707.db2.gz DJEMBZSRDXFQMT-UHFFFAOYSA-N 2 0 351.451 2.169 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107479 /nfs/dbraw/zinc/10/74/79/326107479.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 2 0 364.446 2.206 20 5 FEBDRP C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CC[NH+](C)CC1 ZINC000120812391 326290140 /nfs/dbraw/zinc/29/01/40/326290140.db2.gz ULSGRODLUNVEJF-VQIMIIECSA-N 2 0 360.502 2.389 20 5 FEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000154391110 326758747 /nfs/dbraw/zinc/75/87/47/326758747.db2.gz WKRBFFZYTBUODL-IBGZPJMESA-N 2 0 363.458 2.205 20 5 FEBDRP CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671022 545556054 /nfs/dbraw/zinc/55/60/54/545556054.db2.gz FRMQGGHWGLYKGV-OAHLLOKOSA-N 2 0 352.866 2.460 20 5 FEBDRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945374 547410716 /nfs/dbraw/zinc/41/07/16/547410716.db2.gz NJIULUTXVRFGTG-INIZCTEOSA-N 2 0 351.447 2.141 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460178 561762818 /nfs/dbraw/zinc/76/28/18/561762818.db2.gz XSVLUCGRRFMOTE-GOSISDBHSA-N 2 0 362.474 2.012 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099220 554904126 /nfs/dbraw/zinc/90/41/26/554904126.db2.gz BQAIAINRVYLVCO-AYOQOUSVSA-N 2 0 363.458 2.453 20 5 FEBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969440 559197937 /nfs/dbraw/zinc/19/79/37/559197937.db2.gz GSASALLKCHVUEI-SJDLMVEWSA-N 2 0 358.364 2.034 20 5 FEBDRP CC1(C)C[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122369 559872402 /nfs/dbraw/zinc/87/24/02/559872402.db2.gz VPNHRPYMYGTYCU-KSSFIOAISA-N 2 0 374.485 2.494 20 5 FEBDRP C[NH+](C)CC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580065311 671780435 /nfs/dbraw/zinc/78/04/35/671780435.db2.gz RSKJMDDIEHNJIF-UHFFFAOYSA-N 2 0 369.487 2.079 20 5 FEBDRP C[NH+](C)CC1(O)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000931482468 684290036 /nfs/dbraw/zinc/29/00/36/684290036.db2.gz UYGUCNOOYFIYKK-UHFFFAOYSA-N 2 0 372.263 2.246 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC000903092766 690843224 /nfs/dbraw/zinc/84/32/24/690843224.db2.gz LMPIQLPGPAQFRO-GDBMZVCRSA-N 2 0 351.447 2.491 20 5 FEBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153615787 544798445 /nfs/dbraw/zinc/79/84/45/544798445.db2.gz LGNMSZVURGRBCK-HUUCEWRRSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107933 /nfs/dbraw/zinc/10/79/33/326107933.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 2 0 364.446 2.206 20 5 FEBDRP C[C@H]1C[NH+](CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000177483625 327525602 /nfs/dbraw/zinc/52/56/02/327525602.db2.gz KAYQKCXYTCYXAZ-HOTGVXAUSA-N 2 0 365.478 2.003 20 5 FEBDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000177483604 546628987 /nfs/dbraw/zinc/62/89/87/546628987.db2.gz KAYQKCXYTCYXAZ-IYBDPMFKSA-N 2 0 365.478 2.003 20 5 FEBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000285577991 551777747 /nfs/dbraw/zinc/77/77/47/551777747.db2.gz TVQPMHGNGNQOQV-ALOPSCKCSA-N 2 0 360.458 2.076 20 5 FEBDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000365380985 555558823 /nfs/dbraw/zinc/55/88/23/555558823.db2.gz SLUQGEPYGNAYEQ-ZDUSSCGKSA-N 2 0 352.410 2.479 20 5 FEBDRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747602 562097023 /nfs/dbraw/zinc/09/70/23/562097023.db2.gz ZBQNFMJQBCEQPE-CVEARBPZSA-N 2 0 371.441 2.227 20 5 FEBDRP COCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000414981252 559198702 /nfs/dbraw/zinc/19/87/02/559198702.db2.gz WTSQCPXYYVRAST-UHFFFAOYSA-N 2 0 373.457 2.101 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420377241 559483848 /nfs/dbraw/zinc/48/38/48/559483848.db2.gz PPRMUYSMIFYLIY-GOSISDBHSA-N 2 0 362.430 2.008 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423537947 559631537 /nfs/dbraw/zinc/63/15/37/559631537.db2.gz FBKGYCAQPUILAQ-KYHPRHEASA-N 2 0 355.442 2.395 20 5 FEBDRP CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCC[NH2+]CC1 ZINC000435613183 559926274 /nfs/dbraw/zinc/92/62/74/559926274.db2.gz JHFSKIRQIXURAZ-AWEZNQCLSA-N 2 0 362.430 2.357 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419680 /nfs/dbraw/zinc/41/96/80/562419680.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 2 0 351.447 2.139 20 5 FEBDRP CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000584834941 672220300 /nfs/dbraw/zinc/22/03/00/672220300.db2.gz KBILTUCKXZHAHJ-HNNXBMFYSA-N 2 0 351.447 2.046 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694212 /nfs/dbraw/zinc/69/42/12/673694212.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 2 0 351.447 2.139 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870022141 684675708 /nfs/dbraw/zinc/67/57/08/684675708.db2.gz OZXXIGYOXMZYLK-CHWSQXEVSA-N 2 0 368.865 2.060 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH+](C)C ZINC000870024803 684675866 /nfs/dbraw/zinc/67/58/66/684675866.db2.gz UKOMGDFPRVAHRF-CHWSQXEVSA-N 2 0 368.865 2.060 20 5 FEBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000262002893 328834664 /nfs/dbraw/zinc/83/46/64/328834664.db2.gz QLCIDMDHDVIYBS-UHFFFAOYSA-N 2 0 364.446 2.254 20 5 FEBDRP Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237911434 548863811 /nfs/dbraw/zinc/86/38/11/548863811.db2.gz MZDBRFOANMSNAL-UHFFFAOYSA-N 2 0 373.457 2.197 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659165 555157642 /nfs/dbraw/zinc/15/76/42/555157642.db2.gz GKZHKNRVBBTOIF-INMHGKMJSA-N 2 0 358.442 2.340 20 5 FEBDRP CCN1CCC([N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355555 558162416 /nfs/dbraw/zinc/16/24/16/558162416.db2.gz TWQZHBSOUMNONV-KRWDZBQOSA-N 2 0 363.458 2.283 20 5 FEBDRP COCC(COC)[NH+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000413481014 559111240 /nfs/dbraw/zinc/11/12/40/559111240.db2.gz SLPTYBHQYSCZEF-UHFFFAOYSA-N 2 0 374.441 2.235 20 5 FEBDRP COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415025396 559201270 /nfs/dbraw/zinc/20/12/70/559201270.db2.gz PVEGKJOLLPQCHQ-HDJSIYSDSA-N 2 0 365.430 2.001 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422637926 559599288 /nfs/dbraw/zinc/59/92/88/559599288.db2.gz PQXQOARPILXRTG-MCIONIFRSA-N 2 0 364.446 2.237 20 5 FEBDRP [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000424041771 559652291 /nfs/dbraw/zinc/65/22/91/559652291.db2.gz USKBPICACPDYTL-UHFFFAOYSA-N 2 0 368.437 2.318 20 5 FEBDRP CC1(C)C[C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122368 559872464 /nfs/dbraw/zinc/87/24/64/559872464.db2.gz VPNHRPYMYGTYCU-KDOFPFPSSA-N 2 0 374.485 2.494 20 5 FEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449077597 560215005 /nfs/dbraw/zinc/21/50/05/560215005.db2.gz WBPVMTRVZBMNCT-INIZCTEOSA-N 2 0 369.469 2.462 20 5 FEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635755 560934631 /nfs/dbraw/zinc/93/46/31/560934631.db2.gz STFNGBWQBIIXGY-HKBKRHGFSA-N 2 0 360.458 2.175 20 5 FEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000817880357 675184738 /nfs/dbraw/zinc/18/47/38/675184738.db2.gz QFMFYBFAGOZFCP-JHJVBQTASA-N 2 0 352.410 2.368 20 5 FEBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815938 683040261 /nfs/dbraw/zinc/04/02/61/683040261.db2.gz UMDBFMFYRSCUIC-OAHLLOKOSA-N 2 0 352.504 2.478 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870025094 684675932 /nfs/dbraw/zinc/67/59/32/684675932.db2.gz YOFFTWOUEXTEBV-CHWSQXEVSA-N 2 0 368.865 2.060 20 5 FEBDRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000101595660 543036310 /nfs/dbraw/zinc/03/63/10/543036310.db2.gz NXVZPOUHKZGSTG-OKILXGFUSA-N 2 0 367.446 2.288 20 5 FEBDRP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000153646593 544802365 /nfs/dbraw/zinc/80/23/65/544802365.db2.gz JGSXIHJXECIXET-CQSZACIVSA-N 2 0 351.447 2.348 20 5 FEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248746 561315704 /nfs/dbraw/zinc/31/57/04/561315704.db2.gz HQUGYORKNNLVMW-GOEBONIOSA-N 2 0 374.441 2.309 20 5 FEBDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707596 /nfs/dbraw/zinc/70/75/96/552707596.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 2 0 350.394 2.090 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000505774654 561680496 /nfs/dbraw/zinc/68/04/96/561680496.db2.gz XWDAKMFLLLOETB-HNNXBMFYSA-N 2 0 366.437 2.222 20 5 FEBDRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362305374 554961821 /nfs/dbraw/zinc/96/18/21/554961821.db2.gz KTMNGJJOZFJWCR-SFHVURJKSA-N 2 0 363.458 2.063 20 5 FEBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794933 555668862 /nfs/dbraw/zinc/66/88/62/555668862.db2.gz LWQJQTXLYHQWLB-BBRMVZONSA-N 2 0 364.402 2.094 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963294 556743267 /nfs/dbraw/zinc/74/32/67/556743267.db2.gz QGIRYRHXGJEYLU-ZWQIFLOQSA-N 2 0 363.458 2.107 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420310733 559479674 /nfs/dbraw/zinc/47/96/74/559479674.db2.gz GDYWVJJZVJXZIB-NNQSOWQGSA-N 2 0 362.430 2.147 20 5 FEBDRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340060 559482003 /nfs/dbraw/zinc/48/20/03/559482003.db2.gz ZTVYTDKBQBPYDX-HDMKZQKVSA-N 2 0 358.442 2.022 20 5 FEBDRP CSC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000574445971 671241243 /nfs/dbraw/zinc/24/12/43/671241243.db2.gz MMHVRUBYPIVGRK-UHFFFAOYSA-N 2 0 366.487 2.340 20 5 FEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008956 673186107 /nfs/dbraw/zinc/18/61/07/673186107.db2.gz WSIHGHQSTBUHSH-GJZGRUSLSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000595012007 673186274 /nfs/dbraw/zinc/18/62/74/673186274.db2.gz MOBSKWXZMCHRNE-LSDHHAIUSA-N 2 0 350.463 2.138 20 5 FEBDRP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000537446225 673390078 /nfs/dbraw/zinc/39/00/78/673390078.db2.gz QIZHVPCAYGEEAY-YOEHRIQHSA-N 2 0 350.463 2.338 20 5 FEBDRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000538548606 673445927 /nfs/dbraw/zinc/44/59/27/673445927.db2.gz QCPGUWYGMZRQSA-PBHICJAKSA-N 2 0 350.463 2.338 20 5 FEBDRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843388131 681000829 /nfs/dbraw/zinc/00/08/29/681000829.db2.gz XTZXZAIIJZGXAL-UHFFFAOYSA-N 2 0 350.394 2.138 20 5 FEBDRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763725 684583564 /nfs/dbraw/zinc/58/35/64/684583564.db2.gz UAYLDUBVMYPEQS-GTHJPQEOSA-N 2 0 370.247 2.199 20 5 FEBDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000281486885 551103654 /nfs/dbraw/zinc/10/36/54/551103654.db2.gz XBQUTQAJBKTBMJ-UHFFFAOYSA-N 2 0 352.410 2.480 20 5 FEBDRP C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295360773 552993997 /nfs/dbraw/zinc/99/39/97/552993997.db2.gz OAPPAEOUXGNUOQ-AWEZNQCLSA-N 2 0 369.425 2.337 20 5 FEBDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000422722043 559604195 /nfs/dbraw/zinc/60/41/95/559604195.db2.gz WUGGKYZGADHLAS-CYBMUJFWSA-N 2 0 365.430 2.014 20 5 FEBDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449197598 560219731 /nfs/dbraw/zinc/21/97/31/560219731.db2.gz WOPKJEKSEZRTOE-MRXNPFEDSA-N 2 0 357.458 2.477 20 5 FEBDRP CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000470019090 560972357 /nfs/dbraw/zinc/97/23/57/560972357.db2.gz RDEQNIPZKQJHBT-KRWDZBQOSA-N 2 0 374.485 2.362 20 5 FEBDRP CC1(C)CC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000556602316 674408070 /nfs/dbraw/zinc/40/80/70/674408070.db2.gz NBWPEKUQIGQVTI-OAHLLOKOSA-N 2 0 351.447 2.233 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000595007837 673185657 /nfs/dbraw/zinc/18/56/57/673185657.db2.gz PTCAMJMRYXCFDG-AWEZNQCLSA-N 2 0 350.463 2.280 20 5 FEBDRP CN1CCC(CNc2ncc(F)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000601121740 673827121 /nfs/dbraw/zinc/82/71/21/673827121.db2.gz RAKCJWSAPZXXEH-UHFFFAOYSA-N 2 0 351.426 2.491 20 5 FEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068955 690841293 /nfs/dbraw/zinc/84/12/93/690841293.db2.gz QDBQDGYOJVYPGW-LSDHHAIUSA-N 2 0 350.463 2.280 20 5 FEBDRP CC(C)c1nccn1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178783 554908308 /nfs/dbraw/zinc/90/83/08/554908308.db2.gz GYTUSUKZYOYGDH-OAHLLOKOSA-N 2 0 359.430 2.414 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343932 555295538 /nfs/dbraw/zinc/29/55/38/555295538.db2.gz PULYLNSJLUHMLQ-LZQZEXGQSA-N 2 0 363.458 2.453 20 5 FEBDRP CCc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938049 556735738 /nfs/dbraw/zinc/73/57/38/556735738.db2.gz SISOFRXTGUCEQQ-INIZCTEOSA-N 2 0 360.458 2.056 20 5 FEBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414991018 559199226 /nfs/dbraw/zinc/19/92/26/559199226.db2.gz PWBLKECAQGHLHP-NQYLQCIDSA-N 2 0 374.485 2.152 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420317551 559480083 /nfs/dbraw/zinc/48/00/83/559480083.db2.gz VBRMXDPBLNSREI-ZDUSSCGKSA-N 2 0 350.419 2.006 20 5 FEBDRP Cn1ccnc1[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483972 559629987 /nfs/dbraw/zinc/62/99/87/559629987.db2.gz QMIYWPISPGLSHC-ZIAGYGMSSA-N 2 0 351.357 2.005 20 5 FEBDRP COc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424289672 559660836 /nfs/dbraw/zinc/66/08/36/559660836.db2.gz MGIOLKWVHHBOEB-ZDUSSCGKSA-N 2 0 362.430 2.006 20 5 FEBDRP C[C@@H]1CC2(C[N@@H+]1CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC[NH2+]CC2 ZINC000424301645 559661005 /nfs/dbraw/zinc/66/10/05/559661005.db2.gz XXOLTGDDVCIMNB-CQSZACIVSA-N 2 0 374.441 2.357 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015959 559832434 /nfs/dbraw/zinc/83/24/34/559832434.db2.gz XRZGOBDTKGDGPG-UHFFFAOYSA-N 2 0 362.430 2.008 20 5 FEBDRP O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435690012 559928161 /nfs/dbraw/zinc/92/81/61/559928161.db2.gz AWXLXKAGSDDUNJ-HNNXBMFYSA-N 2 0 361.471 2.497 20 5 FEBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780045 560057233 /nfs/dbraw/zinc/05/72/33/560057233.db2.gz MYKKPAMQGBFWMG-NNQSOWQGSA-N 2 0 360.414 2.108 20 5 FEBDRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864002 561013290 /nfs/dbraw/zinc/01/32/90/561013290.db2.gz HFHPKKZBRHUBFO-HKUYNNGSSA-N 2 0 357.458 2.463 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419764 /nfs/dbraw/zinc/41/97/64/562419764.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 2 0 351.447 2.139 20 5 FEBDRP C[NH+](C)CC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000532921124 562492612 /nfs/dbraw/zinc/49/26/12/562492612.db2.gz SVIDQUYYEOEECX-UHFFFAOYSA-N 2 0 362.430 2.166 20 5 FEBDRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000569595938 568409003 /nfs/dbraw/zinc/40/90/03/568409003.db2.gz YXPWWBIGQXCNEI-INIZCTEOSA-N 2 0 351.447 2.046 20 5 FEBDRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000817880356 675184728 /nfs/dbraw/zinc/18/47/28/675184728.db2.gz QFMFYBFAGOZFCP-FRRDWIJNSA-N 2 0 352.410 2.368 20 5 FEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000817880358 675184781 /nfs/dbraw/zinc/18/47/81/675184781.db2.gz QFMFYBFAGOZFCP-UPJWGTAASA-N 2 0 352.410 2.368 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271637 671356546 /nfs/dbraw/zinc/35/65/46/671356546.db2.gz FYMOCWPLPXBXLZ-JKSUJKDBSA-N 2 0 351.447 2.045 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000866230727 684085006 /nfs/dbraw/zinc/08/50/06/684085006.db2.gz AKDAHALOADHVAE-OAHLLOKOSA-N 2 0 352.454 2.282 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000125591368 543890332 /nfs/dbraw/zinc/89/03/32/543890332.db2.gz VATZQNFRJKGQME-QGZVFWFLSA-N 2 0 362.474 2.391 20 5 FEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839440 544404997 /nfs/dbraw/zinc/40/49/97/544404997.db2.gz HQUGYORKNNLVMW-HOCLYGCPSA-N 2 0 374.441 2.309 20 5 FEBDRP CNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272786706 329813537 /nfs/dbraw/zinc/81/35/37/329813537.db2.gz BLXMKDNXTFANFE-UHFFFAOYSA-N 2 0 357.414 2.074 20 5 FEBDRP COCCN1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237122896 548801913 /nfs/dbraw/zinc/80/19/13/548801913.db2.gz CZYXAFVSCNHTAH-UHFFFAOYSA-N 2 0 373.457 2.196 20 5 FEBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000262163315 549794836 /nfs/dbraw/zinc/79/48/36/549794836.db2.gz SZQJNERYAVXCOA-QGZVFWFLSA-N 2 0 356.426 2.334 20 5 FEBDRP C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295360775 552993734 /nfs/dbraw/zinc/99/37/34/552993734.db2.gz OAPPAEOUXGNUOQ-CQSZACIVSA-N 2 0 369.425 2.337 20 5 FEBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893279 558095135 /nfs/dbraw/zinc/09/51/35/558095135.db2.gz YFSDXWUFDHGEKL-KRWDZBQOSA-N 2 0 362.474 2.074 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333176 559481268 /nfs/dbraw/zinc/48/12/68/559481268.db2.gz HNYCEGKKYIMZOG-INIZCTEOSA-N 2 0 374.441 2.357 20 5 FEBDRP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333020 559481284 /nfs/dbraw/zinc/48/12/84/559481284.db2.gz HDIXXVNFBKXREM-ZWKOTPCHSA-N 2 0 358.442 2.164 20 5 FEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000451982769 560342209 /nfs/dbraw/zinc/34/22/09/560342209.db2.gz KAHAFWGIHKIKQU-UHFFFAOYSA-N 2 0 350.463 2.109 20 5 FEBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000470002237 560971560 /nfs/dbraw/zinc/97/15/60/560971560.db2.gz FNABGUHCEMPHNX-HNNXBMFYSA-N 2 0 372.425 2.142 20 5 FEBDRP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594312 675134950 /nfs/dbraw/zinc/13/49/50/675134950.db2.gz UFRYLSHVHGMFSE-HOTGVXAUSA-N 2 0 351.447 2.046 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457792 671370062 /nfs/dbraw/zinc/37/00/62/671370062.db2.gz RNUJHHIMANIWSI-WBVHZDCISA-N 2 0 351.447 2.045 20 5 FEBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000591284962 672664947 /nfs/dbraw/zinc/66/49/47/672664947.db2.gz FQIXJADCKFLQCC-ZBFHGGJFSA-N 2 0 351.834 2.449 20 5 FEBDRP C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727750 672705095 /nfs/dbraw/zinc/70/50/95/672705095.db2.gz FVJNLEJXWZSBKT-WBVHZDCISA-N 2 0 351.447 2.046 20 5 FEBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000841069642 680861725 /nfs/dbraw/zinc/86/17/25/680861725.db2.gz BSOTWZYWKRTICJ-ZDUSSCGKSA-N 2 0 366.771 2.174 20 5 FEBDRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475667 680949300 /nfs/dbraw/zinc/94/93/00/680949300.db2.gz XSFXEBKQOQSOOJ-QGZVFWFLSA-N 2 0 350.394 2.138 20 5 FEBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000853247645 682398311 /nfs/dbraw/zinc/39/83/11/682398311.db2.gz WIAFUNMHRQBUAH-UHFFFAOYSA-N 2 0 368.865 2.328 20 5 FEBDRP C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000866260842 684086806 /nfs/dbraw/zinc/08/68/06/684086806.db2.gz YBZVVBIZSOGPDW-HUUCEWRRSA-N 2 0 352.454 2.138 20 5 FEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777416 684584731 /nfs/dbraw/zinc/58/47/31/684584731.db2.gz DMHYQUUUFKQGQE-NWDGAFQWSA-N 2 0 356.373 2.146 20 5 FEBDRP CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC[NH+](C)CC1 ZINC000879704849 686891338 /nfs/dbraw/zinc/89/13/38/686891338.db2.gz VOMCDDVGJHTIKS-UHFFFAOYSA-N 2 0 350.463 2.056 20 5 FEBDRP C[C@@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413022 543760144 /nfs/dbraw/zinc/76/01/44/543760144.db2.gz IWFKMVXIJRMIIP-ZIAGYGMSSA-N 2 0 362.430 2.307 20 5 FEBDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000503198771 561636555 /nfs/dbraw/zinc/63/65/55/561636555.db2.gz MVWFVVPPTXCAEG-WBVHZDCISA-N 2 0 350.463 2.247 20 5 FEBDRP CC(C)c1nccn1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178782 554908141 /nfs/dbraw/zinc/90/81/41/554908141.db2.gz GYTUSUKZYOYGDH-HNNXBMFYSA-N 2 0 359.430 2.414 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659163 555157828 /nfs/dbraw/zinc/15/78/28/555157828.db2.gz GKZHKNRVBBTOIF-BFYDXBDKSA-N 2 0 358.442 2.340 20 5 FEBDRP CN(C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000366863023 555953778 /nfs/dbraw/zinc/95/37/78/555953778.db2.gz DOZAFDJUZCPYLH-UHFFFAOYSA-N 2 0 360.458 2.365 20 5 FEBDRP Cc1ncc(CN2CC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H](C)C2)s1 ZINC000368950718 556457115 /nfs/dbraw/zinc/45/71/15/556457115.db2.gz NHIKERCZSAVXRM-WFASDCNBSA-N 2 0 364.475 2.056 20 5 FEBDRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747604 562097055 /nfs/dbraw/zinc/09/70/55/562097055.db2.gz ZBQNFMJQBCEQPE-HZPDHXFCSA-N 2 0 371.441 2.227 20 5 FEBDRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414838733 559190438 /nfs/dbraw/zinc/19/04/38/559190438.db2.gz VPWYUDWCGQZREI-NSHDSACASA-N 2 0 359.373 2.337 20 5 FEBDRP COc1ccc(-c2ccc(C[NH+]3CCC(O)(C[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000415140125 559208010 /nfs/dbraw/zinc/20/80/10/559208010.db2.gz JQFFGEBIGIRHQU-UHFFFAOYSA-N 2 0 361.398 2.149 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420317443 559480138 /nfs/dbraw/zinc/48/01/38/559480138.db2.gz OOPQQIVPKDGEJP-CYBMUJFWSA-N 2 0 350.419 2.135 20 5 FEBDRP COCCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543757 560164232 /nfs/dbraw/zinc/16/42/32/560164232.db2.gz SCGVKJDQYHTJHH-IRXDYDNUSA-N 2 0 365.478 2.366 20 5 FEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000451985222 560342613 /nfs/dbraw/zinc/34/26/13/560342613.db2.gz MFWWWCSKKLSTPK-UHFFFAOYSA-N 2 0 368.453 2.248 20 5 FEBDRP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000570474663 568478069 /nfs/dbraw/zinc/47/80/69/568478069.db2.gz MRBCVPAZTYEHJY-TWMKSMIVSA-N 2 0 365.478 2.364 20 5 FEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579823241 671763016 /nfs/dbraw/zinc/76/30/16/671763016.db2.gz KLNRDGMSRHKHOQ-BZUAXINKSA-N 2 0 353.467 2.221 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000595031723 673187764 /nfs/dbraw/zinc/18/77/64/673187764.db2.gz CBMXTMCEHJWUGG-LSDHHAIUSA-N 2 0 350.463 2.280 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694180 /nfs/dbraw/zinc/69/41/80/673694180.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 2 0 351.447 2.139 20 5 FEBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843363472 680999753 /nfs/dbraw/zinc/99/97/53/680999753.db2.gz LVHSIJVSVFUXDE-UHFFFAOYSA-N 2 0 352.410 2.384 20 5 FEBDRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843360291 680999796 /nfs/dbraw/zinc/99/97/96/680999796.db2.gz MHHDJOVJEKOJTO-YHWZYXNKSA-N 2 0 350.394 2.407 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000866226478 684084646 /nfs/dbraw/zinc/08/46/46/684084646.db2.gz LLFJMLIOHHZTJP-CQSZACIVSA-N 2 0 352.454 2.281 20 5 FEBDRP COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000877665419 686432605 /nfs/dbraw/zinc/43/26/05/686432605.db2.gz UXQMOKANRKOTLU-UHFFFAOYSA-N 2 0 351.447 2.394 20 5 FEBDRP COc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903154495 690856962 /nfs/dbraw/zinc/85/69/62/690856962.db2.gz ZHZFGNIIUMNSES-GJZGRUSLSA-N 2 0 350.463 2.280 20 5 FEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938084 544081894 /nfs/dbraw/zinc/08/18/94/544081894.db2.gz KVEAIWADEZBDKG-GUYCJALGSA-N 2 0 364.421 2.479 20 5 FEBDRP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830763 544075544 /nfs/dbraw/zinc/07/55/44/544075544.db2.gz MIZILFIHSUADMV-STQMWFEESA-N 2 0 352.410 2.477 20 5 FEBDRP Cc1c(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269690977 329540438 /nfs/dbraw/zinc/54/04/38/329540438.db2.gz KDMPZJXLPOLTOG-UHFFFAOYSA-N 2 0 364.490 2.178 20 5 FEBDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446412 548924266 /nfs/dbraw/zinc/92/42/66/548924266.db2.gz ZTZABZHEAQMNDO-YOEHRIQHSA-N 2 0 360.458 2.146 20 5 FEBDRP Nc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000286184966 551858797 /nfs/dbraw/zinc/85/87/97/551858797.db2.gz JLQLCPJHLLEOHH-UHFFFAOYSA-N 2 0 356.430 2.196 20 5 FEBDRP Cc1ncc(CN2CC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H](C)C2)s1 ZINC000368950716 556457034 /nfs/dbraw/zinc/45/70/34/556457034.db2.gz NHIKERCZSAVXRM-SWLSCSKDSA-N 2 0 364.475 2.056 20 5 FEBDRP [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC[NH+](Cc2ccccc2)CC1 ZINC000424023070 559651617 /nfs/dbraw/zinc/65/16/17/559651617.db2.gz AGDRIKNDKLNYQM-UHFFFAOYSA-N 2 0 374.466 2.380 20 5 FEBDRP COc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371828 559921642 /nfs/dbraw/zinc/92/16/42/559921642.db2.gz OYZQDGRCPYMEHW-ZYHUDNBSSA-N 2 0 359.373 2.416 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419652 /nfs/dbraw/zinc/41/96/52/562419652.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 2 0 351.447 2.139 20 5 FEBDRP CCOc1cccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000866012234 684060433 /nfs/dbraw/zinc/06/04/33/684060433.db2.gz VDAFRTBWGFYMQU-HUUCEWRRSA-N 2 0 350.463 2.169 20 5 FEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068952 690841030 /nfs/dbraw/zinc/84/10/30/690841030.db2.gz QDBQDGYOJVYPGW-CABCVRRESA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091708 690842922 /nfs/dbraw/zinc/84/29/22/690842922.db2.gz ZBIBRHSGSWGVDO-HNNXBMFYSA-N 2 0 350.463 2.282 20 5 FEBDRP Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000481694533 561238791 /nfs/dbraw/zinc/23/87/91/561238791.db2.gz UMVOOBLMXPSXQD-UHFFFAOYSA-N 2 0 356.430 2.317 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099221 554904150 /nfs/dbraw/zinc/90/41/50/554904150.db2.gz BQAIAINRVYLVCO-LZQZEXGQSA-N 2 0 363.458 2.453 20 5 FEBDRP CC1CC[NH+](CC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000371283423 557130891 /nfs/dbraw/zinc/13/08/91/557130891.db2.gz JBMXODGAYBECFH-UHFFFAOYSA-N 2 0 362.474 2.200 20 5 FEBDRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423454005 559629667 /nfs/dbraw/zinc/62/96/67/559629667.db2.gz LGEUGYOUQKVAQP-CRFBAAHOSA-N 2 0 360.458 2.201 20 5 FEBDRP Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423470713 559629876 /nfs/dbraw/zinc/62/98/76/559629876.db2.gz ZGJGUBGYWLPYLK-NRXGSXMXSA-N 2 0 360.458 2.201 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430571301 559823081 /nfs/dbraw/zinc/82/30/81/559823081.db2.gz CNGBXWXHFBFFLR-CQSZACIVSA-N 2 0 352.435 2.237 20 5 FEBDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710213 560195941 /nfs/dbraw/zinc/19/59/41/560195941.db2.gz SSHRDCYLWPMAGX-CABCVRRESA-N 2 0 355.398 2.137 20 5 FEBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000563136479 568269854 /nfs/dbraw/zinc/26/98/54/568269854.db2.gz ZOWPJBITQNMCOM-HYXAFXHYSA-N 2 0 368.441 2.182 20 5 FEBDRP CCC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000569229287 568315847 /nfs/dbraw/zinc/31/58/47/568315847.db2.gz NOHHKKGUJYAPKH-UHFFFAOYSA-N 2 0 369.487 2.080 20 5 FEBDRP CC1(C)CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000556602315 674408152 /nfs/dbraw/zinc/40/81/52/674408152.db2.gz NBWPEKUQIGQVTI-HNNXBMFYSA-N 2 0 351.447 2.233 20 5 FEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233133 684084920 /nfs/dbraw/zinc/08/49/20/684084920.db2.gz RPKDUBIQSZRFIT-GJZGRUSLSA-N 2 0 352.454 2.281 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091677 690843008 /nfs/dbraw/zinc/84/30/08/690843008.db2.gz YMYKTSJUCROPTR-LSDHHAIUSA-N 2 0 350.463 2.138 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268061333 329381585 /nfs/dbraw/zinc/38/15/85/329381585.db2.gz XBYGWMYEGALRBK-UHFFFAOYSA-N 2 0 364.490 2.259 20 5 FEBDRP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000297124124 330193927 /nfs/dbraw/zinc/19/39/27/330193927.db2.gz YWODOOPVGSBKCH-CQSZACIVSA-N 2 0 357.414 2.337 20 5 FEBDRP COCC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263815785 549941261 /nfs/dbraw/zinc/94/12/61/549941261.db2.gz OLMOZUMUICIZHC-UHFFFAOYSA-N 2 0 361.446 2.053 20 5 FEBDRP CCOc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276985889 550618496 /nfs/dbraw/zinc/61/84/96/550618496.db2.gz ZBWVEUMLPHSPJZ-UHFFFAOYSA-N 2 0 350.463 2.063 20 5 FEBDRP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378435633 558556317 /nfs/dbraw/zinc/55/63/17/558556317.db2.gz UVVUMPQSTXOTAA-SFHVURJKSA-N 2 0 362.474 2.074 20 5 FEBDRP [NH3+]C[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303969 559661007 /nfs/dbraw/zinc/66/10/07/559661007.db2.gz QCLKQBQGZGVCGG-ZBFHGGJFSA-N 2 0 359.405 2.358 20 5 FEBDRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864297 561013427 /nfs/dbraw/zinc/01/34/27/561013427.db2.gz IBVUKSDDTYZXKX-ROUUACIJSA-N 2 0 357.458 2.463 20 5 FEBDRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])cc1O ZINC000580982238 671852462 /nfs/dbraw/zinc/85/24/62/671852462.db2.gz GNKPORDGODFTIY-UHFFFAOYSA-N 2 0 355.460 2.226 20 5 FEBDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000582058023 671963101 /nfs/dbraw/zinc/96/31/01/671963101.db2.gz MRSLKUNDNMALEY-INIZCTEOSA-N 2 0 351.447 2.189 20 5 FEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008954 673185946 /nfs/dbraw/zinc/18/59/46/673185946.db2.gz WSIHGHQSTBUHSH-CABCVRRESA-N 2 0 350.463 2.280 20 5 FEBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071732 680099162 /nfs/dbraw/zinc/09/91/62/680099162.db2.gz LCTOLWDCQKFBIY-MSOLQXFVSA-N 2 0 351.447 2.061 20 5 FEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233130 684084982 /nfs/dbraw/zinc/08/49/82/684084982.db2.gz RPKDUBIQSZRFIT-CABCVRRESA-N 2 0 352.454 2.281 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000881020825 687107585 /nfs/dbraw/zinc/10/75/85/687107585.db2.gz QFDWZOBVNUTAFF-ZIAGYGMSSA-N 2 0 368.865 2.060 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091676 690843018 /nfs/dbraw/zinc/84/30/18/690843018.db2.gz YMYKTSJUCROPTR-HUUCEWRRSA-N 2 0 350.463 2.138 20 5 FEBDRP COc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903154496 690857152 /nfs/dbraw/zinc/85/71/52/690857152.db2.gz ZHZFGNIIUMNSES-HUUCEWRRSA-N 2 0 350.463 2.280 20 5 FEBDRP C[C@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413580 543760269 /nfs/dbraw/zinc/76/02/69/543760269.db2.gz IWFKMVXIJRMIIP-KBPBESRZSA-N 2 0 362.430 2.307 20 5 FEBDRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153615909 544798719 /nfs/dbraw/zinc/79/87/19/544798719.db2.gz LGNMSZVURGRBCK-CABCVRRESA-N 2 0 350.463 2.280 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000489829542 561420106 /nfs/dbraw/zinc/42/01/06/561420106.db2.gz SCRNAKLIZZGDEG-ZDUSSCGKSA-N 2 0 350.419 2.135 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659166 555157707 /nfs/dbraw/zinc/15/77/07/555157707.db2.gz GKZHKNRVBBTOIF-VYDXJSESSA-N 2 0 358.442 2.340 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345262 555296132 /nfs/dbraw/zinc/29/61/32/555296132.db2.gz UYCJBFPHVHGMHM-ZACQAIPSSA-N 2 0 363.458 2.453 20 5 FEBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000365772004 555664298 /nfs/dbraw/zinc/66/42/98/555664298.db2.gz ZBHAFOPDQHRIEK-SUMWQHHRSA-N 2 0 356.382 2.470 20 5 FEBDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374073693 557818626 /nfs/dbraw/zinc/81/86/26/557818626.db2.gz CGGRRTMETQKVKJ-QGZVFWFLSA-N 2 0 363.458 2.142 20 5 FEBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969442 559198019 /nfs/dbraw/zinc/19/80/19/559198019.db2.gz GSASALLKCHVUEI-UYWPIULCSA-N 2 0 358.364 2.034 20 5 FEBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329554 559481019 /nfs/dbraw/zinc/48/10/19/559481019.db2.gz OQZLDVIWNRLGBK-GJZGRUSLSA-N 2 0 357.414 2.466 20 5 FEBDRP Cn1ccnc1[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483970 559630072 /nfs/dbraw/zinc/63/00/72/559630072.db2.gz QMIYWPISPGLSHC-KGLIPLIRSA-N 2 0 351.357 2.005 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430566462 559823065 /nfs/dbraw/zinc/82/30/65/559823065.db2.gz CMEKARPNPQJIOW-AWEZNQCLSA-N 2 0 352.435 2.237 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000595012006 673186201 /nfs/dbraw/zinc/18/62/01/673186201.db2.gz MOBSKWXZMCHRNE-HUUCEWRRSA-N 2 0 350.463 2.138 20 5 FEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000843367263 680999964 /nfs/dbraw/zinc/99/99/64/680999964.db2.gz CBZKBXBDCCNTSC-NJZAAPMLSA-N 2 0 350.394 2.122 20 5 FEBDRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843364277 681000031 /nfs/dbraw/zinc/00/00/31/681000031.db2.gz ZFYFIEOAOGQRMZ-UHFFFAOYSA-N 2 0 352.822 2.262 20 5 FEBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815937 683040372 /nfs/dbraw/zinc/04/03/72/683040372.db2.gz UMDBFMFYRSCUIC-HNNXBMFYSA-N 2 0 352.504 2.478 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C[NH+](C)C ZINC000870018862 684675182 /nfs/dbraw/zinc/67/51/82/684675182.db2.gz YQQSADJPVKCKLH-CHWSQXEVSA-N 2 0 368.865 2.060 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2sccn2c1[N+](=O)[O-] ZINC000176819812 327478051 /nfs/dbraw/zinc/47/80/51/327478051.db2.gz ZTVXVIDDCBYJHU-UHFFFAOYSA-N 2 0 354.480 2.014 20 5 FEBDRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284937723 551671612 /nfs/dbraw/zinc/67/16/12/551671612.db2.gz DRSWBQBMAGNQBR-CYBMUJFWSA-N 2 0 359.430 2.363 20 5 FEBDRP O=[N+]([O-])c1cnn(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605575 551781801 /nfs/dbraw/zinc/78/18/01/551781801.db2.gz PUNVYBFHVBGXAB-LJQANCHMSA-N 2 0 355.442 2.389 20 5 FEBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907620 558097988 /nfs/dbraw/zinc/09/79/88/558097988.db2.gz YMOFLSOLHNUGEV-GOSISDBHSA-N 2 0 362.474 2.074 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373773 559483690 /nfs/dbraw/zinc/48/36/90/559483690.db2.gz NFQHHVKBUDMFNZ-SFHVURJKSA-N 2 0 362.430 2.008 20 5 FEBDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710215 560195738 /nfs/dbraw/zinc/19/57/38/560195738.db2.gz SSHRDCYLWPMAGX-HUUCEWRRSA-N 2 0 355.398 2.137 20 5 FEBDRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000471864298 561013316 /nfs/dbraw/zinc/01/33/16/561013316.db2.gz IBVUKSDDTYZXKX-ZWKOTPCHSA-N 2 0 357.458 2.463 20 5 FEBDRP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@@H]3C)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895741017 689764026 /nfs/dbraw/zinc/76/40/26/689764026.db2.gz WQAQXOJQHRRWFT-WISYIIOYSA-N 2 0 354.480 2.060 20 5 FEBDRP Cc1nccn1CCCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000269557494 550205954 /nfs/dbraw/zinc/20/59/54/550205954.db2.gz BPRSKRATHFYDEB-UHFFFAOYSA-N 2 0 368.397 2.448 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000281192976 551072385 /nfs/dbraw/zinc/07/23/85/551072385.db2.gz BVDLIPWMAIHSRP-UHFFFAOYSA-N 2 0 364.446 2.350 20 5 FEBDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000365380979 555558553 /nfs/dbraw/zinc/55/85/53/555558553.db2.gz SLUQGEPYGNAYEQ-CYBMUJFWSA-N 2 0 352.410 2.479 20 5 FEBDRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299586 557861487 /nfs/dbraw/zinc/86/14/87/557861487.db2.gz YKFJVVOTWSTEIV-MRXNPFEDSA-N 2 0 372.469 2.390 20 5 FEBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969439 559197837 /nfs/dbraw/zinc/19/78/37/559197837.db2.gz GSASALLKCHVUEI-QTLSWZBMSA-N 2 0 358.364 2.034 20 5 FEBDRP Cc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376636 559627237 /nfs/dbraw/zinc/62/72/37/559627237.db2.gz DWPILMOEKAKADS-WFASDCNBSA-N 2 0 360.380 2.390 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423538031 559631514 /nfs/dbraw/zinc/63/15/14/559631514.db2.gz FBKGYCAQPUILAQ-LISAXSMJSA-N 2 0 355.442 2.395 20 5 FEBDRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543758 560164184 /nfs/dbraw/zinc/16/41/84/560164184.db2.gz SCGVKJDQYHTJHH-SJORKVTESA-N 2 0 365.478 2.366 20 5 FEBDRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448712258 560195907 /nfs/dbraw/zinc/19/59/07/560195907.db2.gz XXMCYFAZLYYTRT-AWEZNQCLSA-N 2 0 357.414 2.385 20 5 FEBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694148 /nfs/dbraw/zinc/69/41/48/673694148.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 2 0 351.447 2.139 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354723 680999552 /nfs/dbraw/zinc/99/95/52/680999552.db2.gz FENXEQOGVRSDLC-UHFFFAOYSA-N 2 0 350.419 2.134 20 5 FEBDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385735 683711993 /nfs/dbraw/zinc/71/19/93/683711993.db2.gz ABVYJRXAVOJQGC-TVFCKZIOSA-N 2 0 351.422 2.303 20 5 FEBDRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000866260840 684086794 /nfs/dbraw/zinc/08/67/94/684086794.db2.gz YBZVVBIZSOGPDW-GJZGRUSLSA-N 2 0 352.454 2.138 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000866353607 684094208 /nfs/dbraw/zinc/09/42/08/684094208.db2.gz UVAIIJKTEQEUGX-AWEZNQCLSA-N 2 0 352.454 2.281 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903064895 690840576 /nfs/dbraw/zinc/84/05/76/690840576.db2.gz AYLPYEIFXJUMIW-CQSZACIVSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091709 690842978 /nfs/dbraw/zinc/84/29/78/690842978.db2.gz ZBIBRHSGSWGVDO-OAHLLOKOSA-N 2 0 350.463 2.282 20 5 FEBDRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464223 549337303 /nfs/dbraw/zinc/33/73/03/549337303.db2.gz IQZKYYRBIFJPME-NVXWUHKLSA-N 2 0 351.447 2.141 20 5 FEBDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182324644 327770647 /nfs/dbraw/zinc/77/06/47/327770647.db2.gz WNONKVYACSIDFH-QGZVFWFLSA-N 2 0 365.474 2.388 20 5 FEBDRP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121651305 326355027 /nfs/dbraw/zinc/35/50/27/326355027.db2.gz LNAFGMLVMFNKED-SFHVURJKSA-N 2 0 360.458 2.364 20 5 FEBDRP Nc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000282112377 551182018 /nfs/dbraw/zinc/18/20/18/551182018.db2.gz AHQWXAQGZQXEOA-UHFFFAOYSA-N 2 0 356.430 2.196 20 5 FEBDRP C[NH+]1CCC2(CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000374075276 557819206 /nfs/dbraw/zinc/81/92/06/557819206.db2.gz RQQWFZHLGVWQMX-UHFFFAOYSA-N 2 0 372.469 2.292 20 5 FEBDRP COC(=O)COc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414807344 559188859 /nfs/dbraw/zinc/18/88/59/559188859.db2.gz CRYBURGFPJIMNF-CYBMUJFWSA-N 2 0 373.409 2.456 20 5 FEBDRP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333015 559481279 /nfs/dbraw/zinc/48/12/79/559481279.db2.gz HDIXXVNFBKXREM-QZTJIDSGSA-N 2 0 358.442 2.164 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422631940 559598998 /nfs/dbraw/zinc/59/89/98/559598998.db2.gz GBVFUHIANPCIKW-IHRRRGAJSA-N 2 0 364.446 2.237 20 5 FEBDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376630 559627227 /nfs/dbraw/zinc/62/72/27/559627227.db2.gz DWPILMOEKAKADS-IUODEOHRSA-N 2 0 360.380 2.390 20 5 FEBDRP COc1ccc(NC(=O)CC[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431037470 559832877 /nfs/dbraw/zinc/83/28/77/559832877.db2.gz KKFWOUAACSXIMD-UHFFFAOYSA-N 2 0 362.430 2.008 20 5 FEBDRP C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448710772 560195862 /nfs/dbraw/zinc/19/58/62/560195862.db2.gz VBCNGHVDEOFPNO-AWEZNQCLSA-N 2 0 357.414 2.242 20 5 FEBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470012599 560972083 /nfs/dbraw/zinc/97/20/83/560972083.db2.gz RDBQHJAXUGOVLE-OAHLLOKOSA-N 2 0 372.425 2.142 20 5 FEBDRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000471864004 561013401 /nfs/dbraw/zinc/01/34/01/561013401.db2.gz HFHPKKZBRHUBFO-MJGOQNOKSA-N 2 0 357.458 2.463 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271635 671356679 /nfs/dbraw/zinc/35/66/79/671356679.db2.gz FYMOCWPLPXBXLZ-HOTGVXAUSA-N 2 0 351.447 2.045 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843353824 680999318 /nfs/dbraw/zinc/99/93/18/680999318.db2.gz MAMRBGKUWFGLCE-UHFFFAOYSA-N 2 0 350.419 2.134 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125571878 543889379 /nfs/dbraw/zinc/88/93/79/543889379.db2.gz XQAVVJGUGFWEQQ-KRWDZBQOSA-N 2 0 362.474 2.391 20 5 FEBDRP CCCC[N@H+](C)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518242 325361984 /nfs/dbraw/zinc/36/19/84/325361984.db2.gz XIXBKZLOIFUVSM-UHFFFAOYSA-N 2 0 350.463 2.200 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288471460 552159037 /nfs/dbraw/zinc/15/90/37/552159037.db2.gz QNCQGOIFZVDAME-UHFFFAOYSA-N 2 0 366.491 2.309 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000499915331 561561392 /nfs/dbraw/zinc/56/13/92/561561392.db2.gz XQPMEXYXYHKRHF-UHFFFAOYSA-N 2 0 364.446 2.350 20 5 FEBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887113 558093856 /nfs/dbraw/zinc/09/38/56/558093856.db2.gz BVVGGQLARIFQRV-GOSISDBHSA-N 2 0 362.474 2.074 20 5 FEBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395984 559627788 /nfs/dbraw/zinc/62/77/88/559627788.db2.gz SVMBRHPIGKZTDO-HZPDHXFCSA-N 2 0 372.391 2.398 20 5 FEBDRP CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623332 559926573 /nfs/dbraw/zinc/92/65/73/559926573.db2.gz CEQMNQPKRVTMHN-CQSZACIVSA-N 2 0 364.446 2.396 20 5 FEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635757 560934560 /nfs/dbraw/zinc/93/45/60/560934560.db2.gz STFNGBWQBIIXGY-JMPLCFMRSA-N 2 0 360.458 2.175 20 5 FEBDRP C[C@H](CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873497 675070949 /nfs/dbraw/zinc/07/09/49/675070949.db2.gz OZPIQRXHWTZCTQ-WBVHZDCISA-N 2 0 351.447 2.189 20 5 FEBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727747 672705221 /nfs/dbraw/zinc/70/52/21/672705221.db2.gz FVJNLEJXWZSBKT-DOTOQJQBSA-N 2 0 351.447 2.046 20 5 FEBDRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261985335 672906855 /nfs/dbraw/zinc/90/68/55/672906855.db2.gz JSAIKZUHRNRIQK-ZDUSSCGKSA-N 2 0 354.838 2.068 20 5 FEBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000596107169 673359280 /nfs/dbraw/zinc/35/92/80/673359280.db2.gz SLBVUHOTRSJWMY-UHFFFAOYSA-N 2 0 368.865 2.328 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH+](C)C ZINC000877669467 686433106 /nfs/dbraw/zinc/43/31/06/686433106.db2.gz KOJSPZJATZXVNN-HUUCEWRRSA-N 2 0 354.882 2.419 20 5 FEBDRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000047977369 540338473 /nfs/dbraw/zinc/33/84/73/540338473.db2.gz JQHNIKNBSFLOES-GOSISDBHSA-N 2 0 365.474 2.388 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000125592161 543890817 /nfs/dbraw/zinc/89/08/17/543890817.db2.gz QHEUFYMYAZESBS-KRWDZBQOSA-N 2 0 362.474 2.391 20 5 FEBDRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000155311363 545509104 /nfs/dbraw/zinc/50/91/04/545509104.db2.gz DPLLELFJWDJJSF-NVXWUHKLSA-N 2 0 362.474 2.497 20 5 FEBDRP O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000159805980 545981530 /nfs/dbraw/zinc/98/15/30/545981530.db2.gz HUAHMCMYZBRFFL-QGZVFWFLSA-N 2 0 362.474 2.345 20 5 FEBDRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284937727 551671788 /nfs/dbraw/zinc/67/17/88/551671788.db2.gz DRSWBQBMAGNQBR-ZDUSSCGKSA-N 2 0 359.430 2.363 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420326170 559480740 /nfs/dbraw/zinc/48/07/40/559480740.db2.gz XFMYKSAFCIEGEY-PBWFPOADSA-N 2 0 362.430 2.147 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430594165 559824042 /nfs/dbraw/zinc/82/40/42/559824042.db2.gz GCEACQDTXGJRKW-CQSZACIVSA-N 2 0 352.435 2.237 20 5 FEBDRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435387483 559922026 /nfs/dbraw/zinc/92/20/26/559922026.db2.gz AJATUBCLLPEIKM-UHFFFAOYSA-N 2 0 359.373 2.418 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271634 671356589 /nfs/dbraw/zinc/35/65/89/671356589.db2.gz FYMOCWPLPXBXLZ-CVEARBPZSA-N 2 0 351.447 2.045 20 5 FEBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000841069636 680861704 /nfs/dbraw/zinc/86/17/04/680861704.db2.gz BSOTWZYWKRTICJ-CYBMUJFWSA-N 2 0 366.771 2.174 20 5 FEBDRP CCOc1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000843353786 680999249 /nfs/dbraw/zinc/99/92/49/680999249.db2.gz JLNZMWGCFLJFJX-UHFFFAOYSA-N 2 0 350.419 2.134 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000866261902 684087270 /nfs/dbraw/zinc/08/72/70/684087270.db2.gz ATOYQENTNXYNGO-PBHICJAKSA-N 2 0 353.438 2.491 20 5 FEBDRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762735 684583212 /nfs/dbraw/zinc/58/32/12/684583212.db2.gz NRPDIEALXYJFCF-GWCFXTLKSA-N 2 0 358.236 2.214 20 5 FEBDRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153674197 326739473 /nfs/dbraw/zinc/73/94/73/326739473.db2.gz DLZYZZWKQQRBMN-HUUCEWRRSA-N 2 0 350.463 2.280 20 5 FEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248745 561315752 /nfs/dbraw/zinc/31/57/52/561315752.db2.gz HQUGYORKNNLVMW-GDBMZVCRSA-N 2 0 374.441 2.309 20 5 FEBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCC[NH+]1CCCC1 ZINC000499908965 561561288 /nfs/dbraw/zinc/56/12/88/561561288.db2.gz UGVZLKQOMOPMSN-UHFFFAOYSA-N 2 0 362.430 2.311 20 5 FEBDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376626 559627248 /nfs/dbraw/zinc/62/72/48/559627248.db2.gz DWPILMOEKAKADS-DOMZBBRYSA-N 2 0 360.380 2.390 20 5 FEBDRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000423857756 559643116 /nfs/dbraw/zinc/64/31/16/559643116.db2.gz ZATYVQOMVQSAFP-UHFFFAOYSA-N 2 0 354.838 2.068 20 5 FEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449077598 560215113 /nfs/dbraw/zinc/21/51/13/560215113.db2.gz WBPVMTRVZBMNCT-MRXNPFEDSA-N 2 0 369.469 2.462 20 5 FEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595008958 673186079 /nfs/dbraw/zinc/18/60/79/673186079.db2.gz WSIHGHQSTBUHSH-HUUCEWRRSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000595015430 673186214 /nfs/dbraw/zinc/18/62/14/673186214.db2.gz DTXBWCCETQDWQB-ZBFHGGJFSA-N 2 0 351.447 2.491 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000595031720 673187751 /nfs/dbraw/zinc/18/77/51/673187751.db2.gz CBMXTMCEHJWUGG-CABCVRRESA-N 2 0 350.463 2.280 20 5 FEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000843367265 680999996 /nfs/dbraw/zinc/99/99/96/680999996.db2.gz CBZKBXBDCCNTSC-UXIGCNINSA-N 2 0 350.394 2.122 20 5 FEBDRP COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CC[NH+](C)CC1 ZINC000879123202 686746117 /nfs/dbraw/zinc/74/61/17/686746117.db2.gz SKVHNMVDNZJQDG-UHFFFAOYSA-N 2 0 351.447 2.394 20 5 FEBDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858742 541883105 /nfs/dbraw/zinc/88/31/05/541883105.db2.gz NKJMJJCDBPWUSB-AWEZNQCLSA-N 2 0 364.446 2.206 20 5 FEBDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000092820911 542888329 /nfs/dbraw/zinc/88/83/29/542888329.db2.gz CGOBYTNITDUXRF-UHFFFAOYSA-N 2 0 358.446 2.425 20 5 FEBDRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153674045 544806751 /nfs/dbraw/zinc/80/67/51/544806751.db2.gz DLZYZZWKQQRBMN-LSDHHAIUSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422637928 559599321 /nfs/dbraw/zinc/59/93/21/559599321.db2.gz PQXQOARPILXRTG-RDBSUJKOSA-N 2 0 364.446 2.237 20 5 FEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430595337 559824118 /nfs/dbraw/zinc/82/41/18/559824118.db2.gz XKUKWLZWJLQIKT-UHFFFAOYSA-N 2 0 364.446 2.062 20 5 FEBDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449197597 560219850 /nfs/dbraw/zinc/21/98/50/560219850.db2.gz WOPKJEKSEZRTOE-INIZCTEOSA-N 2 0 357.458 2.477 20 5 FEBDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000578997906 671704920 /nfs/dbraw/zinc/70/49/20/671704920.db2.gz LMIBRFFIMIOTHV-MRXNPFEDSA-N 2 0 351.447 2.046 20 5 FEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000843367262 680999978 /nfs/dbraw/zinc/99/99/78/680999978.db2.gz CBZKBXBDCCNTSC-CORIIIEPSA-N 2 0 350.394 2.122 20 5 FEBDRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382413 681000568 /nfs/dbraw/zinc/00/05/68/681000568.db2.gz OZYQFZCIETWLOK-KRWDZBQOSA-N 2 0 350.394 2.138 20 5 FEBDRP CCOc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000866012676 684060504 /nfs/dbraw/zinc/06/05/04/684060504.db2.gz NGVJHVOYCWRWBR-HUUCEWRRSA-N 2 0 350.463 2.169 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH+](C)C ZINC000877669261 686433247 /nfs/dbraw/zinc/43/32/47/686433247.db2.gz AGPVEITVJLTSAW-HUUCEWRRSA-N 2 0 354.882 2.419 20 5 FEBDRP CC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128836869 544075937 /nfs/dbraw/zinc/07/59/37/544075937.db2.gz IBERUXJBBWKDGB-ZDUSSCGKSA-N 2 0 352.410 2.336 20 5 FEBDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446411 548924377 /nfs/dbraw/zinc/92/43/77/548924377.db2.gz ZTZABZHEAQMNDO-WMLDXEAASA-N 2 0 360.458 2.146 20 5 FEBDRP NC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435963 549131952 /nfs/dbraw/zinc/13/19/52/549131952.db2.gz CUOKRCGSVSUBMZ-YOEHRIQHSA-N 2 0 358.442 2.142 20 5 FEBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323669 559480561 /nfs/dbraw/zinc/48/05/61/559480561.db2.gz GQAFXCFTOSLENP-LSDHHAIUSA-N 2 0 357.414 2.466 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420372441 559483661 /nfs/dbraw/zinc/48/36/61/559483661.db2.gz MHJVDRTXBICMOQ-SFHVURJKSA-N 2 0 362.430 2.008 20 5 FEBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423395982 559627764 /nfs/dbraw/zinc/62/77/64/559627764.db2.gz SVMBRHPIGKZTDO-HOTGVXAUSA-N 2 0 372.391 2.398 20 5 FEBDRP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507229 560232395 /nfs/dbraw/zinc/23/23/95/560232395.db2.gz STKNDOSUKRCZKN-GOSISDBHSA-N 2 0 374.485 2.361 20 5 FEBDRP COc1ccc(NC(=O)CC[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000533242644 562502630 /nfs/dbraw/zinc/50/26/30/562502630.db2.gz YIALQNKAPUBBCF-UHFFFAOYSA-N 2 0 364.446 2.206 20 5 FEBDRP COc1c(O)ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000894545605 689551346 /nfs/dbraw/zinc/55/13/46/689551346.db2.gz OJXOMGMPGPRKBP-UHFFFAOYSA-N 2 0 355.460 2.226 20 5 FEBDRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903066723 690840701 /nfs/dbraw/zinc/84/07/01/690840701.db2.gz OGTRSHYEKQIHQB-HNNXBMFYSA-N 2 0 350.463 2.282 20 5 FEBDRP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000128702892 544068011 /nfs/dbraw/zinc/06/80/11/544068011.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 2 0 352.410 2.336 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841620 326107259 /nfs/dbraw/zinc/10/72/59/326107259.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 2 0 364.446 2.206 20 5 FEBDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000177484649 327525786 /nfs/dbraw/zinc/52/57/86/327525786.db2.gz DDIXMTIFLQOEIN-HZPDHXFCSA-N 2 0 365.478 2.003 20 5 FEBDRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945395 547411224 /nfs/dbraw/zinc/41/12/24/547411224.db2.gz NJIULUTXVRFGTG-MRXNPFEDSA-N 2 0 351.447 2.141 20 5 FEBDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182324621 547474079 /nfs/dbraw/zinc/47/40/79/547474079.db2.gz WNONKVYACSIDFH-KRWDZBQOSA-N 2 0 365.474 2.388 20 5 FEBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000262196376 549797531 /nfs/dbraw/zinc/79/75/31/549797531.db2.gz ZIJKFBSUACHKQQ-HNNXBMFYSA-N 2 0 356.426 2.334 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000299435963 553562844 /nfs/dbraw/zinc/56/28/44/553562844.db2.gz STWRCNXDBFBYKB-UHFFFAOYSA-N 2 0 350.463 2.249 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000299712732 553605788 /nfs/dbraw/zinc/60/57/88/553605788.db2.gz JBDGDSMKGNMBGY-CQSZACIVSA-N 2 0 354.476 2.144 20 5 FEBDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000363536001 555130654 /nfs/dbraw/zinc/13/06/54/555130654.db2.gz XOFFTWPUKLWLSR-UHFFFAOYSA-N 2 0 372.473 2.068 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343931 555295401 /nfs/dbraw/zinc/29/54/01/555295401.db2.gz PULYLNSJLUHMLQ-AYOQOUSVSA-N 2 0 363.458 2.453 20 5 FEBDRP Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000530756669 562422974 /nfs/dbraw/zinc/42/29/74/562422974.db2.gz XKNCFFCITGTLDJ-OAHLLOKOSA-N 2 0 365.478 2.099 20 5 FEBDRP C[C@H](CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873493 675070842 /nfs/dbraw/zinc/07/08/42/675070842.db2.gz OZPIQRXHWTZCTQ-NVXWUHKLSA-N 2 0 351.447 2.189 20 5 FEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579823243 671762786 /nfs/dbraw/zinc/76/27/86/671762786.db2.gz KLNRDGMSRHKHOQ-OWCLPIDISA-N 2 0 353.467 2.221 20 5 FEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000843367264 680999949 /nfs/dbraw/zinc/99/99/49/680999949.db2.gz CBZKBXBDCCNTSC-OSAQELSMSA-N 2 0 350.394 2.122 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000866226477 684084531 /nfs/dbraw/zinc/08/45/31/684084531.db2.gz LLFJMLIOHHZTJP-AWEZNQCLSA-N 2 0 352.454 2.281 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000866279425 684087696 /nfs/dbraw/zinc/08/76/96/684087696.db2.gz SMZXHDLLAHJKTM-CQSZACIVSA-N 2 0 352.454 2.281 20 5 FEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000903956714 690989627 /nfs/dbraw/zinc/98/96/27/690989627.db2.gz NEIMSCZZHIDDND-ZDUSSCGKSA-N 2 0 354.401 2.398 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859643 544130024 /nfs/dbraw/zinc/13/00/24/544130024.db2.gz SATKEUNXTKXCFG-KRWDZBQOSA-N 2 0 363.462 2.475 20 5 FEBDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000123862099 326443652 /nfs/dbraw/zinc/44/36/52/326443652.db2.gz FXGBYSHUNDQJEV-UHFFFAOYSA-N 2 0 356.426 2.176 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277168789 550639497 /nfs/dbraw/zinc/63/94/97/550639497.db2.gz KOSPBPVKZHCRFC-AWEZNQCLSA-N 2 0 364.446 2.348 20 5 FEBDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293899021 552866361 /nfs/dbraw/zinc/86/63/61/552866361.db2.gz WIZOBMHJBMNPGT-AWEZNQCLSA-N 2 0 370.457 2.175 20 5 FEBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512561010 561909067 /nfs/dbraw/zinc/90/90/67/561909067.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 2 0 374.441 2.450 20 5 FEBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969420 559198042 /nfs/dbraw/zinc/19/80/42/559198042.db2.gz GPJDEBPWNZBCJA-BBRMVZONSA-N 2 0 374.407 2.342 20 5 FEBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323667 559480584 /nfs/dbraw/zinc/48/05/84/559480584.db2.gz GQAFXCFTOSLENP-GJZGRUSLSA-N 2 0 357.414 2.466 20 5 FEBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CC[NH2+]CC1 ZINC000423174874 559621989 /nfs/dbraw/zinc/62/19/89/559621989.db2.gz CMHPBLOLTBHHRI-HNNXBMFYSA-N 2 0 352.504 2.350 20 5 FEBDRP O=C1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000423458095 559629568 /nfs/dbraw/zinc/62/95/68/559629568.db2.gz PQSOZZIQXLCSAL-NSHGMRRFSA-N 2 0 372.469 2.209 20 5 FEBDRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000423722641 559637165 /nfs/dbraw/zinc/63/71/65/559637165.db2.gz KIIJWNAMFIPCKP-UHFFFAOYSA-N 2 0 360.458 2.289 20 5 FEBDRP CC(C)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000527387235 562287427 /nfs/dbraw/zinc/28/74/27/562287427.db2.gz ZTYDUYPWVMNGDT-UHFFFAOYSA-N 2 0 350.463 2.284 20 5 FEBDRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543756 560164084 /nfs/dbraw/zinc/16/40/84/560164084.db2.gz SCGVKJDQYHTJHH-IAGOWNOFSA-N 2 0 365.478 2.366 20 5 FEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635756 560934552 /nfs/dbraw/zinc/93/45/52/560934552.db2.gz STFNGBWQBIIXGY-JBXOJTMHSA-N 2 0 360.458 2.175 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000595009499 673185906 /nfs/dbraw/zinc/18/59/06/673185906.db2.gz ZUJSRAPGFCKWDM-CQSZACIVSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000595011603 673185934 /nfs/dbraw/zinc/18/59/34/673185934.db2.gz IQFISPTWWJIWTM-AWEZNQCLSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000595012003 673186413 /nfs/dbraw/zinc/18/64/13/673186413.db2.gz MOBSKWXZMCHRNE-CABCVRRESA-N 2 0 350.463 2.138 20 5 FEBDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385731 683712125 /nfs/dbraw/zinc/71/21/25/683712125.db2.gz ABVYJRXAVOJQGC-BDXSIMOUSA-N 2 0 351.422 2.303 20 5 FEBDRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787017 543339406 /nfs/dbraw/zinc/33/94/06/543339406.db2.gz LOPWBJQUTLKVKB-QGZVFWFLSA-N 2 0 351.447 2.141 20 5 FEBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000183647543 327828348 /nfs/dbraw/zinc/82/83/48/327828348.db2.gz OGBAMULCXUGQGM-UHFFFAOYSA-N 2 0 370.453 2.484 20 5 FEBDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917384 327294366 /nfs/dbraw/zinc/29/43/66/327294366.db2.gz OIZHCMDILBGMCO-CQSZACIVSA-N 2 0 364.446 2.206 20 5 FEBDRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747603 562097020 /nfs/dbraw/zinc/09/70/20/562097020.db2.gz ZBQNFMJQBCEQPE-HOTGVXAUSA-N 2 0 371.441 2.227 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000374730618 557922416 /nfs/dbraw/zinc/92/24/16/557922416.db2.gz YSSREJVBAWGQLX-HNNXBMFYSA-N 2 0 360.458 2.203 20 5 FEBDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000521426647 562176019 /nfs/dbraw/zinc/17/60/19/562176019.db2.gz KWWJGUUESXQPPK-QGZVFWFLSA-N 2 0 351.447 2.045 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420320199 559480015 /nfs/dbraw/zinc/48/00/15/559480015.db2.gz YNNPPHZCWYBBIU-CYBMUJFWSA-N 2 0 350.419 2.006 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000420321009 559480375 /nfs/dbraw/zinc/48/03/75/559480375.db2.gz VAXWQVSIUPINQX-CYBMUJFWSA-N 2 0 350.419 2.135 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373771 559483680 /nfs/dbraw/zinc/48/36/80/559483680.db2.gz NFQHHVKBUDMFNZ-GOSISDBHSA-N 2 0 362.430 2.008 20 5 FEBDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422950199 559612652 /nfs/dbraw/zinc/61/26/52/559612652.db2.gz XICPYPNTNGJPPM-CYBMUJFWSA-N 2 0 365.430 2.014 20 5 FEBDRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448710216 560195730 /nfs/dbraw/zinc/19/57/30/560195730.db2.gz SSHRDCYLWPMAGX-LSDHHAIUSA-N 2 0 355.398 2.137 20 5 FEBDRP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496145 560231842 /nfs/dbraw/zinc/23/18/42/560231842.db2.gz ISVMFBBNSHCFMM-IBGZPJMESA-N 2 0 374.485 2.361 20 5 FEBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594314 675134909 /nfs/dbraw/zinc/13/49/09/675134909.db2.gz UFRYLSHVHGMFSE-JKSUJKDBSA-N 2 0 351.447 2.046 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457791 671370180 /nfs/dbraw/zinc/37/01/80/671370180.db2.gz RNUJHHIMANIWSI-RDJZCZTQSA-N 2 0 351.447 2.045 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000595031721 673187915 /nfs/dbraw/zinc/18/79/15/673187915.db2.gz CBMXTMCEHJWUGG-GJZGRUSLSA-N 2 0 350.463 2.280 20 5 FEBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593663 681412674 /nfs/dbraw/zinc/41/26/74/681412674.db2.gz YZTIRSQBGNTPRU-ROUUACIJSA-N 2 0 351.447 2.061 20 5 FEBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000866259419 684086742 /nfs/dbraw/zinc/08/67/42/684086742.db2.gz BCTQCJBDNQTZSA-OAHLLOKOSA-N 2 0 352.454 2.282 20 5 FEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777347 684584647 /nfs/dbraw/zinc/58/46/47/684584647.db2.gz DMHYQUUUFKQGQE-NEPJUHHUSA-N 2 0 356.373 2.146 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150813161 544474771 /nfs/dbraw/zinc/47/47/71/544474771.db2.gz YSXLJDNXOJCIHE-HNNXBMFYSA-N 2 0 374.441 2.311 20 5 FEBDRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153616109 326737898 /nfs/dbraw/zinc/73/78/98/326737898.db2.gz LGNMSZVURGRBCK-GJZGRUSLSA-N 2 0 350.463 2.280 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273513545 329870585 /nfs/dbraw/zinc/87/05/85/329870585.db2.gz XFVWQBTYAZJMMR-UHFFFAOYSA-N 2 0 369.441 2.471 20 5 FEBDRP O=[N+]([O-])c1cnn(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605569 551781689 /nfs/dbraw/zinc/78/16/89/551781689.db2.gz PUNVYBFHVBGXAB-IBGZPJMESA-N 2 0 355.442 2.389 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257248 555065712 /nfs/dbraw/zinc/06/57/12/555065712.db2.gz VKYCAOMEBNFTOY-JLSDUUJJSA-N 2 0 358.442 2.340 20 5 FEBDRP CC[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514855914 561983564 /nfs/dbraw/zinc/98/35/64/561983564.db2.gz GCXUUPUHUOOIOV-UHFFFAOYSA-N 2 0 369.487 2.080 20 5 FEBDRP Cc1ncc(CN2CC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H](C)C2)s1 ZINC000368950712 556457213 /nfs/dbraw/zinc/45/72/13/556457213.db2.gz NHIKERCZSAVXRM-DOMZBBRYSA-N 2 0 364.475 2.056 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963292 556743121 /nfs/dbraw/zinc/74/31/21/556743121.db2.gz QGIRYRHXGJEYLU-FDPIWHGQSA-N 2 0 363.458 2.107 20 5 FEBDRP COC(=O)COc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414807348 559188823 /nfs/dbraw/zinc/18/88/23/559188823.db2.gz CRYBURGFPJIMNF-ZDUSSCGKSA-N 2 0 373.409 2.456 20 5 FEBDRP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420364449 559483354 /nfs/dbraw/zinc/48/33/54/559483354.db2.gz CWQLSIJJXIGVKQ-HNNXBMFYSA-N 2 0 372.473 2.373 20 5 FEBDRP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000421767320 559552567 /nfs/dbraw/zinc/55/25/67/559552567.db2.gz ALWIDWLOFBGKMU-UHFFFAOYSA-N 2 0 362.474 2.310 20 5 FEBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430539448 559821907 /nfs/dbraw/zinc/82/19/07/559821907.db2.gz DZIZOZLIDGRMGN-UHFFFAOYSA-N 2 0 364.446 2.254 20 5 FEBDRP CCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC[NH2+]CC1 ZINC000431070112 559833274 /nfs/dbraw/zinc/83/32/74/559833274.db2.gz XPEQHQACGZVVGD-UHFFFAOYSA-N 2 0 362.430 2.357 20 5 FEBDRP COc1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371825 559921726 /nfs/dbraw/zinc/92/17/26/559921726.db2.gz OYZQDGRCPYMEHW-CMPLNLGQSA-N 2 0 359.373 2.416 20 5 FEBDRP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448710773 560195896 /nfs/dbraw/zinc/19/58/96/560195896.db2.gz VBCNGHVDEOFPNO-CQSZACIVSA-N 2 0 357.414 2.242 20 5 FEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000449104444 560216301 /nfs/dbraw/zinc/21/63/01/560216301.db2.gz FQZLSXBGYVHYFW-MRXNPFEDSA-N 2 0 369.469 2.462 20 5 FEBDRP CCOc1ccc(NC(=O)CN2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309285 562531098 /nfs/dbraw/zinc/53/10/98/562531098.db2.gz XSZBQGYRUSZDGS-ZDUSSCGKSA-N 2 0 373.413 2.155 20 5 FEBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751090 568175277 /nfs/dbraw/zinc/17/52/77/568175277.db2.gz XRVQJSBCBPCPCP-IRXDYDNUSA-N 2 0 365.474 2.292 20 5 FEBDRP CC1(C)CC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000560263090 674573832 /nfs/dbraw/zinc/57/38/32/674573832.db2.gz WJCMWFXDLNDQNW-CQSZACIVSA-N 2 0 351.447 2.233 20 5 FEBDRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000567687478 675312497 /nfs/dbraw/zinc/31/24/97/675312497.db2.gz LULDYJPGGQGWJQ-GPANFISMSA-N 2 0 351.447 2.045 20 5 FEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233138 684085001 /nfs/dbraw/zinc/08/50/01/684085001.db2.gz RPKDUBIQSZRFIT-LSDHHAIUSA-N 2 0 352.454 2.281 20 5 FEBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903067327 690840722 /nfs/dbraw/zinc/84/07/22/690840722.db2.gz RICMJANXRCHJLN-OAHLLOKOSA-N 2 0 350.463 2.282 20 5 FEBDRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903154497 690857015 /nfs/dbraw/zinc/85/70/15/690857015.db2.gz ZHZFGNIIUMNSES-LSDHHAIUSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903154494 690857193 /nfs/dbraw/zinc/85/71/93/690857193.db2.gz ZHZFGNIIUMNSES-CABCVRRESA-N 2 0 350.463 2.280 20 5 FEBDRP Cc1c(NC(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000125238922 543869634 /nfs/dbraw/zinc/86/96/34/543869634.db2.gz WJVHYKOZUFSCSM-UHFFFAOYSA-N 2 0 369.425 2.449 20 5 FEBDRP CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000280791213 551032772 /nfs/dbraw/zinc/03/27/72/551032772.db2.gz UOZRFKZSRRVBOJ-UHFFFAOYSA-N 2 0 373.461 2.139 20 5 FEBDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293899040 552866376 /nfs/dbraw/zinc/86/63/76/552866376.db2.gz WIZOBMHJBMNPGT-CQSZACIVSA-N 2 0 370.457 2.175 20 5 FEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000366650228 555899055 /nfs/dbraw/zinc/89/90/55/555899055.db2.gz FBDBZEGIUPDYHB-IBGZPJMESA-N 2 0 363.458 2.063 20 5 FEBDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366864547 555954670 /nfs/dbraw/zinc/95/46/70/555954670.db2.gz KUGZQXAQJXOEFK-INIZCTEOSA-N 2 0 363.458 2.142 20 5 FEBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969422 559197876 /nfs/dbraw/zinc/19/78/76/559197876.db2.gz GPJDEBPWNZBCJA-CZUORRHYSA-N 2 0 374.407 2.342 20 5 FEBDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572903584 671058071 /nfs/dbraw/zinc/05/80/71/671058071.db2.gz WFSNUPGIESHQIV-MRXNPFEDSA-N 2 0 351.447 2.187 20 5 FEBDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573597013 671141313 /nfs/dbraw/zinc/14/13/13/671141313.db2.gz VRMRXIBBLBWAMQ-QGZVFWFLSA-N 2 0 351.447 2.046 20 5 FEBDRP CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000584834942 672220262 /nfs/dbraw/zinc/22/02/62/672220262.db2.gz KBILTUCKXZHAHJ-OAHLLOKOSA-N 2 0 351.447 2.046 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000595006657 673185574 /nfs/dbraw/zinc/18/55/74/673185574.db2.gz HVMOIOYOOJWPNF-HNNXBMFYSA-N 2 0 350.463 2.282 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000595039188 673188572 /nfs/dbraw/zinc/18/85/72/673188572.db2.gz OAVXPVQDYNPRGF-AWEZNQCLSA-N 2 0 350.463 2.280 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870025291 684675831 /nfs/dbraw/zinc/67/58/31/684675831.db2.gz PWPXUJLILXXGIM-CHWSQXEVSA-N 2 0 368.865 2.060 20 5 FEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000903956713 690989647 /nfs/dbraw/zinc/98/96/47/690989647.db2.gz NEIMSCZZHIDDND-CYBMUJFWSA-N 2 0 354.401 2.398 20 5 FEBDRP C[C@H]1C[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000123413249 543760173 /nfs/dbraw/zinc/76/01/73/543760173.db2.gz IWFKMVXIJRMIIP-UONOGXRCSA-N 2 0 362.430 2.307 20 5 FEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000154391005 544899476 /nfs/dbraw/zinc/89/94/76/544899476.db2.gz WKRBFFZYTBUODL-LJQANCHMSA-N 2 0 363.458 2.205 20 5 FEBDRP NC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435953 549132501 /nfs/dbraw/zinc/13/25/01/549132501.db2.gz CUOKRCGSVSUBMZ-WMLDXEAASA-N 2 0 358.442 2.142 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659164 555157956 /nfs/dbraw/zinc/15/79/56/555157956.db2.gz GKZHKNRVBBTOIF-HLLBOEOZSA-N 2 0 358.442 2.340 20 5 FEBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794937 555669021 /nfs/dbraw/zinc/66/90/21/555669021.db2.gz LWQJQTXLYHQWLB-CZUORRHYSA-N 2 0 364.402 2.094 20 5 FEBDRP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378435632 558556546 /nfs/dbraw/zinc/55/65/46/558556546.db2.gz UVVUMPQSTXOTAA-GOSISDBHSA-N 2 0 362.474 2.074 20 5 FEBDRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048206 559202289 /nfs/dbraw/zinc/20/22/89/559202289.db2.gz WQOCHTOEBUCDPD-JQWIXIFHSA-N 2 0 359.373 2.464 20 5 FEBDRP O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435694578 559928409 /nfs/dbraw/zinc/92/84/09/559928409.db2.gz MATSUSYMYMAKJZ-MRXNPFEDSA-N 2 0 361.471 2.497 20 5 FEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000451982851 560342247 /nfs/dbraw/zinc/34/22/47/560342247.db2.gz KFBQJBCPSDDNHN-UHFFFAOYSA-N 2 0 350.463 2.109 20 5 FEBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596655918 673401564 /nfs/dbraw/zinc/40/15/64/673401564.db2.gz ZQDYBNYMFKQHMC-LLVKDONJSA-N 2 0 363.443 2.210 20 5 FEBDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567710356 675315069 /nfs/dbraw/zinc/31/50/69/675315069.db2.gz JQOPFDKNKAOVLM-HNNXBMFYSA-N 2 0 351.447 2.046 20 5 FEBDRP Cc1cc(Cl)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000826100700 675682088 /nfs/dbraw/zinc/68/20/88/675682088.db2.gz LMKYCWGVEABWFP-UHFFFAOYSA-N 2 0 356.854 2.122 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000895699039 689756500 /nfs/dbraw/zinc/75/65/00/689756500.db2.gz KEPRWGBZWOKHKE-HUUCEWRRSA-N 2 0 354.882 2.419 20 5 FEBDRP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895741016 689764143 /nfs/dbraw/zinc/76/41/43/689764143.db2.gz WQAQXOJQHRRWFT-WHOHXGKFSA-N 2 0 354.480 2.060 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842463 326107128 /nfs/dbraw/zinc/10/71/28/326107128.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 2 0 364.446 2.206 20 5 FEBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013472 548240703 /nfs/dbraw/zinc/24/07/03/548240703.db2.gz MRHDLUHMLFHKQE-LZQZEXGQSA-N 2 0 365.474 2.355 20 5 FEBDRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000299431408 553562027 /nfs/dbraw/zinc/56/20/27/553562027.db2.gz OTDUSBAOJLSGIU-UHFFFAOYSA-N 2 0 350.463 2.249 20 5 FEBDRP C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000458157561 560605896 /nfs/dbraw/zinc/60/58/96/560605896.db2.gz CQCRGCKTXWWZHV-CQSZACIVSA-N 2 0 357.414 2.242 20 5 FEBDRP O=C(NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000469848367 560966490 /nfs/dbraw/zinc/96/64/90/560966490.db2.gz IZSGVUVLBMAMAK-QMMRJVTOSA-N 2 0 372.469 2.188 20 5 FEBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000470020850 560972375 /nfs/dbraw/zinc/97/23/75/560972375.db2.gz MLLNNGARLYCQIB-CQSZACIVSA-N 2 0 372.425 2.142 20 5 FEBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866230879 684085017 /nfs/dbraw/zinc/08/50/17/684085017.db2.gz HDPLQSGNRXSARM-HNNXBMFYSA-N 2 0 352.454 2.282 20 5 FEBDRP COc1cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903067683 690840571 /nfs/dbraw/zinc/84/05/71/690840571.db2.gz VGLQUVWGYDSFKQ-AWEZNQCLSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903064894 690840882 /nfs/dbraw/zinc/84/08/82/690840882.db2.gz AYLPYEIFXJUMIW-AWEZNQCLSA-N 2 0 350.463 2.280 20 5 FEBDRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000127961183 544024580 /nfs/dbraw/zinc/02/45/80/544024580.db2.gz YTMPGJXPEXHOJL-ZWKOTPCHSA-N 2 0 374.485 2.093 20 5 FEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839572 544404872 /nfs/dbraw/zinc/40/48/72/544404872.db2.gz HQUGYORKNNLVMW-ZBFHGGJFSA-N 2 0 374.441 2.309 20 5 FEBDRP C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CC[NH+](C)CC1 ZINC000120812212 326290347 /nfs/dbraw/zinc/29/03/47/326290347.db2.gz ULSGRODLUNVEJF-QFBILLFUSA-N 2 0 360.502 2.389 20 5 FEBDRP C[C@H]1C[NH+](CCC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000177484635 546629200 /nfs/dbraw/zinc/62/92/00/546629200.db2.gz DDIXMTIFLQOEIN-HOTGVXAUSA-N 2 0 365.478 2.003 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000181061236 547241666 /nfs/dbraw/zinc/24/16/66/547241666.db2.gz FTOSFTHOSPWYSY-UHFFFAOYSA-N 2 0 361.402 2.151 20 5 FEBDRP O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000362889389 554996403 /nfs/dbraw/zinc/99/64/03/554996403.db2.gz IJLROMNUSUJOCD-UHFFFAOYSA-N 2 0 369.425 2.481 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963293 556743080 /nfs/dbraw/zinc/74/30/80/556743080.db2.gz QGIRYRHXGJEYLU-GRGSLBFTSA-N 2 0 363.458 2.107 20 5 FEBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969423 559198013 /nfs/dbraw/zinc/19/80/13/559198013.db2.gz GPJDEBPWNZBCJA-XJKSGUPXSA-N 2 0 374.407 2.342 20 5 FEBDRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420340261 559481981 /nfs/dbraw/zinc/48/19/81/559481981.db2.gz ZTVYTDKBQBPYDX-RVKKMQEKSA-N 2 0 358.442 2.022 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422626313 559598522 /nfs/dbraw/zinc/59/85/22/559598522.db2.gz DTFKPBHJMDBYTN-IHRRRGAJSA-N 2 0 364.446 2.237 20 5 FEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000449341900 560225902 /nfs/dbraw/zinc/22/59/02/560225902.db2.gz XHKRZCWZQHKCFI-MRXNPFEDSA-N 2 0 362.474 2.108 20 5 FEBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751089 568175267 /nfs/dbraw/zinc/17/52/67/568175267.db2.gz XRVQJSBCBPCPCP-IAGOWNOFSA-N 2 0 365.474 2.292 20 5 FEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579823244 671762985 /nfs/dbraw/zinc/76/29/85/671762985.db2.gz KLNRDGMSRHKHOQ-PMPSAXMXSA-N 2 0 353.467 2.221 20 5 FEBDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000582058024 671963137 /nfs/dbraw/zinc/96/31/37/671963137.db2.gz MRSLKUNDNMALEY-MRXNPFEDSA-N 2 0 351.447 2.189 20 5 FEBDRP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261985333 672907065 /nfs/dbraw/zinc/90/70/65/672907065.db2.gz JSAIKZUHRNRIQK-CYBMUJFWSA-N 2 0 354.838 2.068 20 5 FEBDRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787013 543338977 /nfs/dbraw/zinc/33/89/77/543338977.db2.gz LOPWBJQUTLKVKB-KRWDZBQOSA-N 2 0 351.447 2.141 20 5 FEBDRP CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128837117 544076221 /nfs/dbraw/zinc/07/62/21/544076221.db2.gz IBERUXJBBWKDGB-CYBMUJFWSA-N 2 0 352.410 2.336 20 5 FEBDRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CC[NH+](C)CC1 ZINC000120811900 326290264 /nfs/dbraw/zinc/29/02/64/326290264.db2.gz ULSGRODLUNVEJF-LPHOPBHVSA-N 2 0 360.502 2.389 20 5 FEBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153616010 326737902 /nfs/dbraw/zinc/73/79/02/326737902.db2.gz LGNMSZVURGRBCK-LSDHHAIUSA-N 2 0 350.463 2.280 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481048081 561223733 /nfs/dbraw/zinc/22/37/33/561223733.db2.gz CDESABGHNMAOMQ-UHFFFAOYSA-N 2 0 364.446 2.206 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281202122 551073567 /nfs/dbraw/zinc/07/35/67/551073567.db2.gz COFVDBMDEGYXHY-UHFFFAOYSA-N 2 0 364.446 2.350 20 5 FEBDRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362305373 554962019 /nfs/dbraw/zinc/96/20/19/554962019.db2.gz KTMNGJJOZFJWCR-GOSISDBHSA-N 2 0 363.458 2.063 20 5 FEBDRP CN1CC[NH+](CC2(C)CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000375232585 557995932 /nfs/dbraw/zinc/99/59/32/557995932.db2.gz CHCOCZKSQLINFG-UHFFFAOYSA-N 2 0 360.502 2.487 20 5 FEBDRP C[C@H]1CC2(C[N@@H+]1CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC[NH2+]CC2 ZINC000424301643 559661065 /nfs/dbraw/zinc/66/10/65/559661065.db2.gz XXOLTGDDVCIMNB-AWEZNQCLSA-N 2 0 374.441 2.357 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000595015429 673186454 /nfs/dbraw/zinc/18/64/54/673186454.db2.gz DTXBWCCETQDWQB-HOCLYGCPSA-N 2 0 351.447 2.491 20 5 FEBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000846224225 681203903 /nfs/dbraw/zinc/20/39/03/681203903.db2.gz HTTWVBXPIVQUDD-SJCJKPOMSA-N 2 0 350.394 2.123 20 5 FEBDRP COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879123916 686746076 /nfs/dbraw/zinc/74/60/76/686746076.db2.gz LYFCTZUNHASYDS-UHFFFAOYSA-N 2 0 351.447 2.264 20 5 FEBDRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000047977367 540338244 /nfs/dbraw/zinc/33/82/44/540338244.db2.gz JQHNIKNBSFLOES-SFHVURJKSA-N 2 0 365.474 2.388 20 5 FEBDRP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000056494554 540729839 /nfs/dbraw/zinc/72/98/39/540729839.db2.gz QTRCEVBZWRWQFH-UHFFFAOYSA-N 2 0 363.458 2.408 20 5 FEBDRP O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000159806121 545981836 /nfs/dbraw/zinc/98/18/36/545981836.db2.gz HUAHMCMYZBRFFL-KRWDZBQOSA-N 2 0 362.474 2.345 20 5 FEBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000262196379 549797854 /nfs/dbraw/zinc/79/78/54/549797854.db2.gz ZIJKFBSUACHKQQ-OAHLLOKOSA-N 2 0 356.426 2.334 20 5 FEBDRP C[N@@H+]1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1(C)C ZINC000282475001 551234395 /nfs/dbraw/zinc/23/43/95/551234395.db2.gz UZHJYIDNLHSDNH-UHFFFAOYSA-N 2 0 372.416 2.312 20 5 FEBDRP CCc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938054 556735449 /nfs/dbraw/zinc/73/54/49/556735449.db2.gz SISOFRXTGUCEQQ-MRXNPFEDSA-N 2 0 360.458 2.056 20 5 FEBDRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414195744 559152457 /nfs/dbraw/zinc/15/24/57/559152457.db2.gz OISOEBRETSCZFN-MRXNPFEDSA-N 2 0 362.474 2.042 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420292292 559479064 /nfs/dbraw/zinc/47/90/64/559479064.db2.gz LQAXRGCEBKRQDZ-JKSUJKDBSA-N 2 0 360.458 2.108 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402124 559485741 /nfs/dbraw/zinc/48/57/41/559485741.db2.gz QGGKEEZZYOLKRN-HOCLYGCPSA-N 2 0 374.441 2.357 20 5 FEBDRP Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423470709 559629894 /nfs/dbraw/zinc/62/98/94/559629894.db2.gz ZGJGUBGYWLPYLK-CRFBAAHOSA-N 2 0 360.458 2.201 20 5 FEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635754 560934538 /nfs/dbraw/zinc/93/45/38/560934538.db2.gz STFNGBWQBIIXGY-GSPCDJLXSA-N 2 0 360.458 2.175 20 5 FEBDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581424974 671895317 /nfs/dbraw/zinc/89/53/17/671895317.db2.gz QLHRBFVRPIZKTB-KRWDZBQOSA-N 2 0 351.447 2.189 20 5 FEBDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000584108734 672156333 /nfs/dbraw/zinc/15/63/33/672156333.db2.gz QQUSRRJKESEJEW-QGZVFWFLSA-N 2 0 351.447 2.046 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903066724 690840732 /nfs/dbraw/zinc/84/07/32/690840732.db2.gz OGTRSHYEKQIHQB-OAHLLOKOSA-N 2 0 350.463 2.282 20 5 FEBDRP O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)nc1NCC[NH+]1CC=CCC1 ZINC000530377782 539956585 /nfs/dbraw/zinc/95/65/85/539956585.db2.gz NYYYYMOHKJKQDW-UHFFFAOYSA-N 2 0 372.473 2.337 20 5 FEBDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076893934 542328405 /nfs/dbraw/zinc/32/84/05/542328405.db2.gz MAEMBZGPYRSMFJ-UHFFFAOYSA-N 2 0 356.426 2.176 20 5 FEBDRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707676 /nfs/dbraw/zinc/70/76/76/552707676.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 2 0 350.394 2.090 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518802262 562118915 /nfs/dbraw/zinc/11/89/15/562118915.db2.gz VAXOFPODWSECGL-INIZCTEOSA-N 2 0 366.437 2.222 20 5 FEBDRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403129 559627913 /nfs/dbraw/zinc/62/79/13/559627913.db2.gz YUTORMSCKJDLCR-HUUCEWRRSA-N 2 0 360.380 2.472 20 5 FEBDRP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)sc2[N+](=O)[O-])CC[NH+]1C ZINC000895741014 689764322 /nfs/dbraw/zinc/76/43/22/689764322.db2.gz WQAQXOJQHRRWFT-DDHJBXDOSA-N 2 0 354.480 2.060 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000125591558 543890757 /nfs/dbraw/zinc/89/07/57/543890757.db2.gz VATZQNFRJKGQME-KRWDZBQOSA-N 2 0 362.474 2.391 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000128982959 544084272 /nfs/dbraw/zinc/08/42/72/544084272.db2.gz XAIJEUDWOUIKGY-QGZVFWFLSA-N 2 0 362.474 2.391 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519200 561552726 /nfs/dbraw/zinc/55/27/26/561552726.db2.gz GIVODQFWDFMNCG-KRWDZBQOSA-N 2 0 362.474 2.012 20 5 FEBDRP Cc1ncc(CN2CC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H](C)C2)s1 ZINC000368950715 556456907 /nfs/dbraw/zinc/45/69/07/556456907.db2.gz NHIKERCZSAVXRM-IUODEOHRSA-N 2 0 364.475 2.056 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000374730620 557922311 /nfs/dbraw/zinc/92/23/11/557922311.db2.gz YSSREJVBAWGQLX-OAHLLOKOSA-N 2 0 360.458 2.203 20 5 FEBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414991019 559199290 /nfs/dbraw/zinc/19/92/90/559199290.db2.gz PWBLKECAQGHLHP-ZTQAJYAQSA-N 2 0 374.485 2.152 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402122 559485837 /nfs/dbraw/zinc/48/58/37/559485837.db2.gz QGGKEEZZYOLKRN-GDBMZVCRSA-N 2 0 374.441 2.357 20 5 FEBDRP Cc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000440666730 560015846 /nfs/dbraw/zinc/01/58/46/560015846.db2.gz DDMGZHOUWSPNNA-UHFFFAOYSA-N 2 0 357.458 2.311 20 5 FEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457788 671370095 /nfs/dbraw/zinc/37/00/95/671370095.db2.gz RNUJHHIMANIWSI-NVXWUHKLSA-N 2 0 351.447 2.045 20 5 FEBDRP CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000578187149 671646855 /nfs/dbraw/zinc/64/68/55/671646855.db2.gz RDRYOEKKNLIOGX-INIZCTEOSA-N 2 0 351.447 2.046 20 5 FEBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071734 680099282 /nfs/dbraw/zinc/09/92/82/680099282.db2.gz LCTOLWDCQKFBIY-QZTJIDSGSA-N 2 0 351.447 2.061 20 5 FEBDRP Cn1ccnc1C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786123 543782827 /nfs/dbraw/zinc/78/28/27/543782827.db2.gz OUZBMYKBIOBJFM-AWEZNQCLSA-N 2 0 357.414 2.222 20 5 FEBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000181556248 547335379 /nfs/dbraw/zinc/33/53/79/547335379.db2.gz NTZLWEPNKIBZSU-QGZVFWFLSA-N 2 0 363.458 2.142 20 5 FEBDRP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000262064154 549785264 /nfs/dbraw/zinc/78/52/64/549785264.db2.gz ATIUSKMEYPQHOG-KRWDZBQOSA-N 2 0 356.426 2.334 20 5 FEBDRP Cc1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000609669807 554409262 /nfs/dbraw/zinc/40/92/62/554409262.db2.gz IDIWMNUNOUGQCC-UHFFFAOYSA-N 2 0 356.430 2.317 20 5 FEBDRP COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]CC1 ZINC000414969077 559197898 /nfs/dbraw/zinc/19/78/98/559197898.db2.gz GLZVZFQXHNIMGQ-UHFFFAOYSA-N 2 0 359.373 2.302 20 5 FEBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000866261907 684087334 /nfs/dbraw/zinc/08/73/34/684087334.db2.gz ATOYQENTNXYNGO-YOEHRIQHSA-N 2 0 353.438 2.491 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842459 326107593 /nfs/dbraw/zinc/10/75/93/326107593.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 2 0 364.446 2.206 20 5 FEBDRP CC[NH+]1CCN([C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237938 327188955 /nfs/dbraw/zinc/18/89/55/327188955.db2.gz DFHYBUMFEPIALA-MRXNPFEDSA-N 2 0 352.866 2.460 20 5 FEBDRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000180942066 547216181 /nfs/dbraw/zinc/21/61/81/547216181.db2.gz IMLFVAHUGVGKRO-UHFFFAOYSA-N 2 0 361.446 2.194 20 5 FEBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000262163313 549794095 /nfs/dbraw/zinc/79/40/95/549794095.db2.gz SZQJNERYAVXCOA-KRWDZBQOSA-N 2 0 356.426 2.334 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000508460179 561762744 /nfs/dbraw/zinc/76/27/44/561762744.db2.gz XSVLUCGRRFMOTE-SFHVURJKSA-N 2 0 362.474 2.012 20 5 FEBDRP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257247 555065679 /nfs/dbraw/zinc/06/56/79/555065679.db2.gz VKYCAOMEBNFTOY-FHLIZLRMSA-N 2 0 358.442 2.340 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345259 555295277 /nfs/dbraw/zinc/29/52/77/555295277.db2.gz UYCJBFPHVHGMHM-BRWVUGGUSA-N 2 0 363.458 2.453 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422626314 559598536 /nfs/dbraw/zinc/59/85/36/559598536.db2.gz DTFKPBHJMDBYTN-MCIONIFRSA-N 2 0 364.446 2.237 20 5 FEBDRP [NH3+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000424040430 559652272 /nfs/dbraw/zinc/65/22/72/559652272.db2.gz QLZHXWNCTYRSKM-UHFFFAOYSA-N 2 0 368.437 2.318 20 5 FEBDRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000866260838 684086788 /nfs/dbraw/zinc/08/67/88/684086788.db2.gz YBZVVBIZSOGPDW-CABCVRRESA-N 2 0 352.454 2.138 20 5 FEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000872228231 684929620 /nfs/dbraw/zinc/92/96/20/684929620.db2.gz GINCWWXSZFXOGJ-HQVVEAJESA-N 2 0 351.447 2.187 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089581044 542764505 /nfs/dbraw/zinc/76/45/05/542764505.db2.gz BQAIAINRVYLVCO-MNEFBYGVSA-N 2 0 363.458 2.453 20 5 FEBDRP CN(c1ccccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000151274873 544523718 /nfs/dbraw/zinc/52/37/18/544523718.db2.gz DTYSURLLPGJZPY-UHFFFAOYSA-N 2 0 372.473 2.112 20 5 FEBDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917369 327294166 /nfs/dbraw/zinc/29/41/66/327294166.db2.gz OIZHCMDILBGMCO-AWEZNQCLSA-N 2 0 364.446 2.206 20 5 FEBDRP COc1cc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098631 561403296 /nfs/dbraw/zinc/40/32/96/561403296.db2.gz OIRQDEMFIMQROK-KRWDZBQOSA-N 2 0 362.474 2.205 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099219 554903969 /nfs/dbraw/zinc/90/39/69/554903969.db2.gz BQAIAINRVYLVCO-ATZDWAIDSA-N 2 0 363.458 2.453 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420317550 559480167 /nfs/dbraw/zinc/48/01/67/559480167.db2.gz VBRMXDPBLNSREI-CYBMUJFWSA-N 2 0 350.419 2.006 20 5 FEBDRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000420364611 559483317 /nfs/dbraw/zinc/48/33/17/559483317.db2.gz DCEXJWHGIDWENP-HNNXBMFYSA-N 2 0 359.430 2.179 20 5 FEBDRP C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595908927 673337537 /nfs/dbraw/zinc/33/75/37/673337537.db2.gz JRICLDFMYSAXLQ-RHSMWYFYSA-N 2 0 369.487 2.208 20 5 FEBDRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387958 681000856 /nfs/dbraw/zinc/00/08/56/681000856.db2.gz YSHKZMHQYHFJQJ-TXEJJXNPSA-N 2 0 352.822 2.118 20 5 FEBDRP COc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000866011313 684060198 /nfs/dbraw/zinc/06/01/98/684060198.db2.gz CIDLIKDTSNGHCQ-HUUCEWRRSA-N 2 0 350.463 2.087 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870022619 684675634 /nfs/dbraw/zinc/67/56/34/684675634.db2.gz VIEACMLOPUNIOQ-ZIAGYGMSSA-N 2 0 368.865 2.060 20 5 FEBDRP COc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091674 690842930 /nfs/dbraw/zinc/84/29/30/690842930.db2.gz YMYKTSJUCROPTR-CABCVRRESA-N 2 0 350.463 2.138 20 5 FEBDRP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154494488 544912367 /nfs/dbraw/zinc/91/23/67/544912367.db2.gz NXBNMWPLAFVKDN-BYICEURKSA-N 2 0 372.469 2.286 20 5 FEBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000181556267 327735610 /nfs/dbraw/zinc/73/56/10/327735610.db2.gz NTZLWEPNKIBZSU-KRWDZBQOSA-N 2 0 363.458 2.142 20 5 FEBDRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000101595663 325474260 /nfs/dbraw/zinc/47/42/60/325474260.db2.gz NXVZPOUHKZGSTG-ZIAGYGMSSA-N 2 0 367.446 2.288 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499519201 561552768 /nfs/dbraw/zinc/55/27/68/561552768.db2.gz GIVODQFWDFMNCG-QGZVFWFLSA-N 2 0 362.474 2.012 20 5 FEBDRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289791382 552379430 /nfs/dbraw/zinc/37/94/30/552379430.db2.gz LXMROOODEYEJNL-UHFFFAOYSA-N 2 0 374.485 2.409 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702591 553603283 /nfs/dbraw/zinc/60/32/83/553603283.db2.gz FKAUYJOKPRNYBP-ZDUSSCGKSA-N 2 0 354.476 2.144 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345260 555295156 /nfs/dbraw/zinc/29/51/56/555295156.db2.gz UYCJBFPHVHGMHM-IKGGRYGDSA-N 2 0 363.458 2.453 20 5 FEBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345261 555295396 /nfs/dbraw/zinc/29/53/96/555295396.db2.gz UYCJBFPHVHGMHM-IXDOHACOSA-N 2 0 363.458 2.453 20 5 FEBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513820799 561951341 /nfs/dbraw/zinc/95/13/41/561951341.db2.gz WLMKHMDRQVQXHB-UHFFFAOYSA-N 2 0 363.458 2.408 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518802263 562118942 /nfs/dbraw/zinc/11/89/42/562118942.db2.gz VAXOFPODWSECGL-MRXNPFEDSA-N 2 0 366.437 2.222 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373785311 557758681 /nfs/dbraw/zinc/75/86/81/557758681.db2.gz COKGTHHSNIVUNO-GOSISDBHSA-N 2 0 362.474 2.204 20 5 FEBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969421 559198055 /nfs/dbraw/zinc/19/80/55/559198055.db2.gz GPJDEBPWNZBCJA-CJNGLKHVSA-N 2 0 374.407 2.342 20 5 FEBDRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403127 559627951 /nfs/dbraw/zinc/62/79/51/559627951.db2.gz YUTORMSCKJDLCR-CABCVRRESA-N 2 0 360.380 2.472 20 5 FEBDRP COc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424289668 559660842 /nfs/dbraw/zinc/66/08/42/559660842.db2.gz MGIOLKWVHHBOEB-CYBMUJFWSA-N 2 0 362.430 2.006 20 5 FEBDRP C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530880286 562427121 /nfs/dbraw/zinc/42/71/21/562427121.db2.gz GPOPYMFKVUZQTO-AWEZNQCLSA-N 2 0 368.503 2.027 20 5 FEBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751088 568175240 /nfs/dbraw/zinc/17/52/40/568175240.db2.gz XRVQJSBCBPCPCP-DLBZAZTESA-N 2 0 365.474 2.292 20 5 FEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340978 684093186 /nfs/dbraw/zinc/09/31/86/684093186.db2.gz JJXIRYJJRMBRSC-CABCVRRESA-N 2 0 352.454 2.281 20 5 FEBDRP Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000518660957 539440353 /nfs/dbraw/zinc/44/03/53/539440353.db2.gz MKUQSZYOJDFXCD-UHFFFAOYSA-N 2 0 356.430 2.317 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125571645 543889286 /nfs/dbraw/zinc/88/92/86/543889286.db2.gz XQAVVJGUGFWEQQ-QGZVFWFLSA-N 2 0 362.474 2.391 20 5 FEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000125594592 543890762 /nfs/dbraw/zinc/89/07/62/543890762.db2.gz FMKGXOZWMFXFRA-KRWDZBQOSA-N 2 0 362.474 2.391 20 5 FEBDRP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830566 544075435 /nfs/dbraw/zinc/07/54/35/544075435.db2.gz MIZILFIHSUADMV-OLZOCXBDSA-N 2 0 352.410 2.477 20 5 FEBDRP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000153646713 544803270 /nfs/dbraw/zinc/80/32/70/544803270.db2.gz JGSXIHJXECIXET-AWEZNQCLSA-N 2 0 351.447 2.348 20 5 FEBDRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121651151 326354984 /nfs/dbraw/zinc/35/49/84/326354984.db2.gz LNAFGMLVMFNKED-GOSISDBHSA-N 2 0 360.458 2.364 20 5 FEBDRP CCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153674309 326739363 /nfs/dbraw/zinc/73/93/63/326739363.db2.gz DLZYZZWKQQRBMN-CABCVRRESA-N 2 0 350.463 2.280 20 5 FEBDRP [NH3+]C1CC[NH+](CCCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433152527 330273696 /nfs/dbraw/zinc/27/36/96/330273696.db2.gz MJLLMHIDCFLNKH-UHFFFAOYSA-N 2 0 362.474 2.237 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000182866479 547563771 /nfs/dbraw/zinc/56/37/71/547563771.db2.gz KEQOULCPPMTTEF-HNNXBMFYSA-N 2 0 362.474 2.354 20 5 FEBDRP C[N@@H+]1CCC[C@H](C[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000375479895 558034903 /nfs/dbraw/zinc/03/49/03/558034903.db2.gz FECKGKCEVXYYPN-YLJYHZDGSA-N 2 0 370.453 2.429 20 5 FEBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887114 558094013 /nfs/dbraw/zinc/09/40/13/558094013.db2.gz BVVGGQLARIFQRV-SFHVURJKSA-N 2 0 362.474 2.074 20 5 FEBDRP Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415001928 559200047 /nfs/dbraw/zinc/20/00/47/559200047.db2.gz CTXHNFJIEKIRTF-ZWKOTPCHSA-N 2 0 355.442 2.473 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292867 559660907 /nfs/dbraw/zinc/66/09/07/559660907.db2.gz OKTFDTOMYDLKEX-ZDUSSCGKSA-N 2 0 362.430 2.006 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430566463 559823077 /nfs/dbraw/zinc/82/30/77/559823077.db2.gz CMEKARPNPQJIOW-CQSZACIVSA-N 2 0 352.435 2.237 20 5 FEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000449083854 560215379 /nfs/dbraw/zinc/21/53/79/560215379.db2.gz VTLGUNWVUJWIAA-MRXNPFEDSA-N 2 0 369.469 2.462 20 5 FEBDRP Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000530756668 562423033 /nfs/dbraw/zinc/42/30/33/562423033.db2.gz XKNCFFCITGTLDJ-HNNXBMFYSA-N 2 0 365.478 2.099 20 5 FEBDRP CC1(C)CC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000560263089 674573753 /nfs/dbraw/zinc/57/37/53/674573753.db2.gz WJCMWFXDLNDQNW-AWEZNQCLSA-N 2 0 351.447 2.233 20 5 FEBDRP CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000578187150 671647183 /nfs/dbraw/zinc/64/71/83/671647183.db2.gz RDRYOEKKNLIOGX-MRXNPFEDSA-N 2 0 351.447 2.046 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000595015428 673186320 /nfs/dbraw/zinc/18/63/20/673186320.db2.gz DTXBWCCETQDWQB-GOEBONIOSA-N 2 0 351.447 2.491 20 5 FEBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593660 681412586 /nfs/dbraw/zinc/41/25/86/681412586.db2.gz YZTIRSQBGNTPRU-QZTJIDSGSA-N 2 0 351.447 2.061 20 5 FEBDRP C[NH+](C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000877669643 686433145 /nfs/dbraw/zinc/43/31/45/686433145.db2.gz SHCKHZBQVHLIHM-HUUCEWRRSA-N 2 0 354.882 2.419 20 5 FEBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150813130 544474919 /nfs/dbraw/zinc/47/49/19/544474919.db2.gz YSXLJDNXOJCIHE-OAHLLOKOSA-N 2 0 374.441 2.311 20 5 FEBDRP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000297124116 330193898 /nfs/dbraw/zinc/19/38/98/330193898.db2.gz YWODOOPVGSBKCH-AWEZNQCLSA-N 2 0 357.414 2.337 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277234361 550645990 /nfs/dbraw/zinc/64/59/90/550645990.db2.gz OZODQCVFINLVKD-AWEZNQCLSA-N 2 0 364.446 2.348 20 5 FEBDRP CN1CCN(c2ncc(CNC(C)(C)c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000291785691 552661435 /nfs/dbraw/zinc/66/14/35/552661435.db2.gz VNKUCVHYHDVOQZ-UHFFFAOYSA-N 2 0 370.457 2.162 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000508087416 561750995 /nfs/dbraw/zinc/75/09/95/561750995.db2.gz JBSMYJIOYSPHNC-CQSZACIVSA-N 2 0 368.503 2.453 20 5 FEBDRP [NH3+]C1CC[NH+](CCCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000423731739 559637491 /nfs/dbraw/zinc/63/74/91/559637491.db2.gz YHXZNRZWBUOWGK-UHFFFAOYSA-N 2 0 360.458 2.289 20 5 FEBDRP O=C(NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000469848369 560966416 /nfs/dbraw/zinc/96/64/16/560966416.db2.gz IZSGVUVLBMAMAK-WIVVLVHASA-N 2 0 372.469 2.188 20 5 FEBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595007296 673185770 /nfs/dbraw/zinc/18/57/70/673185770.db2.gz MCDOGRDBGYIXBI-OAHLLOKOSA-N 2 0 350.463 2.282 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000595013886 673186447 /nfs/dbraw/zinc/18/64/47/673186447.db2.gz UULYKDCNRVJJOE-OAHLLOKOSA-N 2 0 350.463 2.282 20 5 FEBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596655919 673401528 /nfs/dbraw/zinc/40/15/28/673401528.db2.gz ZQDYBNYMFKQHMC-NSHDSACASA-N 2 0 363.443 2.210 20 5 FEBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593666 681413199 /nfs/dbraw/zinc/41/31/99/681413199.db2.gz YZTIRSQBGNTPRU-ZWKOTPCHSA-N 2 0 351.447 2.061 20 5 FEBDRP COc1cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091675 690843231 /nfs/dbraw/zinc/84/32/31/690843231.db2.gz YMYKTSJUCROPTR-GJZGRUSLSA-N 2 0 350.463 2.138 20 5 FEBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000516788801 562058256 /nfs/dbraw/zinc/05/82/56/562058256.db2.gz OZLJTMPLDZXTJL-UHFFFAOYSA-N 2 0 363.458 2.408 20 5 FEBDRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414187244 559152223 /nfs/dbraw/zinc/15/22/23/559152223.db2.gz IFEPYRYKHQMHOG-MRXNPFEDSA-N 2 0 362.474 2.042 20 5 FEBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422631942 559598974 /nfs/dbraw/zinc/59/89/74/559598974.db2.gz GBVFUHIANPCIKW-MCIONIFRSA-N 2 0 364.446 2.237 20 5 FEBDRP Cc1c([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374030 559627048 /nfs/dbraw/zinc/62/70/48/559627048.db2.gz CFKIUGFEUJQKSU-DOMZBBRYSA-N 2 0 360.380 2.390 20 5 FEBDRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423403130 559628032 /nfs/dbraw/zinc/62/80/32/559628032.db2.gz YUTORMSCKJDLCR-LSDHHAIUSA-N 2 0 360.380 2.472 20 5 FEBDRP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000470019091 560972332 /nfs/dbraw/zinc/97/23/32/560972332.db2.gz RDEQNIPZKQJHBT-QGZVFWFLSA-N 2 0 374.485 2.362 20 5 FEBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000530642049 562418771 /nfs/dbraw/zinc/41/87/71/562418771.db2.gz KACQGXRLNWFFRH-UHFFFAOYSA-N 2 0 364.471 2.375 20 5 FEBDRP CCOc1ccc(NC(=O)CN2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309284 562530966 /nfs/dbraw/zinc/53/09/66/562530966.db2.gz XSZBQGYRUSZDGS-CYBMUJFWSA-N 2 0 373.413 2.155 20 5 FEBDRP CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000558516190 674501204 /nfs/dbraw/zinc/50/12/04/674501204.db2.gz REDZSZPSKUQGIE-UHFFFAOYSA-N 2 0 351.451 2.114 20 5 FEBDRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382415 681000637 /nfs/dbraw/zinc/00/06/37/681000637.db2.gz OZYQFZCIETWLOK-QGZVFWFLSA-N 2 0 350.394 2.138 20 5 FEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000872228229 684929622 /nfs/dbraw/zinc/92/96/22/684929622.db2.gz GINCWWXSZFXOGJ-BFHRDPOASA-N 2 0 351.447 2.187 20 5 FEBDRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000057157469 540773422 /nfs/dbraw/zinc/77/34/22/540773422.db2.gz CPIVBLFQUXLHGI-UHFFFAOYSA-N 2 0 350.463 2.249 20 5 FEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046438956 324607911 /nfs/dbraw/zinc/60/79/11/324607911.db2.gz FFYTYINMWGDSND-UHFFFAOYSA-N 2 0 351.451 2.332 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277234368 550646180 /nfs/dbraw/zinc/64/61/80/550646180.db2.gz OZODQCVFINLVKD-CQSZACIVSA-N 2 0 364.446 2.348 20 5 FEBDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000503198768 561636492 /nfs/dbraw/zinc/63/64/92/561636492.db2.gz MVWFVVPPTXCAEG-DOTOQJQBSA-N 2 0 350.463 2.247 20 5 FEBDRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298807991 553475652 /nfs/dbraw/zinc/47/56/52/553475652.db2.gz PVTOVMPWURZFMQ-UHFFFAOYSA-N 2 0 350.463 2.249 20 5 FEBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000365772003 555664466 /nfs/dbraw/zinc/66/44/66/555664466.db2.gz ZBHAFOPDQHRIEK-CXAGYDPISA-N 2 0 356.382 2.470 20 5 FEBDRP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420320200 559480001 /nfs/dbraw/zinc/48/00/01/559480001.db2.gz YNNPPHZCWYBBIU-ZDUSSCGKSA-N 2 0 350.419 2.006 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422626315 559598569 /nfs/dbraw/zinc/59/85/69/559598569.db2.gz DTFKPBHJMDBYTN-MJBXVCDLSA-N 2 0 364.446 2.237 20 5 FEBDRP O=C1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000423458094 559629656 /nfs/dbraw/zinc/62/96/56/559629656.db2.gz PQSOZZIQXLCSAL-GGPKGHCWSA-N 2 0 372.469 2.209 20 5 FEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544101 559631676 /nfs/dbraw/zinc/63/16/76/559631676.db2.gz NZOAAWWEYCIETF-YFHUEUNASA-N 2 0 355.442 2.395 20 5 FEBDRP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507230 560232321 /nfs/dbraw/zinc/23/23/21/560232321.db2.gz STKNDOSUKRCZKN-SFHVURJKSA-N 2 0 374.485 2.361 20 5 FEBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000470002238 560971568 /nfs/dbraw/zinc/97/15/68/560971568.db2.gz FNABGUHCEMPHNX-OAHLLOKOSA-N 2 0 372.425 2.142 20 5 FEBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000470020849 560972349 /nfs/dbraw/zinc/97/23/49/560972349.db2.gz MLLNNGARLYCQIB-AWEZNQCLSA-N 2 0 372.425 2.142 20 5 FEBDRP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530396685 562409713 /nfs/dbraw/zinc/40/97/13/562409713.db2.gz GOXJBSOIXOBKHI-UHFFFAOYSA-N 2 0 351.451 2.169 20 5 FEBDRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583019720 672055797 /nfs/dbraw/zinc/05/57/97/672055797.db2.gz FPBIJWRSSAUQCC-VMBOVVBDSA-N 2 0 351.447 2.045 20 5 FEBDRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247464215 549338025 /nfs/dbraw/zinc/33/80/25/549338025.db2.gz IQZKYYRBIFJPME-DOTOQJQBSA-N 2 0 351.447 2.141 20 5 FEBDRP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000155311487 545508972 /nfs/dbraw/zinc/50/89/72/545508972.db2.gz DPLLELFJWDJJSF-DOTOQJQBSA-N 2 0 362.474 2.497 20 5 FEBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013446 548240098 /nfs/dbraw/zinc/24/00/98/548240098.db2.gz MRHDLUHMLFHKQE-MNEFBYGVSA-N 2 0 365.474 2.355 20 5 FEBDRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248455354 549442376 /nfs/dbraw/zinc/44/23/76/549442376.db2.gz KXDUBAKFJJSARM-JKSUJKDBSA-N 2 0 351.447 2.141 20 5 FEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272327 549574455 /nfs/dbraw/zinc/57/44/55/549574455.db2.gz KVEAIWADEZBDKG-CXAGYDPISA-N 2 0 364.421 2.479 20 5 FEBDRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415048209 559202262 /nfs/dbraw/zinc/20/22/62/559202262.db2.gz WQOCHTOEBUCDPD-ZYHUDNBSSA-N 2 0 359.373 2.464 20 5 FEBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329556 559481004 /nfs/dbraw/zinc/48/10/04/559481004.db2.gz OQZLDVIWNRLGBK-LSDHHAIUSA-N 2 0 357.414 2.466 20 5 FEBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431035719 559832970 /nfs/dbraw/zinc/83/29/70/559832970.db2.gz BTVMSLOGCFWFRH-UHFFFAOYSA-N 2 0 362.430 2.008 20 5 FEBDRP C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)C[NH+](C)C ZINC000449938527 560245849 /nfs/dbraw/zinc/24/58/49/560245849.db2.gz JSUVEIPUPJYPSF-ZDUSSCGKSA-N 2 0 359.430 2.487 20 5 FEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460877312 560754050 /nfs/dbraw/zinc/75/40/50/560754050.db2.gz CAOAVCDNOFPNDB-GOSISDBHSA-N 2 0 362.474 2.012 20 5 FEBDRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594313 675135015 /nfs/dbraw/zinc/13/50/15/675135015.db2.gz UFRYLSHVHGMFSE-HZPDHXFCSA-N 2 0 351.447 2.046 20 5 FEBDRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000567687479 675312664 /nfs/dbraw/zinc/31/26/64/675312664.db2.gz LULDYJPGGQGWJQ-UYSNPLJNSA-N 2 0 351.447 2.045 20 5 FEBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843352984 680999386 /nfs/dbraw/zinc/99/93/86/680999386.db2.gz QNJQNVZELZXKDX-UHFFFAOYSA-N 2 0 352.410 2.384 20 5 FEBDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385737 683712176 /nfs/dbraw/zinc/71/21/76/683712176.db2.gz ABVYJRXAVOJQGC-ZJPYXAASSA-N 2 0 351.422 2.303 20 5 FEBDRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762739 684583158 /nfs/dbraw/zinc/58/31/58/684583158.db2.gz NRPDIEALXYJFCF-MFKMUULPSA-N 2 0 358.236 2.214 20 5 FEBDRP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[NH+](C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895741015 689763995 /nfs/dbraw/zinc/76/39/95/689763995.db2.gz WQAQXOJQHRRWFT-IRCOFANPSA-N 2 0 354.480 2.060 20 5 FEBDRP COc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903067684 690840806 /nfs/dbraw/zinc/84/08/06/690840806.db2.gz VGLQUVWGYDSFKQ-CQSZACIVSA-N 2 0 350.463 2.280 20 5 FEBDRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000076893844 542328772 /nfs/dbraw/zinc/32/87/72/542328772.db2.gz UZOJJAFWVDVXJL-UHFFFAOYSA-N 2 0 370.453 2.484 20 5 FEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125246602 543870068 /nfs/dbraw/zinc/87/00/68/543870068.db2.gz ZTXLJMOHVKJURZ-UHFFFAOYSA-N 2 0 369.425 2.449 20 5 FEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000182866458 327791682 /nfs/dbraw/zinc/79/16/82/327791682.db2.gz KEQOULCPPMTTEF-OAHLLOKOSA-N 2 0 362.474 2.354 20 5 FEBDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777581 /nfs/dbraw/zinc/77/75/81/552777581.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 2 0 364.421 2.480 20 5 FEBDRP [NH3+]C[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303966 559660990 /nfs/dbraw/zinc/66/09/90/559660990.db2.gz QCLKQBQGZGVCGG-GDBMZVCRSA-N 2 0 359.405 2.358 20 5 FEBDRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430574334 559823311 /nfs/dbraw/zinc/82/33/11/559823311.db2.gz NWFKIORSUMZZFL-CQSZACIVSA-N 2 0 350.419 2.198 20 5 FEBDRP CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435613184 559926206 /nfs/dbraw/zinc/92/62/06/559926206.db2.gz JHFSKIRQIXURAZ-CQSZACIVSA-N 2 0 362.430 2.357 20 5 FEBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764122 560056558 /nfs/dbraw/zinc/05/65/58/560056558.db2.gz FISIYRVSAFEUKR-NNQSOWQGSA-N 2 0 362.430 2.147 20 5 FEBDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000569595944 568409047 /nfs/dbraw/zinc/40/90/47/568409047.db2.gz YXPWWBIGQXCNEI-MRXNPFEDSA-N 2 0 351.447 2.046 20 5 FEBDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579823844 671762905 /nfs/dbraw/zinc/76/29/05/671762905.db2.gz IVJOAJUUXJSMQL-INIZCTEOSA-N 2 0 351.447 2.045 20 5 FEBDRP