smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCOC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000094073185 728479586 /nfs/dbraw/zinc/47/95/86/728479586.db2.gz HDQATVZFTFDGMG-UHFFFAOYSA-N 1 0 358.236 2.692 10 5 FFBERO CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000117436141 728578417 /nfs/dbraw/zinc/57/84/17/728578417.db2.gz LNUKCFQBYYUVKM-ZDUSSCGKSA-N 1 0 370.837 2.823 10 5 FFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000588495423 966102584 /nfs/dbraw/zinc/10/25/84/966102584.db2.gz UVTJRMKVYXVCSF-NXVVXOECSA-N 1 0 374.485 2.530 10 5 FFBERO COc1cccc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])c1 ZINC000040586939 205072472 /nfs/dbraw/zinc/07/24/72/205072472.db2.gz YXVIIOAAMQGZMA-UHFFFAOYSA-N 1 0 372.429 2.667 10 5 FFBERO C[NH+](C)Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1F ZINC000301892237 258073185 /nfs/dbraw/zinc/07/31/85/258073185.db2.gz RXGXQOLOSZZSCL-UHFFFAOYSA-N 1 0 374.372 2.739 10 5 FFBERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000116246323 508491525 /nfs/dbraw/zinc/49/15/25/508491525.db2.gz VJTXZCKLPOVSLQ-YJBOKZPZSA-N 1 0 368.437 2.939 10 5 FFBERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cn1 ZINC000153820559 508656274 /nfs/dbraw/zinc/65/62/74/508656274.db2.gz CGRLJTXPHIWZAM-UHFFFAOYSA-N 1 0 363.849 2.690 10 5 FFBERO C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000123985887 508766826 /nfs/dbraw/zinc/76/68/26/508766826.db2.gz FRAJAAIKZXARJH-CXAGYDPISA-N 1 0 369.487 2.921 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154588454 508815053 /nfs/dbraw/zinc/81/50/53/508815053.db2.gz JNKHRGHCIZLPPH-HNNXBMFYSA-N 1 0 357.414 2.593 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccnn2C)CC1 ZINC000160517011 508997926 /nfs/dbraw/zinc/99/79/26/508997926.db2.gz ZLWZLEHBSZBPMC-UHFFFAOYSA-N 1 0 371.441 2.845 10 5 FFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160784899 509032564 /nfs/dbraw/zinc/03/25/64/509032564.db2.gz OVXWGWJWVSCMSR-RDTXWAMCSA-N 1 0 358.398 2.772 10 5 FFBERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000191978254 509273707 /nfs/dbraw/zinc/27/37/07/509273707.db2.gz DXFWQBOUHYUOKD-UHFFFAOYSA-N 1 0 363.458 2.833 10 5 FFBERO COC(=O)c1cnc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189379541 509547624 /nfs/dbraw/zinc/54/76/24/509547624.db2.gz IMJULISFISTNHK-ZDUSSCGKSA-N 1 0 358.398 2.709 10 5 FFBERO Cn1cc(CN2CCC[N@@H+](C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179727882 509593448 /nfs/dbraw/zinc/59/34/48/509593448.db2.gz WIRPEKARONSLNG-UHFFFAOYSA-N 1 0 355.442 2.665 10 5 FFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292127 509628878 /nfs/dbraw/zinc/62/88/78/509628878.db2.gz BRIRSYQVBHPAFZ-IAGOWNOFSA-N 1 0 350.415 2.667 10 5 FFBERO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043111 509722814 /nfs/dbraw/zinc/72/28/14/509722814.db2.gz CCHLVXOBTJPPFA-JXFKEZNVSA-N 1 0 355.438 2.995 10 5 FFBERO CCOc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000177009189 509815342 /nfs/dbraw/zinc/81/53/42/509815342.db2.gz DOAACDWKADAHKX-ZDUSSCGKSA-N 1 0 365.430 2.558 10 5 FFBERO CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C[C@H](C)O ZINC000245924756 510209044 /nfs/dbraw/zinc/20/90/44/510209044.db2.gz TXQAHJAGLGIUHZ-YOEHRIQHSA-N 1 0 374.441 2.527 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000174974081 510415079 /nfs/dbraw/zinc/41/50/79/510415079.db2.gz YVKYTVLNQBVNBY-FUHWJXTLSA-N 1 0 360.458 2.872 10 5 FFBERO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000175148832 510504295 /nfs/dbraw/zinc/50/42/95/510504295.db2.gz BUDNRNROVXUYAP-UHFFFAOYSA-N 1 0 374.441 2.562 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000245481826 729570380 /nfs/dbraw/zinc/57/03/80/729570380.db2.gz YTDXMAVRNCLXIM-OCCSQVGLSA-N 1 0 368.865 2.991 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000245481827 729570599 /nfs/dbraw/zinc/57/05/99/729570599.db2.gz YTDXMAVRNCLXIM-TZMCWYRMSA-N 1 0 368.865 2.991 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107708621 250310953 /nfs/dbraw/zinc/31/09/53/250310953.db2.gz PXILZWHZPLMODG-MRXNPFEDSA-N 1 0 367.471 2.542 10 5 FFBERO CN(c1ncc([N+](=O)[O-])c(N)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301331830 258042796 /nfs/dbraw/zinc/04/27/96/258042796.db2.gz LWOGDPOTGUZVKA-XYPWUTKMSA-N 1 0 368.441 2.599 10 5 FFBERO CC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000302039057 258083764 /nfs/dbraw/zinc/08/37/64/258083764.db2.gz VRYQHQKQRJFNMA-HNNXBMFYSA-N 1 0 358.442 2.998 10 5 FFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732419 507860015 /nfs/dbraw/zinc/86/00/15/507860015.db2.gz YZIXVSCHCIXPID-QZTJIDSGSA-N 1 0 367.453 2.965 10 5 FFBERO O=c1[nH]cnc2cc(N3CCC[C@H]([NH+]4CCCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000091482390 507989601 /nfs/dbraw/zinc/98/96/01/507989601.db2.gz RWGYNVKNMFOBPE-AWEZNQCLSA-N 1 0 371.441 2.676 10 5 FFBERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000116253032 508493055 /nfs/dbraw/zinc/49/30/55/508493055.db2.gz UBVHTJNPPQNCFS-MAUKXSAKSA-N 1 0 368.437 2.939 10 5 FFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000120882602 509082437 /nfs/dbraw/zinc/08/24/37/509082437.db2.gz BVRQMIYEWUMHIV-SFHVURJKSA-N 1 0 360.458 2.797 10 5 FFBERO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801195 509085834 /nfs/dbraw/zinc/08/58/34/509085834.db2.gz BQPQZHQVFITUOO-QRWLVFNGSA-N 1 0 355.438 2.665 10 5 FFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)o1 ZINC000121009913 509109067 /nfs/dbraw/zinc/10/90/67/509109067.db2.gz SEMDYRWDDLCPLO-HNNXBMFYSA-N 1 0 357.410 2.761 10 5 FFBERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178275 509146018 /nfs/dbraw/zinc/14/60/18/509146018.db2.gz JXSDWHOUTSKKMN-IRXDYDNUSA-N 1 0 361.442 2.863 10 5 FFBERO O=[N+]([O-])c1cnc(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1 ZINC000192451351 509524780 /nfs/dbraw/zinc/52/47/80/509524780.db2.gz XFHMWTRWKWSDGS-HNNXBMFYSA-N 1 0 362.455 2.909 10 5 FFBERO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000192823299 509658605 /nfs/dbraw/zinc/65/86/05/509658605.db2.gz BUHRCUJPJUDSIP-CYBMUJFWSA-N 1 0 371.393 2.680 10 5 FFBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186506993 509746420 /nfs/dbraw/zinc/74/64/20/509746420.db2.gz ADVQDHQZAODZCW-HNNXBMFYSA-N 1 0 358.442 2.552 10 5 FFBERO CCCCOC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193382934 509891227 /nfs/dbraw/zinc/89/12/27/509891227.db2.gz GYJDIRAYNOXRAF-INIZCTEOSA-N 1 0 352.431 2.616 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245420691 509921269 /nfs/dbraw/zinc/92/12/69/509921269.db2.gz HQLFJYWZZPTWRF-HOTGVXAUSA-N 1 0 360.458 2.790 10 5 FFBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000246694952 510621325 /nfs/dbraw/zinc/62/13/25/510621325.db2.gz NACXFLSPQNTXQZ-GDBMZVCRSA-N 1 0 370.409 2.779 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182098100 510757085 /nfs/dbraw/zinc/75/70/85/510757085.db2.gz NVZPFDHMUFISGC-AWEZNQCLSA-N 1 0 357.410 2.854 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000247485997 510862628 /nfs/dbraw/zinc/86/26/28/510862628.db2.gz TVDROXUQFPOEJR-ZBFHGGJFSA-N 1 0 358.442 2.504 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCN(C)CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000408358881 513052654 /nfs/dbraw/zinc/05/26/54/513052654.db2.gz ISNJAPIYXRWGDQ-UHFFFAOYSA-N 1 0 367.471 2.542 10 5 FFBERO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177768400 729146267 /nfs/dbraw/zinc/14/62/67/729146267.db2.gz APMJXXZBZNWIBB-GXTWGEPZSA-N 1 0 366.849 2.745 10 5 FFBERO CN(c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040586241 205072864 /nfs/dbraw/zinc/07/28/64/205072864.db2.gz JBGCQXJWARCOLA-UHFFFAOYSA-N 1 0 368.441 2.609 10 5 FFBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc2c(c1)OCO2 ZINC000040584088 205073706 /nfs/dbraw/zinc/07/37/06/205073706.db2.gz ZBKDPGCTFOBMAM-UHFFFAOYSA-N 1 0 352.310 2.996 10 5 FFBERO COc1ccc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])cc1 ZINC000040649533 205075728 /nfs/dbraw/zinc/07/57/28/205075728.db2.gz XPYHAOIDAZYMEG-UHFFFAOYSA-N 1 0 372.429 2.667 10 5 FFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129747 250240075 /nfs/dbraw/zinc/24/00/75/250240075.db2.gz PPENZAPMTUDPIH-MRXNPFEDSA-N 1 0 357.458 2.949 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541700 251285515 /nfs/dbraw/zinc/28/55/15/251285515.db2.gz VEBZMCQSMFOBCP-LLVKDONJSA-N 1 0 353.473 2.775 10 5 FFBERO Cn1cc([C@@H](CNc2cc(Br)ccc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301676014 258062800 /nfs/dbraw/zinc/06/28/00/258062800.db2.gz PXDMZHALJUMZJZ-CQSZACIVSA-N 1 0 368.235 2.806 10 5 FFBERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116250192 508491185 /nfs/dbraw/zinc/49/11/85/508491185.db2.gz IIYDYADCQVECAL-YJBOKZPZSA-N 1 0 368.437 2.939 10 5 FFBERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155129585 508929829 /nfs/dbraw/zinc/92/98/29/508929829.db2.gz RMIPBBITVBSZDZ-SNVBAGLBSA-N 1 0 357.208 2.525 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000131471353 508936483 /nfs/dbraw/zinc/93/64/83/508936483.db2.gz NAWYUFLJHJVDHE-CQSZACIVSA-N 1 0 355.460 2.531 10 5 FFBERO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132927704 509092757 /nfs/dbraw/zinc/09/27/57/509092757.db2.gz QWDTUXPAGFJCBB-RTBURBONSA-N 1 0 363.458 2.921 10 5 FFBERO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132927484 509092761 /nfs/dbraw/zinc/09/27/61/509092761.db2.gz QWDTUXPAGFJCBB-OALUTQOASA-N 1 0 363.458 2.921 10 5 FFBERO C[NH2+]C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261913991 510114244 /nfs/dbraw/zinc/11/42/44/510114244.db2.gz GOUUPQXFXJICQY-JTQLQIEISA-N 1 0 365.231 2.951 10 5 FFBERO Cc1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190601405 510233236 /nfs/dbraw/zinc/23/32/36/510233236.db2.gz QVHJXCYXUUBFHQ-KRWDZBQOSA-N 1 0 368.437 2.892 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190626044 510247794 /nfs/dbraw/zinc/24/77/94/510247794.db2.gz ZMOFHLVMWMAAMX-MRXNPFEDSA-N 1 0 354.410 2.584 10 5 FFBERO CC[C@@H]([NH2+]CC(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181530684 510457387 /nfs/dbraw/zinc/45/73/87/510457387.db2.gz RESGZBXPLYAGMW-GOSISDBHSA-N 1 0 357.410 2.961 10 5 FFBERO CC[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181549999 510467630 /nfs/dbraw/zinc/46/76/30/510467630.db2.gz LNRYNIUPHALHMU-SFHVURJKSA-N 1 0 357.410 2.831 10 5 FFBERO Cc1c(F)cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000184947564 510599896 /nfs/dbraw/zinc/59/98/96/510599896.db2.gz NMXIUADDRRWQPP-ZDUSSCGKSA-N 1 0 373.450 2.537 10 5 FFBERO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923798 510747798 /nfs/dbraw/zinc/74/77/98/510747798.db2.gz NAMXVAZLCAUTKH-SWLSCSKDSA-N 1 0 366.849 2.603 10 5 FFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247286854 510855377 /nfs/dbraw/zinc/85/53/77/510855377.db2.gz KPWXFUDKALYAAF-GXTWGEPZSA-N 1 0 369.849 2.862 10 5 FFBERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247556169 510865671 /nfs/dbraw/zinc/86/56/71/510865671.db2.gz UBVHTJNPPQNCFS-QAPCUYQASA-N 1 0 368.437 2.939 10 5 FFBERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000382455486 512878162 /nfs/dbraw/zinc/87/81/62/512878162.db2.gz IVJBETIDBRHDHF-WCBMZHEXSA-N 1 0 361.183 2.739 10 5 FFBERO COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(c(O)c3[C@@H]1C2)OCO4 ZINC000936069381 717195209 /nfs/dbraw/zinc/19/52/09/717195209.db2.gz FJOUYKHTSXWRMH-OYHNWAKOSA-O 1 0 370.425 2.938 10 5 in-vitro FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000174533161 729073796 /nfs/dbraw/zinc/07/37/96/729073796.db2.gz HBQDIOCKDXWVLW-LBPRGKRZSA-N 1 0 370.247 2.914 10 5 FFBERO COc1ccccc1Nc1ncnc(N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040648440 205076174 /nfs/dbraw/zinc/07/61/74/205076174.db2.gz QOUOCHSJCQCMMY-UHFFFAOYSA-N 1 0 372.429 2.667 10 5 FFBERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1[N+](=O)[O-] ZINC000106178013 250247643 /nfs/dbraw/zinc/24/76/43/250247643.db2.gz VIEGBMBWLQFGDR-MRXNPFEDSA-N 1 0 359.430 2.724 10 5 FFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106177600 250248520 /nfs/dbraw/zinc/24/85/20/250248520.db2.gz OPODMEBUUYACQM-INIZCTEOSA-N 1 0 359.430 2.594 10 5 FFBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107708269 250311312 /nfs/dbraw/zinc/31/13/12/250311312.db2.gz CAGNKORSXHCAPG-OAHLLOKOSA-N 1 0 367.471 2.542 10 5 FFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C1 ZINC000155643667 509043160 /nfs/dbraw/zinc/04/31/60/509043160.db2.gz XCPBGJFGWSYHFW-HZMBPMFUSA-N 1 0 370.247 2.816 10 5 FFBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396299 506506792 /nfs/dbraw/zinc/50/67/92/506506792.db2.gz YYUJAQJEBXBGQS-GFCCVEGCSA-N 1 0 367.833 2.574 10 5 FFBERO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000071564955 507706513 /nfs/dbraw/zinc/70/65/13/507706513.db2.gz LEZHLESFVJFJRJ-UHFFFAOYSA-N 1 0 370.409 2.644 10 5 FFBERO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000113317959 508260619 /nfs/dbraw/zinc/26/06/19/508260619.db2.gz NRSGNVHCJRNCQK-CYBMUJFWSA-N 1 0 362.455 2.529 10 5 FFBERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136896596 508723017 /nfs/dbraw/zinc/72/30/17/508723017.db2.gz PIOAISFIRDQQTC-LPHOPBHVSA-N 1 0 369.421 2.979 10 5 FFBERO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801107 509085673 /nfs/dbraw/zinc/08/56/73/509085673.db2.gz BQPQZHQVFITUOO-YWZLYKJASA-N 1 0 355.438 2.665 10 5 FFBERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000248701386 509442533 /nfs/dbraw/zinc/44/25/33/509442533.db2.gz NAUSFVVCWWQOOT-LSDHHAIUSA-N 1 0 360.458 2.904 10 5 FFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180614565 510014761 /nfs/dbraw/zinc/01/47/61/510014761.db2.gz ZSSDAHCUZMHIDZ-HZPDHXFCSA-N 1 0 355.442 2.674 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190543756 510193988 /nfs/dbraw/zinc/19/39/88/510193988.db2.gz NTCUTCMBTOELGF-AWEZNQCLSA-N 1 0 374.466 2.954 10 5 FFBERO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000194259006 510282311 /nfs/dbraw/zinc/28/23/11/510282311.db2.gz XDGIITDMMOZVGZ-UHFFFAOYSA-N 1 0 362.411 2.712 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000247258846 510854455 /nfs/dbraw/zinc/85/44/55/510854455.db2.gz QFQSEWKERRVCEL-WMLDXEAASA-N 1 0 354.410 2.630 10 5 FFBERO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247316054 510856724 /nfs/dbraw/zinc/85/67/24/510856724.db2.gz MEUPRJRPWLXLFY-AEFFLSMTSA-N 1 0 373.409 2.672 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1SC ZINC000247472847 510862099 /nfs/dbraw/zinc/86/20/99/510862099.db2.gz VLTYZZLLVCIEMG-DGCLKSJQSA-N 1 0 367.471 2.784 10 5 FFBERO CC[N@@H+]1CCc2c(cccc2Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301709497 511700553 /nfs/dbraw/zinc/70/05/53/511700553.db2.gz UIMIGTABKVLXJC-UHFFFAOYSA-N 1 0 365.393 2.724 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000174533144 729073767 /nfs/dbraw/zinc/07/37/67/729073767.db2.gz HBQDIOCKDXWVLW-GFCCVEGCSA-N 1 0 370.247 2.914 10 5 FFBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H]1CC[NH2+]C1 ZINC000131917407 251029973 /nfs/dbraw/zinc/02/99/73/251029973.db2.gz NAVZAWFEVSFHKN-SECBINFHSA-N 1 0 351.204 2.927 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000116246934 508491510 /nfs/dbraw/zinc/49/15/10/508491510.db2.gz QHLGCPMRTSFGCB-KSSFIOAISA-N 1 0 354.410 2.630 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116251825 508491788 /nfs/dbraw/zinc/49/17/88/508491788.db2.gz TVCVTHRMRMHYQR-HNAYVOBHSA-N 1 0 368.437 2.939 10 5 FFBERO Cc1c(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000124332915 508816786 /nfs/dbraw/zinc/81/67/86/508816786.db2.gz SVUZYNVGNNUZRK-CYBMUJFWSA-N 1 0 362.430 2.620 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000131408416 508927349 /nfs/dbraw/zinc/92/73/49/508927349.db2.gz FTGIHDICWMVOIB-CYBMUJFWSA-N 1 0 355.460 2.531 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1CC ZINC000133435992 509159676 /nfs/dbraw/zinc/15/96/76/509159676.db2.gz BBZFSJVIKWUJPV-MRXNPFEDSA-N 1 0 364.446 2.868 10 5 FFBERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC[C@H]21 ZINC000247953268 509197139 /nfs/dbraw/zinc/19/71/39/509197139.db2.gz FGSCAKJDNZSOCI-CRAIPNDOSA-N 1 0 372.469 2.751 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179526612 509495101 /nfs/dbraw/zinc/49/51/01/509495101.db2.gz UNAXAJIPMGZRQF-MRXNPFEDSA-N 1 0 358.442 2.855 10 5 FFBERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249254281 509640362 /nfs/dbraw/zinc/64/03/62/509640362.db2.gz GBYUQADAAPWEQK-UGSOOPFHSA-N 1 0 365.405 2.690 10 5 FFBERO C[NH+](C)[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170858330 509815950 /nfs/dbraw/zinc/81/59/50/509815950.db2.gz HMDDJAPTZDLVMA-GFCCVEGCSA-N 1 0 374.363 2.578 10 5 FFBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245697324 510092737 /nfs/dbraw/zinc/09/27/37/510092737.db2.gz SJOKRMKIXGNPJR-RDTXWAMCSA-N 1 0 374.441 2.673 10 5 FFBERO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[N@@H+](C4CC4)CC3)o2)c1 ZINC000172539950 510781559 /nfs/dbraw/zinc/78/15/59/510781559.db2.gz ZGHDJTFFIINJSO-UHFFFAOYSA-N 1 0 356.426 2.962 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247029229 510807276 /nfs/dbraw/zinc/80/72/76/510807276.db2.gz GGKMQPKBAQRGEM-WBVHZDCISA-N 1 0 372.469 2.506 10 5 FFBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182239440 510830034 /nfs/dbraw/zinc/83/00/34/510830034.db2.gz QRLRCYVCUSMNHM-DOTOQJQBSA-N 1 0 374.441 2.522 10 5 FFBERO C[C@@H]1[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814522 512586117 /nfs/dbraw/zinc/58/61/17/512586117.db2.gz FBQNREOLPRPMAL-WMLDXEAASA-N 1 0 359.426 2.591 10 5 FFBERO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246168842 729581688 /nfs/dbraw/zinc/58/16/88/729581688.db2.gz NRTOUCJNKRPOSS-JTQLQIEISA-N 1 0 360.292 2.806 10 5 FFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106177596 250248570 /nfs/dbraw/zinc/24/85/70/250248570.db2.gz OPODMEBUUYACQM-MRXNPFEDSA-N 1 0 359.430 2.594 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707794 250311028 /nfs/dbraw/zinc/31/10/28/250311028.db2.gz MPJJRKPABFXKCW-INIZCTEOSA-N 1 0 367.471 2.542 10 5 FFBERO C[C@@H]1CCC[C@@](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)([NH+](C)C)C1 ZINC000301083403 258023809 /nfs/dbraw/zinc/02/38/09/258023809.db2.gz KXYCAUVTORVDMF-KZULUSFZSA-N 1 0 362.430 2.848 10 5 FFBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528758 507856066 /nfs/dbraw/zinc/85/60/66/507856066.db2.gz UQHDYQGXZIXJCV-INIZCTEOSA-N 1 0 360.458 2.874 10 5 FFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732212 507859725 /nfs/dbraw/zinc/85/97/25/507859725.db2.gz LDRZLROGBJPGLI-DOTOQJQBSA-N 1 0 355.442 2.965 10 5 FFBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000109790101 507987481 /nfs/dbraw/zinc/98/74/81/507987481.db2.gz QLDULTDBWMMBFT-MRXNPFEDSA-N 1 0 374.485 2.532 10 5 FFBERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000102683736 508281967 /nfs/dbraw/zinc/28/19/67/508281967.db2.gz TTWYFZNCMOJSCX-GFCCVEGCSA-N 1 0 357.366 2.921 10 5 FFBERO CC(=O)N[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000153825387 508657507 /nfs/dbraw/zinc/65/75/07/508657507.db2.gz WFBPTLOVFUGXOM-CQSZACIVSA-N 1 0 360.439 2.819 10 5 FFBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000154658211 508827821 /nfs/dbraw/zinc/82/78/21/508827821.db2.gz NACXFLSPQNTXQZ-ZBFHGGJFSA-N 1 0 370.409 2.779 10 5 FFBERO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248088198 509235112 /nfs/dbraw/zinc/23/51/12/509235112.db2.gz TUSHOFXSYZWVLP-IAGOWNOFSA-N 1 0 370.365 2.678 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000179085176 509255707 /nfs/dbraw/zinc/25/57/07/509255707.db2.gz RMFGKDQIQLFALX-MRXNPFEDSA-N 1 0 364.446 2.523 10 5 FFBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374467 509280193 /nfs/dbraw/zinc/28/01/93/509280193.db2.gz QRLRCYVCUSMNHM-NVXWUHKLSA-N 1 0 374.441 2.522 10 5 FFBERO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[N@@H+](C2CC2)CC1 ZINC000192340895 509472888 /nfs/dbraw/zinc/47/28/88/509472888.db2.gz KTDSGDZWCZGGNC-UHFFFAOYSA-N 1 0 368.231 2.668 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245675155 510075331 /nfs/dbraw/zinc/07/53/31/510075331.db2.gz GOVLNBXEPRZTGZ-MFKMUULPSA-N 1 0 368.231 2.666 10 5 FFBERO C[NH2+]C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261913998 510114139 /nfs/dbraw/zinc/11/41/39/510114139.db2.gz GOUUPQXFXJICQY-SNVBAGLBSA-N 1 0 365.231 2.951 10 5 FFBERO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171890740 510431755 /nfs/dbraw/zinc/43/17/55/510431755.db2.gz KNISSQAUEGQOCC-NSHDSACASA-N 1 0 356.329 2.508 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000246857298 510713753 /nfs/dbraw/zinc/71/37/53/510713753.db2.gz IQPATHVHVFDOFZ-QAPCUYQASA-N 1 0 360.458 2.796 10 5 FFBERO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188989 510738574 /nfs/dbraw/zinc/73/85/74/510738574.db2.gz WMFFDRYFUDGBJM-JKSUJKDBSA-N 1 0 351.378 2.706 10 5 FFBERO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000092811124 250002325 /nfs/dbraw/zinc/00/23/25/250002325.db2.gz YEOFASBCEZFGKZ-HWKANZROSA-N 1 0 356.426 2.676 10 5 FFBERO O=[N+]([O-])c1ccc(-c2noc(CN3CCC([NH+]4CCCC4)CC3)n2)cc1 ZINC000104080324 250167599 /nfs/dbraw/zinc/16/75/99/250167599.db2.gz FEKTYTLJCFWNAH-UHFFFAOYSA-N 1 0 357.414 2.705 10 5 FFBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572171 251209700 /nfs/dbraw/zinc/20/97/00/251209700.db2.gz RLVMOXLIWHTZRB-DLBZAZTESA-N 1 0 358.398 2.931 10 5 FFBERO C[NH+](C)C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000032273343 506238020 /nfs/dbraw/zinc/23/80/20/506238020.db2.gz LWQHZFIYXNORKL-INIZCTEOSA-N 1 0 353.382 2.504 10 5 FFBERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000007107251 506533983 /nfs/dbraw/zinc/53/39/83/506533983.db2.gz JXPAKYMSWMPOKC-UHFFFAOYSA-N 1 0 354.410 2.989 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154132380 508722607 /nfs/dbraw/zinc/72/26/07/508722607.db2.gz OTDUBNDYPYAOQS-CYBMUJFWSA-N 1 0 370.247 2.914 10 5 FFBERO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000123756373 508734182 /nfs/dbraw/zinc/73/41/82/508734182.db2.gz JTCZVDVFXQTFGX-ZIAGYGMSSA-N 1 0 369.487 2.778 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137948929 508767356 /nfs/dbraw/zinc/76/73/56/508767356.db2.gz RMDJGELDHCXJNN-CYBMUJFWSA-N 1 0 367.471 2.547 10 5 FFBERO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189344299 509529904 /nfs/dbraw/zinc/52/99/04/509529904.db2.gz OQIJLXZQXGLOFE-HOTGVXAUSA-N 1 0 354.765 2.571 10 5 FFBERO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319805 509645579 /nfs/dbraw/zinc/64/55/79/509645579.db2.gz FSDIFAYIMUJUMS-IRXDYDNUSA-N 1 0 350.415 2.667 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000190438575 510131379 /nfs/dbraw/zinc/13/13/79/510131379.db2.gz UCURGTXZMYAGIX-INIZCTEOSA-N 1 0 369.425 2.976 10 5 FFBERO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171408938 510142027 /nfs/dbraw/zinc/14/20/27/510142027.db2.gz ZJBSXEMDYXTZLE-AWEZNQCLSA-N 1 0 373.413 2.570 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246674189 510611748 /nfs/dbraw/zinc/61/17/48/510611748.db2.gz IFKFKLVHOQKDBI-HNAYVOBHSA-N 1 0 368.437 2.559 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000247076281 510827317 /nfs/dbraw/zinc/82/73/17/510827317.db2.gz YVKYTVLNQBVNBY-AEFFLSMTSA-N 1 0 360.458 2.872 10 5 FFBERO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952280 512974816 /nfs/dbraw/zinc/97/48/16/512974816.db2.gz GCDQICCCCCLTPC-WBVHZDCISA-N 1 0 372.469 2.751 10 5 FFBERO [NH3+][C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000720894370 734380729 /nfs/dbraw/zinc/38/07/29/734380729.db2.gz UMTQYQRQQBIEAN-HTQZYQBOSA-N 1 0 354.126 2.683 10 5 FFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000588445468 965011593 /nfs/dbraw/zinc/01/15/93/965011593.db2.gz PTGTWCNQPMAAPB-XXTMNZORSA-N 1 0 361.442 2.567 10 5 FFBERO Cn1cc(C[N@@H+]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cn1 ZINC000112080548 508149240 /nfs/dbraw/zinc/14/92/40/508149240.db2.gz GSLCJFFZZNXSRX-UHFFFAOYSA-N 1 0 366.425 2.589 10 5 FFBERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000102683737 508281760 /nfs/dbraw/zinc/28/17/60/508281760.db2.gz TTWYFZNCMOJSCX-LBPRGKRZSA-N 1 0 357.366 2.921 10 5 FFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318346 508498363 /nfs/dbraw/zinc/49/83/63/508498363.db2.gz RPRAHEGLKOBBED-JSGCOSHPSA-N 1 0 368.397 2.929 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC000116928018 508571259 /nfs/dbraw/zinc/57/12/59/508571259.db2.gz OGIRAQMBQFINGT-HNNXBMFYSA-N 1 0 350.419 2.559 10 5 FFBERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839637 508899163 /nfs/dbraw/zinc/89/91/63/508899163.db2.gz NJNXWUOZGHQIGP-GOEBONIOSA-N 1 0 357.410 2.643 10 5 FFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000248373338 509278937 /nfs/dbraw/zinc/27/89/37/509278937.db2.gz ICAIXAUDQFONEB-KGLIPLIRSA-N 1 0 363.439 2.671 10 5 FFBERO CCCCOC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193382918 509890478 /nfs/dbraw/zinc/89/04/78/509890478.db2.gz GYJDIRAYNOXRAF-MRXNPFEDSA-N 1 0 352.431 2.616 10 5 FFBERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248026 510023546 /nfs/dbraw/zinc/02/35/46/510023546.db2.gz AWJNLJDGKIYUEC-HNNXBMFYSA-N 1 0 352.431 2.614 10 5 FFBERO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000268870615 510109626 /nfs/dbraw/zinc/10/96/26/510109626.db2.gz UERVSHGBOMNJBX-ZWNOBZJWSA-N 1 0 355.236 2.673 10 5 FFBERO Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190623754 510246166 /nfs/dbraw/zinc/24/61/66/510246166.db2.gz AKPMWJRRRSAPAS-QGZVFWFLSA-N 1 0 368.437 2.892 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190627421 510249307 /nfs/dbraw/zinc/24/93/07/510249307.db2.gz MKLLCRFPJCPEJT-MRXNPFEDSA-N 1 0 354.410 2.584 10 5 FFBERO CCCn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cn1 ZINC000174742484 510287092 /nfs/dbraw/zinc/28/70/92/510287092.db2.gz JVTRLKZFVBJQHA-UHFFFAOYSA-N 1 0 373.457 2.922 10 5 FFBERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246342712 510438274 /nfs/dbraw/zinc/43/82/74/510438274.db2.gz UZMIVVVMHDASLZ-CRAIPNDOSA-N 1 0 356.426 2.766 10 5 FFBERO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000191081426 510494436 /nfs/dbraw/zinc/49/44/36/510494436.db2.gz ODXBJTZUMXTNSD-VQTJNVASSA-N 1 0 372.421 2.568 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306253 510537760 /nfs/dbraw/zinc/53/77/60/510537760.db2.gz QKPCPTVLPKZTMJ-INIZCTEOSA-N 1 0 358.398 2.631 10 5 FFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181811330 510605930 /nfs/dbraw/zinc/60/59/30/510605930.db2.gz LUUYJERAWIAMDO-LLVKDONJSA-N 1 0 359.373 2.902 10 5 FFBERO Cc1ccc(Sc2ccc(CNC[C@@H]3C[NH2+]C[C@@H]3O)cc2[N+](=O)[O-])cc1 ZINC000263203979 510610619 /nfs/dbraw/zinc/61/06/19/510610619.db2.gz JMAKDRGKQWCFLN-QAPCUYQASA-N 1 0 373.478 2.724 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175438250 510648402 /nfs/dbraw/zinc/64/84/02/510648402.db2.gz NMFVUGCBYNVUAU-ZIAGYGMSSA-N 1 0 362.386 2.510 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000182081279 510746211 /nfs/dbraw/zinc/74/62/11/510746211.db2.gz ZPGGWAWQIRSOPF-HNNXBMFYSA-N 1 0 357.410 2.610 10 5 FFBERO Nc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1[N+](=O)[O-] ZINC000311703893 511778086 /nfs/dbraw/zinc/77/80/86/511778086.db2.gz UWZIBIQJWPVDAA-YQQAZPJKSA-N 1 0 353.426 2.895 10 5 FFBERO C[C@@H]1CCC[C@](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)([NH+](C)C)C1 ZINC000301083405 258024092 /nfs/dbraw/zinc/02/40/92/258024092.db2.gz KXYCAUVTORVDMF-XIKOKIGWSA-N 1 0 362.430 2.848 10 5 FFBERO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783500 506248781 /nfs/dbraw/zinc/24/87/81/506248781.db2.gz SFLMANDUAZEQSE-SECBINFHSA-N 1 0 351.204 2.704 10 5 FFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867074 507866551 /nfs/dbraw/zinc/86/65/51/507866551.db2.gz MSQDVLVZPKBRDU-MJGOQNOKSA-N 1 0 369.421 2.782 10 5 FFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)co2)cc1 ZINC000089901667 507881408 /nfs/dbraw/zinc/88/14/08/507881408.db2.gz MJEQIKIQWBRFRZ-CQSZACIVSA-N 1 0 368.397 2.754 10 5 FFBERO Cn1cc([C@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000128361974 508582929 /nfs/dbraw/zinc/58/29/29/508582929.db2.gz UINUYPTXBNAOOA-HNNXBMFYSA-N 1 0 366.425 2.718 10 5 FFBERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155129692 508929787 /nfs/dbraw/zinc/92/97/87/508929787.db2.gz RMIPBBITVBSZDZ-JTQLQIEISA-N 1 0 357.208 2.525 10 5 FFBERO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125112391 508932253 /nfs/dbraw/zinc/93/22/53/508932253.db2.gz VKKWQMMNQZZWAQ-CQSZACIVSA-N 1 0 355.460 2.675 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000176988184 509802703 /nfs/dbraw/zinc/80/27/03/509802703.db2.gz OSXKOZBBDZNYND-MRXNPFEDSA-N 1 0 360.458 2.751 10 5 FFBERO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000177038003 509831109 /nfs/dbraw/zinc/83/11/09/509831109.db2.gz JGAGOULLUMJCFJ-ZDUSSCGKSA-N 1 0 365.430 2.558 10 5 FFBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618477 510016786 /nfs/dbraw/zinc/01/67/86/510016786.db2.gz HXGBBIWBTYAHRA-JSGCOSHPSA-N 1 0 359.430 2.813 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190543782 510194827 /nfs/dbraw/zinc/19/48/27/510194827.db2.gz NTCUTCMBTOELGF-CQSZACIVSA-N 1 0 374.466 2.954 10 5 FFBERO CCOc1cc(N2CCC[N@H+](Cc3cnn(CC)c3)CC2)ccc1[N+](=O)[O-] ZINC000174915073 510384941 /nfs/dbraw/zinc/38/49/41/510384941.db2.gz HRHJIOVAPXBUQL-UHFFFAOYSA-N 1 0 373.457 2.922 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175040278 510453116 /nfs/dbraw/zinc/45/31/16/510453116.db2.gz HQLFJYWZZPTWRF-JKSUJKDBSA-N 1 0 360.458 2.790 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175045062 510456901 /nfs/dbraw/zinc/45/69/01/510456901.db2.gz HTSHFVFUFKLFQG-ZIAGYGMSSA-N 1 0 366.849 2.745 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000246609508 510582242 /nfs/dbraw/zinc/58/22/42/510582242.db2.gz ROCOZLYCQOIFOA-OLZOCXBDSA-N 1 0 362.386 2.510 10 5 FFBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178489687 510628182 /nfs/dbraw/zinc/62/81/82/510628182.db2.gz PMVCQUCTCBQPNQ-UHFFFAOYSA-N 1 0 368.231 2.668 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1SC ZINC000246802486 510681836 /nfs/dbraw/zinc/68/18/36/510681836.db2.gz BWHQMLHRIRXADC-NEPJUHHUSA-N 1 0 365.455 2.634 10 5 FFBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+](C2CC2)CC1 ZINC000172531488 510775791 /nfs/dbraw/zinc/77/57/91/510775791.db2.gz JVRRFPAHSHEXOX-UHFFFAOYSA-N 1 0 368.231 2.668 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1SC ZINC000247472854 510862145 /nfs/dbraw/zinc/86/21/45/510862145.db2.gz VLTYZZLLVCIEMG-WCQYABFASA-N 1 0 367.471 2.784 10 5 FFBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000382455477 512877779 /nfs/dbraw/zinc/87/77/79/512877779.db2.gz IVJBETIDBRHDHF-PSASIEDQSA-N 1 0 361.183 2.739 10 5 FFBERO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027701 512986152 /nfs/dbraw/zinc/98/61/52/512986152.db2.gz AVQHMPZZVCZDQJ-LSDHHAIUSA-N 1 0 370.247 2.575 10 5 FFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732418 249855564 /nfs/dbraw/zinc/85/55/64/249855564.db2.gz YZIXVSCHCIXPID-MSOLQXFVSA-N 1 0 367.453 2.965 10 5 FFBERO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3C[N@H+]3CCC[C@@H]3CO)ccc2c1 ZINC000301698790 258063644 /nfs/dbraw/zinc/06/36/44/258063644.db2.gz CLWRFSFWFRAZGL-IAGOWNOFSA-N 1 0 356.426 2.569 10 5 FFBERO CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCCO1 ZINC000106867465 507825414 /nfs/dbraw/zinc/82/54/14/507825414.db2.gz KZULWFFKNYYLRJ-QGZVFWFLSA-N 1 0 361.442 2.765 10 5 FFBERO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC([NH+]4CCCC4)CC3)o2)cc1 ZINC000076680084 508241267 /nfs/dbraw/zinc/24/12/67/508241267.db2.gz BXQSDKZYEHTFCO-UHFFFAOYSA-N 1 0 357.414 2.705 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116245786 508491936 /nfs/dbraw/zinc/49/19/36/508491936.db2.gz SPACSSLXGRKBTK-KXBFYZLASA-N 1 0 368.437 2.939 10 5 FFBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000123755945 508734084 /nfs/dbraw/zinc/73/40/84/508734084.db2.gz JTCZVDVFXQTFGX-OKILXGFUSA-N 1 0 369.487 2.778 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000162455792 509229307 /nfs/dbraw/zinc/22/93/07/509229307.db2.gz HMCYFQUYUFNKCH-CQSZACIVSA-N 1 0 362.430 2.620 10 5 FFBERO COc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000180126678 509765625 /nfs/dbraw/zinc/76/56/25/509765625.db2.gz BRMFNYRVMJSKHS-OAHLLOKOSA-N 1 0 360.414 2.782 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000177043172 509835274 /nfs/dbraw/zinc/83/52/74/509835274.db2.gz CTZCUOINRCRPDT-ZDUSSCGKSA-N 1 0 364.402 2.676 10 5 FFBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000245759814 510132909 /nfs/dbraw/zinc/13/29/09/510132909.db2.gz PLGMZCXASNTWDK-GJZGRUSLSA-N 1 0 359.426 2.742 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190544631 510195939 /nfs/dbraw/zinc/19/59/39/510195939.db2.gz OLRNPFLYSXMQGP-AWEZNQCLSA-N 1 0 374.466 2.954 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190640705 510254787 /nfs/dbraw/zinc/25/47/87/510254787.db2.gz IPUJIZLNYDDSCC-CQSZACIVSA-N 1 0 360.439 2.645 10 5 FFBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000174736271 510281913 /nfs/dbraw/zinc/28/19/13/510281913.db2.gz XLWGLBNNYLYYSY-LBPRGKRZSA-N 1 0 359.373 2.743 10 5 FFBERO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178677291 510716175 /nfs/dbraw/zinc/71/61/75/510716175.db2.gz GGEGGAZGOHBTGO-IUODEOHRSA-N 1 0 350.419 2.506 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182272507 510840795 /nfs/dbraw/zinc/84/07/95/510840795.db2.gz HGOORJJXNQEJNM-GFCCVEGCSA-N 1 0 357.357 2.753 10 5 FFBERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375872501 512546953 /nfs/dbraw/zinc/54/69/53/512546953.db2.gz FRQBTYXKAAAKSW-KBPBESRZSA-N 1 0 362.386 2.592 10 5 FFBERO C[C@H]1[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814521 512586399 /nfs/dbraw/zinc/58/63/99/512586399.db2.gz FBQNREOLPRPMAL-RHSMWYFYSA-N 1 0 359.426 2.591 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([NH+]2CCCC2)CC1 ZINC000104080281 250167620 /nfs/dbraw/zinc/16/76/20/250167620.db2.gz HDCBDHOFQFBLAO-UHFFFAOYSA-N 1 0 360.458 2.792 10 5 FFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)o1 ZINC000106380420 250268366 /nfs/dbraw/zinc/26/83/66/250268366.db2.gz WULCPGPUXZTTHA-MRXNPFEDSA-N 1 0 357.410 2.808 10 5 FFBERO COC[C@@H](C)[NH+]1CCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301233696 258035364 /nfs/dbraw/zinc/03/53/64/258035364.db2.gz KRJBIRBIKAIWAZ-OAHLLOKOSA-N 1 0 371.441 2.517 10 5 FFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000301988663 258080332 /nfs/dbraw/zinc/08/03/32/258080332.db2.gz NYYQODYWSKYBSF-INIZCTEOSA-N 1 0 360.458 2.799 10 5 FFBERO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCCO1 ZINC000106866507 507825092 /nfs/dbraw/zinc/82/50/92/507825092.db2.gz YTBXHTBXNWOUAJ-KRWDZBQOSA-N 1 0 361.442 2.765 10 5 FFBERO O=C(c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000112077229 508149297 /nfs/dbraw/zinc/14/92/97/508149297.db2.gz KWSPIBNGHIXGSI-MRXNPFEDSA-N 1 0 358.442 2.505 10 5 FFBERO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000113317957 508260895 /nfs/dbraw/zinc/26/08/95/508260895.db2.gz NRSGNVHCJRNCQK-ZDUSSCGKSA-N 1 0 362.455 2.529 10 5 FFBERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123515469 508699311 /nfs/dbraw/zinc/69/93/11/508699311.db2.gz SKKHNSNQXXRIRW-KRWDZBQOSA-N 1 0 359.426 2.743 10 5 FFBERO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000126973672 509154496 /nfs/dbraw/zinc/15/44/96/509154496.db2.gz RRBTUICLUFRAPR-NEBZKDRISA-N 1 0 362.348 2.700 10 5 FFBERO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000173271309 509492628 /nfs/dbraw/zinc/49/26/28/509492628.db2.gz ZAGZKDCKGUFOMR-NEPJUHHUSA-N 1 0 370.837 2.557 10 5 FFBERO C[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043158 509723335 /nfs/dbraw/zinc/72/33/35/509723335.db2.gz CCHLVXOBTJPPFA-OXQOHEQNSA-N 1 0 355.438 2.995 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245440727 509936302 /nfs/dbraw/zinc/93/63/02/509936302.db2.gz UVDUDMHEEQISOR-HOCLYGCPSA-N 1 0 357.414 2.703 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000190450788 510139563 /nfs/dbraw/zinc/13/95/63/510139563.db2.gz DBUWZNBORDZKHY-OAHLLOKOSA-N 1 0 371.397 2.856 10 5 FFBERO O=C1CC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000245917619 510204821 /nfs/dbraw/zinc/20/48/21/510204821.db2.gz WHYJJVFLQQQGLA-KXBFYZLASA-N 1 0 373.453 2.839 10 5 FFBERO CCOc1cc(N(C)C2CC[NH+](CCn3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000181050715 510257524 /nfs/dbraw/zinc/25/75/24/510257524.db2.gz KEGWDHOKGFAWKT-UHFFFAOYSA-N 1 0 373.457 2.791 10 5 FFBERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194506259 510398669 /nfs/dbraw/zinc/39/86/69/510398669.db2.gz OBWCAOFERWHHNL-CQSZACIVSA-N 1 0 372.381 2.880 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175041720 510454917 /nfs/dbraw/zinc/45/49/17/510454917.db2.gz IVNPCOHICHNDGI-TZMCWYRMSA-N 1 0 366.849 2.745 10 5 FFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Br ZINC000181567314 510477304 /nfs/dbraw/zinc/47/73/04/510477304.db2.gz NCIWMAWGZAVBNR-LLVKDONJSA-N 1 0 366.215 2.870 10 5 FFBERO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)o2)c1 ZINC000172044052 510514072 /nfs/dbraw/zinc/51/40/72/510514072.db2.gz RUPUEFWOGCBRED-RTHVDDQRSA-N 1 0 357.410 2.885 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246616730 510585597 /nfs/dbraw/zinc/58/55/97/510585597.db2.gz DVQDCTYODPXJGB-HNAYVOBHSA-N 1 0 361.442 2.859 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247029211 510807601 /nfs/dbraw/zinc/80/76/01/510807601.db2.gz GGKMQPKBAQRGEM-RDJZCZTQSA-N 1 0 372.469 2.506 10 5 FFBERO Nc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1[N+](=O)[O-] ZINC000311703896 511777769 /nfs/dbraw/zinc/77/77/69/511777769.db2.gz UWZIBIQJWPVDAA-ZMSDIMECSA-N 1 0 353.426 2.895 10 5 FFBERO [NH3+]CC[C@H](Nc1ccc(I)cc1[N+](=O)[O-])C(F)F ZINC000383527479 512882223 /nfs/dbraw/zinc/88/22/23/512882223.db2.gz XWKSNKLRVGKMQO-QMMMGPOBSA-N 1 0 371.125 2.594 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159081929 728900228 /nfs/dbraw/zinc/90/02/28/728900228.db2.gz GQULQIKYZISFFK-SNVBAGLBSA-N 1 0 356.220 2.571 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000174533385 729073883 /nfs/dbraw/zinc/07/38/83/729073883.db2.gz NZCFTKYNICJZQW-GFCCVEGCSA-N 1 0 370.247 2.914 10 5 FFBERO COc1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1OC ZINC000092812644 250002257 /nfs/dbraw/zinc/00/22/57/250002257.db2.gz DWMXLBBPJFBFHL-CQSZACIVSA-N 1 0 372.425 2.941 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1SC ZINC000103069994 250133393 /nfs/dbraw/zinc/13/33/93/250133393.db2.gz JGBMWMIARWYCIV-LBPRGKRZSA-N 1 0 367.471 2.930 10 5 FFBERO CCc1csc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523708 507925543 /nfs/dbraw/zinc/92/55/43/507925543.db2.gz FZGVTVJQPWKDPO-CYBMUJFWSA-N 1 0 362.455 2.655 10 5 FFBERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178405 509145623 /nfs/dbraw/zinc/14/56/23/509145623.db2.gz JXSDWHOUTSKKMN-IAGOWNOFSA-N 1 0 361.442 2.863 10 5 FFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000182336530 509181798 /nfs/dbraw/zinc/18/17/98/509181798.db2.gz KYUWSCCBDBPIIW-GOEBONIOSA-N 1 0 371.441 2.791 10 5 FFBERO CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352242 509189072 /nfs/dbraw/zinc/18/90/72/509189072.db2.gz LLLHLSYNDLCHKZ-QGZVFWFLSA-N 1 0 366.893 2.850 10 5 FFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000182375555 509201520 /nfs/dbraw/zinc/20/15/20/509201520.db2.gz UCHRXVRMDRMXMB-GWCFXTLKSA-N 1 0 357.357 2.655 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245520587 509981833 /nfs/dbraw/zinc/98/18/33/509981833.db2.gz JSLBDQDGJZBYQD-JQWIXIFHSA-N 1 0 355.341 2.505 10 5 FFBERO Cc1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000190589146 510225654 /nfs/dbraw/zinc/22/56/54/510225654.db2.gz DGOSQDJHUKXGQK-QGZVFWFLSA-N 1 0 368.437 2.892 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175041738 510455044 /nfs/dbraw/zinc/45/50/44/510455044.db2.gz IVNPCOHICHNDGI-GXTWGEPZSA-N 1 0 366.849 2.745 10 5 FFBERO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027692 512986673 /nfs/dbraw/zinc/98/66/73/512986673.db2.gz AVQHMPZZVCZDQJ-CABCVRRESA-N 1 0 370.247 2.575 10 5 FFBERO [NH3+][C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000041030297 249378260 /nfs/dbraw/zinc/37/82/60/249378260.db2.gz ZESKJDSNLWGAKF-JTQLQIEISA-N 1 0 351.204 2.833 10 5 FFBERO CC(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301365338 258045256 /nfs/dbraw/zinc/04/52/56/258045256.db2.gz NHSUIDQBRBGPCT-UHFFFAOYSA-N 1 0 362.430 2.720 10 5 FFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000068222932 507154058 /nfs/dbraw/zinc/15/40/58/507154058.db2.gz CLMKCNSULILULA-MRXNPFEDSA-N 1 0 362.474 2.901 10 5 FFBERO COCC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000106107052 508394070 /nfs/dbraw/zinc/39/40/70/508394070.db2.gz TUWAUKQHUJJPCG-HNNXBMFYSA-N 1 0 351.447 2.535 10 5 FFBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@@H](Cn4cccn4)C3)o2)c1 ZINC000122255537 508507417 /nfs/dbraw/zinc/50/74/17/508507417.db2.gz RVIIZGDHNSFZJS-GOSISDBHSA-N 1 0 368.393 2.952 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116764594 508557106 /nfs/dbraw/zinc/55/71/06/508557106.db2.gz LFMOLASNCFSYJB-GXTWGEPZSA-N 1 0 367.833 2.712 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122664174 508569076 /nfs/dbraw/zinc/56/90/76/508569076.db2.gz XDEZFYCTRWKHFP-CMPLNLGQSA-N 1 0 368.231 2.666 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000155774636 509069503 /nfs/dbraw/zinc/06/95/03/509069503.db2.gz KPWXFUDKALYAAF-OCCSQVGLSA-N 1 0 369.849 2.862 10 5 FFBERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000188993383 509358634 /nfs/dbraw/zinc/35/86/34/509358634.db2.gz DILUDFKYCLIUNZ-GXFFZTMASA-N 1 0 367.377 2.810 10 5 FFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H](C)C1 ZINC000192384532 509495187 /nfs/dbraw/zinc/49/51/87/509495187.db2.gz CQWLYMXFPOJAAF-JQWIXIFHSA-N 1 0 370.247 2.816 10 5 FFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000173318716 509529120 /nfs/dbraw/zinc/52/91/20/509529120.db2.gz OXLDGQRETUJSKJ-INIZCTEOSA-N 1 0 373.413 2.503 10 5 FFBERO CCCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000179711817 509585782 /nfs/dbraw/zinc/58/57/82/509585782.db2.gz YJXPWCKUIGFVIK-ZDUSSCGKSA-N 1 0 359.430 2.521 10 5 FFBERO Cc1ccc(N2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000255425633 509925738 /nfs/dbraw/zinc/92/57/38/509925738.db2.gz XBGSCZDDUJNCJC-DAXSKMNVSA-N 1 0 353.426 2.919 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000190438598 510131248 /nfs/dbraw/zinc/13/12/48/510131248.db2.gz UCURGTXZMYAGIX-MRXNPFEDSA-N 1 0 369.425 2.976 10 5 FFBERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261992963 510141868 /nfs/dbraw/zinc/14/18/68/510141868.db2.gz RULUPOYWMLPMKW-ZYHUDNBSSA-N 1 0 374.363 2.517 10 5 FFBERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000194347013 510323318 /nfs/dbraw/zinc/32/33/18/510323318.db2.gz YYCLLWWQBIKNHH-JTQLQIEISA-N 1 0 358.345 2.802 10 5 FFBERO C[C@@H]1C[N@@H+](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCO1 ZINC000172179957 510586439 /nfs/dbraw/zinc/58/64/39/510586439.db2.gz YLPSSYHSHDHBRA-CYBMUJFWSA-N 1 0 353.850 2.933 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000247281429 510855270 /nfs/dbraw/zinc/85/52/70/510855270.db2.gz SEQVZCBCLFGJPB-TZMCWYRMSA-N 1 0 360.439 2.692 10 5 FFBERO C[C@H]1CCCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952279 512974895 /nfs/dbraw/zinc/97/48/95/512974895.db2.gz GCDQICCCCCLTPC-RDJZCZTQSA-N 1 0 372.469 2.751 10 5 FFBERO [NH3+]C[C@H]1CCC[C@@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC000097351181 209178917 /nfs/dbraw/zinc/17/89/17/209178917.db2.gz UBCVIEKZGBQFNB-KCJUWKMLSA-N 1 0 362.167 2.706 10 5 FFBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000117784786 250362491 /nfs/dbraw/zinc/36/24/91/250362491.db2.gz DWGHZYBXWCKTNI-UHFFFAOYSA-N 1 0 351.834 2.878 10 5 FFBERO COC(=O)c1cnc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000302789232 258110737 /nfs/dbraw/zinc/11/07/37/258110737.db2.gz XVYVZKGQBOSURX-OAHLLOKOSA-N 1 0 362.430 2.621 10 5 FFBERO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000051385442 507768286 /nfs/dbraw/zinc/76/82/86/507768286.db2.gz QJKQEYUDONLLJV-AWEZNQCLSA-N 1 0 358.423 2.639 10 5 FFBERO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000133717247 508439052 /nfs/dbraw/zinc/43/90/52/508439052.db2.gz UNRXEYQIXWCGAS-UHFFFAOYSA-N 1 0 373.450 2.537 10 5 FFBERO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000116634665 508540961 /nfs/dbraw/zinc/54/09/61/508540961.db2.gz JRGXVJADYWPJGG-AWEZNQCLSA-N 1 0 367.833 2.714 10 5 FFBERO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000131488712 508939431 /nfs/dbraw/zinc/93/94/31/508939431.db2.gz VDCIOZDIWUDRKD-CYBMUJFWSA-N 1 0 350.419 2.699 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000179707808 509584063 /nfs/dbraw/zinc/58/40/63/509584063.db2.gz RFYXGTMCGOXLAZ-LBPRGKRZSA-N 1 0 360.389 2.566 10 5 FFBERO COc1ccc(OCC[NH+]2CCC(Cn3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000173694114 509725618 /nfs/dbraw/zinc/72/56/18/509725618.db2.gz YGVNHGWLMCJITP-UHFFFAOYSA-N 1 0 360.414 2.591 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173788593 509778758 /nfs/dbraw/zinc/77/87/58/509778758.db2.gz IFKFKLVHOQKDBI-BEFAXECRSA-N 1 0 368.437 2.559 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000245720701 510105216 /nfs/dbraw/zinc/10/52/16/510105216.db2.gz HXNLAVDGFLOJMT-CYBMUJFWSA-N 1 0 373.400 2.739 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000190450770 510138690 /nfs/dbraw/zinc/13/86/90/510138690.db2.gz DBUWZNBORDZKHY-HNNXBMFYSA-N 1 0 371.397 2.856 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181566582 510477036 /nfs/dbraw/zinc/47/70/36/510477036.db2.gz PHWOIAULMWPSTL-CHWSQXEVSA-N 1 0 363.439 2.962 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299986 510771931 /nfs/dbraw/zinc/77/19/31/510771931.db2.gz GUZXBCRSROYVRM-GOSISDBHSA-N 1 0 370.453 2.823 10 5 FFBERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cn1 ZINC000182143691 510778882 /nfs/dbraw/zinc/77/88/82/510778882.db2.gz IOCALSSJXRLRCR-UHFFFAOYSA-N 1 0 363.849 2.690 10 5 FFBERO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247325612 510857069 /nfs/dbraw/zinc/85/70/69/510857069.db2.gz XRJMBPDFAKXKAH-RDTXWAMCSA-N 1 0 368.437 2.939 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375872507 512546835 /nfs/dbraw/zinc/54/68/35/512546835.db2.gz FRQBTYXKAAAKSW-ZIAGYGMSSA-N 1 0 362.386 2.592 10 5 FFBERO [NH3+]CCCOC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000094073307 728479629 /nfs/dbraw/zinc/47/96/29/728479629.db2.gz FDWMIZHQRMHQGR-UHFFFAOYSA-N 1 0 358.236 2.692 10 5 FFBERO Cc1ccc(N2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000093151347 250021226 /nfs/dbraw/zinc/02/12/26/250021226.db2.gz XBGSCZDDUJNCJC-QPJJXVBHSA-N 1 0 353.426 2.919 10 5 FFBERO Cc1cccc(Nc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])c1 ZINC000040648558 208261636 /nfs/dbraw/zinc/26/16/36/208261636.db2.gz SKHKRYNOZOSEKN-UHFFFAOYSA-N 1 0 356.430 2.967 10 5 FFBERO Cc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302026804 258082983 /nfs/dbraw/zinc/08/29/83/258082983.db2.gz QNDDBXWVNYTEIZ-OAHLLOKOSA-N 1 0 372.469 2.980 10 5 FFBERO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000107261827 507840172 /nfs/dbraw/zinc/84/01/72/507840172.db2.gz GVSVJVMMTRNLGG-UHFFFAOYSA-N 1 0 367.409 2.675 10 5 FFBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000106101527 508392854 /nfs/dbraw/zinc/39/28/54/508392854.db2.gz RMIGUYJQHPRLAW-NVXWUHKLSA-N 1 0 365.474 2.659 10 5 FFBERO COc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])cc1F ZINC000132926141 509092821 /nfs/dbraw/zinc/09/28/21/509092821.db2.gz LURQPEHAINAEEC-DOTOQJQBSA-N 1 0 367.421 2.922 10 5 FFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248760801 509474020 /nfs/dbraw/zinc/47/40/20/509474020.db2.gz JOOOIYZFZJBGPL-WBVHZDCISA-N 1 0 368.437 2.939 10 5 FFBERO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000179503492 509483480 /nfs/dbraw/zinc/48/34/80/509483480.db2.gz POPQPVAJXLERFW-VMLCMGRWSA-N 1 0 367.449 2.959 10 5 FFBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000192871520 509679529 /nfs/dbraw/zinc/67/95/29/509679529.db2.gz YQGHTUUZLZHKND-INIZCTEOSA-N 1 0 369.421 2.950 10 5 FFBERO O=c1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000173983235 509889199 /nfs/dbraw/zinc/88/91/99/509889199.db2.gz JPXHVUJIDDXWPI-SFHVURJKSA-N 1 0 364.445 2.853 10 5 FFBERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183669148 509917453 /nfs/dbraw/zinc/91/74/53/509917453.db2.gz DFPLLKVXPUPVTR-MEDUHNTESA-N 1 0 363.801 2.898 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245459599 509948886 /nfs/dbraw/zinc/94/88/86/509948886.db2.gz DOTKZSOIKSIEQV-TZMCWYRMSA-N 1 0 368.865 2.991 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190573998 510216297 /nfs/dbraw/zinc/21/62/97/510216297.db2.gz FAGSUCVYMBWRFM-GOSISDBHSA-N 1 0 368.437 2.513 10 5 FFBERO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000190797447 510349624 /nfs/dbraw/zinc/34/96/24/510349624.db2.gz MEFKWRITJTXFKN-UHFFFAOYSA-N 1 0 350.415 2.511 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175043220 510454938 /nfs/dbraw/zinc/45/49/38/510454938.db2.gz YJSVWGMRAKEWEG-NVXWUHKLSA-N 1 0 360.458 2.790 10 5 FFBERO CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000117436137 728578438 /nfs/dbraw/zinc/57/84/38/728578438.db2.gz LNUKCFQBYYUVKM-CYBMUJFWSA-N 1 0 370.837 2.823 10 5 FFBERO C[NH2+][C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000133108561 728726257 /nfs/dbraw/zinc/72/62/57/728726257.db2.gz ORJDYOZBHYHSRU-JTQLQIEISA-N 1 0 351.204 2.704 10 5 FFBERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000106225728 250258900 /nfs/dbraw/zinc/25/89/00/250258900.db2.gz RRAMOKRQTXKYGF-HNNXBMFYSA-N 1 0 357.414 2.765 10 5 FFBERO CCN(CC)c1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000040608011 208259327 /nfs/dbraw/zinc/25/93/27/208259327.db2.gz UHYGSFZFJZZCFL-UHFFFAOYSA-N 1 0 350.467 2.952 10 5 FFBERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303852 507842760 /nfs/dbraw/zinc/84/27/60/507842760.db2.gz MHPFEGSOQKNADE-CJNGLKHVSA-N 1 0 356.430 2.746 10 5 FFBERO Cn1cc([C@@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000153929980 508679518 /nfs/dbraw/zinc/67/95/18/508679518.db2.gz HKVGBDSBYMQRFG-CQSZACIVSA-N 1 0 353.382 2.973 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160533868 508999476 /nfs/dbraw/zinc/99/94/76/508999476.db2.gz YTTKRXHWSIMSCN-UHFFFAOYSA-N 1 0 357.414 2.835 10 5 FFBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782432 509081963 /nfs/dbraw/zinc/08/19/63/509081963.db2.gz OAUBAUOTASBPRK-UZLBHIALSA-N 1 0 369.465 2.973 10 5 FFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173318730 509529093 /nfs/dbraw/zinc/52/90/93/509529093.db2.gz OXLDGQRETUJSKJ-MRXNPFEDSA-N 1 0 373.413 2.503 10 5 FFBERO O=C(c1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264916566 509774147 /nfs/dbraw/zinc/77/41/47/509774147.db2.gz KWSPIBNGHIXGSI-INIZCTEOSA-N 1 0 358.442 2.505 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190591096 510226969 /nfs/dbraw/zinc/22/69/69/510226969.db2.gz NFQWDWJTHGLCGY-SFHVURJKSA-N 1 0 368.437 2.513 10 5 FFBERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246296679 510411960 /nfs/dbraw/zinc/41/19/60/510411960.db2.gz PIOAISFIRDQQTC-QFBILLFUSA-N 1 0 369.421 2.979 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000174974067 510414578 /nfs/dbraw/zinc/41/45/78/510414578.db2.gz YVKYTVLNQBVNBY-SJLPKXTDSA-N 1 0 360.458 2.872 10 5 FFBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346430 510682365 /nfs/dbraw/zinc/68/23/65/510682365.db2.gz WRFCADPLSZHNBB-LBPRGKRZSA-N 1 0 366.849 2.745 10 5 FFBERO COCC1(CNc2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261672152 729651735 /nfs/dbraw/zinc/65/17/35/729651735.db2.gz LNONYARQBKNHBW-UHFFFAOYSA-N 1 0 358.236 2.785 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707800 250310479 /nfs/dbraw/zinc/31/04/79/250310479.db2.gz MPJJRKPABFXKCW-MRXNPFEDSA-N 1 0 367.471 2.542 10 5 FFBERO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCCC1 ZINC000302147256 258091161 /nfs/dbraw/zinc/09/11/61/258091161.db2.gz INYLBNUQXNAOGD-UHFFFAOYSA-N 1 0 355.460 2.532 10 5 FFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732213 507859841 /nfs/dbraw/zinc/85/98/41/507859841.db2.gz LDRZLROGBJPGLI-NVXWUHKLSA-N 1 0 355.442 2.965 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000113233553 508253231 /nfs/dbraw/zinc/25/32/31/508253231.db2.gz TVDROXUQFPOEJR-GOEBONIOSA-N 1 0 358.442 2.504 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000127869847 508513644 /nfs/dbraw/zinc/51/36/44/508513644.db2.gz AHBFIEGXGZDING-DLBZAZTESA-N 1 0 357.414 2.812 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154132485 508722680 /nfs/dbraw/zinc/72/26/80/508722680.db2.gz OTDUBNDYPYAOQS-ZDUSSCGKSA-N 1 0 370.247 2.914 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160382021 508978308 /nfs/dbraw/zinc/97/83/08/508978308.db2.gz UVBJHSRTEQOKNY-QGZVFWFLSA-N 1 0 371.441 2.631 10 5 FFBERO COc1ccc2oc(C[NH2+][C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000125583280 509003176 /nfs/dbraw/zinc/00/31/76/509003176.db2.gz LDAVYDVIKHRZCZ-PKOBYXMFSA-N 1 0 372.377 2.534 10 5 FFBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782512 509081807 /nfs/dbraw/zinc/08/18/07/509081807.db2.gz OAUBAUOTASBPRK-JXFKEZNVSA-N 1 0 369.465 2.973 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182375536 509201550 /nfs/dbraw/zinc/20/15/50/509201550.db2.gz UCHRXVRMDRMXMB-MFKMUULPSA-N 1 0 357.357 2.655 10 5 FFBERO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000179400523 509423374 /nfs/dbraw/zinc/42/33/74/509423374.db2.gz FLAOGZKIJBHVAG-ZDUSSCGKSA-N 1 0 368.397 2.820 10 5 FFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCSCc1ccccc1 ZINC000169346443 509658644 /nfs/dbraw/zinc/65/86/44/509658644.db2.gz FFNJTKBGIAURHR-INIZCTEOSA-N 1 0 362.451 2.858 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177005102 509814568 /nfs/dbraw/zinc/81/45/68/509814568.db2.gz DYTOOKWKDRVFPS-KRWDZBQOSA-N 1 0 374.485 2.754 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306270 510537870 /nfs/dbraw/zinc/53/78/70/510537870.db2.gz QKPCPTVLPKZTMJ-MRXNPFEDSA-N 1 0 358.398 2.631 10 5 FFBERO O=C(CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181746177 510571847 /nfs/dbraw/zinc/57/18/47/510571847.db2.gz MLPZMWJUFJYZPP-OAHLLOKOSA-N 1 0 374.372 2.611 10 5 FFBERO COc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191366380 510624627 /nfs/dbraw/zinc/62/46/27/510624627.db2.gz GHXVSEVOZCOKHM-INIZCTEOSA-N 1 0 357.410 2.945 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273822 510751662 /nfs/dbraw/zinc/75/16/62/510751662.db2.gz ZBNVNOGFHONGEM-QGZVFWFLSA-N 1 0 370.453 2.952 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172496654 510754843 /nfs/dbraw/zinc/75/48/43/510754843.db2.gz IQPATHVHVFDOFZ-CRAIPNDOSA-N 1 0 360.458 2.796 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247284126 510855413 /nfs/dbraw/zinc/85/54/13/510855413.db2.gz SPACSSLXGRKBTK-DNVCBOLYSA-N 1 0 368.437 2.939 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000247485374 510862756 /nfs/dbraw/zinc/86/27/56/510862756.db2.gz TVDROXUQFPOEJR-HOCLYGCPSA-N 1 0 358.442 2.504 10 5 FFBERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000382455484 512878151 /nfs/dbraw/zinc/87/81/51/512878151.db2.gz IVJBETIDBRHDHF-SCZZXKLOSA-N 1 0 361.183 2.739 10 5 FFBERO Cc1c(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cccc1[N+](=O)[O-] ZINC000106150186 250243528 /nfs/dbraw/zinc/24/35/28/250243528.db2.gz ADSVZTGXMBUMGJ-UHFFFAOYSA-N 1 0 371.441 2.872 10 5 FFBERO C[N@@H+]1CCO[C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000301668769 258062131 /nfs/dbraw/zinc/06/21/31/258062131.db2.gz PKVTXQNBVUTNKY-OLZOCXBDSA-N 1 0 365.739 2.786 10 5 FFBERO C[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000301668768 258062269 /nfs/dbraw/zinc/06/22/69/258062269.db2.gz PKVTXQNBVUTNKY-CHWSQXEVSA-N 1 0 365.739 2.786 10 5 FFBERO [NH3+]C[C@@H]1CCC[C@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC000097351183 222175721 /nfs/dbraw/zinc/17/57/21/222175721.db2.gz UBCVIEKZGBQFNB-GZMMTYOYSA-N 1 0 362.167 2.706 10 5 FFBERO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000051385441 507767554 /nfs/dbraw/zinc/76/75/54/507767554.db2.gz QJKQEYUDONLLJV-CQSZACIVSA-N 1 0 358.423 2.639 10 5 FFBERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303850 507842726 /nfs/dbraw/zinc/84/27/26/507842726.db2.gz MHPFEGSOQKNADE-BBRMVZONSA-N 1 0 356.430 2.746 10 5 FFBERO O=C1[C@@H](N2CCC(C[NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132317 507941635 /nfs/dbraw/zinc/94/16/35/507941635.db2.gz WCZNRJXQYOAHPB-IBGZPJMESA-N 1 0 372.469 2.508 10 5 FFBERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153611661 508607440 /nfs/dbraw/zinc/60/74/40/508607440.db2.gz YZQDVDLZXNFJTK-CQSZACIVSA-N 1 0 362.430 2.620 10 5 FFBERO COc1ccc2oc(C[NH2+][C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000125583989 509003107 /nfs/dbraw/zinc/00/31/07/509003107.db2.gz LDAVYDVIKHRZCZ-MJGOQNOKSA-N 1 0 372.377 2.534 10 5 FFBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000120882448 509082777 /nfs/dbraw/zinc/08/27/77/509082777.db2.gz BVRQMIYEWUMHIV-GOSISDBHSA-N 1 0 360.458 2.797 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121382092 509170826 /nfs/dbraw/zinc/17/08/26/509170826.db2.gz GOVLNBXEPRZTGZ-ZWNOBZJWSA-N 1 0 368.231 2.666 10 5 FFBERO O=C(CC[N@@H+]1CCCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183827454 509994658 /nfs/dbraw/zinc/99/46/58/509994658.db2.gz HLMAGOQHTNOLAC-UHFFFAOYSA-N 1 0 369.425 2.531 10 5 FFBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000245690661 510088296 /nfs/dbraw/zinc/08/82/96/510088296.db2.gz BHFQKKAFUHLNOQ-CABCVRRESA-N 1 0 359.426 2.742 10 5 FFBERO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000177947330 510342428 /nfs/dbraw/zinc/34/24/28/510342428.db2.gz DUTBLWOMEUBCTJ-CYBMUJFWSA-N 1 0 353.850 2.933 10 5 FFBERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195328083 510786967 /nfs/dbraw/zinc/78/69/67/510786967.db2.gz MNLDOUIKEKSRTM-CQSZACIVSA-N 1 0 360.439 2.838 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000407971943 512977803 /nfs/dbraw/zinc/97/78/03/512977803.db2.gz KDTPJSDOZJPQKV-UHFFFAOYSA-N 1 0 367.471 2.542 10 5 FFBERO [NH3+][C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(F)(F)F ZINC000720895446 734380445 /nfs/dbraw/zinc/38/04/45/734380445.db2.gz YLTXIKFXQGZMGV-VXNVDRBHSA-N 1 0 354.126 2.683 10 5 FFBERO C[C@@H]1C[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301970314 258078495 /nfs/dbraw/zinc/07/84/95/258078495.db2.gz RFPGFZAVIGCOSW-ZBFHGGJFSA-N 1 0 366.425 2.960 10 5 FFBERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000123559323 508705962 /nfs/dbraw/zinc/70/59/62/508705962.db2.gz LISPMDDRYDMONR-KRWDZBQOSA-N 1 0 359.426 2.743 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000155643552 509043445 /nfs/dbraw/zinc/04/34/45/509043445.db2.gz XCPBGJFGWSYHFW-YGRLFVJLSA-N 1 0 370.247 2.816 10 5 FFBERO Cc1c([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788095 509083477 /nfs/dbraw/zinc/08/34/77/509083477.db2.gz COTLWQBJUWKGRR-LPHOPBHVSA-N 1 0 369.465 2.973 10 5 FFBERO CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357668 509193523 /nfs/dbraw/zinc/19/35/23/509193523.db2.gz KRODVNBJUUHTMO-DLBZAZTESA-N 1 0 371.441 2.873 10 5 FFBERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000189011668 509367840 /nfs/dbraw/zinc/36/78/40/509367840.db2.gz NPLKBNHJUGEWPL-RISCZKNCSA-N 1 0 367.377 2.810 10 5 FFBERO CCn1cc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000183333269 509722928 /nfs/dbraw/zinc/72/29/28/509722928.db2.gz LMMAKNKDYUEJEH-UHFFFAOYSA-N 1 0 357.458 2.828 10 5 FFBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c2c(c1)COCO2 ZINC000171646850 510274397 /nfs/dbraw/zinc/27/43/97/510274397.db2.gz HXTUGTYPLQLXPD-CQSZACIVSA-N 1 0 370.409 2.790 10 5 FFBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1CCOC ZINC000174737310 510279986 /nfs/dbraw/zinc/27/99/86/510279986.db2.gz RFKPLMDUZUMKJY-GFCCVEGCSA-N 1 0 359.373 2.743 10 5 FFBERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222394 510495065 /nfs/dbraw/zinc/49/50/65/510495065.db2.gz TYEQHUFZHDWWNZ-CJNGLKHVSA-N 1 0 356.430 2.746 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000175167345 510514433 /nfs/dbraw/zinc/51/44/33/510514433.db2.gz ZDZWPRDVMJQDMZ-MRXNPFEDSA-N 1 0 360.458 2.751 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246531918 510539480 /nfs/dbraw/zinc/53/94/80/510539480.db2.gz AJXRZHLGXAOZMU-HNAYVOBHSA-N 1 0 361.442 2.859 10 5 FFBERO Cc1ccc(Sc2ccc(CNC[C@@H]3C[NH2+]C[C@H]3O)cc2[N+](=O)[O-])cc1 ZINC000263203977 510610565 /nfs/dbraw/zinc/61/05/65/510610565.db2.gz JMAKDRGKQWCFLN-CRAIPNDOSA-N 1 0 373.478 2.724 10 5 FFBERO Nc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1[N+](=O)[O-] ZINC000311703887 511778123 /nfs/dbraw/zinc/77/81/23/511778123.db2.gz UWZIBIQJWPVDAA-BFYDXBDKSA-N 1 0 353.426 2.895 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155112290 728820888 /nfs/dbraw/zinc/82/08/88/728820888.db2.gz OTXLPOCDCHJVJN-LLVKDONJSA-N 1 0 371.235 2.963 10 5 FFBERO Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137105101 728740071 /nfs/dbraw/zinc/74/00/71/728740071.db2.gz JTMVKBSLDURSDR-GFCCVEGCSA-N 1 0 352.391 2.518 10 5 FFBERO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000106080043 250233170 /nfs/dbraw/zinc/23/31/70/250233170.db2.gz ZJTDRZRBDFOPRU-UHFFFAOYSA-N 1 0 357.414 2.730 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598450 258058008 /nfs/dbraw/zinc/05/80/08/258058008.db2.gz TYIIMYGVEGJWSE-MNOVXSKESA-N 1 0 355.236 2.815 10 5 FFBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605243 507627511 /nfs/dbraw/zinc/62/75/11/507627511.db2.gz IFSPINWGQHPROC-UHFFFAOYSA-N 1 0 358.442 2.505 10 5 FFBERO Cn1ccnc1CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000121922916 508449484 /nfs/dbraw/zinc/44/94/84/508449484.db2.gz UWRAEXHLOWYIKC-UHFFFAOYSA-N 1 0 372.425 2.579 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116764593 508556596 /nfs/dbraw/zinc/55/65/96/508556596.db2.gz LFMOLASNCFSYJB-TZMCWYRMSA-N 1 0 367.833 2.712 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182641952 509346950 /nfs/dbraw/zinc/34/69/50/509346950.db2.gz OTXONTMVUPLZOP-GFCCVEGCSA-N 1 0 357.863 2.941 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000179707879 509584583 /nfs/dbraw/zinc/58/45/83/509584583.db2.gz HVJIEIPVTOIQKH-HNNXBMFYSA-N 1 0 356.426 2.643 10 5 FFBERO COc1ccc(OCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000173779587 509772462 /nfs/dbraw/zinc/77/24/62/509772462.db2.gz XHVPUSRASYIQBG-HNNXBMFYSA-N 1 0 372.425 2.811 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177705144 510208038 /nfs/dbraw/zinc/20/80/38/510208038.db2.gz BTLFLUBCJRCMMT-CYBMUJFWSA-N 1 0 354.838 2.603 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177707656 510208321 /nfs/dbraw/zinc/20/83/21/510208321.db2.gz YMBHLINLQUNECP-ZDUSSCGKSA-N 1 0 354.838 2.603 10 5 FFBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1CCOC ZINC000174737321 510280081 /nfs/dbraw/zinc/28/00/81/510280081.db2.gz RFKPLMDUZUMKJY-LBPRGKRZSA-N 1 0 359.373 2.743 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246254382 510390942 /nfs/dbraw/zinc/39/09/42/510390942.db2.gz XDEZFYCTRWKHFP-JQWIXIFHSA-N 1 0 368.231 2.666 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000175057765 510463840 /nfs/dbraw/zinc/46/38/40/510463840.db2.gz IQICTMHCFIPVRF-GDBMZVCRSA-N 1 0 357.414 2.703 10 5 FFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000194720197 510493764 /nfs/dbraw/zinc/49/37/64/510493764.db2.gz JOOOIYZFZJBGPL-RDJZCZTQSA-N 1 0 368.437 2.939 10 5 FFBERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222416 510495484 /nfs/dbraw/zinc/49/54/84/510495484.db2.gz TYEQHUFZHDWWNZ-CZUORRHYSA-N 1 0 356.430 2.746 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000246609514 510582493 /nfs/dbraw/zinc/58/24/93/510582493.db2.gz ROCOZLYCQOIFOA-STQMWFEESA-N 1 0 362.386 2.510 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175438274 510647021 /nfs/dbraw/zinc/64/70/21/510647021.db2.gz NMFVUGCBYNVUAU-UONOGXRCSA-N 1 0 362.386 2.510 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246987537 510784500 /nfs/dbraw/zinc/78/45/00/510784500.db2.gz LFMOLASNCFSYJB-JSGCOSHPSA-N 1 0 367.833 2.712 10 5 FFBERO O=[N+]([O-])c1ccc(CO)cc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000302022496 258083011 /nfs/dbraw/zinc/08/30/11/258083011.db2.gz GEMVKGVORYIYJR-UHFFFAOYSA-N 1 0 371.437 2.656 10 5 FFBERO COc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301641023 258060341 /nfs/dbraw/zinc/06/03/41/258060341.db2.gz MEVDAGFSQMDOQZ-AZUAARDMSA-N 1 0 369.421 2.693 10 5 FFBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)co2)cc1 ZINC000089901666 507881375 /nfs/dbraw/zinc/88/13/75/507881375.db2.gz MJEQIKIQWBRFRZ-AWEZNQCLSA-N 1 0 368.397 2.754 10 5 FFBERO CCc1csc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523715 507925452 /nfs/dbraw/zinc/92/54/52/507925452.db2.gz FZGVTVJQPWKDPO-ZDUSSCGKSA-N 1 0 362.455 2.655 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1CC ZINC000106117003 508395482 /nfs/dbraw/zinc/39/54/82/508395482.db2.gz VZYKGDWXXOOCQF-MRXNPFEDSA-N 1 0 351.447 2.536 10 5 FFBERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116250188 508491090 /nfs/dbraw/zinc/49/10/90/508491090.db2.gz IIYDYADCQVECAL-MAUKXSAKSA-N 1 0 368.437 2.939 10 5 FFBERO Brc1ccc(-c2nccc(C[N+]34CCN(CC3)CC4)n2)cc1 ZINC000136494016 508697643 /nfs/dbraw/zinc/69/76/43/508697643.db2.gz XOIKLMASNFMOSF-UHFFFAOYSA-N 1 0 360.279 2.552 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575098 508812623 /nfs/dbraw/zinc/81/26/23/508812623.db2.gz AQEZSAOLUPZNHS-GUYCJALGSA-N 1 0 357.414 2.591 10 5 FFBERO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839220 508899619 /nfs/dbraw/zinc/89/96/19/508899619.db2.gz NJNXWUOZGHQIGP-ZBFHGGJFSA-N 1 0 357.410 2.643 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1SC ZINC000155767737 509068153 /nfs/dbraw/zinc/06/81/53/509068153.db2.gz VLTYZZLLVCIEMG-YPMHNXCESA-N 1 0 367.471 2.784 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1CC ZINC000133436171 509159479 /nfs/dbraw/zinc/15/94/79/509159479.db2.gz BBZFSJVIKWUJPV-INIZCTEOSA-N 1 0 364.446 2.868 10 5 FFBERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000182336549 509182167 /nfs/dbraw/zinc/18/21/67/509182167.db2.gz KYUWSCCBDBPIIW-ZBFHGGJFSA-N 1 0 371.441 2.791 10 5 FFBERO Cc1sc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190601961 510232320 /nfs/dbraw/zinc/23/23/20/510232320.db2.gz FDQOIHKBFAANNH-HNNXBMFYSA-N 1 0 374.466 2.954 10 5 FFBERO Cc1c(F)cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000184947588 510599374 /nfs/dbraw/zinc/59/93/74/510599374.db2.gz NMXIUADDRRWQPP-CYBMUJFWSA-N 1 0 373.450 2.537 10 5 FFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742173 510647658 /nfs/dbraw/zinc/64/76/58/510647658.db2.gz BALLVAGIJWENRH-HEHGZKQESA-N 1 0 351.472 2.920 10 5 FFBERO C[C@H]1CCCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952272 512974653 /nfs/dbraw/zinc/97/46/53/512974653.db2.gz GCDQICCCCCLTPC-DOTOQJQBSA-N 1 0 372.469 2.751 10 5 FFBERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183070 513017151 /nfs/dbraw/zinc/01/71/51/513017151.db2.gz NUCRAUOYUZUFRK-RDJZCZTQSA-N 1 0 372.469 2.894 10 5 FFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129746 250240200 /nfs/dbraw/zinc/24/02/00/250240200.db2.gz PPENZAPMTUDPIH-INIZCTEOSA-N 1 0 357.458 2.949 10 5 FFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177439 250250058 /nfs/dbraw/zinc/25/00/58/250250058.db2.gz AEQCKGVWJNSSTL-MRXNPFEDSA-N 1 0 359.430 2.594 10 5 FFBERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551128 251288567 /nfs/dbraw/zinc/28/85/67/251288567.db2.gz CKNGVUBRTXXLLG-UHFFFAOYSA-N 1 0 370.475 2.684 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541688 251284824 /nfs/dbraw/zinc/28/48/24/251284824.db2.gz VEBZMCQSMFOBCP-NSHDSACASA-N 1 0 353.473 2.775 10 5 FFBERO COCC[N@@H+]1CCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000301238604 258036022 /nfs/dbraw/zinc/03/60/22/258036022.db2.gz NHBCEKHHQJKCHB-HNNXBMFYSA-N 1 0 371.441 2.517 10 5 FFBERO Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000301987045 258080303 /nfs/dbraw/zinc/08/03/03/258080303.db2.gz DEMDYRRRYSWKDH-QGZVFWFLSA-N 1 0 354.414 2.900 10 5 FFBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000058496549 507428045 /nfs/dbraw/zinc/42/80/45/507428045.db2.gz JNSUMQHRHZRQBF-SNAWJCMRSA-N 1 0 366.421 2.784 10 5 FFBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000107296485 507842616 /nfs/dbraw/zinc/84/26/16/507842616.db2.gz LFESOQDQQJFSGX-MRXNPFEDSA-N 1 0 369.469 2.749 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482928 508320360 /nfs/dbraw/zinc/32/03/60/508320360.db2.gz MLQCBQDTJFEBPV-INIZCTEOSA-N 1 0 373.413 2.882 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1CC ZINC000133638060 508428184 /nfs/dbraw/zinc/42/81/84/508428184.db2.gz UKSJRFAWHHEPEA-HNNXBMFYSA-N 1 0 364.446 2.868 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116753277 508555013 /nfs/dbraw/zinc/55/50/13/508555013.db2.gz UCECSGNCYOHMAP-CYBMUJFWSA-N 1 0 355.822 2.618 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1CC ZINC000116767767 508558574 /nfs/dbraw/zinc/55/85/74/508558574.db2.gz AKSKCXCKXSLOCO-CQSZACIVSA-N 1 0 374.441 2.649 10 5 FFBERO CCOc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000128913067 508658613 /nfs/dbraw/zinc/65/86/13/508658613.db2.gz AWSGEWSRWVDKFN-CYBMUJFWSA-N 1 0 367.446 2.708 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000153855946 508663266 /nfs/dbraw/zinc/66/32/66/508663266.db2.gz BHKQGRCOTZJDSV-CQSZACIVSA-N 1 0 350.419 2.845 10 5 FFBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000154966013 508894271 /nfs/dbraw/zinc/89/42/71/508894271.db2.gz MWLAZQSSLGQONZ-CQSZACIVSA-N 1 0 372.469 2.940 10 5 FFBERO Cc1c([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788029 509083859 /nfs/dbraw/zinc/08/38/59/509083859.db2.gz COTLWQBJUWKGRR-APWZRJJASA-N 1 0 369.465 2.973 10 5 FFBERO CN(c1cccnn1)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255368463 509924552 /nfs/dbraw/zinc/92/45/52/509924552.db2.gz ZKFLJTUNMJBEGS-ALCCZGGFSA-N 1 0 353.426 2.999 10 5 FFBERO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000255715010 509933640 /nfs/dbraw/zinc/93/36/40/509933640.db2.gz CHAHDMUBMVQNKH-AFCDSYGPSA-N 1 0 353.426 2.999 10 5 FFBERO Cc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190601387 510232711 /nfs/dbraw/zinc/23/27/11/510232711.db2.gz QVHJXCYXUUBFHQ-QGZVFWFLSA-N 1 0 368.437 2.892 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190648877 510260540 /nfs/dbraw/zinc/26/05/40/510260540.db2.gz KGRXYQXIZITADM-INIZCTEOSA-N 1 0 354.410 2.584 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000181284312 510338903 /nfs/dbraw/zinc/33/89/03/510338903.db2.gz FRGCPOPAQUYIFF-HNNXBMFYSA-N 1 0 356.426 2.915 10 5 FFBERO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000184614381 510419241 /nfs/dbraw/zinc/41/92/41/510419241.db2.gz DPGSUCKTQWIKLE-NSHDSACASA-N 1 0 358.320 2.926 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510771979 /nfs/dbraw/zinc/77/19/79/510771979.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 1 0 370.453 2.823 10 5 FFBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182239422 510829802 /nfs/dbraw/zinc/82/98/02/510829802.db2.gz QRLRCYVCUSMNHM-RDJZCZTQSA-N 1 0 374.441 2.522 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247524622 510864185 /nfs/dbraw/zinc/86/41/85/510864185.db2.gz WZIGIVRRLXMKCP-HOCLYGCPSA-N 1 0 358.442 2.504 10 5 FFBERO Cc1cc(Nc2cnn(CC[NH+](C)C)c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301227613 511692415 /nfs/dbraw/zinc/69/24/15/511692415.db2.gz HLBPBZKKTUKCFI-UHFFFAOYSA-N 1 0 367.413 2.862 10 5 FFBERO COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(c(O)c3[C@@H]1C2)OCO4 ZINC000936069380 717195348 /nfs/dbraw/zinc/19/53/48/717195348.db2.gz FJOUYKHTSXWRMH-NYHFZMIOSA-O 1 0 370.425 2.938 10 5 in-vitro FFBERO CCC[NH+](CCC)CCc1cccc([N+](=O)[O-])c1C=C(O)C(=O)OCC ZINC000022005664 211334176 /nfs/dbraw/zinc/33/41/76/211334176.db2.gz WOOIUFZMYXSJNR-UHFFFAOYSA-N 1 0 364.442 2.934 10 5 FFBERO Cc1ccc(N2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000106071728 250230658 /nfs/dbraw/zinc/23/06/58/250230658.db2.gz JBEJBSMACDSHTC-UHFFFAOYSA-N 1 0 371.441 2.674 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000106186000 250252159 /nfs/dbraw/zinc/25/21/59/250252159.db2.gz IKFJRRVODGJRME-UHFFFAOYSA-N 1 0 371.441 2.841 10 5 FFBERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225589 250258425 /nfs/dbraw/zinc/25/84/25/250258425.db2.gz IZNFPVMOFAVFKN-QGZVFWFLSA-N 1 0 357.414 2.765 10 5 FFBERO COc1cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301641025 258060296 /nfs/dbraw/zinc/06/02/96/258060296.db2.gz MEVDAGFSQMDOQZ-ICSRJNTNSA-N 1 0 369.421 2.693 10 5 FFBERO CC1CC[NH+](C[C@H](O)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301696415 258063456 /nfs/dbraw/zinc/06/34/56/258063456.db2.gz YYDSBLAUZVDOCP-CYBMUJFWSA-N 1 0 372.263 2.862 10 5 FFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867070 507866778 /nfs/dbraw/zinc/86/67/78/507866778.db2.gz MSQDVLVZPKBRDU-IEBWSBKVSA-N 1 0 369.421 2.782 10 5 FFBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107838521 507869554 /nfs/dbraw/zinc/86/95/54/507869554.db2.gz KHDWAWYTTHSXLV-SFHVURJKSA-N 1 0 360.458 2.797 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000113233550 508253134 /nfs/dbraw/zinc/25/31/34/508253134.db2.gz TVDROXUQFPOEJR-GDBMZVCRSA-N 1 0 358.442 2.504 10 5 FFBERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000116246319 508491046 /nfs/dbraw/zinc/49/10/46/508491046.db2.gz VJTXZCKLPOVSLQ-MAUKXSAKSA-N 1 0 368.437 2.939 10 5 FFBERO CC(=O)N[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000153825475 508657122 /nfs/dbraw/zinc/65/71/22/508657122.db2.gz WFBPTLOVFUGXOM-AWEZNQCLSA-N 1 0 360.439 2.819 10 5 FFBERO CN(C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128971543 508665466 /nfs/dbraw/zinc/66/54/66/508665466.db2.gz VOJGXXYLBFAEKZ-DLBZAZTESA-N 1 0 357.414 2.528 10 5 FFBERO C[N@H+](CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000160581304 509005608 /nfs/dbraw/zinc/00/56/08/509005608.db2.gz VVMNMBJFAPPZMJ-KRWDZBQOSA-N 1 0 373.432 2.747 10 5 FFBERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000248701385 509442298 /nfs/dbraw/zinc/44/22/98/509442298.db2.gz NAUSFVVCWWQOOT-HUUCEWRRSA-N 1 0 360.458 2.904 10 5 FFBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292107 509628933 /nfs/dbraw/zinc/62/89/33/509628933.db2.gz BRIRSYQVBHPAFZ-IRXDYDNUSA-N 1 0 350.415 2.667 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177005085 509813934 /nfs/dbraw/zinc/81/39/34/509813934.db2.gz DYTOOKWKDRVFPS-QGZVFWFLSA-N 1 0 374.485 2.754 10 5 FFBERO CCOc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000177009175 509815530 /nfs/dbraw/zinc/81/55/30/509815530.db2.gz DOAACDWKADAHKX-CYBMUJFWSA-N 1 0 365.430 2.558 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177024175 509824712 /nfs/dbraw/zinc/82/47/12/509824712.db2.gz SIMQNOSYHDHOML-LBPRGKRZSA-N 1 0 370.247 2.914 10 5 FFBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180614523 510015147 /nfs/dbraw/zinc/01/51/47/510015147.db2.gz ZSSDAHCUZMHIDZ-CVEARBPZSA-N 1 0 355.442 2.674 10 5 FFBERO Cc1cccc(NC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)[nH+]1 ZINC000171365506 510108417 /nfs/dbraw/zinc/10/84/17/510108417.db2.gz YCVDTXPDSNBJSP-LBPRGKRZSA-N 1 0 358.427 2.946 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245957167 510227724 /nfs/dbraw/zinc/22/77/24/510227724.db2.gz QYNATXINNUKYHK-ZBFHGGJFSA-N 1 0 371.441 2.900 10 5 FFBERO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246337172 510432897 /nfs/dbraw/zinc/43/28/97/510432897.db2.gz UBUDSOHOMVXJDQ-AUUYWEPGSA-N 1 0 367.409 2.902 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000175436856 510646116 /nfs/dbraw/zinc/64/61/16/510646116.db2.gz ROCOZLYCQOIFOA-QWHCGFSZSA-N 1 0 362.386 2.510 10 5 FFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)o1 ZINC000106380422 250267002 /nfs/dbraw/zinc/26/70/02/250267002.db2.gz WULCPGPUXZTTHA-INIZCTEOSA-N 1 0 357.410 2.808 10 5 FFBERO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000106373576 250268460 /nfs/dbraw/zinc/26/84/60/250268460.db2.gz NFCZZZVQEWFIRQ-UHFFFAOYSA-N 1 0 371.441 2.839 10 5 FFBERO C[NH+](C)C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000054646373 506594287 /nfs/dbraw/zinc/59/42/87/506594287.db2.gz JFUUQXBLJZNLFW-GOSISDBHSA-N 1 0 356.426 2.739 10 5 FFBERO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000051385444 507768023 /nfs/dbraw/zinc/76/80/23/507768023.db2.gz CMDDMHPZAFAPSD-AWEZNQCLSA-N 1 0 358.423 2.639 10 5 FFBERO COCC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000106107051 508394044 /nfs/dbraw/zinc/39/40/44/508394044.db2.gz TUWAUKQHUJJPCG-OAHLLOKOSA-N 1 0 351.447 2.535 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000106117004 508395563 /nfs/dbraw/zinc/39/55/63/508395563.db2.gz VZYKGDWXXOOCQF-INIZCTEOSA-N 1 0 351.447 2.536 10 5 FFBERO CN(Cc1c(F)cccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000106128575 508396215 /nfs/dbraw/zinc/39/62/15/508396215.db2.gz AYCNJRWCUQWXGF-UHFFFAOYSA-N 1 0 361.421 2.527 10 5 FFBERO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128413420 508589700 /nfs/dbraw/zinc/58/97/00/508589700.db2.gz YHWSUQMXOOYVQE-ZBFHGGJFSA-N 1 0 373.413 2.512 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1CC ZINC000119737391 508853076 /nfs/dbraw/zinc/85/30/76/508853076.db2.gz HVEDOLNUSXSOIM-HNNXBMFYSA-N 1 0 364.446 2.868 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000131111697 508888476 /nfs/dbraw/zinc/88/84/76/508888476.db2.gz CKRXAUNMQIWBIR-GXFFZTMASA-N 1 0 357.332 2.922 10 5 FFBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000120601574 509029235 /nfs/dbraw/zinc/02/92/35/509029235.db2.gz BHFQKKAFUHLNOQ-LSDHHAIUSA-N 1 0 359.426 2.742 10 5 FFBERO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1ccnc(N)c1[N+](=O)[O-] ZINC000217511415 509270302 /nfs/dbraw/zinc/27/03/02/509270302.db2.gz JATAAJRHZLGAFY-PBHICJAKSA-N 1 0 355.442 2.919 10 5 FFBERO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179420378 509434206 /nfs/dbraw/zinc/43/42/06/509434206.db2.gz AVBFKOQGRZFVKW-NSHDSACASA-N 1 0 369.219 2.669 10 5 FFBERO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000173271294 509493129 /nfs/dbraw/zinc/49/31/29/509493129.db2.gz ZAGZKDCKGUFOMR-VXGBXAGGSA-N 1 0 370.837 2.557 10 5 FFBERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188185 509646448 /nfs/dbraw/zinc/64/64/48/509646448.db2.gz OTLCJKUXECMFFK-GWCFXTLKSA-N 1 0 360.357 2.904 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000245422262 509921262 /nfs/dbraw/zinc/92/12/62/509921262.db2.gz IQICTMHCFIPVRF-HOCLYGCPSA-N 1 0 357.414 2.703 10 5 FFBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000245729677 510111105 /nfs/dbraw/zinc/11/11/05/510111105.db2.gz JLMMSKSLMLDXEZ-CABCVRRESA-N 1 0 359.426 2.742 10 5 FFBERO Cc1cccc(NC[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171653036 510283930 /nfs/dbraw/zinc/28/39/30/510283930.db2.gz IPNAAFMTPAPPKD-OAHLLOKOSA-N 1 0 369.425 2.671 10 5 FFBERO COc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191366394 510625382 /nfs/dbraw/zinc/62/53/82/510625382.db2.gz GHXVSEVOZCOKHM-MRXNPFEDSA-N 1 0 357.410 2.945 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247259087 510854452 /nfs/dbraw/zinc/85/44/52/510854452.db2.gz QHLGCPMRTSFGCB-RDTXWAMCSA-N 1 0 354.410 2.630 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247259078 510854510 /nfs/dbraw/zinc/85/45/10/510854510.db2.gz QHLGCPMRTSFGCB-KBXCAEBGSA-N 1 0 354.410 2.630 10 5 FFBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247807553 510870748 /nfs/dbraw/zinc/87/07/48/510870748.db2.gz TWAJPDPJDGMKTA-AEFFLSMTSA-N 1 0 374.441 2.522 10 5 FFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000106178172 250249651 /nfs/dbraw/zinc/24/96/51/250249651.db2.gz ZVHDTWDDKRTCNZ-MRXNPFEDSA-N 1 0 359.430 2.594 10 5 FFBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106207854 250255573 /nfs/dbraw/zinc/25/55/73/250255573.db2.gz TWAJPDPJDGMKTA-WMZOPIPTSA-N 1 0 374.441 2.522 10 5 FFBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707873 250311597 /nfs/dbraw/zinc/31/15/97/250311597.db2.gz YQZAUXVCTLZLQN-OAHLLOKOSA-N 1 0 367.471 2.542 10 5 FFBERO C[NH+](C)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000032273341 506237650 /nfs/dbraw/zinc/23/76/50/506237650.db2.gz LWQHZFIYXNORKL-MRXNPFEDSA-N 1 0 353.382 2.504 10 5 FFBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524771 507855750 /nfs/dbraw/zinc/85/57/50/507855750.db2.gz XSSWDLGJUVJZPD-CQSZACIVSA-N 1 0 362.386 2.594 10 5 FFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732420 507859780 /nfs/dbraw/zinc/85/97/80/507859780.db2.gz YZIXVSCHCIXPID-ROUUACIJSA-N 1 0 367.453 2.965 10 5 FFBERO C[NH+](C)C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000108951949 507928021 /nfs/dbraw/zinc/92/80/21/507928021.db2.gz LCYAVXWFZDTTIH-QGZVFWFLSA-N 1 0 369.421 2.593 10 5 FFBERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000112556673 508197334 /nfs/dbraw/zinc/19/73/34/508197334.db2.gz JZFSHLLZPOVNTN-IBGZPJMESA-N 1 0 370.453 2.872 10 5 FFBERO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188220 509646393 /nfs/dbraw/zinc/64/63/93/509646393.db2.gz OTLCJKUXECMFFK-GXFFZTMASA-N 1 0 360.357 2.904 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183333020 509722707 /nfs/dbraw/zinc/72/27/07/509722707.db2.gz MTCSAEWZTICLJT-UHFFFAOYSA-N 1 0 357.458 2.696 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000245444828 509940532 /nfs/dbraw/zinc/94/05/32/509940532.db2.gz YJSVWGMRAKEWEG-RDJZCZTQSA-N 1 0 360.458 2.790 10 5 FFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Br ZINC000181567300 510477470 /nfs/dbraw/zinc/47/74/70/510477470.db2.gz NCIWMAWGZAVBNR-NSHDSACASA-N 1 0 366.215 2.870 10 5 FFBERO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000175098248 510482117 /nfs/dbraw/zinc/48/21/17/510482117.db2.gz SSQBORPPMACPFO-HXUWFJFHSA-N 1 0 371.437 2.597 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246480931 510512667 /nfs/dbraw/zinc/51/26/67/510512667.db2.gz HLOXSIZZMBOMHU-CXAGYDPISA-N 1 0 372.400 2.769 10 5 FFBERO COc1ccc(OCC[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000178302429 510535857 /nfs/dbraw/zinc/53/58/57/510535857.db2.gz DQXXVLUIIBYVLM-OAHLLOKOSA-N 1 0 360.414 2.652 10 5 FFBERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247172921 510848386 /nfs/dbraw/zinc/84/83/86/510848386.db2.gz JQXPSHBOZXCIFV-DNVCBOLYSA-N 1 0 368.437 2.939 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247288826 510855656 /nfs/dbraw/zinc/85/56/56/510855656.db2.gz TVCVTHRMRMHYQR-BEFAXECRSA-N 1 0 368.437 2.939 10 5 FFBERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225592 250258918 /nfs/dbraw/zinc/25/89/18/250258918.db2.gz IZNFPVMOFAVFKN-KRWDZBQOSA-N 1 0 357.414 2.765 10 5 FFBERO COC(=O)c1cnc(N2CCC[C@H]([NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000302789231 258110800 /nfs/dbraw/zinc/11/08/00/258110800.db2.gz XVYVZKGQBOSURX-HNNXBMFYSA-N 1 0 362.430 2.621 10 5 FFBERO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[N@H+]3CCC[C@@H]3CO)ccc2c1 ZINC000301698786 258063470 /nfs/dbraw/zinc/06/34/70/258063470.db2.gz CLWRFSFWFRAZGL-DLBZAZTESA-N 1 0 356.426 2.569 10 5 FFBERO [NH3+]C[C@H]1CCC[C@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC000097351179 222175863 /nfs/dbraw/zinc/17/58/63/222175863.db2.gz UBCVIEKZGBQFNB-LDYMZIIASA-N 1 0 362.167 2.706 10 5 FFBERO Cn1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092615971 508087115 /nfs/dbraw/zinc/08/71/15/508087115.db2.gz DWDLYNGKYMZORY-GOSISDBHSA-N 1 0 355.442 2.665 10 5 FFBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@H](Cn4cccn4)C3)o2)c1 ZINC000122255274 508507779 /nfs/dbraw/zinc/50/77/79/508507779.db2.gz RVIIZGDHNSFZJS-SFHVURJKSA-N 1 0 368.393 2.952 10 5 FFBERO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000120180579 508944870 /nfs/dbraw/zinc/94/48/70/508944870.db2.gz CHAHDMUBMVQNKH-JZLODUJNSA-N 1 0 353.426 2.999 10 5 FFBERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000191977395 509273803 /nfs/dbraw/zinc/27/38/03/509273803.db2.gz ALBXBVVHORWEDM-UHFFFAOYSA-N 1 0 363.458 2.833 10 5 FFBERO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000188993339 509359549 /nfs/dbraw/zinc/35/95/49/509359549.db2.gz DILUDFKYCLIUNZ-GWCFXTLKSA-N 1 0 367.377 2.810 10 5 FFBERO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000179400511 509423160 /nfs/dbraw/zinc/42/31/60/509423160.db2.gz FLAOGZKIJBHVAG-CYBMUJFWSA-N 1 0 368.397 2.820 10 5 FFBERO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170858995 509816320 /nfs/dbraw/zinc/81/63/20/509816320.db2.gz ULGVQEJRCAEDRM-INIZCTEOSA-N 1 0 360.458 2.607 10 5 FFBERO C[C@H]1CN(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429095 509912189 /nfs/dbraw/zinc/91/21/89/509912189.db2.gz LQTMPWOYGSJBGD-INIZCTEOSA-N 1 0 363.458 2.549 10 5 FFBERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183669169 509917488 /nfs/dbraw/zinc/91/74/88/509917488.db2.gz DFPLLKVXPUPVTR-BDJLRTHQSA-N 1 0 363.801 2.898 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000245444829 509940208 /nfs/dbraw/zinc/94/02/08/509940208.db2.gz YJSVWGMRAKEWEG-WBVHZDCISA-N 1 0 360.458 2.790 10 5 FFBERO Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190623774 510245680 /nfs/dbraw/zinc/24/56/80/510245680.db2.gz AKPMWJRRRSAPAS-KRWDZBQOSA-N 1 0 368.437 2.892 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000190629937 510251111 /nfs/dbraw/zinc/25/11/11/510251111.db2.gz WYOOXVIIEKIJCN-OAHLLOKOSA-N 1 0 372.400 2.723 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194519455 510406894 /nfs/dbraw/zinc/40/68/94/510406894.db2.gz UWPKVRXVEKLDFV-GFCCVEGCSA-N 1 0 370.409 2.988 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000246755670 510655264 /nfs/dbraw/zinc/65/52/64/510655264.db2.gz BNTJILYJKXMJEL-NVXWUHKLSA-N 1 0 374.485 2.656 10 5 FFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000246755660 510656329 /nfs/dbraw/zinc/65/63/29/510656329.db2.gz BNTJILYJKXMJEL-DOTOQJQBSA-N 1 0 374.485 2.656 10 5 FFBERO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346456 510683343 /nfs/dbraw/zinc/68/33/43/510683343.db2.gz WQTXEFCSSQHMQD-LBPRGKRZSA-N 1 0 366.849 2.745 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178755044 510756262 /nfs/dbraw/zinc/75/62/62/510756262.db2.gz VAHHTIXUTOGQJQ-QGZVFWFLSA-N 1 0 371.441 2.901 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247284121 510855517 /nfs/dbraw/zinc/85/55/17/510855517.db2.gz SPACSSLXGRKBTK-BEFAXECRSA-N 1 0 368.437 2.939 10 5 FFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000588445467 965012025 /nfs/dbraw/zinc/01/20/25/965012025.db2.gz PTGTWCNQPMAAPB-OJSRQPNCSA-N 1 0 361.442 2.567 10 5 FFBERO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000103150266 250137090 /nfs/dbraw/zinc/13/70/90/250137090.db2.gz GMSUKIQJBFTZGD-CQSZACIVSA-N 1 0 373.413 2.570 10 5 FFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000106178176 250249034 /nfs/dbraw/zinc/24/90/34/250249034.db2.gz ZVHDTWDDKRTCNZ-INIZCTEOSA-N 1 0 359.430 2.594 10 5 FFBERO CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000153539632 251150339 /nfs/dbraw/zinc/15/03/39/251150339.db2.gz TXQAHJAGLGIUHZ-PBHICJAKSA-N 1 0 374.441 2.527 10 5 FFBERO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302788815 258110766 /nfs/dbraw/zinc/11/07/66/258110766.db2.gz CYMVNZFDOSKUEV-IBGZPJMESA-N 1 0 359.401 2.807 10 5 FFBERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ncccc1[N+](=O)[O-] ZINC000110561089 508033828 /nfs/dbraw/zinc/03/38/28/508033828.db2.gz XYRZCUHHQZURJB-IBGZPJMESA-N 1 0 370.453 2.872 10 5 FFBERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137021193 508732694 /nfs/dbraw/zinc/73/26/94/508732694.db2.gz UZMIVVVMHDASLZ-YJBOKZPZSA-N 1 0 356.426 2.766 10 5 FFBERO COc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])cc1F ZINC000132925925 509093013 /nfs/dbraw/zinc/09/30/13/509093013.db2.gz LURQPEHAINAEEC-NVXWUHKLSA-N 1 0 367.421 2.922 10 5 FFBERO CN1CC[NH+]([C@H]2CCCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000127085049 509165640 /nfs/dbraw/zinc/16/56/40/509165640.db2.gz FBSGWUGOXHZSBG-INIZCTEOSA-N 1 0 369.469 2.749 10 5 FFBERO Cn1cc(C[N@@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000121549218 509178193 /nfs/dbraw/zinc/17/81/93/509178193.db2.gz HFEYTTZLYNCELM-QPJJXVBHSA-N 1 0 355.442 2.549 10 5 FFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000182344980 509187162 /nfs/dbraw/zinc/18/71/62/509187162.db2.gz NMPMFBJJSPUKLK-GOEBONIOSA-N 1 0 371.441 2.791 10 5 FFBERO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000172797079 509241812 /nfs/dbraw/zinc/24/18/12/509241812.db2.gz CVTMCKKMAWFRHV-UHFFFAOYSA-N 1 0 373.412 2.598 10 5 FFBERO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000248617453 509395326 /nfs/dbraw/zinc/39/53/26/509395326.db2.gz MEWPUZMMJSBFHY-WBAXXEDZSA-N 1 0 372.469 2.640 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000176982496 509797894 /nfs/dbraw/zinc/79/78/94/509797894.db2.gz OKWIJAKODONZLP-GFCCVEGCSA-N 1 0 367.471 2.882 10 5 FFBERO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177052077 509841380 /nfs/dbraw/zinc/84/13/80/509841380.db2.gz XBNDBDDMMDFLID-AWEZNQCLSA-N 1 0 368.397 2.627 10 5 FFBERO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177052058 509842520 /nfs/dbraw/zinc/84/25/20/509842520.db2.gz XBNDBDDMMDFLID-CQSZACIVSA-N 1 0 368.397 2.627 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000190448006 510136579 /nfs/dbraw/zinc/13/65/79/510136579.db2.gz VQOUCQGBOICUEL-AWEZNQCLSA-N 1 0 361.833 2.997 10 5 FFBERO Cc1nc(C[C@H]2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000245845994 510164985 /nfs/dbraw/zinc/16/49/85/510164985.db2.gz JIIPLIJWTIYVCM-TZMCWYRMSA-N 1 0 373.413 2.568 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190645161 510259121 /nfs/dbraw/zinc/25/91/21/510259121.db2.gz CXKKFQDRQAXOHU-HNNXBMFYSA-N 1 0 372.400 2.723 10 5 FFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000194720182 510494441 /nfs/dbraw/zinc/49/44/41/510494441.db2.gz JOOOIYZFZJBGPL-DOTOQJQBSA-N 1 0 368.437 2.939 10 5 FFBERO Cn1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068131 510525622 /nfs/dbraw/zinc/52/56/22/510525622.db2.gz YQROFCYSOMLZCR-QUCCMNQESA-N 1 0 364.405 2.743 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000182075713 510742586 /nfs/dbraw/zinc/74/25/86/510742586.db2.gz YDVPZAWPWDUDRK-HNNXBMFYSA-N 1 0 357.410 2.610 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182272526 510840319 /nfs/dbraw/zinc/84/03/19/510840319.db2.gz HGOORJJXNQEJNM-LBPRGKRZSA-N 1 0 357.357 2.753 10 5 FFBERO Cn1cc([C@H](CNc2cc(Br)ccc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301676013 258062733 /nfs/dbraw/zinc/06/27/33/258062733.db2.gz PXDMZHALJUMZJZ-AWEZNQCLSA-N 1 0 368.235 2.806 10 5 FFBERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303857 507842824 /nfs/dbraw/zinc/84/28/24/507842824.db2.gz MHPFEGSOQKNADE-CZUORRHYSA-N 1 0 356.430 2.746 10 5 FFBERO [NH3+]CCCOC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000094073108 508166749 /nfs/dbraw/zinc/16/67/49/508166749.db2.gz STVYFTSWSANQDP-UHFFFAOYSA-N 1 0 358.236 2.692 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134364179 508524799 /nfs/dbraw/zinc/52/47/99/508524799.db2.gz HLOXSIZZMBOMHU-DYVFJYSZSA-N 1 0 372.400 2.769 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134364200 508524897 /nfs/dbraw/zinc/52/48/97/508524897.db2.gz HLOXSIZZMBOMHU-GUYCJALGSA-N 1 0 372.400 2.769 10 5 FFBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160785033 509032487 /nfs/dbraw/zinc/03/24/87/509032487.db2.gz OVXWGWJWVSCMSR-KDOFPFPSSA-N 1 0 358.398 2.772 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179160797 509296900 /nfs/dbraw/zinc/29/69/00/509296900.db2.gz CVKGORLXUDKPFK-MRXNPFEDSA-N 1 0 371.441 2.631 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000248409516 509303789 /nfs/dbraw/zinc/30/37/89/509303789.db2.gz GCMUUCPASOUYKJ-QWRGUYRKSA-N 1 0 368.231 2.666 10 5 FFBERO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188231 509647029 /nfs/dbraw/zinc/64/70/29/509647029.db2.gz OTLCJKUXECMFFK-ZWNOBZJWSA-N 1 0 360.357 2.904 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000176988199 509802608 /nfs/dbraw/zinc/80/26/08/509802608.db2.gz OSXKOZBBDZNYND-INIZCTEOSA-N 1 0 360.458 2.751 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CC ZINC000177055203 509844899 /nfs/dbraw/zinc/84/48/99/509844899.db2.gz WKCBPVDUWYIGKM-AWEZNQCLSA-N 1 0 362.430 2.669 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000245421419 509921447 /nfs/dbraw/zinc/92/14/47/509921447.db2.gz HYJHBLOHEPNDPP-ZBFHGGJFSA-N 1 0 357.414 2.703 10 5 FFBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618507 510016980 /nfs/dbraw/zinc/01/69/80/510016980.db2.gz HXGBBIWBTYAHRA-OCCSQVGLSA-N 1 0 359.430 2.813 10 5 FFBERO COc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245973659 510233992 /nfs/dbraw/zinc/23/39/92/510233992.db2.gz OITZVJLBLYSAIN-ZDUSSCGKSA-N 1 0 371.384 2.527 10 5 FFBERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246296697 510411511 /nfs/dbraw/zinc/41/15/11/510411511.db2.gz PIOAISFIRDQQTC-VQIMIIECSA-N 1 0 369.421 2.979 10 5 FFBERO CC[C@H]([NH2+]CC(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181530663 510457887 /nfs/dbraw/zinc/45/78/87/510457887.db2.gz RESGZBXPLYAGMW-SFHVURJKSA-N 1 0 357.410 2.961 10 5 FFBERO COc1ccc(OCC[N@@H+]2CCC[C@H]2Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000178302415 510535275 /nfs/dbraw/zinc/53/52/75/510535275.db2.gz DQXXVLUIIBYVLM-HNNXBMFYSA-N 1 0 360.414 2.652 10 5 FFBERO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000182095455 510755415 /nfs/dbraw/zinc/75/54/15/510755415.db2.gz MAHHAUSFRWTRMR-AWEZNQCLSA-N 1 0 357.410 2.854 10 5 FFBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106207856 250254710 /nfs/dbraw/zinc/25/47/10/250254710.db2.gz TWAJPDPJDGMKTA-FUHWJXTLSA-N 1 0 374.441 2.522 10 5 FFBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707871 250310293 /nfs/dbraw/zinc/31/02/93/250310293.db2.gz YQZAUXVCTLZLQN-HNNXBMFYSA-N 1 0 367.471 2.542 10 5 FFBERO Cn1cc([C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301265310 258038386 /nfs/dbraw/zinc/03/83/86/258038386.db2.gz FESJIMHROMXYPB-CQSZACIVSA-N 1 0 368.235 2.806 10 5 FFBERO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301407366 258047829 /nfs/dbraw/zinc/04/78/29/258047829.db2.gz VQXRFVJZRGVNSJ-UHFFFAOYSA-N 1 0 360.458 2.753 10 5 FFBERO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000071564956 507706082 /nfs/dbraw/zinc/70/60/82/507706082.db2.gz XXIXOMVVWVQVLW-UHFFFAOYSA-N 1 0 356.382 2.715 10 5 FFBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732214 507860079 /nfs/dbraw/zinc/86/00/79/507860079.db2.gz LDRZLROGBJPGLI-RDJZCZTQSA-N 1 0 355.442 2.965 10 5 FFBERO Cn1ccnc1CC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000121958360 508457374 /nfs/dbraw/zinc/45/73/74/508457374.db2.gz BSDZFFIRLWEPHK-AATRIKPKSA-N 1 0 354.410 2.823 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127869639 508513112 /nfs/dbraw/zinc/51/31/12/508513112.db2.gz AHBFIEGXGZDING-IAGOWNOFSA-N 1 0 357.414 2.812 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154588568 508815272 /nfs/dbraw/zinc/81/52/72/508815272.db2.gz JNKHRGHCIZLPPH-OAHLLOKOSA-N 1 0 357.414 2.593 10 5 FFBERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178101 509145711 /nfs/dbraw/zinc/14/57/11/509145711.db2.gz JXSDWHOUTSKKMN-DLBZAZTESA-N 1 0 361.442 2.863 10 5 FFBERO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248505959 509346025 /nfs/dbraw/zinc/34/60/25/509346025.db2.gz WMFFDRYFUDGBJM-CVEARBPZSA-N 1 0 351.378 2.706 10 5 FFBERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000189011681 509367229 /nfs/dbraw/zinc/36/72/29/509367229.db2.gz NPLKBNHJUGEWPL-SMDDNHRTSA-N 1 0 367.377 2.810 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245422457 509921435 /nfs/dbraw/zinc/92/14/35/509921435.db2.gz IVNPCOHICHNDGI-OCCSQVGLSA-N 1 0 366.849 2.745 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000245441362 509936089 /nfs/dbraw/zinc/93/60/89/509936089.db2.gz VISDCXCFPDAYPI-WBVHZDCISA-N 1 0 360.458 2.790 10 5 FFBERO Cc1sc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190601946 510232342 /nfs/dbraw/zinc/23/23/42/510232342.db2.gz FDQOIHKBFAANNH-OAHLLOKOSA-N 1 0 374.466 2.954 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190648897 510260058 /nfs/dbraw/zinc/26/00/58/510260058.db2.gz KGRXYQXIZITADM-MRXNPFEDSA-N 1 0 354.410 2.584 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000190665067 510271416 /nfs/dbraw/zinc/27/14/16/510271416.db2.gz VWHPSLXGRDDNLA-OAHLLOKOSA-N 1 0 372.400 2.723 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181566596 510476642 /nfs/dbraw/zinc/47/66/42/510476642.db2.gz PHWOIAULMWPSTL-OLZOCXBDSA-N 1 0 363.439 2.962 10 5 FFBERO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195042182 510644677 /nfs/dbraw/zinc/64/46/77/510644677.db2.gz OVUAUBJCQAUYDP-QGZVFWFLSA-N 1 0 372.469 2.508 10 5 FFBERO O=C(CCN1CCC([NH+]2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185187622 510736280 /nfs/dbraw/zinc/73/62/80/510736280.db2.gz ZUUHGGZWODSITB-UHFFFAOYSA-N 1 0 364.421 2.623 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273813 510751763 /nfs/dbraw/zinc/75/17/63/510751763.db2.gz ZBNVNOGFHONGEM-KRWDZBQOSA-N 1 0 370.453 2.952 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178753446 510754586 /nfs/dbraw/zinc/75/45/86/510754586.db2.gz LWLCGQVKRGXLIY-MRXNPFEDSA-N 1 0 371.441 2.901 10 5 FFBERO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247779474 510870437 /nfs/dbraw/zinc/87/04/37/510870437.db2.gz RMIGUYJQHPRLAW-RDJZCZTQSA-N 1 0 365.474 2.659 10 5 FFBERO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952278 512974787 /nfs/dbraw/zinc/97/47/87/512974787.db2.gz GCDQICCCCCLTPC-NVXWUHKLSA-N 1 0 372.469 2.751 10 5 FFBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@@H]1CC ZINC000175099725 729087043 /nfs/dbraw/zinc/08/70/43/729087043.db2.gz BOHFLPOGOLPLOD-INIZCTEOSA-N 1 0 351.447 2.678 10 5 FFBERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104080270 250167649 /nfs/dbraw/zinc/16/76/49/250167649.db2.gz QNLVMYPNLKQXHK-UHFFFAOYSA-N 1 0 366.849 2.747 10 5 FFBERO Cc1cc(NCC2([NH+](C)C)CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301296963 258040670 /nfs/dbraw/zinc/04/06/70/258040670.db2.gz SLZSBBMQSHQDEZ-UHFFFAOYSA-N 1 0 371.441 2.883 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000116244163 508490928 /nfs/dbraw/zinc/49/09/28/508490928.db2.gz DVUOHMSTOBEKOK-QAPCUYQASA-N 1 0 368.437 2.559 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1CC ZINC000119667396 508840075 /nfs/dbraw/zinc/84/00/75/508840075.db2.gz REFBLKKHZKSQSL-HNNXBMFYSA-N 1 0 364.446 2.868 10 5 FFBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000182570071 509309352 /nfs/dbraw/zinc/30/93/52/509309352.db2.gz GZTXWKBWOGVTHX-LLVKDONJSA-N 1 0 366.215 2.870 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000182754445 509410899 /nfs/dbraw/zinc/41/08/99/509410899.db2.gz ROHMEAGGGGGCSH-INIZCTEOSA-N 1 0 357.458 2.906 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253549513 509893374 /nfs/dbraw/zinc/89/33/74/509893374.db2.gz SGIILBRCUYPPGI-OCCSQVGLSA-N 1 0 370.409 2.547 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245421029 509920059 /nfs/dbraw/zinc/92/00/59/509920059.db2.gz HTSHFVFUFKLFQG-KGLIPLIRSA-N 1 0 366.849 2.745 10 5 FFBERO Cc1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190639355 510255429 /nfs/dbraw/zinc/25/54/29/510255429.db2.gz SUIZKYLMXXMDKZ-QGZVFWFLSA-N 1 0 368.437 2.892 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181385089 510385666 /nfs/dbraw/zinc/38/56/66/510385666.db2.gz NBPQDZKSBJDRPA-ZDUSSCGKSA-N 1 0 371.393 2.574 10 5 FFBERO Cn1ccnc1CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106166587 250246718 /nfs/dbraw/zinc/24/67/18/250246718.db2.gz FKDIBMWTOKOVGV-UHFFFAOYSA-N 1 0 371.441 2.612 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107708511 250311908 /nfs/dbraw/zinc/31/19/08/250311908.db2.gz SCAWCSNKOWPTJT-OAHLLOKOSA-N 1 0 367.471 2.542 10 5 FFBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H]1CC[NH2+]C1 ZINC000131917599 251029202 /nfs/dbraw/zinc/02/92/02/251029202.db2.gz NAVZAWFEVSFHKN-VIFPVBQESA-N 1 0 351.204 2.927 10 5 FFBERO Nc1ccc2n(C(=O)[C@@H]([NH3+])Cc3ccccc3)c3ccccc3cc-2c1=O ZINC000098087634 222227659 /nfs/dbraw/zinc/22/76/59/222227659.db2.gz FCLWGDAUBNVAFT-SFHVURJKSA-N 1 0 357.413 2.899 10 5 FFBERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000123535648 508701820 /nfs/dbraw/zinc/70/18/20/508701820.db2.gz IZFZMQGBVDVOHG-OAHLLOKOSA-N 1 0 359.426 2.743 10 5 FFBERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000137002523 508732027 /nfs/dbraw/zinc/73/20/27/508732027.db2.gz RQSNYCNFOCEYIL-LBPRGKRZSA-N 1 0 367.833 2.574 10 5 FFBERO CCOCC[N@@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1CC ZINC000125516178 508993675 /nfs/dbraw/zinc/99/36/75/508993675.db2.gz YAPPVXNQDWRZKY-CYBMUJFWSA-N 1 0 355.410 2.680 10 5 FFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)o2)cc1 ZINC000120994050 509105110 /nfs/dbraw/zinc/10/51/10/509105110.db2.gz GTNYFDSZPFTMTH-QGZVFWFLSA-N 1 0 357.410 2.761 10 5 FFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000182336506 509181912 /nfs/dbraw/zinc/18/19/12/509181912.db2.gz KYUWSCCBDBPIIW-GDBMZVCRSA-N 1 0 371.441 2.791 10 5 FFBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cncn1)CCC2 ZINC000192672356 509592521 /nfs/dbraw/zinc/59/25/21/509592521.db2.gz DQTKUBVMMVWYNQ-QGZVFWFLSA-N 1 0 350.382 2.738 10 5 FFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000246254563 510391905 /nfs/dbraw/zinc/39/19/05/510391905.db2.gz JVBWWCKRJGBNPS-NVXWUHKLSA-N 1 0 367.409 2.551 10 5 FFBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccnc1-n1cncn1)C1CC1 ZINC000178048774 510400872 /nfs/dbraw/zinc/40/08/72/510400872.db2.gz BEVSFFWQPDLPDP-KRWDZBQOSA-N 1 0 364.409 2.681 10 5 FFBERO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181549733 510468100 /nfs/dbraw/zinc/46/81/00/510468100.db2.gz MAHVCVFEQCDGHK-QGZVFWFLSA-N 1 0 357.410 2.961 10 5 FFBERO Cc1c(Br)cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000178800263 510779012 /nfs/dbraw/zinc/77/90/12/510779012.db2.gz KFHWRFAOHAOWFG-LBPRGKRZSA-N 1 0 368.231 2.586 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051377123 507765122 /nfs/dbraw/zinc/76/51/22/507765122.db2.gz IWRAMYLFKQUGGL-CYBMUJFWSA-N 1 0 360.439 2.932 10 5 FFBERO CN(c1cccnn1)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093272457 508131608 /nfs/dbraw/zinc/13/16/08/508131608.db2.gz ZKFLJTUNMJBEGS-FNORWQNLSA-N 1 0 353.426 2.999 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1CC ZINC000133637853 508427868 /nfs/dbraw/zinc/42/78/68/508427868.db2.gz UKSJRFAWHHEPEA-OAHLLOKOSA-N 1 0 364.446 2.868 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccnn2C)CC1 ZINC000160516885 508998139 /nfs/dbraw/zinc/99/81/39/508998139.db2.gz JGKTXJSEQBIDEL-UHFFFAOYSA-N 1 0 371.441 2.845 10 5 FFBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)o1 ZINC000121010081 509109127 /nfs/dbraw/zinc/10/91/27/509109127.db2.gz SEMDYRWDDLCPLO-OAHLLOKOSA-N 1 0 357.410 2.761 10 5 FFBERO CCCn1cc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cn1 ZINC000266804732 509203280 /nfs/dbraw/zinc/20/32/80/509203280.db2.gz CXMOSZOJYXNKBS-UHFFFAOYSA-N 1 0 358.446 2.617 10 5 FFBERO Cc1nc(C[C@@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000245837290 510160325 /nfs/dbraw/zinc/16/03/25/510160325.db2.gz DODADKWIHULHIK-OCCSQVGLSA-N 1 0 373.413 2.568 10 5 FFBERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000177947343 510342157 /nfs/dbraw/zinc/34/21/57/510342157.db2.gz DUTBLWOMEUBCTJ-ZDUSSCGKSA-N 1 0 353.850 2.933 10 5 FFBERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408490 510395319 /nfs/dbraw/zinc/39/53/19/510395319.db2.gz XRTRIZUHFBDUQO-PBHICJAKSA-N 1 0 362.430 2.538 10 5 FFBERO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000181453454 510418007 /nfs/dbraw/zinc/41/80/07/510418007.db2.gz NLUFWMHSLIJBLU-UHFFFAOYSA-N 1 0 369.368 2.897 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175043244 510455601 /nfs/dbraw/zinc/45/56/01/510455601.db2.gz YJSVWGMRAKEWEG-DOTOQJQBSA-N 1 0 360.458 2.790 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000246573746 510562846 /nfs/dbraw/zinc/56/28/46/510562846.db2.gz NMFVUGCBYNVUAU-KBPBESRZSA-N 1 0 362.386 2.510 10 5 FFBERO O=C(CC[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181746193 510571455 /nfs/dbraw/zinc/57/14/55/510571455.db2.gz MLPZMWJUFJYZPP-HNNXBMFYSA-N 1 0 374.372 2.611 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178749250 510752560 /nfs/dbraw/zinc/75/25/60/510752560.db2.gz IQIWISLLTDAIJO-QGZVFWFLSA-N 1 0 371.441 2.901 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178755060 510755216 /nfs/dbraw/zinc/75/52/16/510755216.db2.gz VAHHTIXUTOGQJQ-KRWDZBQOSA-N 1 0 371.441 2.901 10 5 FFBERO [NH3+]CC1(CCNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000404510740 512968411 /nfs/dbraw/zinc/96/84/11/512968411.db2.gz FEPBCSSGAOIESO-UHFFFAOYSA-N 1 0 361.183 2.740 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000247495250 729598394 /nfs/dbraw/zinc/59/83/94/729598394.db2.gz XEHPVJJHHBBIBB-ZWNOBZJWSA-N 1 0 370.247 2.816 10 5 FFBERO CCn1cc(C[N@@H+]2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cn1 ZINC000106158234 250245609 /nfs/dbraw/zinc/24/56/09/250245609.db2.gz SBTQJRSPJVGYLP-UHFFFAOYSA-N 1 0 373.457 2.528 10 5 FFBERO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000051385443 507768362 /nfs/dbraw/zinc/76/83/62/507768362.db2.gz CMDDMHPZAFAPSD-CQSZACIVSA-N 1 0 358.423 2.639 10 5 FFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867066 507866694 /nfs/dbraw/zinc/86/66/94/507866694.db2.gz MSQDVLVZPKBRDU-PKOBYXMFSA-N 1 0 369.421 2.782 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000116251621 508491802 /nfs/dbraw/zinc/49/18/02/508491802.db2.gz SEQVZCBCLFGJPB-OCCSQVGLSA-N 1 0 360.439 2.692 10 5 FFBERO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000116250325 508492196 /nfs/dbraw/zinc/49/21/96/508492196.db2.gz XRJMBPDFAKXKAH-KSSFIOAISA-N 1 0 368.437 2.939 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122663951 508569275 /nfs/dbraw/zinc/56/92/75/508569275.db2.gz XDEZFYCTRWKHFP-ZYHUDNBSSA-N 1 0 368.231 2.666 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000119565848 508819782 /nfs/dbraw/zinc/81/97/82/508819782.db2.gz ZJFOUWSWXJIPFR-GOSISDBHSA-N 1 0 371.441 2.631 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160498056 508995464 /nfs/dbraw/zinc/99/54/64/508995464.db2.gz CEZWKQIJCKAXFE-QGZVFWFLSA-N 1 0 371.441 2.631 10 5 FFBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000120614797 509031728 /nfs/dbraw/zinc/03/17/28/509031728.db2.gz JLMMSKSLMLDXEZ-LSDHHAIUSA-N 1 0 359.426 2.742 10 5 FFBERO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132927241 509092885 /nfs/dbraw/zinc/09/28/85/509092885.db2.gz QWDTUXPAGFJCBB-MOPGFXCFSA-N 1 0 363.458 2.921 10 5 FFBERO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000177037984 509831280 /nfs/dbraw/zinc/83/12/80/509831280.db2.gz JGAGOULLUMJCFJ-CYBMUJFWSA-N 1 0 365.430 2.558 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180527607 509967987 /nfs/dbraw/zinc/96/79/87/509967987.db2.gz MPKIOYHXIJKXNY-JTQLQIEISA-N 1 0 358.236 2.817 10 5 FFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000245531774 509988089 /nfs/dbraw/zinc/98/80/89/509988089.db2.gz UCHRXVRMDRMXMB-GXFFZTMASA-N 1 0 357.357 2.655 10 5 FFBERO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000194225513 510269906 /nfs/dbraw/zinc/26/99/06/510269906.db2.gz NXFKRSHZTBHANT-UHFFFAOYSA-N 1 0 371.397 2.652 10 5 FFBERO Cc1csc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195328091 510786743 /nfs/dbraw/zinc/78/67/43/510786743.db2.gz MNLDOUIKEKSRTM-AWEZNQCLSA-N 1 0 360.439 2.838 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247093625 510833437 /nfs/dbraw/zinc/83/34/37/510833437.db2.gz DVUOHMSTOBEKOK-CRAIPNDOSA-N 1 0 368.437 2.559 10 5 FFBERO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000121336269 728624789 /nfs/dbraw/zinc/62/47/89/728624789.db2.gz DAEREMBBLKWKBJ-GFCCVEGCSA-N 1 0 358.236 2.616 10 5 FFBERO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171939064 729016189 /nfs/dbraw/zinc/01/61/89/729016189.db2.gz NRTOUCJNKRPOSS-SNVBAGLBSA-N 1 0 360.292 2.806 10 5 FFBERO [NH3+][C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000041030298 249378486 /nfs/dbraw/zinc/37/84/86/249378486.db2.gz ZESKJDSNLWGAKF-SNVBAGLBSA-N 1 0 351.204 2.833 10 5 FFBERO CCn1cnnc1[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000103475526 250152857 /nfs/dbraw/zinc/15/28/57/250152857.db2.gz PZOJFKGBRGRZPX-HNNXBMFYSA-N 1 0 359.430 2.855 10 5 FFBERO Cc1cc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)n1 ZINC000302021144 258082485 /nfs/dbraw/zinc/08/24/85/258082485.db2.gz FHUPCYSHMCNQGN-UHFFFAOYSA-N 1 0 357.414 2.575 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079494626 507967992 /nfs/dbraw/zinc/96/79/92/507967992.db2.gz FGECGNPHQXGATF-CQSZACIVSA-N 1 0 362.430 2.620 10 5 FFBERO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000133845475 508458120 /nfs/dbraw/zinc/45/81/20/508458120.db2.gz BUMIISZJZZPLJP-UHFFFAOYSA-N 1 0 373.450 2.585 10 5 FFBERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839490 508899308 /nfs/dbraw/zinc/89/93/08/508899308.db2.gz NJNXWUOZGHQIGP-GDBMZVCRSA-N 1 0 357.410 2.643 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000160604053 509009113 /nfs/dbraw/zinc/00/91/13/509009113.db2.gz JUXMEJDVBAPMJP-OAHLLOKOSA-N 1 0 351.472 2.924 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1SC ZINC000155767857 509068430 /nfs/dbraw/zinc/06/84/30/509068430.db2.gz VLTYZZLLVCIEMG-AAEUAGOBSA-N 1 0 367.471 2.784 10 5 FFBERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000182344962 509186480 /nfs/dbraw/zinc/18/64/80/509186480.db2.gz NMPMFBJJSPUKLK-HOCLYGCPSA-N 1 0 371.441 2.791 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000162455934 509228749 /nfs/dbraw/zinc/22/87/49/509228749.db2.gz HMCYFQUYUFNKCH-AWEZNQCLSA-N 1 0 362.430 2.620 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182663972 509357661 /nfs/dbraw/zinc/35/76/61/509357661.db2.gz GCMUUCPASOUYKJ-WDEREUQCSA-N 1 0 368.231 2.666 10 5 FFBERO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179503501 509483560 /nfs/dbraw/zinc/48/35/60/509483560.db2.gz POPQPVAJXLERFW-ISPXXFMDSA-N 1 0 367.449 2.959 10 5 FFBERO CN1CC[NH+]([C@@H]2CCCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905891 509487341 /nfs/dbraw/zinc/48/73/41/509487341.db2.gz HXIIWZRBMGAZSZ-QGZVFWFLSA-N 1 0 366.893 2.850 10 5 FFBERO CCOc1cccc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000183149342 509627883 /nfs/dbraw/zinc/62/78/83/509627883.db2.gz ATEAHFRCKCYUNC-CQSZACIVSA-N 1 0 351.447 2.523 10 5 FFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319784 509644951 /nfs/dbraw/zinc/64/49/51/509644951.db2.gz FSDIFAYIMUJUMS-DLBZAZTESA-N 1 0 350.415 2.667 10 5 FFBERO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180123760 509763742 /nfs/dbraw/zinc/76/37/42/509763742.db2.gz OITZVJLBLYSAIN-CYBMUJFWSA-N 1 0 371.384 2.527 10 5 FFBERO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000170863047 509818317 /nfs/dbraw/zinc/81/83/17/509818317.db2.gz FBEBYAHGAFAMFE-INIZCTEOSA-N 1 0 360.458 2.607 10 5 FFBERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183669133 509917345 /nfs/dbraw/zinc/91/73/45/509917345.db2.gz DFPLLKVXPUPVTR-BZNIZROVSA-N 1 0 363.801 2.898 10 5 FFBERO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180667260 510044619 /nfs/dbraw/zinc/04/46/19/510044619.db2.gz BFSSWHYOJXYEMO-ZDUSSCGKSA-N 1 0 365.393 2.730 10 5 FFBERO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171408943 510142487 /nfs/dbraw/zinc/14/24/87/510142487.db2.gz ZJBSXEMDYXTZLE-CQSZACIVSA-N 1 0 373.413 2.570 10 5 FFBERO O=C1CC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000245917609 510205104 /nfs/dbraw/zinc/20/51/04/510205104.db2.gz WHYJJVFLQQQGLA-HNAYVOBHSA-N 1 0 373.453 2.839 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000175040486 510453498 /nfs/dbraw/zinc/45/34/98/510453498.db2.gz HYJHBLOHEPNDPP-GDBMZVCRSA-N 1 0 357.414 2.703 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000175057784 510462437 /nfs/dbraw/zinc/46/24/37/510462437.db2.gz IQICTMHCFIPVRF-GOEBONIOSA-N 1 0 357.414 2.703 10 5 FFBERO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000246694962 510620709 /nfs/dbraw/zinc/62/07/09/510620709.db2.gz NACXFLSPQNTXQZ-GOEBONIOSA-N 1 0 370.409 2.779 10 5 FFBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346431 510682545 /nfs/dbraw/zinc/68/25/45/510682545.db2.gz WRFCADPLSZHNBB-GFCCVEGCSA-N 1 0 366.849 2.745 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247336823 510857606 /nfs/dbraw/zinc/85/76/06/510857606.db2.gz YUDHXABTQFKGCL-FZKQIMNGSA-N 1 0 372.400 2.769 10 5 FFBERO COc1ccccc1CC[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104653531 1004729322 /nfs/dbraw/zinc/72/93/22/1004729322.db2.gz GXWFVESQEFOVFG-UHFFFAOYSA-N 1 0 367.409 2.994 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598453 258058099 /nfs/dbraw/zinc/05/80/99/258058099.db2.gz TYIIMYGVEGJWSE-WDEREUQCSA-N 1 0 355.236 2.815 10 5 FFBERO COc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301641029 258060460 /nfs/dbraw/zinc/06/04/60/258060460.db2.gz MEVDAGFSQMDOQZ-UYAOXDASSA-N 1 0 369.421 2.693 10 5 FFBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107528760 507856228 /nfs/dbraw/zinc/85/62/28/507856228.db2.gz UQHDYQGXZIXJCV-MRXNPFEDSA-N 1 0 360.458 2.874 10 5 FFBERO COc1ccc(OCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000152278067 508414853 /nfs/dbraw/zinc/41/48/53/508414853.db2.gz KWWSKYAAFSBQBW-INIZCTEOSA-N 1 0 359.382 2.531 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127869390 508513005 /nfs/dbraw/zinc/51/30/05/508513005.db2.gz AHBFIEGXGZDING-IRXDYDNUSA-N 1 0 357.414 2.812 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000140372603 508803363 /nfs/dbraw/zinc/80/33/63/508803363.db2.gz DVQDCTYODPXJGB-BEFAXECRSA-N 1 0 361.442 2.859 10 5 FFBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154831856 508864927 /nfs/dbraw/zinc/86/49/27/508864927.db2.gz ALAGFAAGFUZUEG-CQSZACIVSA-N 1 0 356.426 2.993 10 5 FFBERO CCn1cnnc1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155427366 508998652 /nfs/dbraw/zinc/99/86/52/508998652.db2.gz WNWKDMNGKGZNGW-UHFFFAOYSA-N 1 0 359.430 2.855 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000155744765 509063353 /nfs/dbraw/zinc/06/33/53/509063353.db2.gz BNTJILYJKXMJEL-WBVHZDCISA-N 1 0 374.485 2.656 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000182754428 509411110 /nfs/dbraw/zinc/41/11/10/509411110.db2.gz ROHMEAGGGGGCSH-MRXNPFEDSA-N 1 0 357.458 2.906 10 5 FFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000186237770 509594184 /nfs/dbraw/zinc/59/41/84/509594184.db2.gz BVNJAHFWIOFXQV-MDJJKAFGSA-N 1 0 373.453 2.710 10 5 FFBERO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000192823287 509658800 /nfs/dbraw/zinc/65/88/00/509658800.db2.gz BUHRCUJPJUDSIP-ZDUSSCGKSA-N 1 0 371.393 2.680 10 5 FFBERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183669115 509917255 /nfs/dbraw/zinc/91/72/55/509917255.db2.gz DFPLLKVXPUPVTR-ZBEGNZNMSA-N 1 0 363.801 2.898 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245422456 509920285 /nfs/dbraw/zinc/92/02/85/509920285.db2.gz IVNPCOHICHNDGI-JSGCOSHPSA-N 1 0 366.849 2.745 10 5 FFBERO Cc1nc(C[C@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000245837297 510160344 /nfs/dbraw/zinc/16/03/44/510160344.db2.gz DODADKWIHULHIK-TZMCWYRMSA-N 1 0 373.413 2.568 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245957164 510227109 /nfs/dbraw/zinc/22/71/09/510227109.db2.gz QYNATXINNUKYHK-HOCLYGCPSA-N 1 0 371.441 2.900 10 5 FFBERO CCOc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000174914914 510385007 /nfs/dbraw/zinc/38/50/07/510385007.db2.gz NZHOHKKAXHHGDU-AWEZNQCLSA-N 1 0 351.447 2.523 10 5 FFBERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000172021255 510502592 /nfs/dbraw/zinc/50/25/92/510502592.db2.gz WSDRTRKPLYJPME-ZDUSSCGKSA-N 1 0 353.850 2.933 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000246857311 510713197 /nfs/dbraw/zinc/71/31/97/510713197.db2.gz IQPATHVHVFDOFZ-YJBOKZPZSA-N 1 0 360.458 2.796 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375872503 512547105 /nfs/dbraw/zinc/54/71/05/512547105.db2.gz FRQBTYXKAAAKSW-KGLIPLIRSA-N 1 0 362.386 2.592 10 5 FFBERO O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246818482 729591075 /nfs/dbraw/zinc/59/10/75/729591075.db2.gz JTOHCOQZPBMCNI-SJCJKPOMSA-N 1 0 367.833 2.814 10 5 FFBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107708265 250310777 /nfs/dbraw/zinc/31/07/77/250310777.db2.gz CAGNKORSXHCAPG-HNNXBMFYSA-N 1 0 367.471 2.542 10 5 FFBERO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3C[N@H+]3CCC[C@H]3CO)ccc2c1 ZINC000301698796 258063381 /nfs/dbraw/zinc/06/33/81/258063381.db2.gz CLWRFSFWFRAZGL-SJORKVTESA-N 1 0 356.426 2.569 10 5 FFBERO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000106371981 508400026 /nfs/dbraw/zinc/40/00/26/508400026.db2.gz ZRXPZKHXJVYECS-UHFFFAOYSA-N 1 0 371.441 2.839 10 5 FFBERO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000116634662 508540732 /nfs/dbraw/zinc/54/07/32/508540732.db2.gz JRGXVJADYWPJGG-CQSZACIVSA-N 1 0 367.833 2.714 10 5 FFBERO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCOC ZINC000117398923 508596708 /nfs/dbraw/zinc/59/67/08/508596708.db2.gz CHQBOUHOWWFEKU-GFCCVEGCSA-N 1 0 370.837 2.823 10 5 FFBERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153611787 508607309 /nfs/dbraw/zinc/60/73/09/508607309.db2.gz YZQDVDLZXNFJTK-AWEZNQCLSA-N 1 0 362.430 2.620 10 5 FFBERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000123535443 508701832 /nfs/dbraw/zinc/70/18/32/508701832.db2.gz IZFZMQGBVDVOHG-HNNXBMFYSA-N 1 0 359.426 2.743 10 5 FFBERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137021231 508732801 /nfs/dbraw/zinc/73/28/01/508732801.db2.gz UZMIVVVMHDASLZ-QAPCUYQASA-N 1 0 356.426 2.766 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140424115 508804216 /nfs/dbraw/zinc/80/42/16/508804216.db2.gz AJXRZHLGXAOZMU-DNVCBOLYSA-N 1 0 361.442 2.859 10 5 FFBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@]4(O)CCCC[C@@H]4C3)n2)c1 ZINC000160674741 509018514 /nfs/dbraw/zinc/01/85/14/509018514.db2.gz XTILOMBCBSSQHC-KDOFPFPSSA-N 1 0 358.398 2.772 10 5 FFBERO O=c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000173983248 509889071 /nfs/dbraw/zinc/88/90/71/509889071.db2.gz JPXHVUJIDDXWPI-GOSISDBHSA-N 1 0 364.445 2.853 10 5 FFBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618458 510016455 /nfs/dbraw/zinc/01/64/55/510016455.db2.gz HXGBBIWBTYAHRA-GXTWGEPZSA-N 1 0 359.430 2.813 10 5 FFBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000245729682 510111348 /nfs/dbraw/zinc/11/13/48/510111348.db2.gz JLMMSKSLMLDXEZ-GJZGRUSLSA-N 1 0 359.426 2.742 10 5 FFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000245733722 510113542 /nfs/dbraw/zinc/11/35/42/510113542.db2.gz KBNAVHRAMPMIFJ-GDBMZVCRSA-N 1 0 357.414 2.503 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000245930359 510214143 /nfs/dbraw/zinc/21/41/43/510214143.db2.gz UTTJTGPROAHKQF-OAHLLOKOSA-N 1 0 374.441 2.792 10 5 FFBERO Cc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190639377 510255762 /nfs/dbraw/zinc/25/57/62/510255762.db2.gz SUIZKYLMXXMDKZ-KRWDZBQOSA-N 1 0 368.437 2.892 10 5 FFBERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222381 510494924 /nfs/dbraw/zinc/49/49/24/510494924.db2.gz TYEQHUFZHDWWNZ-BBRMVZONSA-N 1 0 356.430 2.746 10 5 FFBERO Cc1c(F)cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000185160021 510720506 /nfs/dbraw/zinc/72/05/06/510720506.db2.gz DPORULQPDLCJHO-UHFFFAOYSA-N 1 0 373.450 2.537 10 5 FFBERO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247316062 510856666 /nfs/dbraw/zinc/85/66/66/510856666.db2.gz MEUPRJRPWLXLFY-SJLPKXTDSA-N 1 0 373.409 2.672 10 5 FFBERO [NH3+]CC[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])C(F)F ZINC000383527478 512881894 /nfs/dbraw/zinc/88/18/94/512881894.db2.gz XWKSNKLRVGKMQO-MRVPVSSYSA-N 1 0 371.125 2.594 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000408253778 513032619 /nfs/dbraw/zinc/03/26/19/513032619.db2.gz AYPFTGBTKIJFRJ-CABCVRRESA-N 1 0 367.471 2.539 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177707605 729144413 /nfs/dbraw/zinc/14/44/13/729144413.db2.gz VRSZOUUKDSVIEN-CYBMUJFWSA-N 1 0 354.838 2.603 10 5 FFBERO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248324374 729602547 /nfs/dbraw/zinc/60/25/47/729602547.db2.gz APMJXXZBZNWIBB-JSGCOSHPSA-N 1 0 366.849 2.745 10 5 FFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732421 249856172 /nfs/dbraw/zinc/85/61/72/249856172.db2.gz YZIXVSCHCIXPID-ZWKOTPCHSA-N 1 0 367.453 2.965 10 5 FFBERO COc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093585550 250038296 /nfs/dbraw/zinc/03/82/96/250038296.db2.gz DDYXNEYRCSBFPA-KDOFPFPSSA-N 1 0 350.415 2.739 10 5 FFBERO C[C@H]1CCC[C@@](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)([NH+](C)C)C1 ZINC000301083402 258023802 /nfs/dbraw/zinc/02/38/02/258023802.db2.gz KXYCAUVTORVDMF-KPZWWZAWSA-N 1 0 362.430 2.848 10 5 FFBERO Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000301987043 258080546 /nfs/dbraw/zinc/08/05/46/258080546.db2.gz DEMDYRRRYSWKDH-KRWDZBQOSA-N 1 0 354.414 2.900 10 5 FFBERO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCOC ZINC000117398928 508596354 /nfs/dbraw/zinc/59/63/54/508596354.db2.gz CHQBOUHOWWFEKU-LBPRGKRZSA-N 1 0 370.837 2.823 10 5 FFBERO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000123931966 508759333 /nfs/dbraw/zinc/75/93/33/508759333.db2.gz UKJCMBGKBLRYJC-UHFFFAOYSA-N 1 0 355.460 2.673 10 5 FFBERO C[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043144 509723150 /nfs/dbraw/zinc/72/31/50/509723150.db2.gz CCHLVXOBTJPPFA-OXJNMPFZSA-N 1 0 355.438 2.995 10 5 FFBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000246494821 510519664 /nfs/dbraw/zinc/51/96/64/510519664.db2.gz XLWGLBNNYLYYSY-GFCCVEGCSA-N 1 0 359.373 2.743 10 5 FFBERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181670653 510530819 /nfs/dbraw/zinc/53/08/19/510530819.db2.gz CMFHWQAQVHXPSE-UHFFFAOYSA-N 1 0 361.377 2.665 10 5 FFBERO Cc1c(Br)cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000178800247 510779364 /nfs/dbraw/zinc/77/93/64/510779364.db2.gz KFHWRFAOHAOWFG-GFCCVEGCSA-N 1 0 368.231 2.586 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247524627 510864198 /nfs/dbraw/zinc/86/41/98/510864198.db2.gz WZIGIVRRLXMKCP-ZBFHGGJFSA-N 1 0 358.442 2.504 10 5 FFBERO Cc1cc(C)n(-c2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2[N+](=O)[O-])n1 ZINC000040645305 205075120 /nfs/dbraw/zinc/07/51/20/205075120.db2.gz XKFJEUZLUZSEQB-UHFFFAOYSA-N 1 0 373.461 2.908 10 5 FFBERO C[C@@H]1CCC[C@@](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301099429 258025224 /nfs/dbraw/zinc/02/52/24/258025224.db2.gz QUJWPQXTESECRH-FZKQIMNGSA-N 1 0 359.430 2.525 10 5 FFBERO CS(=O)(=O)c1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301805042 258068431 /nfs/dbraw/zinc/06/84/31/258068431.db2.gz VGZLIPZDHSVUAR-HNNXBMFYSA-N 1 0 367.471 2.675 10 5 FFBERO C[NH+](C)C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000055051656 506667107 /nfs/dbraw/zinc/66/71/07/506667107.db2.gz LKTOZAKXPPISFG-INIZCTEOSA-N 1 0 357.410 2.783 10 5 FFBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605241 507627276 /nfs/dbraw/zinc/62/72/76/507627276.db2.gz QJJHLRQVXRRBOP-UHFFFAOYSA-N 1 0 372.469 2.895 10 5 FFBERO COc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000152278147 508414704 /nfs/dbraw/zinc/41/47/04/508414704.db2.gz KWWSKYAAFSBQBW-MRXNPFEDSA-N 1 0 359.382 2.531 10 5 FFBERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000123559459 508705878 /nfs/dbraw/zinc/70/58/78/508705878.db2.gz LISPMDDRYDMONR-QGZVFWFLSA-N 1 0 359.426 2.743 10 5 FFBERO Cc1c(NC(=O)[C@H](C)N2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000154658300 508827702 /nfs/dbraw/zinc/82/77/02/508827702.db2.gz NACXFLSPQNTXQZ-HOCLYGCPSA-N 1 0 370.409 2.779 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1CC ZINC000119665440 508840054 /nfs/dbraw/zinc/84/00/54/508840054.db2.gz YAQZGFPXRZMZHZ-MRXNPFEDSA-N 1 0 364.446 2.868 10 5 FFBERO CC1(C)CO[C@H](c2ccccc2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159799677 508892578 /nfs/dbraw/zinc/89/25/78/508892578.db2.gz KLOXDSBOSBGGHJ-KRWDZBQOSA-N 1 0 357.410 2.609 10 5 FFBERO O=C1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000120154916 508939868 /nfs/dbraw/zinc/93/98/68/508939868.db2.gz WHYJJVFLQQQGLA-DNVCBOLYSA-N 1 0 373.453 2.839 10 5 FFBERO COc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])cc1F ZINC000132925714 509092729 /nfs/dbraw/zinc/09/27/29/509092729.db2.gz LURQPEHAINAEEC-RDJZCZTQSA-N 1 0 367.421 2.922 10 5 FFBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374468 509280073 /nfs/dbraw/zinc/28/00/73/509280073.db2.gz QRLRCYVCUSMNHM-WBVHZDCISA-N 1 0 374.441 2.522 10 5 FFBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173315190 509527205 /nfs/dbraw/zinc/52/72/05/509527205.db2.gz JCYIWZFNUISHHL-MRXNPFEDSA-N 1 0 373.413 2.503 10 5 FFBERO CCOc1cccc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000183149363 509627481 /nfs/dbraw/zinc/62/74/81/509627481.db2.gz ATEAHFRCKCYUNC-AWEZNQCLSA-N 1 0 351.447 2.523 10 5 FFBERO COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000180126660 509766478 /nfs/dbraw/zinc/76/64/78/509766478.db2.gz BRMFNYRVMJSKHS-HNNXBMFYSA-N 1 0 360.414 2.782 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253549509 509893272 /nfs/dbraw/zinc/89/32/72/509893272.db2.gz SGIILBRCUYPPGI-JSGCOSHPSA-N 1 0 370.409 2.547 10 5 FFBERO Cn1cc(C[N@@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000255001244 509914132 /nfs/dbraw/zinc/91/41/32/509914132.db2.gz HFEYTTZLYNCELM-DAXSKMNVSA-N 1 0 355.442 2.549 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245420689 509920773 /nfs/dbraw/zinc/92/07/73/509920773.db2.gz HQLFJYWZZPTWRF-CVEARBPZSA-N 1 0 360.458 2.790 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245440728 509935926 /nfs/dbraw/zinc/93/59/26/509935926.db2.gz UVDUDMHEEQISOR-ZBFHGGJFSA-N 1 0 357.414 2.703 10 5 FFBERO C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261596682 509993600 /nfs/dbraw/zinc/99/36/00/509993600.db2.gz MIJVRAWWBGPPDC-GZMMTYOYSA-N 1 0 351.204 2.689 10 5 FFBERO Cc1nc(C[C@@H]2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000245845988 510164558 /nfs/dbraw/zinc/16/45/58/510164558.db2.gz JIIPLIJWTIYVCM-OCCSQVGLSA-N 1 0 373.413 2.568 10 5 FFBERO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000194372686 510332619 /nfs/dbraw/zinc/33/26/19/510332619.db2.gz HJKLZRXARCSBSA-CYBMUJFWSA-N 1 0 359.338 2.605 10 5 FFBERO CCOc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000174914896 510384750 /nfs/dbraw/zinc/38/47/50/510384750.db2.gz NZHOHKKAXHHGDU-CQSZACIVSA-N 1 0 351.447 2.523 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194519439 510406848 /nfs/dbraw/zinc/40/68/48/510406848.db2.gz UWPKVRXVEKLDFV-LBPRGKRZSA-N 1 0 370.409 2.988 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246616735 510585816 /nfs/dbraw/zinc/58/58/16/510585816.db2.gz DVQDCTYODPXJGB-KXBFYZLASA-N 1 0 361.442 2.859 10 5 FFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346258 510682008 /nfs/dbraw/zinc/68/20/08/510682008.db2.gz XSGNQUKPNQIRFP-ZDUSSCGKSA-N 1 0 357.414 2.876 10 5 FFBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000182225625 510823305 /nfs/dbraw/zinc/82/33/05/510823305.db2.gz ICAIXAUDQFONEB-KBPBESRZSA-N 1 0 363.439 2.671 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247093639 510832894 /nfs/dbraw/zinc/83/28/94/510832894.db2.gz DVUOHMSTOBEKOK-MAUKXSAKSA-N 1 0 368.437 2.559 10 5 FFBERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247556165 510865651 /nfs/dbraw/zinc/86/56/51/510865651.db2.gz UBVHTJNPPQNCFS-CRAIPNDOSA-N 1 0 368.437 2.939 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000177707198 729144054 /nfs/dbraw/zinc/14/40/54/729144054.db2.gz YTDXMAVRNCLXIM-GXTWGEPZSA-N 1 0 368.865 2.991 10 5 FFBERO CN(CC[N+]1(C)CCCC1)C(=O)[C@](O)(c1cccs1)c1ccccc1 ZINC000001842929 204020672 /nfs/dbraw/zinc/02/06/72/204020672.db2.gz JTZHVSMDSHENLZ-HXUWFJFHSA-N 1 0 359.515 2.683 10 5 in-man FFBERO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000106186061 250250684 /nfs/dbraw/zinc/25/06/84/250250684.db2.gz JEYHZXSWKIWFAS-UHFFFAOYSA-N 1 0 357.414 2.532 10 5 FFBERO CC[NH+]1CCN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])cn2)CC1 ZINC000302787601 258110891 /nfs/dbraw/zinc/11/08/91/258110891.db2.gz BBAJUHQSLIACHI-UHFFFAOYSA-N 1 0 359.405 2.883 10 5 FFBERO C[C@H]1C[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301970313 258078613 /nfs/dbraw/zinc/07/86/13/258078613.db2.gz RFPGFZAVIGCOSW-HOCLYGCPSA-N 1 0 366.425 2.960 10 5 FFBERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303855 507842647 /nfs/dbraw/zinc/84/26/47/507842647.db2.gz MHPFEGSOQKNADE-XJKSGUPXSA-N 1 0 356.430 2.746 10 5 FFBERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000116253036 508493273 /nfs/dbraw/zinc/49/32/73/508493273.db2.gz UBVHTJNPPQNCFS-YJBOKZPZSA-N 1 0 368.437 2.939 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000119665586 508839706 /nfs/dbraw/zinc/83/97/06/508839706.db2.gz YAQZGFPXRZMZHZ-INIZCTEOSA-N 1 0 364.446 2.868 10 5 FFBERO CN1CC[NH+]([C@H]2CCCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905910 509487517 /nfs/dbraw/zinc/48/75/17/509487517.db2.gz HXIIWZRBMGAZSZ-KRWDZBQOSA-N 1 0 366.893 2.850 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464848 509498485 /nfs/dbraw/zinc/49/84/85/509498485.db2.gz LLXHEHSDRLSFPF-PWSUYJOCSA-N 1 0 368.231 2.666 10 5 FFBERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188202 509646888 /nfs/dbraw/zinc/64/68/88/509646888.db2.gz OTLCJKUXECMFFK-MFKMUULPSA-N 1 0 360.357 2.904 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177026668 509826488 /nfs/dbraw/zinc/82/64/88/509826488.db2.gz UTPSJYBOHXDCBF-MRXNPFEDSA-N 1 0 360.458 2.751 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193519157 509948014 /nfs/dbraw/zinc/94/80/14/509948014.db2.gz RLLWEVVYDJVPLW-CYBMUJFWSA-N 1 0 361.471 2.900 10 5 FFBERO CC(C)(C)OC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248013 510023164 /nfs/dbraw/zinc/02/31/64/510023164.db2.gz AWJNLJDGKIYUEC-OAHLLOKOSA-N 1 0 352.431 2.614 10 5 FFBERO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000180875062 510157836 /nfs/dbraw/zinc/15/78/36/510157836.db2.gz UNQYMJAEEHHQNS-ZDUSSCGKSA-N 1 0 373.409 2.926 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190626022 510247727 /nfs/dbraw/zinc/24/77/27/510247727.db2.gz ZMOFHLVMWMAAMX-INIZCTEOSA-N 1 0 354.410 2.584 10 5 FFBERO Cn1cc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068135 510525866 /nfs/dbraw/zinc/52/58/66/510525866.db2.gz YQROFCYSOMLZCR-ICSRJNTNSA-N 1 0 364.405 2.743 10 5 FFBERO Cn1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000181682927 510537182 /nfs/dbraw/zinc/53/71/82/510537182.db2.gz FNQWRLJNCBVPKZ-MRXNPFEDSA-N 1 0 361.377 2.633 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000246576149 510564707 /nfs/dbraw/zinc/56/47/07/510564707.db2.gz NMFVUGCBYNVUAU-KGLIPLIRSA-N 1 0 362.386 2.510 10 5 FFBERO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000182189489 510803922 /nfs/dbraw/zinc/80/39/22/510803922.db2.gz DWSLHMQXEYVMKO-CYBMUJFWSA-N 1 0 364.423 2.728 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000247258836 510854386 /nfs/dbraw/zinc/85/43/86/510854386.db2.gz QFQSEWKERRVCEL-RHSMWYFYSA-N 1 0 354.410 2.630 10 5 FFBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247807843 510870949 /nfs/dbraw/zinc/87/09/49/510870949.db2.gz TWAJPDPJDGMKTA-SJLPKXTDSA-N 1 0 374.441 2.522 10 5 FFBERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183068 513016255 /nfs/dbraw/zinc/01/62/55/513016255.db2.gz NUCRAUOYUZUFRK-DOTOQJQBSA-N 1 0 372.469 2.894 10 5 FFBERO O=[N+]([O-])c1ccc(Br)cc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000121336115 728624669 /nfs/dbraw/zinc/62/46/69/728624669.db2.gz DAEREMBBLKWKBJ-LBPRGKRZSA-N 1 0 358.236 2.616 10 5 FFBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@H]1CC ZINC000175099707 729086985 /nfs/dbraw/zinc/08/69/85/729086985.db2.gz BOHFLPOGOLPLOD-MRXNPFEDSA-N 1 0 351.447 2.678 10 5 FFBERO COc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093585548 250038530 /nfs/dbraw/zinc/03/85/30/250038530.db2.gz DDYXNEYRCSBFPA-RDTXWAMCSA-N 1 0 350.415 2.739 10 5 FFBERO CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000153539483 251150429 /nfs/dbraw/zinc/15/04/29/251150429.db2.gz TXQAHJAGLGIUHZ-RHSMWYFYSA-N 1 0 374.441 2.527 10 5 FFBERO C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783501 506249150 /nfs/dbraw/zinc/24/91/50/506249150.db2.gz SFLMANDUAZEQSE-VIFPVBQESA-N 1 0 351.204 2.704 10 5 FFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152450957 508448938 /nfs/dbraw/zinc/44/89/38/508448938.db2.gz IAQGSDAZAMYLPC-INIZCTEOSA-N 1 0 370.409 2.780 10 5 FFBERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000116244573 508490934 /nfs/dbraw/zinc/49/09/34/508490934.db2.gz JQXPSHBOZXCIFV-HNAYVOBHSA-N 1 0 368.437 2.939 10 5 FFBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([NH+]2CCCC2)CC1 ZINC000134145683 508500044 /nfs/dbraw/zinc/50/00/44/508500044.db2.gz YPNWEODVCFVGFB-UHFFFAOYSA-N 1 0 354.410 2.843 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000123367919 508676288 /nfs/dbraw/zinc/67/62/88/508676288.db2.gz IITQSYFXSMPVTE-SFHVURJKSA-N 1 0 357.458 2.911 10 5 FFBERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136896552 508722864 /nfs/dbraw/zinc/72/28/64/508722864.db2.gz PIOAISFIRDQQTC-APWZRJJASA-N 1 0 369.421 2.979 10 5 FFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000140526028 508806371 /nfs/dbraw/zinc/80/63/71/508806371.db2.gz KSCYIQDUJVDUIX-BEFAXECRSA-N 1 0 361.442 2.859 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575210 508812763 /nfs/dbraw/zinc/81/27/63/508812763.db2.gz AQEZSAOLUPZNHS-SUMWQHHRSA-N 1 0 357.414 2.591 10 5 FFBERO Cn1ccnc1CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125261179 508956537 /nfs/dbraw/zinc/95/65/37/508956537.db2.gz OZYUTYMLAINHHT-UHFFFAOYSA-N 1 0 371.441 2.535 10 5 FFBERO CCOCC[N@@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000125516333 508993322 /nfs/dbraw/zinc/99/33/22/508993322.db2.gz YAPPVXNQDWRZKY-ZDUSSCGKSA-N 1 0 355.410 2.680 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161441178 509115863 /nfs/dbraw/zinc/11/58/63/509115863.db2.gz QGVJDNSHFQNKGB-JTQLQIEISA-N 1 0 358.236 2.817 10 5 FFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000248373339 509279025 /nfs/dbraw/zinc/27/90/25/509279025.db2.gz ICAIXAUDQFONEB-ZIAGYGMSSA-N 1 0 363.439 2.671 10 5 FFBERO CN1CC[NH+]([C@H]2CCCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901635 509485694 /nfs/dbraw/zinc/48/56/94/509485694.db2.gz RTKQCVSTENBBFJ-KRWDZBQOSA-N 1 0 366.893 2.850 10 5 FFBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173315180 509526068 /nfs/dbraw/zinc/52/60/68/509526068.db2.gz JCYIWZFNUISHHL-INIZCTEOSA-N 1 0 373.413 2.503 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245675153 510075533 /nfs/dbraw/zinc/07/55/33/510075533.db2.gz GOVLNBXEPRZTGZ-GWCFXTLKSA-N 1 0 368.231 2.666 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000190448540 510137928 /nfs/dbraw/zinc/13/79/28/510137928.db2.gz YNCZTUKXHSGTNF-CQSZACIVSA-N 1 0 361.833 2.997 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190544655 510195967 /nfs/dbraw/zinc/19/59/67/510195967.db2.gz OLRNPFLYSXMQGP-CQSZACIVSA-N 1 0 374.466 2.954 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190591119 510227931 /nfs/dbraw/zinc/22/79/31/510227931.db2.gz NFQWDWJTHGLCGY-GOSISDBHSA-N 1 0 368.437 2.513 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190640690 510255112 /nfs/dbraw/zinc/25/51/12/510255112.db2.gz IPUJIZLNYDDSCC-AWEZNQCLSA-N 1 0 360.439 2.645 10 5 FFBERO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923778 510748956 /nfs/dbraw/zinc/74/89/56/510748956.db2.gz NAMXVAZLCAUTKH-IUODEOHRSA-N 1 0 366.849 2.603 10 5 FFBERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272104 510751057 /nfs/dbraw/zinc/75/10/57/510751057.db2.gz VILCDCVLGPSPMJ-GOSISDBHSA-N 1 0 370.453 2.823 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247286861 510855410 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KRJBIRBIKAIWAZ-HNNXBMFYSA-N 1 0 371.441 2.517 10 5 FFBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106075134 508391895 /nfs/dbraw/zinc/39/18/95/508391895.db2.gz GPPVJXGWOCQXJI-KRWDZBQOSA-N 1 0 371.441 2.755 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000116246931 508491749 /nfs/dbraw/zinc/49/17/49/508491749.db2.gz QHLGCPMRTSFGCB-KDOFPFPSSA-N 1 0 354.410 2.630 10 5 FFBERO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000154245774 508744788 /nfs/dbraw/zinc/74/47/88/508744788.db2.gz BJDZYCLBCYMUBI-UHFFFAOYSA-N 1 0 373.375 2.910 10 5 FFBERO CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357725 509193456 /nfs/dbraw/zinc/19/34/56/509193456.db2.gz KRODVNBJUUHTMO-SJORKVTESA-N 1 0 371.441 2.873 10 5 FFBERO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248505961 509346351 /nfs/dbraw/zinc/34/63/51/509346351.db2.gz WMFFDRYFUDGBJM-HZPDHXFCSA-N 1 0 351.378 2.706 10 5 FFBERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249254278 509640448 /nfs/dbraw/zinc/64/04/48/509640448.db2.gz GBYUQADAAPWEQK-SCLBCKFNSA-N 1 0 365.405 2.690 10 5 FFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319825 509644767 /nfs/dbraw/zinc/64/47/67/509644767.db2.gz FSDIFAYIMUJUMS-IAGOWNOFSA-N 1 0 350.415 2.667 10 5 FFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319846 509645551 /nfs/dbraw/zinc/64/55/51/509645551.db2.gz FSDIFAYIMUJUMS-SJORKVTESA-N 1 0 350.415 2.667 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177024162 509823969 /nfs/dbraw/zinc/82/39/69/509823969.db2.gz SIMQNOSYHDHOML-GFCCVEGCSA-N 1 0 370.247 2.914 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000190448518 510137956 /nfs/dbraw/zinc/13/79/56/510137956.db2.gz YNCZTUKXHSGTNF-AWEZNQCLSA-N 1 0 361.833 2.997 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190578933 510219312 /nfs/dbraw/zinc/21/93/12/510219312.db2.gz YAXVRNMOYWSGHK-QGZVFWFLSA-N 1 0 368.437 2.892 10 5 FFBERO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000194232365 510272731 /nfs/dbraw/zinc/27/27/31/510272731.db2.gz PEJLRQFIWIZWOT-UHFFFAOYSA-N 1 0 371.397 2.652 10 5 FFBERO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184614355 510418697 /nfs/dbraw/zinc/41/86/97/510418697.db2.gz DPGSUCKTQWIKLE-LLVKDONJSA-N 1 0 358.320 2.926 10 5 FFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712562 510490683 /nfs/dbraw/zinc/49/06/83/510490683.db2.gz LVGUAEUGICGCOU-JKSUJKDBSA-N 1 0 365.386 2.567 10 5 FFBERO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000175186550 510522617 /nfs/dbraw/zinc/52/26/17/510522617.db2.gz SBWWPIQMBZTGQU-KRWDZBQOSA-N 1 0 371.441 2.884 10 5 FFBERO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCO1 ZINC000182080365 510746052 /nfs/dbraw/zinc/74/60/52/510746052.db2.gz DAXVQULHKUSAGT-CYBMUJFWSA-N 1 0 353.850 2.933 10 5 FFBERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750335 /nfs/dbraw/zinc/75/03/35/510750335.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 1 0 370.453 2.823 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246987578 510784108 /nfs/dbraw/zinc/78/41/08/510784108.db2.gz LFMOLASNCFSYJB-OCCSQVGLSA-N 1 0 367.833 2.712 10 5 FFBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000311403537 511775955 /nfs/dbraw/zinc/77/59/55/511775955.db2.gz UUMOGISDZSKRCW-ZDUSSCGKSA-N 1 0 358.398 2.709 10 5 FFBERO CNc1c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000311379126 511776569 /nfs/dbraw/zinc/77/65/69/511776569.db2.gz APDKPRZGCGACMB-AWEZNQCLSA-N 1 0 356.426 2.887 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177707618 729144353 /nfs/dbraw/zinc/14/43/53/729144353.db2.gz VRSZOUUKDSVIEN-ZDUSSCGKSA-N 1 0 354.838 2.603 10 5 FFBERO O=C(NCCC[NH+]1CCCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037977451 207785315 /nfs/dbraw/zinc/78/53/15/207785315.db2.gz DZJCAGOFBYPFKF-UHFFFAOYSA-N 1 0 356.220 2.573 10 5 FFBERO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC1([NH+]2CCCCC2)CCOCC1 ZINC000078599388 507887352 /nfs/dbraw/zinc/88/73/52/507887352.db2.gz YOESPZSKDDLLPV-CMDGGOBGSA-N 1 0 373.453 2.759 10 5 FFBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000078689643 507897698 /nfs/dbraw/zinc/89/76/98/507897698.db2.gz QGKWQUNDBIVYOO-OAHLLOKOSA-N 1 0 368.437 2.795 10 5 FFBERO CN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128970926 508665706 /nfs/dbraw/zinc/66/57/06/508665706.db2.gz VOJGXXYLBFAEKZ-SJORKVTESA-N 1 0 357.414 2.528 10 5 FFBERO Cc1c(NC(=O)CC[NH+]2CCC(c3cc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000160534143 508999453 /nfs/dbraw/zinc/99/94/53/508999453.db2.gz UWBLXWYGEDLMLJ-UHFFFAOYSA-N 1 0 357.414 2.835 10 5 FFBERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178522 509145794 /nfs/dbraw/zinc/14/57/94/509145794.db2.gz JXSDWHOUTSKKMN-SJORKVTESA-N 1 0 361.442 2.863 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000248409514 509302765 /nfs/dbraw/zinc/30/27/65/509302765.db2.gz GCMUUCPASOUYKJ-MNOVXSKESA-N 1 0 368.231 2.666 10 5 FFBERO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315864 509527390 /nfs/dbraw/zinc/52/73/90/509527390.db2.gz ONUBAVLLWQOWCN-QRWLVFNGSA-N 1 0 355.438 2.665 10 5 FFBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186548632 509765111 /nfs/dbraw/zinc/76/51/11/509765111.db2.gz ASGBLWASBLBTIB-JTQLQIEISA-N 1 0 368.231 2.714 10 5 FFBERO C[C@@H]1CN(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429080 509911953 /nfs/dbraw/zinc/91/19/53/509911953.db2.gz LQTMPWOYGSJBGD-MRXNPFEDSA-N 1 0 363.458 2.549 10 5 FFBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180951352 510202562 /nfs/dbraw/zinc/20/25/62/510202562.db2.gz UPHBWMVUHBUESH-HNNXBMFYSA-N 1 0 373.434 2.768 10 5 FFBERO Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171653033 510284671 /nfs/dbraw/zinc/28/46/71/510284671.db2.gz IPNAAFMTPAPPKD-HNNXBMFYSA-N 1 0 369.425 2.671 10 5 FFBERO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000191081478 510494535 /nfs/dbraw/zinc/49/45/35/510494535.db2.gz ODXBJTZUMXTNSD-UXHICEINSA-N 1 0 372.421 2.568 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172496659 510754798 /nfs/dbraw/zinc/75/47/98/510754798.db2.gz IQPATHVHVFDOFZ-MAUKXSAKSA-N 1 0 360.458 2.796 10 5 FFBERO COc1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1OC ZINC000092812645 250002587 /nfs/dbraw/zinc/00/25/87/250002587.db2.gz DWMXLBBPJFBFHL-AWEZNQCLSA-N 1 0 372.425 2.941 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103188901 250138626 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2.939 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116251829 508491713 /nfs/dbraw/zinc/49/17/13/508491713.db2.gz TVCVTHRMRMHYQR-KXBFYZLASA-N 1 0 368.437 2.939 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154564944 508810181 /nfs/dbraw/zinc/81/01/81/508810181.db2.gz FQEKDYCFPKIJBJ-QGZVFWFLSA-N 1 0 357.414 2.593 10 5 FFBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000120601444 509029401 /nfs/dbraw/zinc/02/94/01/509029401.db2.gz BHFQKKAFUHLNOQ-HUUCEWRRSA-N 1 0 359.426 2.742 10 5 FFBERO CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357708 509192459 /nfs/dbraw/zinc/19/24/59/509192459.db2.gz KRODVNBJUUHTMO-IRXDYDNUSA-N 1 0 371.441 2.873 10 5 FFBERO COc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000173700550 509728107 /nfs/dbraw/zinc/72/81/07/509728107.db2.gz ZHAKTSXYPUZLPE-OAHLLOKOSA-N 1 0 360.414 2.824 10 5 FFBERO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261596683 509993264 /nfs/dbraw/zinc/99/32/64/509993264.db2.gz MIJVRAWWBGPPDC-LDYMZIIASA-N 1 0 351.204 2.689 10 5 FFBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000245733727 510112711 /nfs/dbraw/zinc/11/27/11/510112711.db2.gz KBNAVHRAMPMIFJ-ZBFHGGJFSA-N 1 0 357.414 2.503 10 5 FFBERO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000180875079 510157063 /nfs/dbraw/zinc/15/70/63/510157063.db2.gz UNQYMJAEEHHQNS-CYBMUJFWSA-N 1 0 373.409 2.926 10 5 FFBERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246742201 510647492 /nfs/dbraw/zinc/64/74/92/510647492.db2.gz BALLVAGIJWENRH-XEZPLFJOSA-N 1 0 351.472 2.920 10 5 FFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247545770 510865178 /nfs/dbraw/zinc/86/51/78/510865178.db2.gz RPRAHEGLKOBBED-TZMCWYRMSA-N 1 0 368.397 2.929 10 5 FFBERO C[C@H]1[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814516 512586242 /nfs/dbraw/zinc/58/62/42/512586242.db2.gz FBQNREOLPRPMAL-PBHICJAKSA-N 1 0 359.426 2.591 10 5 FFBERO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000583622185 519344032 /nfs/dbraw/zinc/34/40/32/519344032.db2.gz WDPLNNIOQCEPJI-AWEZNQCLSA-N 1 0 371.441 2.920 10 5 FFBERO Cc1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104405387 508334020 /nfs/dbraw/zinc/33/40/20/508334020.db2.gz OWUMGYACFOPPGC-UHFFFAOYSA-N 1 0 362.386 2.512 10 5 FFBERO CCOC(=O)c1cc(OC)c(OCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000116671831 508544942 /nfs/dbraw/zinc/54/49/42/508544942.db2.gz YKLVXLQPUAUIGF-UHFFFAOYSA-N 1 0 352.387 2.501 10 5 FFBERO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128971361 508665388 /nfs/dbraw/zinc/66/53/88/508665388.db2.gz VOJGXXYLBFAEKZ-IAGOWNOFSA-N 1 0 357.414 2.528 10 5 FFBERO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000123756123 508734219 /nfs/dbraw/zinc/73/42/19/508734219.db2.gz JTCZVDVFXQTFGX-KBPBESRZSA-N 1 0 369.487 2.778 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1CC ZINC000119667260 508840181 /nfs/dbraw/zinc/84/01/81/508840181.db2.gz REFBLKKHZKSQSL-OAHLLOKOSA-N 1 0 364.446 2.868 10 5 FFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292140 509628793 /nfs/dbraw/zinc/62/87/93/509628793.db2.gz BRIRSYQVBHPAFZ-SJORKVTESA-N 1 0 350.415 2.667 10 5 FFBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180951328 510203011 /nfs/dbraw/zinc/20/30/11/510203011.db2.gz UPHBWMVUHBUESH-OAHLLOKOSA-N 1 0 373.434 2.768 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190559647 510206284 /nfs/dbraw/zinc/20/62/84/510206284.db2.gz SLZXVZUAGRVJAI-CQSZACIVSA-N 1 0 374.466 2.954 10 5 FFBERO Cc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000190589168 510226135 /nfs/dbraw/zinc/22/61/35/510226135.db2.gz DGOSQDJHUKXGQK-KRWDZBQOSA-N 1 0 368.437 2.892 10 5 FFBERO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171832167 510398382 /nfs/dbraw/zinc/39/83/82/510398382.db2.gz XRWHSBBKSHRJTM-AWEZNQCLSA-N 1 0 358.442 2.672 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246674176 510612524 /nfs/dbraw/zinc/61/25/24/510612524.db2.gz IFKFKLVHOQKDBI-DNVCBOLYSA-N 1 0 368.437 2.559 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247144474 510844913 /nfs/dbraw/zinc/84/49/13/510844913.db2.gz HXAISSZQIYKVKR-SUMWQHHRSA-N 1 0 372.400 2.769 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247336839 510857557 /nfs/dbraw/zinc/85/75/57/510857557.db2.gz YUDHXABTQFKGCL-SCLBCKFNSA-N 1 0 372.400 2.769 10 5 FFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247545759 510865252 /nfs/dbraw/zinc/86/52/52/510865252.db2.gz RPRAHEGLKOBBED-GXTWGEPZSA-N 1 0 368.397 2.929 10 5 FFBERO Nc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1[N+](=O)[O-] ZINC000311703890 511777912 /nfs/dbraw/zinc/77/79/12/511777912.db2.gz UWZIBIQJWPVDAA-HLLBOEOZSA-N 1 0 353.426 2.895 10 5 FFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000588443969 964989782 /nfs/dbraw/zinc/98/97/82/964989782.db2.gz RIWKTDPUPGEXFM-WPTSLCKYSA-N 1 0 361.442 2.614 10 5 FFBERO Cn1ccnc1CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000106166681 250246833 /nfs/dbraw/zinc/24/68/33/250246833.db2.gz BFNYZOMKSSJFBH-UHFFFAOYSA-N 1 0 371.441 2.612 10 5 FFBERO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000106185995 250251480 /nfs/dbraw/zinc/25/14/80/250251480.db2.gz AXNCKNQOHFWSME-UHFFFAOYSA-N 1 0 357.414 2.532 10 5 FFBERO C[NH+](C)C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000055051657 506668022 /nfs/dbraw/zinc/66/80/22/506668022.db2.gz LKTOZAKXPPISFG-MRXNPFEDSA-N 1 0 357.410 2.783 10 5 FFBERO O=[N+]([O-])c1c(Nc2cnn(CC[NH+]3CCCCC3)c2)nc2sccn21 ZINC000092978322 508111735 /nfs/dbraw/zinc/11/17/35/508111735.db2.gz JOMSFONRXXHRLM-UHFFFAOYSA-N 1 0 361.431 2.730 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000140424290 508804469 /nfs/dbraw/zinc/80/44/69/508804469.db2.gz AJXRZHLGXAOZMU-BEFAXECRSA-N 1 0 361.442 2.859 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160533722 508999398 /nfs/dbraw/zinc/99/93/98/508999398.db2.gz KVJHWYCMCQUBLH-UHFFFAOYSA-N 1 0 357.414 2.835 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121382217 509170838 /nfs/dbraw/zinc/17/08/38/509170838.db2.gz GOVLNBXEPRZTGZ-GXFFZTMASA-N 1 0 368.231 2.666 10 5 FFBERO Cc1cccc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000173055692 509370714 /nfs/dbraw/zinc/37/07/14/509370714.db2.gz QBFJPYRPUCLQOR-UHFFFAOYSA-N 1 0 354.410 2.626 10 5 FFBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248760797 509473390 /nfs/dbraw/zinc/47/33/90/509473390.db2.gz JOOOIYZFZJBGPL-NVXWUHKLSA-N 1 0 368.437 2.939 10 5 FFBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186507014 509746079 /nfs/dbraw/zinc/74/60/79/509746079.db2.gz ADVQDHQZAODZCW-OAHLLOKOSA-N 1 0 358.442 2.552 10 5 FFBERO COc1ccc(OCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000173779570 509772218 /nfs/dbraw/zinc/77/22/18/509772218.db2.gz XHVPUSRASYIQBG-OAHLLOKOSA-N 1 0 372.425 2.811 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177026684 509825510 /nfs/dbraw/zinc/82/55/10/509825510.db2.gz UTPSJYBOHXDCBF-INIZCTEOSA-N 1 0 360.458 2.751 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000245441360 509936045 /nfs/dbraw/zinc/93/60/45/509936045.db2.gz VISDCXCFPDAYPI-RDJZCZTQSA-N 1 0 360.458 2.790 10 5 FFBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000245759808 510132464 /nfs/dbraw/zinc/13/24/64/510132464.db2.gz PLGMZCXASNTWDK-CABCVRRESA-N 1 0 359.426 2.742 10 5 FFBERO CC[C@H]([NH2+]CC(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181549713 510468669 /nfs/dbraw/zinc/46/86/69/510468669.db2.gz MAHVCVFEQCDGHK-KRWDZBQOSA-N 1 0 357.410 2.961 10 5 FFBERO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000246409812 510474358 /nfs/dbraw/zinc/47/43/58/510474358.db2.gz QPWWKOWRRFKPAL-WMLDXEAASA-N 1 0 370.453 2.933 10 5 FFBERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1[N+](=O)[O-] ZINC000247305454 510856262 /nfs/dbraw/zinc/85/62/62/510856262.db2.gz VJTXZCKLPOVSLQ-QAPCUYQASA-N 1 0 368.437 2.939 10 5 FFBERO C[NH2+][C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000133108386 728726241 /nfs/dbraw/zinc/72/62/41/728726241.db2.gz ORJDYOZBHYHSRU-SNVBAGLBSA-N 1 0 351.204 2.704 10 5 FFBERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000103475524 250152885 /nfs/dbraw/zinc/15/28/85/250152885.db2.gz PZOJFKGBRGRZPX-OAHLLOKOSA-N 1 0 359.430 2.855 10 5 FFBERO C[C@H]1CCC[C@@](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301099430 258025307 /nfs/dbraw/zinc/02/53/07/258025307.db2.gz QUJWPQXTESECRH-SCLBCKFNSA-N 1 0 359.430 2.525 10 5 FFBERO Cc1c(NC(=O)[C@@H](C)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000066533581 506547777 /nfs/dbraw/zinc/54/77/77/506547777.db2.gz ZGUJSBXONRBOEO-OAHLLOKOSA-N 1 0 360.458 2.790 10 5 FFBERO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccncc2)CC1 ZINC000058496536 507427774 /nfs/dbraw/zinc/42/77/74/507427774.db2.gz IJFFQEMVZZYFCI-AATRIKPKSA-N 1 0 366.421 2.784 10 5 FFBERO CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCCO1 ZINC000106867463 507825210 /nfs/dbraw/zinc/82/52/10/507825210.db2.gz KZULWFFKNYYLRJ-KRWDZBQOSA-N 1 0 361.442 2.765 10 5 FFBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524767 507855800 /nfs/dbraw/zinc/85/58/00/507855800.db2.gz XSSWDLGJUVJZPD-AWEZNQCLSA-N 1 0 362.386 2.594 10 5 FFBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867067 507866815 /nfs/dbraw/zinc/86/68/15/507866815.db2.gz MSQDVLVZPKBRDU-HKUYNNGSSA-N 1 0 369.421 2.782 10 5 FFBERO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000078689646 507897796 /nfs/dbraw/zinc/89/77/96/507897796.db2.gz QGKWQUNDBIVYOO-HNNXBMFYSA-N 1 0 368.437 2.795 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000116251622 508491470 /nfs/dbraw/zinc/49/14/70/508491470.db2.gz SEQVZCBCLFGJPB-JSGCOSHPSA-N 1 0 360.439 2.692 10 5 FFBERO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([NH+]2CCCC2)CC1 ZINC000128182199 508559526 /nfs/dbraw/zinc/55/95/26/508559526.db2.gz BRXVHQLJKBNLCY-UHFFFAOYSA-N 1 0 356.426 2.705 10 5 FFBERO C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000123986270 508767302 /nfs/dbraw/zinc/76/73/02/508767302.db2.gz FRAJAAIKZXARJH-DYVFJYSZSA-N 1 0 369.487 2.921 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154564839 508810169 /nfs/dbraw/zinc/81/01/69/508810169.db2.gz FQEKDYCFPKIJBJ-KRWDZBQOSA-N 1 0 357.414 2.593 10 5 FFBERO Cc1c(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000124333174 508816386 /nfs/dbraw/zinc/81/63/86/508816386.db2.gz SVUZYNVGNNUZRK-ZDUSSCGKSA-N 1 0 362.430 2.620 10 5 FFBERO COc1ccc([C@H]2C[C@H](C)[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839350 508899591 /nfs/dbraw/zinc/89/95/91/508899591.db2.gz NJNXWUOZGHQIGP-HOCLYGCPSA-N 1 0 357.410 2.643 10 5 FFBERO CN1CC[NH+]([C@@H]2CCCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000127084814 509165496 /nfs/dbraw/zinc/16/54/96/509165496.db2.gz FBSGWUGOXHZSBG-MRXNPFEDSA-N 1 0 369.469 2.749 10 5 FFBERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357687 509192973 /nfs/dbraw/zinc/19/29/73/509192973.db2.gz KRODVNBJUUHTMO-IAGOWNOFSA-N 1 0 371.441 2.873 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464846 509498127 /nfs/dbraw/zinc/49/81/27/509498127.db2.gz LLXHEHSDRLSFPF-CMPLNLGQSA-N 1 0 368.231 2.666 10 5 FFBERO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189344258 509530141 /nfs/dbraw/zinc/53/01/41/509530141.db2.gz OQIJLXZQXGLOFE-CVEARBPZSA-N 1 0 354.765 2.571 10 5 FFBERO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170858999 509816138 /nfs/dbraw/zinc/81/61/38/509816138.db2.gz ULGVQEJRCAEDRM-MRXNPFEDSA-N 1 0 360.458 2.607 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000245421416 509921143 /nfs/dbraw/zinc/92/11/43/509921143.db2.gz HYJHBLOHEPNDPP-HOCLYGCPSA-N 1 0 357.414 2.703 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245459597 509947853 /nfs/dbraw/zinc/94/78/53/509947853.db2.gz DOTKZSOIKSIEQV-OCCSQVGLSA-N 1 0 368.865 2.991 10 5 FFBERO CCOc1cccc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000184051070 510105101 /nfs/dbraw/zinc/10/51/01/510105101.db2.gz QCTKHDPAZRQRQR-KRWDZBQOSA-N 1 0 371.437 2.825 10 5 FFBERO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000191081460 510494985 /nfs/dbraw/zinc/49/49/85/510494985.db2.gz ODXBJTZUMXTNSD-PMACEKPBSA-N 1 0 372.421 2.568 10 5 FFBERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247172911 510848531 /nfs/dbraw/zinc/84/85/31/510848531.db2.gz JQXPSHBOZXCIFV-BEFAXECRSA-N 1 0 368.437 2.939 10 5 FFBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177077 250248636 /nfs/dbraw/zinc/24/86/36/250248636.db2.gz MHOATNPTYVTRQO-QGZVFWFLSA-N 1 0 373.457 2.984 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106180968 250252002 /nfs/dbraw/zinc/25/20/02/250252002.db2.gz HUIJAALFYRRELX-HNNXBMFYSA-N 1 0 359.430 2.724 10 5 FFBERO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@@H+](C2CC2)CC1 ZINC000181166110 251252343 /nfs/dbraw/zinc/25/23/43/251252343.db2.gz OLQIFIAKFSTTCO-UHFFFAOYSA-N 1 0 355.341 2.507 10 5 FFBERO Cn1cc([C@H](CNc2ccc(Br)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301265309 258038353 /nfs/dbraw/zinc/03/83/53/258038353.db2.gz FESJIMHROMXYPB-AWEZNQCLSA-N 1 0 368.235 2.806 10 5 FFBERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396300 506506732 /nfs/dbraw/zinc/50/67/32/506506732.db2.gz YYUJAQJEBXBGQS-LBPRGKRZSA-N 1 0 367.833 2.574 10 5 FFBERO CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106867452 507825329 /nfs/dbraw/zinc/82/53/29/507825329.db2.gz HTDZOCCJFLSTMY-FUHWJXTLSA-N 1 0 352.431 2.616 10 5 FFBERO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000092978352 508111645 /nfs/dbraw/zinc/11/16/45/508111645.db2.gz XDOCMTDPGZRYLW-UHFFFAOYSA-N 1 0 360.374 2.929 10 5 FFBERO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000106101528 508392962 /nfs/dbraw/zinc/39/29/62/508392962.db2.gz RMIGUYJQHPRLAW-WBVHZDCISA-N 1 0 365.474 2.659 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000116244167 508490866 /nfs/dbraw/zinc/49/08/66/508490866.db2.gz DVUOHMSTOBEKOK-YJBOKZPZSA-N 1 0 368.437 2.559 10 5 FFBERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123515702 508698978 /nfs/dbraw/zinc/69/89/78/508698978.db2.gz SKKHNSNQXXRIRW-QGZVFWFLSA-N 1 0 359.426 2.743 10 5 FFBERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000182344998 509187148 /nfs/dbraw/zinc/18/71/48/509187148.db2.gz NMPMFBJJSPUKLK-ZBFHGGJFSA-N 1 0 371.441 2.791 10 5 FFBERO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000189011646 509367344 /nfs/dbraw/zinc/36/73/44/509367344.db2.gz NPLKBNHJUGEWPL-FZMZJTMJSA-N 1 0 367.377 2.810 10 5 FFBERO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189344325 509529969 /nfs/dbraw/zinc/52/99/69/509529969.db2.gz OQIJLXZQXGLOFE-JKSUJKDBSA-N 1 0 354.765 2.571 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177696711 510204732 /nfs/dbraw/zinc/20/47/32/510204732.db2.gz DOTKZSOIKSIEQV-GXTWGEPZSA-N 1 0 368.865 2.991 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177707642 510208737 /nfs/dbraw/zinc/20/87/37/510208737.db2.gz YMBHLINLQUNECP-CYBMUJFWSA-N 1 0 354.838 2.603 10 5 FFBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)C1CC1 ZINC000178048781 510401499 /nfs/dbraw/zinc/40/14/99/510401499.db2.gz BEVSFFWQPDLPDP-QGZVFWFLSA-N 1 0 364.409 2.681 10 5 FFBERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246342720 510437323 /nfs/dbraw/zinc/43/73/23/510437323.db2.gz UZMIVVVMHDASLZ-MAUKXSAKSA-N 1 0 356.426 2.766 10 5 FFBERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188222185 510656021 /nfs/dbraw/zinc/65/60/21/510656021.db2.gz MVIBVMGWEYOWEH-LLVKDONJSA-N 1 0 363.867 2.503 10 5 FFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000182225611 510823236 /nfs/dbraw/zinc/82/32/36/510823236.db2.gz ICAIXAUDQFONEB-UONOGXRCSA-N 1 0 363.439 2.671 10 5 FFBERO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247325595 510857063 /nfs/dbraw/zinc/85/70/63/510857063.db2.gz XRJMBPDFAKXKAH-KDOFPFPSSA-N 1 0 368.437 2.939 10 5 FFBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000382455489 512877757 /nfs/dbraw/zinc/87/77/57/512877757.db2.gz IVJBETIDBRHDHF-WPRPVWTQSA-N 1 0 361.183 2.739 10 5 FFBERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183071 513016994 /nfs/dbraw/zinc/01/69/94/513016994.db2.gz NUCRAUOYUZUFRK-WBVHZDCISA-N 1 0 372.469 2.894 10 5 FFBERO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000583622186 519344706 /nfs/dbraw/zinc/34/47/06/519344706.db2.gz WDPLNNIOQCEPJI-CQSZACIVSA-N 1 0 371.441 2.920 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132589691 728724853 /nfs/dbraw/zinc/72/48/53/728724853.db2.gz COMQIHYWIQYLJX-JTQLQIEISA-N 1 0 352.391 2.580 10 5 FFBERO CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000175298803 729093253 /nfs/dbraw/zinc/09/32/53/729093253.db2.gz HIDNWTBANHAVTC-YPMHNXCESA-N 1 0 370.837 2.557 10 5 FFBERO [NH3+][C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000720895445 734380696 /nfs/dbraw/zinc/38/06/96/734380696.db2.gz YJNOXHBMQSYNNX-HTQZYQBOSA-N 1 0 354.126 2.683 10 5 FFBERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1[N+](=O)[O-] ZINC000106178016 250249490 /nfs/dbraw/zinc/24/94/90/250249490.db2.gz VIEGBMBWLQFGDR-INIZCTEOSA-N 1 0 359.430 2.724 10 5 FFBERO O=C1[C@H](N2CCC(C[NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132320 507941878 /nfs/dbraw/zinc/94/18/78/507941878.db2.gz WCZNRJXQYOAHPB-LJQANCHMSA-N 1 0 372.469 2.508 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000116243609 508490228 /nfs/dbraw/zinc/49/02/28/508490228.db2.gz QFQSEWKERRVCEL-PBHICJAKSA-N 1 0 354.410 2.630 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1CC ZINC000116767770 508558185 /nfs/dbraw/zinc/55/81/85/508558185.db2.gz AKSKCXCKXSLOCO-AWEZNQCLSA-N 1 0 374.441 2.649 10 5 FFBERO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128414095 508589615 /nfs/dbraw/zinc/58/96/15/508589615.db2.gz YHWSUQMXOOYVQE-GOEBONIOSA-N 1 0 373.413 2.512 10 5 FFBERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000154966117 508893984 /nfs/dbraw/zinc/89/39/84/508893984.db2.gz MWLAZQSSLGQONZ-AWEZNQCLSA-N 1 0 372.469 2.940 10 5 FFBERO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125112613 508932352 /nfs/dbraw/zinc/93/23/52/508932352.db2.gz VKKWQMMNQZZWAQ-AWEZNQCLSA-N 1 0 355.460 2.675 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000120905374 509086537 /nfs/dbraw/zinc/08/65/37/509086537.db2.gz HXNLAVDGFLOJMT-ZDUSSCGKSA-N 1 0 373.400 2.739 10 5 FFBERO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132927909 509092615 /nfs/dbraw/zinc/09/26/15/509092615.db2.gz QWDTUXPAGFJCBB-RBUKOAKNSA-N 1 0 363.458 2.921 10 5 FFBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)o2)c1 ZINC000121032512 509113999 /nfs/dbraw/zinc/11/39/99/509113999.db2.gz TZEQQNDBXSCVLS-KRWDZBQOSA-N 1 0 357.410 2.761 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182663955 509356901 /nfs/dbraw/zinc/35/69/01/509356901.db2.gz GCMUUCPASOUYKJ-GHMZBOCLSA-N 1 0 368.231 2.666 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CC ZINC000177055186 509843532 /nfs/dbraw/zinc/84/35/32/509843532.db2.gz WKCBPVDUWYIGKM-CQSZACIVSA-N 1 0 362.430 2.669 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177283642 509978551 /nfs/dbraw/zinc/97/85/51/509978551.db2.gz MPISDGFZTPNBMJ-JTQLQIEISA-N 1 0 358.236 2.817 10 5 FFBERO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246337185 510433071 /nfs/dbraw/zinc/43/30/71/510433071.db2.gz UBUDSOHOMVXJDQ-IFXJQAMLSA-N 1 0 367.409 2.902 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246480958 510511609 /nfs/dbraw/zinc/51/16/09/510511609.db2.gz HLOXSIZZMBOMHU-SUMWQHHRSA-N 1 0 372.400 2.769 10 5 FFBERO Cn1cc(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068145 510525604 /nfs/dbraw/zinc/52/56/04/510525604.db2.gz YQROFCYSOMLZCR-AZUAARDMSA-N 1 0 364.405 2.743 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742159 510646858 /nfs/dbraw/zinc/64/68/58/510646858.db2.gz BALLVAGIJWENRH-DVOMOZLQSA-N 1 0 351.472 2.920 10 5 FFBERO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346460 510683184 /nfs/dbraw/zinc/68/31/84/510683184.db2.gz WQTXEFCSSQHMQD-GFCCVEGCSA-N 1 0 366.849 2.745 10 5 FFBERO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027698 512986409 /nfs/dbraw/zinc/98/64/09/512986409.db2.gz AVQHMPZZVCZDQJ-HUUCEWRRSA-N 1 0 370.247 2.575 10 5 FFBERO CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246936348 729592158 /nfs/dbraw/zinc/59/21/58/729592158.db2.gz HIDNWTBANHAVTC-AAEUAGOBSA-N 1 0 370.837 2.557 10 5 FFBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000247495242 729598266 /nfs/dbraw/zinc/59/82/66/729598266.db2.gz XEHPVJJHHBBIBB-GXFFZTMASA-N 1 0 370.247 2.816 10 5 FFBERO CC1CC[NH+](C[C@@H](O)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301696416 258063553 /nfs/dbraw/zinc/06/35/53/258063553.db2.gz YYDSBLAUZVDOCP-ZDUSSCGKSA-N 1 0 372.263 2.862 10 5 FFBERO COC(=O)c1cc(Nc2cnn(CC[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000301959606 258077662 /nfs/dbraw/zinc/07/76/62/258077662.db2.gz PCOKDRLKWZWLJD-UHFFFAOYSA-N 1 0 373.413 2.807 10 5 FFBERO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079494554 507967969 /nfs/dbraw/zinc/96/79/69/507967969.db2.gz CECKIQVQHKKYNT-AWEZNQCLSA-N 1 0 362.430 2.620 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140372417 508803268 /nfs/dbraw/zinc/80/32/68/508803268.db2.gz DVQDCTYODPXJGB-DNVCBOLYSA-N 1 0 361.442 2.859 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1CC ZINC000119737221 508853230 /nfs/dbraw/zinc/85/32/30/508853230.db2.gz HVEDOLNUSXSOIM-OAHLLOKOSA-N 1 0 364.446 2.868 10 5 FFBERO CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901617 509486001 /nfs/dbraw/zinc/48/60/01/509486001.db2.gz RTKQCVSTENBBFJ-QGZVFWFLSA-N 1 0 366.893 2.850 10 5 FFBERO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315850 509526290 /nfs/dbraw/zinc/52/62/90/509526290.db2.gz ONUBAVLLWQOWCN-YWZLYKJASA-N 1 0 355.438 2.665 10 5 FFBERO COc1ccc(OCC[NH+]2CCC(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000173605650 509670456 /nfs/dbraw/zinc/67/04/56/509670456.db2.gz WWXVZPSFKFXPNB-UHFFFAOYSA-N 1 0 360.414 2.595 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173788603 509779592 /nfs/dbraw/zinc/77/95/92/509779592.db2.gz IFKFKLVHOQKDBI-KXBFYZLASA-N 1 0 368.437 2.559 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177015265 509819989 /nfs/dbraw/zinc/81/99/89/509819989.db2.gz QGXSQPQOVBKOTK-CQSZACIVSA-N 1 0 369.849 2.960 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000190629916 510250817 /nfs/dbraw/zinc/25/08/17/510250817.db2.gz WYOOXVIIEKIJCN-HNNXBMFYSA-N 1 0 372.400 2.723 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000181308562 510349045 /nfs/dbraw/zinc/34/90/45/510349045.db2.gz IMYUBZWJGVBEOU-INIZCTEOSA-N 1 0 370.453 2.957 10 5 FFBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712595 510491190 /nfs/dbraw/zinc/49/11/90/510491190.db2.gz LVGUAEUGICGCOU-HZPDHXFCSA-N 1 0 365.386 2.567 10 5 FFBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178677270 510716687 /nfs/dbraw/zinc/71/66/87/510716687.db2.gz GGEGGAZGOHBTGO-SWLSCSKDSA-N 1 0 350.419 2.506 10 5 FFBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000182063607 510735862 /nfs/dbraw/zinc/73/58/62/510735862.db2.gz SCMKMMVPWNFORQ-AWEZNQCLSA-N 1 0 357.410 2.854 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178749262 510751394 /nfs/dbraw/zinc/75/13/94/510751394.db2.gz IQIWISLLTDAIJO-KRWDZBQOSA-N 1 0 371.441 2.901 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031825717 535640256 /nfs/dbraw/zinc/64/02/56/535640256.db2.gz QDUXRZOQNSWNJT-HNNXBMFYSA-N 1 0 362.474 2.658 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155684078 728834260 /nfs/dbraw/zinc/83/42/60/728834260.db2.gz XEHPVJJHHBBIBB-MFKMUULPSA-N 1 0 370.247 2.816 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110202084 728530947 /nfs/dbraw/zinc/53/09/47/728530947.db2.gz XWSVZTAZDTXVQC-JTQLQIEISA-N 1 0 365.402 2.733 10 5 FFBERO CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246936379 729592165 /nfs/dbraw/zinc/59/21/65/729592165.db2.gz HIDNWTBANHAVTC-WCQYABFASA-N 1 0 370.837 2.557 10 5 FFBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572213 251209809 /nfs/dbraw/zinc/20/98/09/251209809.db2.gz RLVMOXLIWHTZRB-SJORKVTESA-N 1 0 358.398 2.931 10 5 FFBERO O=[N+]([O-])c1ccc(CO)cc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000302025933 258083046 /nfs/dbraw/zinc/08/30/46/258083046.db2.gz HXDYOFWDBVOPIA-UHFFFAOYSA-N 1 0 363.458 2.782 10 5 FFBERO C[C@@H]1C[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301970311 258078653 /nfs/dbraw/zinc/07/86/53/258078653.db2.gz RFPGFZAVIGCOSW-GDBMZVCRSA-N 1 0 366.425 2.960 10 5 FFBERO CC(=O)c1ccc(N(C)C2CC[NH+](CCn3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000109129544 507941887 /nfs/dbraw/zinc/94/18/87/507941887.db2.gz WHYYAKUAUQCHFZ-UHFFFAOYSA-N 1 0 371.441 2.595 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152455250 508450255 /nfs/dbraw/zinc/45/02/55/508450255.db2.gz WXFLVSLRHNPOCF-KRWDZBQOSA-N 1 0 370.409 2.780 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000116248481 508491947 /nfs/dbraw/zinc/49/19/47/508491947.db2.gz HXAISSZQIYKVKR-GUYCJALGSA-N 1 0 372.400 2.769 10 5 FFBERO CC1(C)CO[C@@H](c2ccccc2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159799802 508892741 /nfs/dbraw/zinc/89/27/41/508892741.db2.gz KLOXDSBOSBGGHJ-QGZVFWFLSA-N 1 0 357.410 2.609 10 5 FFBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000120629946 509035001 /nfs/dbraw/zinc/03/50/01/509035001.db2.gz PLGMZCXASNTWDK-LSDHHAIUSA-N 1 0 359.426 2.742 10 5 FFBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000121032671 509114610 /nfs/dbraw/zinc/11/46/10/509114610.db2.gz TZEQQNDBXSCVLS-QGZVFWFLSA-N 1 0 357.410 2.761 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464849 509500282 /nfs/dbraw/zinc/50/02/82/509500282.db2.gz LLXHEHSDRLSFPF-ZYHUDNBSSA-N 1 0 368.231 2.666 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000245422263 509920993 /nfs/dbraw/zinc/92/09/93/509920993.db2.gz IQICTMHCFIPVRF-ZBFHGGJFSA-N 1 0 357.414 2.703 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1SC ZINC000171294409 510061380 /nfs/dbraw/zinc/06/13/80/510061380.db2.gz BYACENAUIAAMGP-UHFFFAOYSA-N 1 0 365.455 2.636 10 5 FFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](n2cncn2)C1 ZINC000245835889 510161326 /nfs/dbraw/zinc/16/13/26/510161326.db2.gz WBRVOABTNVDPPE-IUODEOHRSA-N 1 0 369.385 2.634 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190627398 510249327 /nfs/dbraw/zinc/24/93/27/510249327.db2.gz MKLLCRFPJCPEJT-INIZCTEOSA-N 1 0 354.410 2.584 10 5 FFBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c2c(c1)COCO2 ZINC000171646844 510274553 /nfs/dbraw/zinc/27/45/53/510274553.db2.gz HXTUGTYPLQLXPD-AWEZNQCLSA-N 1 0 370.409 2.790 10 5 FFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000175117520 510489035 /nfs/dbraw/zinc/48/90/35/510489035.db2.gz XMQIINIBUFBOPB-HNNXBMFYSA-N 1 0 363.458 2.679 10 5 FFBERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272396 510750895 /nfs/dbraw/zinc/75/08/95/510750895.db2.gz BWHGIGYDXBUJKG-GOSISDBHSA-N 1 0 370.453 2.823 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000247076296 510827446 /nfs/dbraw/zinc/82/74/46/510827446.db2.gz YVKYTVLNQBVNBY-WMZOPIPTSA-N 1 0 360.458 2.872 10 5 FFBERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000106225723 250258451 /nfs/dbraw/zinc/25/84/51/250258451.db2.gz RRAMOKRQTXKYGF-OAHLLOKOSA-N 1 0 357.414 2.765 10 5 FFBERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128941823 250795586 /nfs/dbraw/zinc/79/55/86/250795586.db2.gz GBYUQADAAPWEQK-FZKQIMNGSA-N 1 0 365.405 2.690 10 5 FFBERO C[C@H]1C[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301970312 258078915 /nfs/dbraw/zinc/07/89/15/258078915.db2.gz RFPGFZAVIGCOSW-GOEBONIOSA-N 1 0 366.425 2.960 10 5 FFBERO CCOCC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000302017266 258082505 /nfs/dbraw/zinc/08/25/05/258082505.db2.gz MBTWFQKMCAETQB-HNNXBMFYSA-N 1 0 358.442 2.998 10 5 FFBERO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCCO1 ZINC000106866508 507824930 /nfs/dbraw/zinc/82/49/30/507824930.db2.gz YTBXHTBXNWOUAJ-QGZVFWFLSA-N 1 0 361.442 2.765 10 5 FFBERO C[N@@H+]1Cc2ccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2C1 ZINC000109147060 507943018 /nfs/dbraw/zinc/94/30/18/507943018.db2.gz AUKBUNNDQRORQB-GOSISDBHSA-N 1 0 352.394 2.758 10 5 FFBERO C[N@@H+]1Cc2ccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2C1 ZINC000109147062 507943089 /nfs/dbraw/zinc/94/30/89/507943089.db2.gz AUKBUNNDQRORQB-SFHVURJKSA-N 1 0 352.394 2.758 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553519 508808285 /nfs/dbraw/zinc/80/82/85/508808285.db2.gz QYNATXINNUKYHK-GOEBONIOSA-N 1 0 371.441 2.900 10 5 FFBERO O=C1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000120155075 508939563 /nfs/dbraw/zinc/93/95/63/508939563.db2.gz WHYJJVFLQQQGLA-BEFAXECRSA-N 1 0 373.453 2.839 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000160162226 508947601 /nfs/dbraw/zinc/94/76/01/508947601.db2.gz SYWLYZTYSKWYQI-OAHLLOKOSA-N 1 0 367.471 2.542 10 5 FFBERO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179420367 509434544 /nfs/dbraw/zinc/43/45/44/509434544.db2.gz AVBFKOQGRZFVKW-LLVKDONJSA-N 1 0 369.219 2.669 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000180487407 509952057 /nfs/dbraw/zinc/95/20/57/509952057.db2.gz LRKIEYBQTOLETB-HNNXBMFYSA-N 1 0 356.426 2.915 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000190665045 510271578 /nfs/dbraw/zinc/27/15/78/510271578.db2.gz VWHPSLXGRDDNLA-HNNXBMFYSA-N 1 0 372.400 2.723 10 5 FFBERO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000194372697 510332441 /nfs/dbraw/zinc/33/24/41/510332441.db2.gz HJKLZRXARCSBSA-ZDUSSCGKSA-N 1 0 359.338 2.605 10 5 FFBERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222405 510495401 /nfs/dbraw/zinc/49/54/01/510495401.db2.gz TYEQHUFZHDWWNZ-XJKSGUPXSA-N 1 0 356.430 2.746 10 5 FFBERO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188969 510737739 /nfs/dbraw/zinc/73/77/39/510737739.db2.gz WMFFDRYFUDGBJM-HOTGVXAUSA-N 1 0 351.378 2.706 10 5 FFBERO CN(CC[N+]1(C)CCCC1)C(=O)[C@@](O)(c1cccs1)c1ccccc1 ZINC000000607834 210252133 /nfs/dbraw/zinc/25/21/33/210252133.db2.gz JTZHVSMDSHENLZ-FQEVSTJZSA-N 1 0 359.515 2.683 10 5 in-man FFBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[NH2+]CC1 ZINC000036813371 249371533 /nfs/dbraw/zinc/37/15/33/249371533.db2.gz HMKIDEQVTLTEQV-UHFFFAOYSA-N 1 0 351.204 2.705 10 5 FFBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572187 251209799 /nfs/dbraw/zinc/20/97/99/251209799.db2.gz RLVMOXLIWHTZRB-IRXDYDNUSA-N 1 0 358.398 2.931 10 5 FFBERO C[C@H]1CCC[C@](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)([NH+](C)C)C1 ZINC000301083404 258024084 /nfs/dbraw/zinc/02/40/84/258024084.db2.gz KXYCAUVTORVDMF-SGTLLEGYSA-N 1 0 362.430 2.848 10 5 FFBERO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079494552 507968255 /nfs/dbraw/zinc/96/82/55/507968255.db2.gz CECKIQVQHKKYNT-CQSZACIVSA-N 1 0 362.430 2.620 10 5 FFBERO CCCn1cc(C[N@@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000106158541 508396289 /nfs/dbraw/zinc/39/62/89/508396289.db2.gz KWBBSRDYADBSJD-UHFFFAOYSA-N 1 0 357.458 2.909 10 5 FFBERO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000116250323 508491645 /nfs/dbraw/zinc/49/16/45/508491645.db2.gz XRJMBPDFAKXKAH-KBXCAEBGSA-N 1 0 368.437 2.939 10 5 FFBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000137002479 508731698 /nfs/dbraw/zinc/73/16/98/508731698.db2.gz RQSNYCNFOCEYIL-GFCCVEGCSA-N 1 0 367.833 2.574 10 5 FFBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000186237754 509593802 /nfs/dbraw/zinc/59/38/02/509593802.db2.gz BVNJAHFWIOFXQV-QJPKHSJYSA-N 1 0 373.453 2.710 10 5 FFBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000192871506 509678814 /nfs/dbraw/zinc/67/88/14/509678814.db2.gz YQGHTUUZLZHKND-MRXNPFEDSA-N 1 0 369.421 2.950 10 5 FFBERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000245690666 510088091 /nfs/dbraw/zinc/08/80/91/510088091.db2.gz BHFQKKAFUHLNOQ-GJZGRUSLSA-N 1 0 359.426 2.742 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000190448751 510138374 /nfs/dbraw/zinc/13/83/74/510138374.db2.gz SGFLZMBCFVKHHC-AWEZNQCLSA-N 1 0 372.454 2.657 10 5 FFBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](n2cncn2)C1 ZINC000245835896 510160142 /nfs/dbraw/zinc/16/01/42/510160142.db2.gz WBRVOABTNVDPPE-SWLSCSKDSA-N 1 0 369.385 2.634 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190559625 510207216 /nfs/dbraw/zinc/20/72/16/510207216.db2.gz SLZXVZUAGRVJAI-AWEZNQCLSA-N 1 0 374.466 2.954 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175045079 510456940 /nfs/dbraw/zinc/45/69/40/510456940.db2.gz HTSHFVFUFKLFQG-UONOGXRCSA-N 1 0 366.849 2.745 10 5 FFBERO Cc1ccc(OC2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000181552172 510469324 /nfs/dbraw/zinc/46/93/24/510469324.db2.gz YIVMMIHEQZWKGR-GOSISDBHSA-N 1 0 357.410 2.875 10 5 FFBERO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000194713810 510490842 /nfs/dbraw/zinc/49/08/42/510490842.db2.gz BAFQKDMZRGJNJG-UHFFFAOYSA-N 1 0 372.381 2.818 10 5 FFBERO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000175186527 510523518 /nfs/dbraw/zinc/52/35/18/510523518.db2.gz SBWWPIQMBZTGQU-QGZVFWFLSA-N 1 0 371.441 2.884 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247144459 510845244 /nfs/dbraw/zinc/84/52/44/510845244.db2.gz HXAISSZQIYKVKR-CXAGYDPISA-N 1 0 372.400 2.769 10 5 FFBERO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248324376 729602455 /nfs/dbraw/zinc/60/24/55/729602455.db2.gz APMJXXZBZNWIBB-OCCSQVGLSA-N 1 0 366.849 2.745 10 5 FFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000588443967 964989319 /nfs/dbraw/zinc/98/93/19/964989319.db2.gz RIWKTDPUPGEXFM-REJXWNQVSA-N 1 0 361.442 2.614 10 5 FFBERO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[N@H+]3CCC[C@H]3CO)ccc2c1 ZINC000301698794 258063592 /nfs/dbraw/zinc/06/35/92/258063592.db2.gz CLWRFSFWFRAZGL-IRXDYDNUSA-N 1 0 356.426 2.569 10 5 FFBERO O=c1[nH]cnc2cc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000091482392 507989400 /nfs/dbraw/zinc/98/94/00/507989400.db2.gz RWGYNVKNMFOBPE-CQSZACIVSA-N 1 0 371.441 2.676 10 5 FFBERO CN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128971154 508665503 /nfs/dbraw/zinc/66/55/03/508665503.db2.gz VOJGXXYLBFAEKZ-IRXDYDNUSA-N 1 0 357.414 2.528 10 5 FFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000140525840 508806115 /nfs/dbraw/zinc/80/61/15/508806115.db2.gz KSCYIQDUJVDUIX-DNVCBOLYSA-N 1 0 361.442 2.859 10 5 FFBERO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000248617448 509395720 /nfs/dbraw/zinc/39/57/20/509395720.db2.gz MEWPUZMMJSBFHY-JCGIZDLHSA-N 1 0 372.469 2.640 10 5 FFBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464847 509498808 /nfs/dbraw/zinc/49/88/08/509498808.db2.gz LLXHEHSDRLSFPF-JQWIXIFHSA-N 1 0 368.231 2.666 10 5 FFBERO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000255883832 509937067 /nfs/dbraw/zinc/93/70/67/509937067.db2.gz IYAYUQMBPBGUSP-DAXSKMNVSA-N 1 0 369.469 2.901 10 5 FFBERO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180667280 510044986 /nfs/dbraw/zinc/04/49/86/510044986.db2.gz BFSSWHYOJXYEMO-CYBMUJFWSA-N 1 0 365.393 2.730 10 5 FFBERO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000268870613 510110801 /nfs/dbraw/zinc/11/08/01/510110801.db2.gz UERVSHGBOMNJBX-GXFFZTMASA-N 1 0 355.236 2.673 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177705160 510207958 /nfs/dbraw/zinc/20/79/58/510207958.db2.gz BTLFLUBCJRCMMT-ZDUSSCGKSA-N 1 0 354.838 2.603 10 5 FFBERO CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C[C@H](C)O ZINC000245924751 510208889 /nfs/dbraw/zinc/20/88/89/510208889.db2.gz TXQAHJAGLGIUHZ-WMLDXEAASA-N 1 0 374.441 2.527 10 5 FFBERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408510 510396051 /nfs/dbraw/zinc/39/60/51/510396051.db2.gz XRTRIZUHFBDUQO-YOEHRIQHSA-N 1 0 362.430 2.538 10 5 FFBERO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000246409829 510473771 /nfs/dbraw/zinc/47/37/71/510473771.db2.gz QPWWKOWRRFKPAL-YOEHRIQHSA-N 1 0 370.453 2.933 10 5 FFBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000194763376 510516934 /nfs/dbraw/zinc/51/69/34/510516934.db2.gz OTOQEDRQQSDCLA-ZFWWWQNUSA-N 1 0 363.395 2.772 10 5 FFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346260 510683671 /nfs/dbraw/zinc/68/36/71/510683671.db2.gz XSGNQUKPNQIRFP-CYBMUJFWSA-N 1 0 357.414 2.876 10 5 FFBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195309340 510775667 /nfs/dbraw/zinc/77/56/67/510775667.db2.gz QTEVWFAEKKIWJM-INIZCTEOSA-N 1 0 358.442 2.505 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000177707213 729144344 /nfs/dbraw/zinc/14/43/44/729144344.db2.gz YTDXMAVRNCLXIM-JSGCOSHPSA-N 1 0 368.865 2.991 10 5 FFBERO O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246818517 729590965 /nfs/dbraw/zinc/59/09/65/729590965.db2.gz JTOHCOQZPBMCNI-YVEFUNNKSA-N 1 0 367.833 2.814 10 5 FFBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103188903 250137944 /nfs/dbraw/zinc/13/79/44/250137944.db2.gz MFUXNGMXAJBLJB-LLVKDONJSA-N 1 0 355.460 2.785 10 5 FFBERO CN(c1cccnn1)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106083167 250231856 /nfs/dbraw/zinc/23/18/56/250231856.db2.gz ORBKRAMPCWGISR-UHFFFAOYSA-N 1 0 371.441 2.755 10 5 FFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106171558 250248410 /nfs/dbraw/zinc/24/84/10/250248410.db2.gz PKMWIRPECKBRDG-OAHLLOKOSA-N 1 0 359.430 2.886 10 5 FFBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171553 250248701 /nfs/dbraw/zinc/24/87/01/250248701.db2.gz PKMWIRPECKBRDG-HNNXBMFYSA-N 1 0 359.430 2.886 10 5 FFBERO CCOCC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000302017271 258082366 /nfs/dbraw/zinc/08/23/66/258082366.db2.gz MBTWFQKMCAETQB-OAHLLOKOSA-N 1 0 358.442 2.998 10 5 FFBERO [NH3+]C[C@@H]1CCC[C@@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC000097351184 222176125 /nfs/dbraw/zinc/17/61/25/222176125.db2.gz UBCVIEKZGBQFNB-KWQFWETISA-N 1 0 362.167 2.706 10 5 FFBERO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2)CC1 ZINC000027251843 507642589 /nfs/dbraw/zinc/64/25/89/507642589.db2.gz OHZYBCHTYVOCEH-ZHACJKMWSA-N 1 0 365.433 2.995 10 5 FFBERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000107296488 507842895 /nfs/dbraw/zinc/84/28/95/507842895.db2.gz LFESOQDQQJFSGX-INIZCTEOSA-N 1 0 369.469 2.749 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000116928157 508571156 /nfs/dbraw/zinc/57/11/56/508571156.db2.gz PVFBACGMEZCDTL-HNNXBMFYSA-N 1 0 350.419 2.559 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000131111504 508888931 /nfs/dbraw/zinc/88/89/31/508888931.db2.gz CKRXAUNMQIWBIR-ZWNOBZJWSA-N 1 0 357.332 2.922 10 5 FFBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000120614637 509031779 /nfs/dbraw/zinc/03/17/79/509031779.db2.gz JLMMSKSLMLDXEZ-HUUCEWRRSA-N 1 0 359.426 2.742 10 5 FFBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(I)cc1[N+](=O)[O-] ZINC000229604739 509427321 /nfs/dbraw/zinc/42/73/21/509427321.db2.gz WFKZUQAOHBPERV-WPRPVWTQSA-N 1 0 361.183 2.752 10 5 FFBERO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000170863048 509820822 /nfs/dbraw/zinc/82/08/22/509820822.db2.gz FBEBYAHGAFAMFE-MRXNPFEDSA-N 1 0 360.458 2.607 10 5 FFBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245697321 510091822 /nfs/dbraw/zinc/09/18/22/510091822.db2.gz SJOKRMKIXGNPJR-KBXCAEBGSA-N 1 0 374.441 2.673 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175038515 510453192 /nfs/dbraw/zinc/45/31/92/510453192.db2.gz UVDUDMHEEQISOR-GOEBONIOSA-N 1 0 357.414 2.703 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000174533399 729073824 /nfs/dbraw/zinc/07/38/24/729073824.db2.gz NZCFTKYNICJZQW-LBPRGKRZSA-N 1 0 370.247 2.914 10 5 FFBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000066635213 249654512 /nfs/dbraw/zinc/65/45/12/249654512.db2.gz DZXFTHDSLQHREA-UHFFFAOYSA-N 1 0 362.386 2.512 10 5 FFBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000106150173 250243491 /nfs/dbraw/zinc/24/34/91/250243491.db2.gz OGRGOSRNXINXHH-UHFFFAOYSA-N 1 0 371.441 2.606 10 5 FFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177442 250247982 /nfs/dbraw/zinc/24/79/82/250247982.db2.gz AEQCKGVWJNSSTL-INIZCTEOSA-N 1 0 359.430 2.594 10 5 FFBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177081 250248318 /nfs/dbraw/zinc/24/83/18/250248318.db2.gz MHOATNPTYVTRQO-KRWDZBQOSA-N 1 0 373.457 2.984 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000107708453 250311622 /nfs/dbraw/zinc/31/16/22/250311622.db2.gz SLVADECZBRKQTO-OAHLLOKOSA-N 1 0 367.471 2.542 10 5 FFBERO CS(=O)(=O)c1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301805045 258068586 /nfs/dbraw/zinc/06/85/86/258068586.db2.gz VGZLIPZDHSVUAR-OAHLLOKOSA-N 1 0 367.471 2.675 10 5 FFBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000109790099 507987035 /nfs/dbraw/zinc/98/70/35/507987035.db2.gz QLDULTDBWMMBFT-INIZCTEOSA-N 1 0 374.485 2.532 10 5 FFBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000110677976 508041049 /nfs/dbraw/zinc/04/10/49/508041049.db2.gz INMKVSJESWVGLM-UHFFFAOYSA-N 1 0 372.469 2.895 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152455369 508449696 /nfs/dbraw/zinc/44/96/96/508449696.db2.gz WXFLVSLRHNPOCF-QGZVFWFLSA-N 1 0 370.409 2.780 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000116248679 508491575 /nfs/dbraw/zinc/49/15/75/508491575.db2.gz YUDHXABTQFKGCL-ACJLOTCBSA-N 1 0 372.400 2.769 10 5 FFBERO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128413624 508589742 /nfs/dbraw/zinc/58/97/42/508589742.db2.gz YHWSUQMXOOYVQE-HOCLYGCPSA-N 1 0 373.413 2.512 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000123367651 508675955 /nfs/dbraw/zinc/67/59/55/508675955.db2.gz IITQSYFXSMPVTE-GOSISDBHSA-N 1 0 357.458 2.911 10 5 FFBERO COc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])cc1F ZINC000132925511 509093047 /nfs/dbraw/zinc/09/30/47/509093047.db2.gz LURQPEHAINAEEC-WBVHZDCISA-N 1 0 367.421 2.922 10 5 FFBERO Cc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000121203823 509149643 /nfs/dbraw/zinc/14/96/43/509149643.db2.gz DTASHHJTKXGDBV-UHFFFAOYSA-N 1 0 357.458 2.696 10 5 FFBERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000182336572 509181595 /nfs/dbraw/zinc/18/15/95/509181595.db2.gz KYUWSCCBDBPIIW-HOCLYGCPSA-N 1 0 371.441 2.791 10 5 FFBERO C[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043126 509723295 /nfs/dbraw/zinc/72/32/95/509723295.db2.gz CCHLVXOBTJPPFA-UZLBHIALSA-N 1 0 355.438 2.995 10 5 FFBERO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000255715013 509933165 /nfs/dbraw/zinc/93/31/65/509933165.db2.gz CHAHDMUBMVQNKH-CTEOGUNLSA-N 1 0 353.426 2.999 10 5 FFBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618492 510016503 /nfs/dbraw/zinc/01/65/03/510016503.db2.gz HXGBBIWBTYAHRA-TZMCWYRMSA-N 1 0 359.430 2.813 10 5 FFBERO O=C1Nc2ccccc2[C@H]1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194181983 510251997 /nfs/dbraw/zinc/25/19/97/510251997.db2.gz UCJAWPXIXPCUAV-CQSZACIVSA-N 1 0 356.338 2.719 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000194347031 510322959 /nfs/dbraw/zinc/32/29/59/510322959.db2.gz YYCLLWWQBIKNHH-SNVBAGLBSA-N 1 0 358.345 2.802 10 5 FFBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172244021 510621066 /nfs/dbraw/zinc/62/10/66/510621066.db2.gz PNCGUWDUXZWVGP-VOTSOKGWSA-N 1 0 366.421 2.784 10 5 FFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246848380 510707696 /nfs/dbraw/zinc/70/76/96/510707696.db2.gz KSCYIQDUJVDUIX-HNAYVOBHSA-N 1 0 361.442 2.859 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000182071803 510740910 /nfs/dbraw/zinc/74/09/10/510740910.db2.gz HFKIGJYYMDJUPF-HNNXBMFYSA-N 1 0 357.410 2.610 10 5 FFBERO COCC[NH2+]CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000262356828 729664410 /nfs/dbraw/zinc/66/44/10/729664410.db2.gz VXXCNCMYSREULG-UHFFFAOYSA-N 1 0 369.219 2.553 10 5 FFBERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128942003 250794035 /nfs/dbraw/zinc/79/40/35/250794035.db2.gz GBYUQADAAPWEQK-ACJLOTCBSA-N 1 0 365.405 2.690 10 5 FFBERO CC1([NH3+])CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000591434430 519623781 /nfs/dbraw/zinc/62/37/81/519623781.db2.gz GRUBVGSZZBBNQZ-UHFFFAOYSA-N 1 0 361.183 2.517 10 5 FFBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075131 508391917 /nfs/dbraw/zinc/39/19/17/508391917.db2.gz GPPVJXGWOCQXJI-QGZVFWFLSA-N 1 0 371.441 2.755 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000116243612 508490495 /nfs/dbraw/zinc/49/04/95/508490495.db2.gz QFQSEWKERRVCEL-YOEHRIQHSA-N 1 0 354.410 2.630 10 5 FFBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122405643 508529468 /nfs/dbraw/zinc/52/94/68/508529468.db2.gz PTTYPELRYOYHCU-JTQLQIEISA-N 1 0 358.236 2.817 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000116928016 508571129 /nfs/dbraw/zinc/57/11/29/508571129.db2.gz OGIRAQMBQFINGT-OAHLLOKOSA-N 1 0 350.419 2.559 10 5 FFBERO C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000123986460 508767056 /nfs/dbraw/zinc/76/70/56/508767056.db2.gz FRAJAAIKZXARJH-GUYCJALGSA-N 1 0 369.487 2.921 10 5 FFBERO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124200874 508796435 /nfs/dbraw/zinc/79/64/35/508796435.db2.gz ZTOHAHMOWRXTPW-UHFFFAOYSA-N 1 0 355.460 2.675 10 5 FFBERO Cc1c(NC(=O)CC[NH+]2CCC(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000160517290 508998117 /nfs/dbraw/zinc/99/81/17/508998117.db2.gz ARGDIQYJRKQEAT-UHFFFAOYSA-N 1 0 371.441 2.845 10 5 FFBERO CC(C)[N@H+]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C1 ZINC000155744881 509063272 /nfs/dbraw/zinc/06/32/72/509063272.db2.gz BNTJILYJKXMJEL-RDJZCZTQSA-N 1 0 374.485 2.656 10 5 FFBERO O=[N+]([O-])c1cnc(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)s1 ZINC000192451349 509524756 /nfs/dbraw/zinc/52/47/56/509524756.db2.gz XFHMWTRWKWSDGS-OAHLLOKOSA-N 1 0 362.455 2.909 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000176982512 509798367 /nfs/dbraw/zinc/79/83/67/509798367.db2.gz OKWIJAKODONZLP-LBPRGKRZSA-N 1 0 367.471 2.882 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177015282 509819365 /nfs/dbraw/zinc/81/93/65/509819365.db2.gz QGXSQPQOVBKOTK-AWEZNQCLSA-N 1 0 369.849 2.960 10 5 FFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180614583 510014490 /nfs/dbraw/zinc/01/44/90/510014490.db2.gz ZSSDAHCUZMHIDZ-JKSUJKDBSA-N 1 0 355.442 2.674 10 5 FFBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000180614545 510014700 /nfs/dbraw/zinc/01/47/00/510014700.db2.gz ZSSDAHCUZMHIDZ-HOTGVXAUSA-N 1 0 355.442 2.674 10 5 FFBERO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194506234 510398495 /nfs/dbraw/zinc/39/84/95/510398495.db2.gz OBWCAOFERWHHNL-AWEZNQCLSA-N 1 0 372.381 2.880 10 5 FFBERO Cc1ccc(OC2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000181552153 510469528 /nfs/dbraw/zinc/46/95/28/510469528.db2.gz YIVMMIHEQZWKGR-SFHVURJKSA-N 1 0 357.410 2.875 10 5 FFBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712614 510490740 /nfs/dbraw/zinc/49/07/40/510490740.db2.gz LVGUAEUGICGCOU-CVEARBPZSA-N 1 0 365.386 2.567 10 5 FFBERO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195042195 510643822 /nfs/dbraw/zinc/64/38/22/510643822.db2.gz OVUAUBJCQAUYDP-KRWDZBQOSA-N 1 0 372.469 2.508 10 5 FFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246848389 510706413 /nfs/dbraw/zinc/70/64/13/510706413.db2.gz KSCYIQDUJVDUIX-KXBFYZLASA-N 1 0 361.442 2.859 10 5 FFBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195309331 510775459 /nfs/dbraw/zinc/77/54/59/510775459.db2.gz QTEVWFAEKKIWJM-MRXNPFEDSA-N 1 0 358.442 2.505 10 5 FFBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247779473 510870334 /nfs/dbraw/zinc/87/03/34/510870334.db2.gz RMIGUYJQHPRLAW-DOTOQJQBSA-N 1 0 365.474 2.659 10 5 FFBERO COCC[N@H+]1[C@H](C)CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000588447258 965054480 /nfs/dbraw/zinc/05/44/80/965054480.db2.gz ALHPACYXRPKZAW-REJXWNQVSA-N 1 0 361.442 2.566 10 5 FFBERO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000071564947 249756859 /nfs/dbraw/zinc/75/68/59/249756859.db2.gz XYTLHQPCUOQMIS-UHFFFAOYSA-N 1 0 356.382 2.715 10 5 FFBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068615 507905963 /nfs/dbraw/zinc/90/59/63/507905963.db2.gz GGEGGAZGOHBTGO-WFASDCNBSA-N 1 0 350.419 2.506 10 5 FFBERO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068616 507906007 /nfs/dbraw/zinc/90/60/07/507906007.db2.gz GGEGGAZGOHBTGO-DOMZBBRYSA-N 1 0 350.419 2.506 10 5 FFBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000116248478 508491993 /nfs/dbraw/zinc/49/19/93/508491993.db2.gz HXAISSZQIYKVKR-DYVFJYSZSA-N 1 0 372.400 2.769 10 5 FFBERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553400 508808022 /nfs/dbraw/zinc/80/80/22/508808022.db2.gz QYNATXINNUKYHK-GDBMZVCRSA-N 1 0 371.441 2.900 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000188817087 509277830 /nfs/dbraw/zinc/27/78/30/509277830.db2.gz FEXNGCNBYWPESF-MRXNPFEDSA-N 1 0 369.425 2.976 10 5 FFBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000182570051 509308657 /nfs/dbraw/zinc/30/86/57/509308657.db2.gz GZTXWKBWOGVTHX-NSHDSACASA-N 1 0 366.215 2.870 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192384527 509496551 /nfs/dbraw/zinc/49/65/51/509496551.db2.gz CQWLYMXFPOJAAF-PWSUYJOCSA-N 1 0 370.247 2.816 10 5 FFBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cncn1)CCC2 ZINC000192672369 509592093 /nfs/dbraw/zinc/59/20/93/509592093.db2.gz DQTKUBVMMVWYNQ-KRWDZBQOSA-N 1 0 350.382 2.738 10 5 FFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000177043157 509835539 /nfs/dbraw/zinc/83/55/39/509835539.db2.gz CTZCUOINRCRPDT-CYBMUJFWSA-N 1 0 364.402 2.676 10 5 FFBERO O=C(CC[N@@H+]1CCCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000183775358 509969658 /nfs/dbraw/zinc/96/96/58/509969658.db2.gz PUHPQJGADTZVJC-UHFFFAOYSA-N 1 0 369.425 2.531 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000245531782 509988406 /nfs/dbraw/zinc/98/84/06/509988406.db2.gz UCHRXVRMDRMXMB-ZWNOBZJWSA-N 1 0 357.357 2.655 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000184202311 510190494 /nfs/dbraw/zinc/19/04/94/510190494.db2.gz LKQYTWLBNJIFTC-HNNXBMFYSA-N 1 0 369.437 2.675 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177696723 510205223 /nfs/dbraw/zinc/20/52/23/510205223.db2.gz DOTKZSOIKSIEQV-JSGCOSHPSA-N 1 0 368.865 2.991 10 5 FFBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000246254560 510392449 /nfs/dbraw/zinc/39/24/49/510392449.db2.gz JVBWWCKRJGBNPS-DOTOQJQBSA-N 1 0 367.409 2.551 10 5 FFBERO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171890739 510432474 /nfs/dbraw/zinc/43/24/74/510432474.db2.gz KNISSQAUEGQOCC-LLVKDONJSA-N 1 0 356.329 2.508 10 5 FFBERO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178516225 510641657 /nfs/dbraw/zinc/64/16/57/510641657.db2.gz ZEWGYSTVOJIVKU-UHFFFAOYSA-N 1 0 357.332 2.924 10 5 FFBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159081782 728900354 /nfs/dbraw/zinc/90/03/54/728900354.db2.gz GQULQIKYZISFFK-JTQLQIEISA-N 1 0 356.220 2.571 10 5 FFBERO CC[NH+](CC)[C@H](C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110202086 728530951 /nfs/dbraw/zinc/53/09/51/728530951.db2.gz XWSVZTAZDTXVQC-SNVBAGLBSA-N 1 0 365.402 2.733 10 5 FFBERO Cc1ccc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000301208412 258033976 /nfs/dbraw/zinc/03/39/76/258033976.db2.gz UVCPXDVKLICUKR-UHFFFAOYSA-N 1 0 356.430 2.600 10 5 FFBERO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000302147732 258091090 /nfs/dbraw/zinc/09/10/90/258091090.db2.gz GYFGUGYNKVRMHT-UHFFFAOYSA-N 1 0 373.413 2.807 10 5 FFBERO Cc1c(F)cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000133665883 508432048 /nfs/dbraw/zinc/43/20/48/508432048.db2.gz RLZSWHXCICQPJM-UHFFFAOYSA-N 1 0 373.450 2.584 10 5 FFBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318347 508498430 /nfs/dbraw/zinc/49/84/30/508498430.db2.gz RPRAHEGLKOBBED-OCCSQVGLSA-N 1 0 368.397 2.929 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127869168 508512672 /nfs/dbraw/zinc/51/26/72/508512672.db2.gz AHBFIEGXGZDING-SJORKVTESA-N 1 0 357.414 2.812 10 5 FFBERO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128413886 508589879 /nfs/dbraw/zinc/58/98/79/508589879.db2.gz YHWSUQMXOOYVQE-GDBMZVCRSA-N 1 0 373.413 2.512 10 5 FFBERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191980217 509275488 /nfs/dbraw/zinc/27/54/88/509275488.db2.gz BSZDROWUVJYUPK-UHFFFAOYSA-N 1 0 363.458 2.833 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000188817069 509277276 /nfs/dbraw/zinc/27/72/76/509277276.db2.gz FEXNGCNBYWPESF-INIZCTEOSA-N 1 0 369.425 2.976 10 5 FFBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186548648 509764192 /nfs/dbraw/zinc/76/41/92/509764192.db2.gz ASGBLWASBLBTIB-SNVBAGLBSA-N 1 0 368.231 2.714 10 5 FFBERO Cn1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245552937 510001900 /nfs/dbraw/zinc/00/19/00/510001900.db2.gz DWDLYNGKYMZORY-SFHVURJKSA-N 1 0 355.442 2.665 10 5 FFBERO CCOCC[N@@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1CC ZINC000184202295 510190376 /nfs/dbraw/zinc/19/03/76/510190376.db2.gz LKQYTWLBNJIFTC-OAHLLOKOSA-N 1 0 369.437 2.675 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190645184 510258688 /nfs/dbraw/zinc/25/86/88/510258688.db2.gz CXKKFQDRQAXOHU-OAHLLOKOSA-N 1 0 372.400 2.723 10 5 FFBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000175117501 510490061 /nfs/dbraw/zinc/49/00/61/510490061.db2.gz XMQIINIBUFBOPB-OAHLLOKOSA-N 1 0 363.458 2.679 10 5 FFBERO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000182194937 510808695 /nfs/dbraw/zinc/80/86/95/510808695.db2.gz OGHYQNNKBBSENK-CYBMUJFWSA-N 1 0 364.423 2.728 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000106180964 250250861 /nfs/dbraw/zinc/25/08/61/250250861.db2.gz HUIJAALFYRRELX-OAHLLOKOSA-N 1 0 359.430 2.724 10 5 FFBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572199 251209805 /nfs/dbraw/zinc/20/98/05/251209805.db2.gz RLVMOXLIWHTZRB-IAGOWNOFSA-N 1 0 358.398 2.931 10 5 FFBERO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235376984 509451293 /nfs/dbraw/zinc/45/12/93/509451293.db2.gz MIJVRAWWBGPPDC-KCJUWKMLSA-N 1 0 351.204 2.689 10 5 FFBERO C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235702885 509454357 /nfs/dbraw/zinc/45/43/57/509454357.db2.gz MIJVRAWWBGPPDC-KWQFWETISA-N 1 0 351.204 2.689 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000116248682 508492028 /nfs/dbraw/zinc/49/20/28/508492028.db2.gz YUDHXABTQFKGCL-UGSOOPFHSA-N 1 0 372.400 2.769 10 5 FFBERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000116928155 508571660 /nfs/dbraw/zinc/57/16/60/508571660.db2.gz PVFBACGMEZCDTL-OAHLLOKOSA-N 1 0 350.419 2.559 10 5 FFBERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000129501823 508733654 /nfs/dbraw/zinc/73/36/54/508733654.db2.gz UQYCBPJJOTWADZ-YIONKMFJSA-N 1 0 358.442 2.598 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000119479830 508804407 /nfs/dbraw/zinc/80/44/07/508804407.db2.gz VYZQURLNMYVNKO-GFCCVEGCSA-N 1 0 370.247 2.880 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000160162093 508947627 /nfs/dbraw/zinc/94/76/27/508947627.db2.gz SYWLYZTYSKWYQI-HNNXBMFYSA-N 1 0 367.471 2.542 10 5 FFBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160533996 508999620 /nfs/dbraw/zinc/99/96/20/508999620.db2.gz DQOBDTWNYWVXCQ-UHFFFAOYSA-N 1 0 373.413 2.535 10 5 FFBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@]4(O)CCCC[C@@H]4C3)n2)c1 ZINC000160674608 509018245 /nfs/dbraw/zinc/01/82/45/509018245.db2.gz XTILOMBCBSSQHC-RDTXWAMCSA-N 1 0 358.398 2.772 10 5 FFBERO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248088196 509233815 /nfs/dbraw/zinc/23/38/15/509233815.db2.gz TUSHOFXSYZWVLP-DLBZAZTESA-N 1 0 370.365 2.678 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000181308515 510350251 /nfs/dbraw/zinc/35/02/51/510350251.db2.gz PADDQRLQUZKZHN-HNNXBMFYSA-N 1 0 356.426 2.915 10 5 FFBERO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408529 510395268 /nfs/dbraw/zinc/39/52/68/510395268.db2.gz XRTRIZUHFBDUQO-RHSMWYFYSA-N 1 0 362.430 2.538 10 5 FFBERO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1SC ZINC000246802500 510682222 /nfs/dbraw/zinc/68/22/22/510682222.db2.gz BWHQMLHRIRXADC-RYUDHWBXSA-N 1 0 365.455 2.634 10 5 FFBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000247281420 510855262 /nfs/dbraw/zinc/85/52/62/510855262.db2.gz SEQVZCBCLFGJPB-GXTWGEPZSA-N 1 0 360.439 2.692 10 5 FFBERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1[N+](=O)[O-] ZINC000247305446 510856232 /nfs/dbraw/zinc/85/62/32/510856232.db2.gz VJTXZCKLPOVSLQ-CRAIPNDOSA-N 1 0 368.437 2.939 10 5 FFBERO CNC(=O)c1ccc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000311856747 511780654 /nfs/dbraw/zinc/78/06/54/511780654.db2.gz WVIMXQMFMUUQBH-AWEZNQCLSA-N 1 0 356.426 2.887 10 5 FFBERO C[C@@H]1[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814524 512586693 /nfs/dbraw/zinc/58/66/93/512586693.db2.gz FBQNREOLPRPMAL-YOEHRIQHSA-N 1 0 359.426 2.591 10 5 FFBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155684190 728834177 /nfs/dbraw/zinc/83/41/77/728834177.db2.gz XEHPVJJHHBBIBB-GWCFXTLKSA-N 1 0 370.247 2.816 10 5 FFBERO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177768416 729146137 /nfs/dbraw/zinc/14/61/37/729146137.db2.gz APMJXXZBZNWIBB-TZMCWYRMSA-N 1 0 366.849 2.745 10 5 FFBERO [NH3+]C1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000036813386 249371389 /nfs/dbraw/zinc/37/13/89/249371389.db2.gz HYMCVFXKLBPLID-UHFFFAOYSA-N 1 0 351.204 2.833 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107708507 250311343 /nfs/dbraw/zinc/31/13/43/250311343.db2.gz SCAWCSNKOWPTJT-HNNXBMFYSA-N 1 0 367.471 2.542 10 5 FFBERO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000153472616 251140990 /nfs/dbraw/zinc/14/09/90/251140990.db2.gz UBBLEHWMTACONW-ZDUSSCGKSA-N 1 0 373.375 2.768 10 5 FFBERO Cc1cc(N2CCC(n3cncn3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301220507 258034561 /nfs/dbraw/zinc/03/45/61/258034561.db2.gz BDBDDTCCILCBCO-UHFFFAOYSA-N 1 0 365.397 2.793 10 5 FFBERO Cc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302026803 258082758 /nfs/dbraw/zinc/08/27/58/258082758.db2.gz QNDDBXWVNYTEIZ-HNNXBMFYSA-N 1 0 372.469 2.980 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051377127 507765964 /nfs/dbraw/zinc/76/59/64/507765964.db2.gz WACJXTCMORAECF-CYBMUJFWSA-N 1 0 360.439 2.932 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079494629 507968220 /nfs/dbraw/zinc/96/82/20/507968220.db2.gz FGECGNPHQXGATF-AWEZNQCLSA-N 1 0 362.430 2.620 10 5 FFBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000120629799 509035248 /nfs/dbraw/zinc/03/52/48/509035248.db2.gz PLGMZCXASNTWDK-HUUCEWRRSA-N 1 0 359.426 2.742 10 5 FFBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)o2)cc1 ZINC000120993904 509105450 /nfs/dbraw/zinc/10/54/50/509105450.db2.gz GTNYFDSZPFTMTH-KRWDZBQOSA-N 1 0 357.410 2.761 10 5 FFBERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000182345016 509186737 /nfs/dbraw/zinc/18/67/37/509186737.db2.gz NMPMFBJJSPUKLK-GDBMZVCRSA-N 1 0 371.441 2.791 10 5 FFBERO CN1CC[NH+]([C@H]2CCCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352256 509189095 /nfs/dbraw/zinc/18/90/95/509189095.db2.gz LLLHLSYNDLCHKZ-KRWDZBQOSA-N 1 0 366.893 2.850 10 5 FFBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292093 509628530 /nfs/dbraw/zinc/62/85/30/509628530.db2.gz BRIRSYQVBHPAFZ-DLBZAZTESA-N 1 0 350.415 2.667 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245421027 509921016 /nfs/dbraw/zinc/92/10/16/509921016.db2.gz HTSHFVFUFKLFQG-KBPBESRZSA-N 1 0 366.849 2.745 10 5 FFBERO O=C1Nc2ccccc2[C@@H]1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194181966 510252223 /nfs/dbraw/zinc/25/22/23/510252223.db2.gz UCJAWPXIXPCUAV-AWEZNQCLSA-N 1 0 356.338 2.719 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000175036470 510452421 /nfs/dbraw/zinc/45/24/21/510452421.db2.gz VISDCXCFPDAYPI-DOTOQJQBSA-N 1 0 360.458 2.790 10 5 FFBERO CC[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181550017 510468742 /nfs/dbraw/zinc/46/87/42/510468742.db2.gz LNRYNIUPHALHMU-GOSISDBHSA-N 1 0 357.410 2.831 10 5 FFBERO C[C@H]1C[N@@H+](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCO1 ZINC000172179961 510585809 /nfs/dbraw/zinc/58/58/09/510585809.db2.gz YLPSSYHSHDHBRA-ZDUSSCGKSA-N 1 0 353.850 2.933 10 5 FFBERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375872505 512546983 /nfs/dbraw/zinc/54/69/83/512546983.db2.gz FRQBTYXKAAAKSW-UONOGXRCSA-N 1 0 362.386 2.592 10 5 FFBERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183069 513016906 /nfs/dbraw/zinc/01/69/06/513016906.db2.gz NUCRAUOYUZUFRK-NVXWUHKLSA-N 1 0 372.469 2.894 10 5 FFBERO CC(C)(C)OC(=O)n1cnc([C@@H]2CN(Cc3ccccc3)C[C@H]2[N+](=O)[O-])c1 ZINC000575153735 519529928 /nfs/dbraw/zinc/52/99/28/519529928.db2.gz GTGYNBNHBFNXOS-DOTOQJQBSA-N 1 0 372.425 2.911 10 5 FFBERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000104079798 250167655 /nfs/dbraw/zinc/16/76/55/250167655.db2.gz BMOLZFQPXMJESN-UHFFFAOYSA-N 1 0 366.849 2.747 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([NH+]2CCCC2)CC1 ZINC000104080284 250168158 /nfs/dbraw/zinc/16/81/58/250168158.db2.gz GYDZNCSNQKRCBT-UHFFFAOYSA-N 1 0 360.458 2.792 10 5 FFBERO Cc1c(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000106128892 250240349 /nfs/dbraw/zinc/24/03/49/250240349.db2.gz OOYAIUBPQQCRNC-UHFFFAOYSA-N 1 0 357.458 2.696 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107708618 250310563 /nfs/dbraw/zinc/31/05/63/250310563.db2.gz PXILZWHZPLMODG-INIZCTEOSA-N 1 0 367.471 2.542 10 5 FFBERO Cc1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000107708450 250311681 /nfs/dbraw/zinc/31/16/81/250311681.db2.gz SLVADECZBRKQTO-HNNXBMFYSA-N 1 0 367.471 2.542 10 5 FFBERO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302788816 258110903 /nfs/dbraw/zinc/11/09/03/258110903.db2.gz CYMVNZFDOSKUEV-LJQANCHMSA-N 1 0 359.401 2.807 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598448 258058015 /nfs/dbraw/zinc/05/80/15/258058015.db2.gz TYIIMYGVEGJWSE-GHMZBOCLSA-N 1 0 355.236 2.815 10 5 FFBERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189141307 509431987 /nfs/dbraw/zinc/43/19/87/509431987.db2.gz CVMFYQYXGOJNOX-LLVKDONJSA-N 1 0 363.867 2.503 10 5 FFBERO C[NH+](C)C[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000108951950 507928252 /nfs/dbraw/zinc/92/82/52/507928252.db2.gz LCYAVXWFZDTTIH-KRWDZBQOSA-N 1 0 369.421 2.593 10 5 FFBERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000112556675 508197102 /nfs/dbraw/zinc/19/71/02/508197102.db2.gz JZFSHLLZPOVNTN-LJQANCHMSA-N 1 0 370.453 2.872 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116245783 508491825 /nfs/dbraw/zinc/49/18/25/508491825.db2.gz SPACSSLXGRKBTK-HNAYVOBHSA-N 1 0 368.437 2.939 10 5 FFBERO Cn1cc([C@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000153930068 508679282 /nfs/dbraw/zinc/67/92/82/508679282.db2.gz HKVGBDSBYMQRFG-AWEZNQCLSA-N 1 0 353.382 2.973 10 5 FFBERO C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000123986050 508767033 /nfs/dbraw/zinc/76/70/33/508767033.db2.gz FRAJAAIKZXARJH-SUMWQHHRSA-N 1 0 369.487 2.921 10 5 FFBERO COc1ccc(NC(=O)CC[NH+]2CCC(c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000160533575 508999490 /nfs/dbraw/zinc/99/94/90/508999490.db2.gz FHMIMTQPMXIPMJ-UHFFFAOYSA-N 1 0 373.413 2.535 10 5 FFBERO CC(C)[N@H+]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155774750 509069695 /nfs/dbraw/zinc/06/96/95/509069695.db2.gz KPWXFUDKALYAAF-JSGCOSHPSA-N 1 0 369.849 2.862 10 5 FFBERO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000121197296 509148502 /nfs/dbraw/zinc/14/85/02/509148502.db2.gz IYAYUQMBPBGUSP-QPJJXVBHSA-N 1 0 369.469 2.901 10 5 FFBERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC[C@H]21 ZINC000247953274 509196615 /nfs/dbraw/zinc/19/66/15/509196615.db2.gz FGSCAKJDNZSOCI-MAUKXSAKSA-N 1 0 372.469 2.751 10 5 FFBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000179713226 509586173 /nfs/dbraw/zinc/58/61/73/509586173.db2.gz UBUPVJLMZDADKA-ZDUSSCGKSA-N 1 0 367.409 2.721 10 5 FFBERO COc1ccc(OCC[NH+]2CCC(Cc3nccn3C)CC2)c([N+](=O)[O-])c1 ZINC000173692359 509724037 /nfs/dbraw/zinc/72/40/37/509724037.db2.gz LPINUBKHWCICDZ-UHFFFAOYSA-N 1 0 374.441 2.670 10 5 FFBERO C[NH+](C)[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170858332 509816206 /nfs/dbraw/zinc/81/62/06/509816206.db2.gz HMDDJAPTZDLVMA-LBPRGKRZSA-N 1 0 374.363 2.578 10 5 FFBERO Cc1cccc(NC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)[nH+]1 ZINC000171365514 510109394 /nfs/dbraw/zinc/10/93/94/510109394.db2.gz YCVDTXPDSNBJSP-GFCCVEGCSA-N 1 0 358.427 2.946 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246254386 510390427 /nfs/dbraw/zinc/39/04/27/510390427.db2.gz XDEZFYCTRWKHFP-PWSUYJOCSA-N 1 0 368.231 2.666 10 5 FFBERO O=C(c1cc(N2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000171831648 510396253 /nfs/dbraw/zinc/39/62/53/510396253.db2.gz HPOUHLJVNNJYSD-UHFFFAOYSA-N 1 0 358.442 2.505 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000175036452 510451289 /nfs/dbraw/zinc/45/12/89/510451289.db2.gz VISDCXCFPDAYPI-NVXWUHKLSA-N 1 0 360.458 2.790 10 5 FFBERO CCn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3COC)CC2)cn1 ZINC000175101948 510483783 /nfs/dbraw/zinc/48/37/83/510483783.db2.gz OWVQUEOUCCOAST-UHFFFAOYSA-N 1 0 373.457 2.670 10 5 FFBERO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000172021249 510502616 /nfs/dbraw/zinc/50/26/16/510502616.db2.gz WSDRTRKPLYJPME-CYBMUJFWSA-N 1 0 353.850 2.933 10 5 FFBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000175167365 510514335 /nfs/dbraw/zinc/51/43/35/510514335.db2.gz ZDZWPRDVMJQDMZ-INIZCTEOSA-N 1 0 360.458 2.751 10 5 FFBERO Cc1ccc(Sc2ccc(CNC[C@H]3C[NH2+]C[C@H]3O)cc2[N+](=O)[O-])cc1 ZINC000263203978 510610741 /nfs/dbraw/zinc/61/07/41/510610741.db2.gz JMAKDRGKQWCFLN-MAUKXSAKSA-N 1 0 373.478 2.724 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000175436831 510645999 /nfs/dbraw/zinc/64/59/99/510645999.db2.gz ROCOZLYCQOIFOA-CHWSQXEVSA-N 1 0 362.386 2.510 10 5 FFBERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155112174 728820852 /nfs/dbraw/zinc/82/08/52/728820852.db2.gz OTXLPOCDCHJVJN-NSHDSACASA-N 1 0 371.235 2.963 10 5 FFBERO COCCC[NH+]1CCC(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588445042 965005682 /nfs/dbraw/zinc/00/56/82/965005682.db2.gz COSYYLUNIPNPTM-PFONDFGASA-N 1 0 361.442 2.615 10 5 FFBERO C[N+]1(CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CCOCC1 ZINC000006068271 219712478 /nfs/dbraw/zinc/71/24/78/219712478.db2.gz HORQIDZSTJQGMP-UHFFFAOYSA-N 1 0 370.429 2.718 10 5 FFBERO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000103150263 250137154 /nfs/dbraw/zinc/13/71/54/250137154.db2.gz GMSUKIQJBFTZGD-AWEZNQCLSA-N 1 0 373.413 2.570 10 5 FFBERO CC[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000302039058 258083733 /nfs/dbraw/zinc/08/37/33/258083733.db2.gz VRYQHQKQRJFNMA-OAHLLOKOSA-N 1 0 358.442 2.998 10 5 FFBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732215 507859792 /nfs/dbraw/zinc/85/97/92/507859792.db2.gz LDRZLROGBJPGLI-WBVHZDCISA-N 1 0 355.442 2.965 10 5 FFBERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ncccc1[N+](=O)[O-] ZINC000110561093 508033378 /nfs/dbraw/zinc/03/33/78/508033378.db2.gz XYRZCUHHQZURJB-LJQANCHMSA-N 1 0 370.453 2.872 10 5 FFBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482925 508320596 /nfs/dbraw/zinc/32/05/96/508320596.db2.gz MLQCBQDTJFEBPV-MRXNPFEDSA-N 1 0 373.413 2.882 10 5 FFBERO CCCn1cc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000106158566 508396386 /nfs/dbraw/zinc/39/63/86/508396386.db2.gz NRORTCVFZQLGPN-UHFFFAOYSA-N 1 0 357.458 2.909 10 5 FFBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152451061 508449193 /nfs/dbraw/zinc/44/91/93/508449193.db2.gz IAQGSDAZAMYLPC-MRXNPFEDSA-N 1 0 370.409 2.780 10 5 FFBERO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000120180428 508945161 /nfs/dbraw/zinc/94/51/61/508945161.db2.gz CHAHDMUBMVQNKH-ZGRWHYIRSA-N 1 0 353.426 2.999 10 5 FFBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCSCc1ccccc1 ZINC000169346444 509658445 /nfs/dbraw/zinc/65/84/45/509658445.db2.gz FFNJTKBGIAURHR-MRXNPFEDSA-N 1 0 362.451 2.858 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000190448769 510138436 /nfs/dbraw/zinc/13/84/36/510138436.db2.gz SGFLZMBCFVKHHC-CQSZACIVSA-N 1 0 372.454 2.657 10 5 FFBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000171479447 510186272 /nfs/dbraw/zinc/18/62/72/510186272.db2.gz ZJRFYYDUSFITLY-LLVKDONJSA-N 1 0 353.444 2.539 10 5 FFBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190578956 510219819 /nfs/dbraw/zinc/21/98/19/510219819.db2.gz YAXVRNMOYWSGHK-KRWDZBQOSA-N 1 0 368.437 2.892 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175040263 510454016 /nfs/dbraw/zinc/45/40/16/510454016.db2.gz HQLFJYWZZPTWRF-HZPDHXFCSA-N 1 0 360.458 2.790 10 5 FFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175038498 510454172 /nfs/dbraw/zinc/45/41/72/510454172.db2.gz UVDUDMHEEQISOR-GDBMZVCRSA-N 1 0 357.414 2.703 10 5 FFBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178753457 510754188 /nfs/dbraw/zinc/75/41/88/510754188.db2.gz LWLCGQVKRGXLIY-INIZCTEOSA-N 1 0 371.441 2.901 10 5 FFBERO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182104377 510760181 /nfs/dbraw/zinc/76/01/81/510760181.db2.gz IBEXHKVMGHPCHI-AWEZNQCLSA-N 1 0 357.410 2.854 10 5 FFBERO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027696 512986325 /nfs/dbraw/zinc/98/63/25/512986325.db2.gz AVQHMPZZVCZDQJ-GJZGRUSLSA-N 1 0 370.247 2.575 10 5 FFBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000588445751 965031543 /nfs/dbraw/zinc/03/15/43/965031543.db2.gz SGEBVAJGEFQELJ-PEZBUJJGSA-N 1 0 368.437 2.984 10 5 FFBERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104080256 250167530 /nfs/dbraw/zinc/16/75/30/250167530.db2.gz ULHDSQMJXPETER-UHFFFAOYSA-N 1 0 366.849 2.747 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598451 258057929 /nfs/dbraw/zinc/05/79/29/258057929.db2.gz TYIIMYGVEGJWSE-QWRGUYRKSA-N 1 0 355.236 2.815 10 5 FFBERO CS(=O)(=O)c1cc(NCc2ccc(-n3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000301796417 258068006 /nfs/dbraw/zinc/06/80/06/258068006.db2.gz QGBWFTXYLJRQJW-UHFFFAOYSA-N 1 0 372.406 2.796 10 5 FFBERO C[NH+](C)C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000054646371 506594536 /nfs/dbraw/zinc/59/45/36/506594536.db2.gz JFUUQXBLJZNLFW-SFHVURJKSA-N 1 0 356.426 2.739 10 5 FFBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107838523 507869729 /nfs/dbraw/zinc/86/97/29/507869729.db2.gz KHDWAWYTTHSXLV-GOSISDBHSA-N 1 0 360.458 2.797 10 5 FFBERO Cn1cc([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000128361723 508582594 /nfs/dbraw/zinc/58/25/94/508582594.db2.gz UINUYPTXBNAOOA-OAHLLOKOSA-N 1 0 366.425 2.718 10 5 FFBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193519143 509947928 /nfs/dbraw/zinc/94/79/28/509947928.db2.gz RLLWEVVYDJVPLW-ZDUSSCGKSA-N 1 0 361.471 2.900 10 5 FFBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245520588 509981513 /nfs/dbraw/zinc/98/15/13/509981513.db2.gz JSLBDQDGJZBYQD-PWSUYJOCSA-N 1 0 355.341 2.505 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000190448024 510136259 /nfs/dbraw/zinc/13/62/59/510136259.db2.gz VQOUCQGBOICUEL-CQSZACIVSA-N 1 0 361.833 2.997 10 5 FFBERO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171832170 510397608 /nfs/dbraw/zinc/39/76/08/510397608.db2.gz XRWHSBBKSHRJTM-CQSZACIVSA-N 1 0 358.442 2.672 10 5 FFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000175040503 510453257 /nfs/dbraw/zinc/45/32/57/510453257.db2.gz HYJHBLOHEPNDPP-GOEBONIOSA-N 1 0 357.414 2.703 10 5 FFBERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000181682904 510536876 /nfs/dbraw/zinc/53/68/76/510536876.db2.gz FNQWRLJNCBVPKZ-INIZCTEOSA-N 1 0 361.377 2.633 10 5 FFBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246534506 510541660 /nfs/dbraw/zinc/54/16/60/510541660.db2.gz AJXRZHLGXAOZMU-KXBFYZLASA-N 1 0 361.442 2.859 10 5 FFBERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCO1 ZINC000182080382 510745199 /nfs/dbraw/zinc/74/51/99/510745199.db2.gz DAXVQULHKUSAGT-ZDUSSCGKSA-N 1 0 353.850 2.933 10 5 FFBERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750952 /nfs/dbraw/zinc/75/09/52/510750952.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 1 0 370.453 2.823 10 5 FFBERO Cc1c(NC(=O)CCN2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000104080288 250167820 /nfs/dbraw/zinc/16/78/20/250167820.db2.gz WXZHIABTOJGBGU-UHFFFAOYSA-N 1 0 360.458 2.792 10 5 FFBERO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000302051417 258084575 /nfs/dbraw/zinc/08/45/75/258084575.db2.gz OVWMRUOGONCROT-UHFFFAOYSA-N 1 0 363.458 2.659 10 5 FFBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000301988664 258080557 /nfs/dbraw/zinc/08/05/57/258080557.db2.gz NYYQODYWSKYBSF-MRXNPFEDSA-N 1 0 360.458 2.799 10 5 FFBERO Cc1c(NC(=O)[C@H](C)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000066533583 506548621 /nfs/dbraw/zinc/54/86/21/506548621.db2.gz ZGUJSBXONRBOEO-HNNXBMFYSA-N 1 0 360.458 2.790 10 5 FFBERO CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106867451 507824936 /nfs/dbraw/zinc/82/49/36/507824936.db2.gz HTDZOCCJFLSTMY-WMZOPIPTSA-N 1 0 352.431 2.616 10 5 FFBERO COc1ccc2oc(C[NH2+][C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000125583777 509003216 /nfs/dbraw/zinc/00/32/16/509003216.db2.gz LDAVYDVIKHRZCZ-HKUYNNGSSA-N 1 0 372.377 2.534 10 5 FFBERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000188993359 509359215 /nfs/dbraw/zinc/35/92/15/509359215.db2.gz DILUDFKYCLIUNZ-MFKMUULPSA-N 1 0 367.377 2.810 10 5 FFBERO C[N@H+](CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000248581139 509376369 /nfs/dbraw/zinc/37/63/69/509376369.db2.gz VVMNMBJFAPPZMJ-QGZVFWFLSA-N 1 0 373.432 2.747 10 5 FFBERO COc1ccc(OCC[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000173700567 509728281 /nfs/dbraw/zinc/72/82/81/509728281.db2.gz ZHAKTSXYPUZLPE-HNNXBMFYSA-N 1 0 360.414 2.824 10 5 FFBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190573979 510215114 /nfs/dbraw/zinc/21/51/14/510215114.db2.gz FAGSUCVYMBWRFM-SFHVURJKSA-N 1 0 368.437 2.513 10 5 FFBERO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408550 510395349 /nfs/dbraw/zinc/39/53/49/510395349.db2.gz XRTRIZUHFBDUQO-WMLDXEAASA-N 1 0 362.430 2.538 10 5 FFBERO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000175097554 510481840 /nfs/dbraw/zinc/48/18/40/510481840.db2.gz SSQBORPPMACPFO-FQEVSTJZSA-N 1 0 371.437 2.597 10 5 FFBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712577 510490516 /nfs/dbraw/zinc/49/05/16/510490516.db2.gz LVGUAEUGICGCOU-HOTGVXAUSA-N 1 0 365.386 2.567 10 5 FFBERO Cc1ccc(Sc2ccc(CNC[C@H]3C[NH2+]C[C@@H]3O)cc2[N+](=O)[O-])cc1 ZINC000263203980 510610642 /nfs/dbraw/zinc/61/06/42/510610642.db2.gz JMAKDRGKQWCFLN-YJBOKZPZSA-N 1 0 373.478 2.724 10 5 FFBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742188 510647831 /nfs/dbraw/zinc/64/78/31/510647831.db2.gz BALLVAGIJWENRH-WWGRRREGSA-N 1 0 351.472 2.920 10 5 FFBERO