smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000245698690 178375738 /nfs/dbraw/zinc/37/57/38/178375738.db2.gz CRVCXLRCYBJKER-ZFWWWQNUSA-N 1 0 367.446 1.889 10 5 FDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000126225520 173033609 /nfs/dbraw/zinc/03/36/09/173033609.db2.gz SPPRFFHNCNRDEX-GFCCVEGCSA-N 1 0 350.419 1.342 10 5 FDBERO Cc1c(NC(=O)CCN2CCO[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000155276919 173532603 /nfs/dbraw/zinc/53/26/03/173532603.db2.gz IGNNVYBAKMQQPA-CQSZACIVSA-N 1 0 350.419 1.494 10 5 FDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000175543514 174012061 /nfs/dbraw/zinc/01/20/61/174012061.db2.gz XOXYYKKDGSJWFC-CYBMUJFWSA-N 1 0 362.386 1.445 10 5 FDBERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000180044676 258361211 /nfs/dbraw/zinc/36/12/11/258361211.db2.gz ZQLYGFJLRWCUDM-BBRMVZONSA-N 1 0 355.460 1.785 10 5 FDBERO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1CC ZINC000110560644 524103838 /nfs/dbraw/zinc/10/38/38/524103838.db2.gz NNFHOAAEENYPNP-GFCCVEGCSA-N 1 0 351.407 1.026 10 5 FDBERO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174621103 524657084 /nfs/dbraw/zinc/65/70/84/524657084.db2.gz MCRCPDBZHPDHLF-ZIAGYGMSSA-N 1 0 364.446 1.578 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000123036476 524665342 /nfs/dbraw/zinc/66/53/42/524665342.db2.gz VFYPMZKSYHYHFV-NSHDSACASA-N 1 0 372.219 1.760 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123471912 524758510 /nfs/dbraw/zinc/75/85/10/524758510.db2.gz FIHMEYGKIJYWMO-SFHVURJKSA-N 1 0 373.457 1.884 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000174976459 524818640 /nfs/dbraw/zinc/81/86/40/524818640.db2.gz XQJLBJJBXYUPKF-XJKSGUPXSA-N 1 0 370.413 1.874 10 5 FDBERO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1CCOC ZINC000117305960 525315600 /nfs/dbraw/zinc/31/56/00/525315600.db2.gz OJBNNXWNUXSKLQ-AWEZNQCLSA-N 1 0 353.423 1.059 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118858829 525567667 /nfs/dbraw/zinc/56/76/67/525567667.db2.gz MIXGOFYNIXHZTQ-INIZCTEOSA-N 1 0 364.446 1.620 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118858983 525569326 /nfs/dbraw/zinc/56/93/26/525569326.db2.gz NQSYAYJZKOOYDG-XJKSGUPXSA-N 1 0 350.419 1.310 10 5 FDBERO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000106116352 525609363 /nfs/dbraw/zinc/60/93/63/525609363.db2.gz WMIIDZMDLXCQBR-HOCLYGCPSA-N 1 0 364.446 1.964 10 5 FDBERO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000106115973 525609730 /nfs/dbraw/zinc/60/97/30/525609730.db2.gz FOIBSHUGZIFZMR-GJZGRUSLSA-N 1 0 364.446 1.964 10 5 FDBERO CC[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000106115751 525610172 /nfs/dbraw/zinc/61/01/72/525610172.db2.gz IHRPLLBYTVEGHI-OAHLLOKOSA-N 1 0 364.446 1.884 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106183840 525658921 /nfs/dbraw/zinc/65/89/21/525658921.db2.gz KSOZOWBMEZKSOZ-KRWDZBQOSA-N 1 0 360.414 1.943 10 5 FDBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182232623 526103386 /nfs/dbraw/zinc/10/33/86/526103386.db2.gz BDOSJMZOZLYVKJ-HNNXBMFYSA-N 1 0 373.413 1.701 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171939280 526186996 /nfs/dbraw/zinc/18/69/96/526186996.db2.gz LIJPTOYNPLHSJL-SNVBAGLBSA-N 1 0 350.331 1.574 10 5 FDBERO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182853639 535876045 /nfs/dbraw/zinc/87/60/45/535876045.db2.gz RLTLXXXVYCYJFD-LBPRGKRZSA-N 1 0 365.411 1.972 10 5 FDBERO CC[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000184941424 536192728 /nfs/dbraw/zinc/19/27/28/536192728.db2.gz WGESPHFARGARKV-GDBMZVCRSA-N 1 0 364.446 1.624 10 5 FDBERO NC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000188119259 536283281 /nfs/dbraw/zinc/28/32/81/536283281.db2.gz AWGBZHZXWGURQL-GJZGRUSLSA-N 1 0 361.423 1.963 10 5 FDBERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000263225266 536994725 /nfs/dbraw/zinc/99/47/25/536994725.db2.gz MRTVLBJBGIIRPX-AWEZNQCLSA-N 1 0 355.358 1.407 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000246745218 537017290 /nfs/dbraw/zinc/01/72/90/537017290.db2.gz NIVPSTAUUXXBFB-KBPBESRZSA-N 1 0 350.419 1.310 10 5 FDBERO Cc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247361671 537113347 /nfs/dbraw/zinc/11/33/47/537113347.db2.gz OOZNZACCFFDAPC-MLGOLLRUSA-N 1 0 372.429 1.942 10 5 FDBERO CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000247609344 537140570 /nfs/dbraw/zinc/14/05/70/537140570.db2.gz MDMCWLREYHRZFV-GOEBONIOSA-N 1 0 364.446 1.700 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247779137 537150020 /nfs/dbraw/zinc/15/00/20/537150020.db2.gz RMAXKZHGILMVBC-KGLIPLIRSA-N 1 0 350.419 1.310 10 5 FDBERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248455262 537184232 /nfs/dbraw/zinc/18/42/32/537184232.db2.gz KVQVIMCCRQILLF-HUUCEWRRSA-N 1 0 365.430 1.715 10 5 FDBERO C[C@@H]1C[C@H]2[C@@H](S1)N(O)[C@@H]1CCCC[C@H]1[NH2+][C@H]2N1CC[N+](C)([O-])CC1 ZINC000575627287 550467702 /nfs/dbraw/zinc/46/77/02/550467702.db2.gz NMUJEYJKJPDVIW-FFWIBEFTSA-N 1 0 357.544 1.537 10 5 FDBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000262003165 178655560 /nfs/dbraw/zinc/65/55/60/178655560.db2.gz VLJUNQNPNVLHOB-SECBINFHSA-N 1 0 372.223 1.044 10 5 FDBERO COc1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000150814591 173382500 /nfs/dbraw/zinc/38/25/00/173382500.db2.gz PMUPCNLFRQYINM-VXGBXAGGSA-N 1 0 355.416 1.461 10 5 FDBERO COc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150822660 173382594 /nfs/dbraw/zinc/38/25/94/173382594.db2.gz NEAGPDZMXXVSJY-AAEUAGOBSA-N 1 0 357.432 1.610 10 5 FDBERO COc1ccc(OCC[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000177232810 174116660 /nfs/dbraw/zinc/11/66/60/174116660.db2.gz GJTJNNIOVLJXLK-YOEHRIQHSA-N 1 0 365.430 1.635 10 5 FDBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000180646479 258372373 /nfs/dbraw/zinc/37/23/73/258372373.db2.gz QZDLJUBDXCHUFJ-GUYCJALGSA-N 1 0 356.386 1.689 10 5 FDBERO O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173995684 258316441 /nfs/dbraw/zinc/31/64/41/258316441.db2.gz CYBUUNAXTGKCTL-CYBMUJFWSA-N 1 0 368.821 1.593 10 5 FDBERO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)nn21 ZINC000301974295 259036807 /nfs/dbraw/zinc/03/68/07/259036807.db2.gz VIKVDARUCNNIPX-KGLIPLIRSA-N 1 0 360.418 1.817 10 5 FDBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112550959 524507027 /nfs/dbraw/zinc/50/70/27/524507027.db2.gz ZUIOZGLZDAUHCC-NWDGAFQWSA-N 1 0 358.402 1.680 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174344860 524545189 /nfs/dbraw/zinc/54/51/89/524545189.db2.gz KGTZATMCLIEEJA-ZIAGYGMSSA-N 1 0 351.403 1.277 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000113224170 524641566 /nfs/dbraw/zinc/64/15/66/524641566.db2.gz RXAJSUWCZJNWFV-IUODEOHRSA-N 1 0 356.386 1.484 10 5 FDBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000123036278 524665808 /nfs/dbraw/zinc/66/58/08/524665808.db2.gz VFYPMZKSYHYHFV-LLVKDONJSA-N 1 0 372.219 1.760 10 5 FDBERO CC[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174647042 524672359 /nfs/dbraw/zinc/67/23/59/524672359.db2.gz LOVIKCMANBAEDT-HUUCEWRRSA-N 1 0 364.446 1.335 10 5 FDBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000116900852 525249650 /nfs/dbraw/zinc/24/96/50/525249650.db2.gz KBTYPGSSOQNTDF-NSHDSACASA-N 1 0 363.823 1.199 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000118857664 525565047 /nfs/dbraw/zinc/56/50/47/525565047.db2.gz KFFDBQNCLVJGKA-OAHLLOKOSA-N 1 0 361.402 1.533 10 5 FDBERO CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000106114941 525606760 /nfs/dbraw/zinc/60/67/60/525606760.db2.gz IMWHZSVGVISMAD-OAHLLOKOSA-N 1 0 350.419 1.236 10 5 FDBERO Cc1c(NC(=O)CCN2CCO[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000155277028 525804707 /nfs/dbraw/zinc/80/47/07/525804707.db2.gz IGNNVYBAKMQQPA-AWEZNQCLSA-N 1 0 350.419 1.494 10 5 FDBERO CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000108448290 525969365 /nfs/dbraw/zinc/96/93/65/525969365.db2.gz PLBCPDBUIXWTBS-LLVKDONJSA-N 1 0 368.821 1.579 10 5 FDBERO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000109292460 526100735 /nfs/dbraw/zinc/10/07/35/526100735.db2.gz FPKXZWHVHBUYHS-UHFFFAOYSA-N 1 0 371.441 1.957 10 5 FDBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183752000 536044430 /nfs/dbraw/zinc/04/44/30/536044430.db2.gz ONGGMGOIKDUGDM-HNNXBMFYSA-N 1 0 362.430 1.576 10 5 FDBERO CC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000184972533 536194756 /nfs/dbraw/zinc/19/47/56/536194756.db2.gz HUTBMHXRWMJBKQ-HIFRSBDPSA-N 1 0 350.419 1.581 10 5 FDBERO COCC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@@H]1C ZINC000246330690 536929683 /nfs/dbraw/zinc/92/96/83/536929683.db2.gz GQKHXTCBWONZIA-ZDUSSCGKSA-N 1 0 351.403 1.847 10 5 FDBERO CC[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246885710 537044748 /nfs/dbraw/zinc/04/47/48/537044748.db2.gz OTWHEIWSOUSWEJ-GJZGRUSLSA-N 1 0 365.430 1.667 10 5 FDBERO COCC[N@@H+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000247564998 537135393 /nfs/dbraw/zinc/13/53/93/537135393.db2.gz GLUWQRBZNOCPAK-AWEZNQCLSA-N 1 0 364.446 1.884 10 5 FDBERO CC[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247768606 537148640 /nfs/dbraw/zinc/14/86/40/537148640.db2.gz OMBXZQLVVDXDJS-UXLLHSPISA-N 1 0 367.446 1.112 10 5 FDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247809561 537151881 /nfs/dbraw/zinc/15/18/81/537151881.db2.gz ULNTUDULUNNCMP-UONOGXRCSA-N 1 0 350.419 1.229 10 5 FDBERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000248853738 672541169 /nfs/dbraw/zinc/54/11/69/672541169.db2.gz KGRQRJPXARGKQQ-QJPTWQEYSA-N 1 0 366.443 1.518 10 5 FDBERO FC(F)(F)c1cc(Cl)ccc1-n1nnnc1C[N+]12CCN(CC1)CC2 ZINC000060511407 717131996 /nfs/dbraw/zinc/13/19/96/717131996.db2.gz POICHYBOBNENPM-UHFFFAOYSA-N 1 0 373.790 1.981 10 5 FDBERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193245019 178153361 /nfs/dbraw/zinc/15/33/61/178153361.db2.gz IDULIVZFPOEISK-LLVKDONJSA-N 1 0 350.400 1.645 10 5 FDBERO NS(=O)(=O)c1ccc(NC[C@@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262208709 178694473 /nfs/dbraw/zinc/69/44/73/178694473.db2.gz LJYWEXSEVBFZPI-HNNXBMFYSA-N 1 0 362.411 1.541 10 5 FDBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269869980 674125425 /nfs/dbraw/zinc/12/54/25/674125425.db2.gz MPMODAVHHGFIRZ-GFCCVEGCSA-N 1 0 356.448 1.775 10 5 FDBERO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000131794220 173213389 /nfs/dbraw/zinc/21/33/89/173213389.db2.gz NGXBXGFVFRJGFG-AWEZNQCLSA-N 1 0 358.402 1.147 10 5 FDBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000180646496 258372473 /nfs/dbraw/zinc/37/24/73/258372473.db2.gz QZDLJUBDXCHUFJ-DYVFJYSZSA-N 1 0 356.386 1.689 10 5 FDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000121847227 524381999 /nfs/dbraw/zinc/38/19/99/524381999.db2.gz DNAMXSGZPJPERZ-ZDUSSCGKSA-N 1 0 350.419 1.934 10 5 FDBERO CC[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174642941 524669470 /nfs/dbraw/zinc/66/94/70/524669470.db2.gz KMEBQOMOGCJYAD-KGLIPLIRSA-N 1 0 351.403 1.277 10 5 FDBERO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000124872672 525098289 /nfs/dbraw/zinc/09/82/89/525098289.db2.gz GTZOPTSSNNWUKZ-GFCCVEGCSA-N 1 0 356.448 1.046 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000118856304 525564510 /nfs/dbraw/zinc/56/45/10/525564510.db2.gz OAPYHVRMGKAIBA-HNNXBMFYSA-N 1 0 361.402 1.533 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000106101211 525585741 /nfs/dbraw/zinc/58/57/41/525585741.db2.gz IZAZATSFKIJSFB-VXGBXAGGSA-N 1 0 370.837 1.574 10 5 FDBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106176716 525655636 /nfs/dbraw/zinc/65/56/36/525655636.db2.gz FKQLQRZEWKOCFS-KGLIPLIRSA-N 1 0 358.402 1.926 10 5 FDBERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180077559 525661881 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CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC[C@@H](C)[NH3+] ZINC000178674462 258331968 /nfs/dbraw/zinc/33/19/68/258331968.db2.gz HHUYBJQLXKQGPD-YGRLFVJLSA-N 1 0 370.837 1.856 10 5 FDBERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178913512 258339800 /nfs/dbraw/zinc/33/98/00/258339800.db2.gz ADKFOJKRZFBJRH-SSDOTTSWSA-N 1 0 352.210 1.373 10 5 FDBERO NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301562525 259029738 /nfs/dbraw/zinc/02/97/38/259029738.db2.gz YFTIIYJSKFDKIG-INIZCTEOSA-N 1 0 370.409 1.525 10 5 FDBERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000049379096 522837290 /nfs/dbraw/zinc/83/72/90/522837290.db2.gz BAKUTRCXHFUZMW-INIZCTEOSA-N 1 0 356.382 1.952 10 5 FDBERO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000160173428 524824093 /nfs/dbraw/zinc/82/40/93/524824093.db2.gz BIIJOMNGSJIFFH-AWEZNQCLSA-N 1 0 350.419 1.360 10 5 FDBERO C[NH+](C)C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000116790964 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JWDVEHOZOWMTCB-WBVHZDCISA-N 1 0 367.446 1.377 10 5 FDBERO Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000155330611 525827220 /nfs/dbraw/zinc/82/72/20/525827220.db2.gz IHIFSZPYSPAHKG-ZIAGYGMSSA-N 1 0 350.419 1.493 10 5 FDBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185172305 536201252 /nfs/dbraw/zinc/20/12/52/536201252.db2.gz CKQGOFBLQMJGIZ-CQSZACIVSA-N 1 0 352.366 1.615 10 5 FDBERO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247172952 537089640 /nfs/dbraw/zinc/08/96/40/537089640.db2.gz RFKWKBVICABIQX-DGCLKSJQSA-N 1 0 357.432 1.610 10 5 FDBERO CC[C@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000247534643 537129958 /nfs/dbraw/zinc/12/99/58/537129958.db2.gz CICIPNMOQYGBJN-ZBFHGGJFSA-N 1 0 364.446 1.964 10 5 FDBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](Cn2cncn2)C1 ZINC000247590858 537138880 /nfs/dbraw/zinc/13/88/80/537138880.db2.gz JOUHQGMLAUWLGA-ZIAGYGMSSA-N 1 0 358.402 1.926 10 5 FDBERO CC[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247774093 537149159 /nfs/dbraw/zinc/14/91/59/537149159.db2.gz QBGXLPOEGKAWPN-GJZGRUSLSA-N 1 0 364.446 1.700 10 5 FDBERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124715686 671740457 /nfs/dbraw/zinc/74/04/57/671740457.db2.gz SUFPEQGFVHZRHA-QMMMGPOBSA-N 1 0 364.221 1.469 10 5 FDBERO CCOC(=O)c1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000246113554 672492115 /nfs/dbraw/zinc/49/21/15/672492115.db2.gz QJUHPDFAGTTXHH-OLZOCXBDSA-N 1 0 351.403 1.663 10 5 FDBERO CCOC(=O)c1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246113558 672492272 /nfs/dbraw/zinc/49/22/72/672492272.db2.gz QJUHPDFAGTTXHH-QWHCGFSZSA-N 1 0 351.403 1.663 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000249167062 672548081 /nfs/dbraw/zinc/54/80/81/672548081.db2.gz KIWNHKXLOORENW-PWSUYJOCSA-N 1 0 366.805 1.882 10 5 FDBERO 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CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247605043 537139845 /nfs/dbraw/zinc/13/98/45/537139845.db2.gz LOBMPDTXXIHBOU-SQWLQELKSA-N 1 0 364.446 1.699 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190102212 537140424 /nfs/dbraw/zinc/14/04/24/537140424.db2.gz KIWNHKXLOORENW-ZYHUDNBSSA-N 1 0 366.805 1.882 10 5 FDBERO CS(=O)(=O)c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000261672694 672648200 /nfs/dbraw/zinc/64/82/00/672648200.db2.gz LXCLLQFCNUYDHK-CQSZACIVSA-N 1 0 353.444 1.967 10 5 FDBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261688666 672651845 /nfs/dbraw/zinc/65/18/45/672651845.db2.gz NCGDVOVXZCFPSH-LBPRGKRZSA-N 1 0 355.236 1.841 10 5 FDBERO CN(C)C(=O)Oc1cccc(OCC(=O)NCC[N+]2(C)CCCCC2)c1 ZINC000095681335 717139737 /nfs/dbraw/zinc/13/97/37/717139737.db2.gz BIWSREDQWOHXLU-UHFFFAOYSA-O 1 0 364.466 1.873 10 5 FDBERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 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CAEKRQIXOCJZGC-AWEZNQCLSA-N 1 0 355.358 1.407 10 5 FDBERO CCOc1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1OC ZINC000263306167 537013940 /nfs/dbraw/zinc/01/39/40/537013940.db2.gz XXYFEMQGEFDTRG-LBPRGKRZSA-N 1 0 363.374 1.628 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000247029033 537070658 /nfs/dbraw/zinc/07/06/58/537070658.db2.gz TZDVTRPRPHWCSI-CABCVRRESA-N 1 0 361.398 1.871 10 5 FDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247073362 537078330 /nfs/dbraw/zinc/07/83/30/537078330.db2.gz HOXKWCRBSXRICR-AAEUAGOBSA-N 1 0 355.416 1.461 10 5 FDBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190090510 537138386 /nfs/dbraw/zinc/13/83/86/537138386.db2.gz VNICKXVAXZZDCV-GXTWGEPZSA-N 1 0 360.414 1.845 10 5 FDBERO CCOCC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000247772073 537149290 /nfs/dbraw/zinc/14/92/90/537149290.db2.gz PMYUGTWPUVVKPM-CYBMUJFWSA-N 1 0 350.419 1.236 10 5 FDBERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247777445 537149586 /nfs/dbraw/zinc/14/95/86/537149586.db2.gz QZDZLZIYDYWEOA-SOUVJXGZSA-N 1 0 364.446 1.699 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000248420297 537180171 /nfs/dbraw/zinc/18/01/71/537180171.db2.gz LQQCFMXRQBBNIX-CVEARBPZSA-N 1 0 374.441 1.718 10 5 FDBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000261773304 672669750 /nfs/dbraw/zinc/66/97/50/672669750.db2.gz PMDDEWLPPDMJFO-ZETCQYMHSA-N 1 0 352.210 1.244 10 5 FDBERO O=C(NC[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000262173581 672740788 /nfs/dbraw/zinc/74/07/88/672740788.db2.gz IBAHDDUKXPIUBM-AAEUAGOBSA-N 1 0 367.837 1.728 10 5 FDBERO O=C(NC[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000262259527 672756772 /nfs/dbraw/zinc/75/67/72/672756772.db2.gz QYPUWXJQDDYIJW-TZMCWYRMSA-N 1 0 350.394 1.819 10 5 FDBERO O=C(NC[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000262293559 672763569 /nfs/dbraw/zinc/76/35/69/672763569.db2.gz WJAGSNJADMONGE-GXTWGEPZSA-N 1 0 350.394 1.819 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000095936164 132215963 /nfs/dbraw/zinc/21/59/63/132215963.db2.gz QYVYHGYNLSOLPQ-AWEZNQCLSA-N 1 0 365.386 1.501 10 5 FDBERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000173453726 258299682 /nfs/dbraw/zinc/29/96/82/258299682.db2.gz CAPNQCJYJCBWGV-CABCVRRESA-N 1 0 364.446 1.619 10 5 FDBERO Nc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089959774 172253437 /nfs/dbraw/zinc/25/34/37/172253437.db2.gz ZEVXCVQBSSXLBT-CVEARBPZSA-N 1 0 370.409 1.542 10 5 FDBERO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128469758 173110590 /nfs/dbraw/zinc/11/05/90/173110590.db2.gz VELJEPQGDSEYAY-LLVKDONJSA-N 1 0 353.350 1.948 10 5 FDBERO O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1C[NH2+]CCO1 ZINC000134270463 173321618 /nfs/dbraw/zinc/32/16/18/173321618.db2.gz YCMQUXWKTTYADK-VIFPVBQESA-N 1 0 363.155 1.600 10 5 FDBERO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000136813333 173365027 /nfs/dbraw/zinc/36/50/27/173365027.db2.gz MMVJWUIVGQDSME-BZNIZROVSA-N 1 0 365.411 1.626 10 5 FDBERO Cc1ccc(N2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000137039129 173367232 /nfs/dbraw/zinc/36/72/32/173367232.db2.gz DAQGPVJHQVIUPI-KRWDZBQOSA-N 1 0 357.414 1.939 10 5 FDBERO COc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000150822636 173382515 /nfs/dbraw/zinc/38/25/15/173382515.db2.gz NEAGPDZMXXVSJY-YPMHNXCESA-N 1 0 357.432 1.610 10 5 FDBERO CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000176980711 174097986 /nfs/dbraw/zinc/09/79/86/174097986.db2.gz DFEBVYPWZSCBEC-ZDUSSCGKSA-N 1 0 369.443 1.555 10 5 FDBERO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181548146 174232626 /nfs/dbraw/zinc/23/26/26/174232626.db2.gz DSJJUXUMERSLMD-NVXWUHKLSA-N 1 0 362.430 1.763 10 5 FDBERO CC[C@@H]([NH2+]CC(=O)NC1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181563838 174233005 /nfs/dbraw/zinc/23/30/05/174233005.db2.gz MELKBPVCJFNRNK-QGZVFWFLSA-N 1 0 362.430 1.763 10 5 FDBERO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178672285 258332137 /nfs/dbraw/zinc/33/21/37/258332137.db2.gz DHGGSAGYSOQPDG-BLLLJJGKSA-N 1 0 362.430 1.761 10 5 FDBERO CNC(=O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301342636 259025947 /nfs/dbraw/zinc/02/59/47/259025947.db2.gz FRFLFZXJEBYXNI-UHFFFAOYSA-N 1 0 355.826 1.537 10 5 FDBERO Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000158924123 524552973 /nfs/dbraw/zinc/55/29/73/524552973.db2.gz UMGMKYOKYRUYIF-ZDUSSCGKSA-N 1 0 357.432 1.028 10 5 FDBERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159858303 524756347 /nfs/dbraw/zinc/75/63/47/524756347.db2.gz WMCCVZYXQRZOMA-ZDUSSCGKSA-N 1 0 366.418 1.746 10 5 FDBERO Cn1cc(CN2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000152365935 524860749 /nfs/dbraw/zinc/86/07/49/524860749.db2.gz OCBXWFIMDXPKHD-UHFFFAOYSA-N 1 0 371.441 1.995 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000124921058 525105543 /nfs/dbraw/zinc/10/55/43/525105543.db2.gz DUMNYRYNZWQOSQ-JTQLQIEISA-N 1 0 357.794 1.802 10 5 FDBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177443016 525291754 /nfs/dbraw/zinc/29/17/54/525291754.db2.gz FQVOXOIABOLHEA-ZDUSSCGKSA-N 1 0 367.450 1.041 10 5 FDBERO CC[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000177784910 525347292 /nfs/dbraw/zinc/34/72/92/525347292.db2.gz MOVDKPVHBRMKEB-HOCLYGCPSA-N 1 0 362.430 1.572 10 5 FDBERO COCC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000106110259 525601293 /nfs/dbraw/zinc/60/12/93/525601293.db2.gz CQOJZKPUXTWCOJ-CQSZACIVSA-N 1 0 350.419 1.576 10 5 FDBERO COc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])cc1O ZINC000109070789 526070255 /nfs/dbraw/zinc/07/02/55/526070255.db2.gz YVHDFTOMMWOCAL-ZDUSSCGKSA-N 1 0 359.386 1.858 10 5 FDBERO COC[C@@H]([NH3+])C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000263262451 537003679 /nfs/dbraw/zinc/00/36/79/537003679.db2.gz TUJMWVYYIYAHAA-OLZOCXBDSA-N 1 0 353.375 1.068 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247539154 537130791 /nfs/dbraw/zinc/13/07/91/537130791.db2.gz CVETZHAXOHCMSV-IHRRRGAJSA-N 1 0 350.419 1.309 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000247600462 537140146 /nfs/dbraw/zinc/14/01/46/537140146.db2.gz KXKDUVKJSOQRCD-GDBMZVCRSA-N 1 0 361.402 1.338 10 5 FDBERO O=[N+]([O-])c1cc(Br)ccc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261711160 672656539 /nfs/dbraw/zinc/65/65/39/672656539.db2.gz PEGYJYLLVJCBRT-LBPRGKRZSA-N 1 0 355.236 1.841 10 5 FDBERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261844694 672682027 /nfs/dbraw/zinc/68/20/27/672682027.db2.gz WSLDTLNWDRRZCJ-SSDOTTSWSA-N 1 0 352.210 1.244 10 5 FDBERO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195320326 178257984 /nfs/dbraw/zinc/25/79/84/178257984.db2.gz GEFKECIBFHDVKV-CQSZACIVSA-N 1 0 374.397 1.590 10 5 FDBERO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261735970 178610566 /nfs/dbraw/zinc/61/05/66/178610566.db2.gz SIEOYPGDWHPIEU-YPMHNXCESA-N 1 0 354.432 1.033 10 5 FDBERO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181561748 174232197 /nfs/dbraw/zinc/23/21/97/174232197.db2.gz MAFNFWUIFCAUAT-MLGOLLRUSA-N 1 0 362.430 1.748 10 5 FDBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000112551132 524506874 /nfs/dbraw/zinc/50/68/74/524506874.db2.gz WECUVYCFQNOGPC-OLZOCXBDSA-N 1 0 372.429 1.989 10 5 FDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158976180 524565225 /nfs/dbraw/zinc/56/52/25/524565225.db2.gz NVEGFWVPNYAMRS-OAHLLOKOSA-N 1 0 371.459 1.282 10 5 FDBERO CCc1nn(C)c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000092828344 524921126 /nfs/dbraw/zinc/92/11/26/524921126.db2.gz QDLJOSFUIIXNSB-HNNXBMFYSA-N 1 0 359.430 1.722 10 5 FDBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786380 525217495 /nfs/dbraw/zinc/21/74/95/525217495.db2.gz ZOTISWTVPTYVOY-GXTWGEPZSA-N 1 0 353.444 1.864 10 5 FDBERO CC[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C[C@@H](C)O ZINC000106104278 525591086 /nfs/dbraw/zinc/59/10/86/525591086.db2.gz UTMVWMURSPAEKM-CJNGLKHVSA-N 1 0 365.430 1.738 10 5 FDBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C[C@@H](C)O ZINC000106104276 525592626 /nfs/dbraw/zinc/59/26/26/525592626.db2.gz UTMVWMURSPAEKM-CZUORRHYSA-N 1 0 365.430 1.738 10 5 FDBERO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000130585837 525772725 /nfs/dbraw/zinc/77/27/25/525772725.db2.gz GMXVWLTUJONGRI-ZIAGYGMSSA-N 1 0 365.430 1.971 10 5 FDBERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000155345813 525834993 /nfs/dbraw/zinc/83/49/93/525834993.db2.gz IXNCRILDPURDPB-GFCCVEGCSA-N 1 0 356.810 1.449 10 5 FDBERO C[NH+](C)C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000181693705 525893917 /nfs/dbraw/zinc/89/39/17/525893917.db2.gz MUDVERUFABODDD-ZDUSSCGKSA-N 1 0 354.382 1.325 10 5 FDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183622503 536016888 /nfs/dbraw/zinc/01/68/88/536016888.db2.gz KAUNWIFNVCCSHG-GFCCVEGCSA-N 1 0 351.407 1.546 10 5 FDBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247815014 537152280 /nfs/dbraw/zinc/15/22/80/537152280.db2.gz VYSHQWCAWMGQGT-HZSPNIEDSA-N 1 0 350.419 1.309 10 5 FDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247871783 537154327 /nfs/dbraw/zinc/15/43/27/537154327.db2.gz XSCWABOXXPBWPD-LSDHHAIUSA-N 1 0 364.446 1.619 10 5 FDBERO Cc1cc(C)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000191981645 537216544 /nfs/dbraw/zinc/21/65/44/537216544.db2.gz LADZVTRMNFEBTK-AWEZNQCLSA-N 1 0 371.459 1.337 10 5 FDBERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194150431 537259521 /nfs/dbraw/zinc/25/95/21/537259521.db2.gz HDGWKXPFVNMLJB-JTQLQIEISA-N 1 0 354.794 1.787 10 5 FDBERO COc1cc([C@H](C2CCOCC2)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000575267426 550450153 /nfs/dbraw/zinc/45/01/53/550450153.db2.gz JYSYTAVBQQAEFX-SFHVURJKSA-N 1 0 365.430 1.985 10 5 FDBERO CC[NH2+]CC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000262301145 672764920 /nfs/dbraw/zinc/76/49/20/672764920.db2.gz XNJZRCCPZABSNU-UHFFFAOYSA-N 1 0 370.475 1.671 10 5 FDBERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193245033 178153831 /nfs/dbraw/zinc/15/38/31/178153831.db2.gz IDULIVZFPOEISK-NSHDSACASA-N 1 0 350.400 1.645 10 5 FDBERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000237997764 178343136 /nfs/dbraw/zinc/34/31/36/178343136.db2.gz BQLSUIUIIZRVGG-SRVKXCTJSA-N 1 0 366.443 1.505 10 5 FDBERO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262003932 178655489 /nfs/dbraw/zinc/65/54/89/178655489.db2.gz BHNNACZQVCHBNH-SWLSCSKDSA-N 1 0 363.414 1.949 10 5 FDBERO CNC(=O)c1ccc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000110561013 172524058 /nfs/dbraw/zinc/52/40/58/172524058.db2.gz DEWXELWAPFEUGA-ZDUSSCGKSA-N 1 0 364.446 1.483 10 5 FDBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112550941 172581914 /nfs/dbraw/zinc/58/19/14/172581914.db2.gz UBCKUQMIZTXJTR-WCQYABFASA-N 1 0 358.402 1.680 10 5 FDBERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000128513801 173112558 /nfs/dbraw/zinc/11/25/58/173112558.db2.gz JRTLSHMCSUGIDU-SMDDNHRTSA-N 1 0 350.375 1.520 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150822122 173382792 /nfs/dbraw/zinc/38/27/92/173382792.db2.gz XJADQDYXZMKNAN-CHWSQXEVSA-N 1 0 369.443 1.851 10 5 FDBERO CC[C@@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176163721 174056058 /nfs/dbraw/zinc/05/60/58/174056058.db2.gz SRONHUPGUWJJTK-RHSMWYFYSA-N 1 0 363.462 1.981 10 5 FDBERO COc1ccc(OCCN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173676381 258307288 /nfs/dbraw/zinc/30/72/88/258307288.db2.gz DQYAYUPWYRGVAK-ZIAGYGMSSA-N 1 0 353.419 1.369 10 5 FDBERO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC[C@@H](C)[NH3+] ZINC000178674472 258332079 /nfs/dbraw/zinc/33/20/79/258332079.db2.gz HHUYBJQLXKQGPD-QMTHXVAHSA-N 1 0 370.837 1.856 10 5 FDBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112550816 524504471 /nfs/dbraw/zinc/50/44/71/524504471.db2.gz CILNQSCVPSJGKA-YPMHNXCESA-N 1 0 358.402 1.680 10 5 FDBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112550964 524506445 /nfs/dbraw/zinc/50/64/45/524506445.db2.gz ZUIOZGLZDAUHCC-VXGBXAGGSA-N 1 0 358.402 1.680 10 5 FDBERO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000113305801 524669242 /nfs/dbraw/zinc/66/92/42/524669242.db2.gz UUPKRELOVPRCQZ-VXGBXAGGSA-N 1 0 355.416 1.461 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113445118 524687931 /nfs/dbraw/zinc/68/79/31/524687931.db2.gz HZHHFSLICQAFIX-DGCLKSJQSA-N 1 0 356.382 1.745 10 5 FDBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000160452186 524893883 /nfs/dbraw/zinc/89/38/83/524893883.db2.gz XLKCMOJCRPRIMR-CYBMUJFWSA-N 1 0 359.386 1.183 10 5 FDBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177443002 525292097 /nfs/dbraw/zinc/29/20/97/525292097.db2.gz FQVOXOIABOLHEA-CYBMUJFWSA-N 1 0 367.450 1.041 10 5 FDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163940260 525463042 /nfs/dbraw/zinc/46/30/42/525463042.db2.gz CJKZDFABEVLFEW-HIFRSBDPSA-N 1 0 355.460 1.785 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118858985 525568253 /nfs/dbraw/zinc/56/82/53/525568253.db2.gz NQSYAYJZKOOYDG-CZUORRHYSA-N 1 0 350.419 1.310 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000118859346 525568729 /nfs/dbraw/zinc/56/87/29/525568729.db2.gz KPHPHHKFHCZCFQ-ZDUSSCGKSA-N 1 0 370.837 1.575 10 5 FDBERO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000106176720 525654833 /nfs/dbraw/zinc/65/48/33/525654833.db2.gz JJVGWPKTCVCDSM-AWEZNQCLSA-N 1 0 358.402 1.927 10 5 FDBERO Cc1c(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000155330729 525828043 /nfs/dbraw/zinc/82/80/43/525828043.db2.gz IHIFSZPYSPAHKG-UONOGXRCSA-N 1 0 350.419 1.493 10 5 FDBERO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000246356783 536934965 /nfs/dbraw/zinc/93/49/65/536934965.db2.gz GJTJNNIOVLJXLK-RHSMWYFYSA-N 1 0 365.430 1.635 10 5 FDBERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000263290175 537009953 /nfs/dbraw/zinc/00/99/53/537009953.db2.gz VOZPOYQZZRTGHI-AWEZNQCLSA-N 1 0 355.358 1.407 10 5 FDBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000247463988 537121665 /nfs/dbraw/zinc/12/16/65/537121665.db2.gz IPPYYUCMUXDDIP-NXHRZFHOSA-N 1 0 360.414 1.740 10 5 FDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190102233 537140337 /nfs/dbraw/zinc/14/03/37/537140337.db2.gz KIWNHKXLOORENW-CMPLNLGQSA-N 1 0 366.805 1.882 10 5 FDBERO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000122417520 671716606 /nfs/dbraw/zinc/71/66/06/671716606.db2.gz LSYMIZYOGIANPO-VIFPVBQESA-N 1 0 364.221 1.469 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246158148 672499980 /nfs/dbraw/zinc/49/99/80/672499980.db2.gz LIJPTOYNPLHSJL-JTQLQIEISA-N 1 0 350.331 1.574 10 5 FDBERO O=C(NC[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000262173592 672740820 /nfs/dbraw/zinc/74/08/20/672740820.db2.gz IBAHDDUKXPIUBM-YPMHNXCESA-N 1 0 367.837 1.728 10 5 FDBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261600659 178593185 /nfs/dbraw/zinc/59/31/85/178593185.db2.gz BBMVJSRUFZOYBN-VXGBXAGGSA-N 1 0 356.448 1.409 10 5 FDBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000136813290 173364969 /nfs/dbraw/zinc/36/49/69/173364969.db2.gz MMVJWUIVGQDSME-ZBEGNZNMSA-N 1 0 365.411 1.626 10 5 FDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000136967370 173366911 /nfs/dbraw/zinc/36/69/11/173366911.db2.gz ZRUOEBRGSLDIOK-LBPRGKRZSA-N 1 0 353.394 1.899 10 5 FDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000176884173 174091959 /nfs/dbraw/zinc/09/19/59/174091959.db2.gz NOXMAMRCSFUGRV-CQSZACIVSA-N 1 0 365.430 1.525 10 5 FDBERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000052592796 523213392 /nfs/dbraw/zinc/21/33/92/523213392.db2.gz PIQAEAAQYLDIQE-HNNXBMFYSA-N 1 0 361.446 1.911 10 5 FDBERO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000112556622 524509223 /nfs/dbraw/zinc/50/92/23/524509223.db2.gz GCRYYXVPNOPYIR-LBPRGKRZSA-N 1 0 350.419 1.223 10 5 FDBERO CC[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174642284 524670436 /nfs/dbraw/zinc/67/04/36/524670436.db2.gz URGVESUMYACBJH-HUUCEWRRSA-N 1 0 364.446 1.700 10 5 FDBERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000119820295 525875950 /nfs/dbraw/zinc/87/59/50/525875950.db2.gz FXBTZIPMUNVYIN-INIZCTEOSA-N 1 0 373.384 1.883 10 5 FDBERO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000182860980 535877203 /nfs/dbraw/zinc/87/72/03/535877203.db2.gz MWHLNAQNPHGMGB-GFCCVEGCSA-N 1 0 365.411 1.972 10 5 FDBERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246583762 536985801 /nfs/dbraw/zinc/98/58/01/536985801.db2.gz WFVRIAQMBHPLRX-WMLDXEAASA-N 1 0 362.430 1.576 10 5 FDBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263183995 536988752 /nfs/dbraw/zinc/98/87/52/536988752.db2.gz HAIRYTGCNYPQIP-QWRGUYRKSA-N 1 0 364.410 1.159 10 5 FDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246811871 537031990 /nfs/dbraw/zinc/03/19/90/537031990.db2.gz BTTMDDVUYSTDPG-WCQYABFASA-N 1 0 357.432 1.610 10 5 FDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246986013 537063119 /nfs/dbraw/zinc/06/31/19/537063119.db2.gz MWUJPSIUMFJDSB-DGCLKSJQSA-N 1 0 357.432 1.610 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000247002242 537067254 /nfs/dbraw/zinc/06/72/54/537067254.db2.gz NXRMFZZEBDUJNG-STQMWFEESA-N 1 0 369.443 1.851 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000247204727 537094213 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FDBERO NS(=O)(=O)c1ccc(N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000261795150 672673232 /nfs/dbraw/zinc/67/32/32/672673232.db2.gz ZICMMTNNVQQRHN-UHFFFAOYSA-N 1 0 354.432 1.211 10 5 FDBERO C[NH2+][C@H](C)CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000261840964 672681631 /nfs/dbraw/zinc/68/16/31/672681631.db2.gz WFAWEQDIHRZTEF-YGRLFVJLSA-N 1 0 370.837 1.727 10 5 FDBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000190659503 178015343 /nfs/dbraw/zinc/01/53/43/178015343.db2.gz LAGJCTUEYHVDGP-AWEZNQCLSA-N 1 0 371.397 1.685 10 5 FDBERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000193411095 178162510 /nfs/dbraw/zinc/16/25/10/178162510.db2.gz ACALAVFHLHHYDJ-MRXNPFEDSA-N 1 0 363.462 1.408 10 5 FDBERO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000237561905 178319734 /nfs/dbraw/zinc/31/97/34/178319734.db2.gz WOCVZWKJDGMFRZ-CQSZACIVSA-N 1 0 359.430 1.806 10 5 FDBERO 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248460148 258399959 /nfs/dbraw/zinc/39/99/59/258399959.db2.gz ODLYVHODSXCMSI-HOCLYGCPSA-N 1 0 367.471 1.927 10 5 FDBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067270087 523371927 /nfs/dbraw/zinc/37/19/27/523371927.db2.gz KZVAPINWAAPRHJ-CYBMUJFWSA-N 1 0 360.418 1.882 10 5 FDBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000054647047 523672064 /nfs/dbraw/zinc/67/20/64/523672064.db2.gz IATRQONWCOPCBP-INIZCTEOSA-N 1 0 350.419 1.283 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106183837 525658469 /nfs/dbraw/zinc/65/84/69/525658469.db2.gz KSOZOWBMEZKSOZ-QGZVFWFLSA-N 1 0 360.414 1.943 10 5 FDBERO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109293222 526103161 /nfs/dbraw/zinc/10/31/61/526103161.db2.gz UBHVLKJZZPKBFT-UHFFFAOYSA-N 1 0 372.429 1.610 10 5 FDBERO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000246823457 537034560 /nfs/dbraw/zinc/03/45/60/537034560.db2.gz CJESNVDHKDLLDW-LSDHHAIUSA-N 1 0 362.430 1.637 10 5 FDBERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000247872486 537155413 /nfs/dbraw/zinc/15/54/13/537155413.db2.gz XVSTWMIIEGHHSG-OFQRWUPVSA-N 1 0 364.446 1.699 10 5 FDBERO CNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261723521 672658924 /nfs/dbraw/zinc/65/89/24/672658924.db2.gz QXYYOEANIUAVKM-WCFLWFBJSA-N 1 0 354.432 1.067 10 5 FDBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000262086973 672723837 /nfs/dbraw/zinc/72/38/37/672723837.db2.gz HPVMCIZGALFAOQ-JTQLQIEISA-N 1 0 371.235 1.649 10 5 FDBERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000702850440 884265632 /nfs/dbraw/zinc/26/56/32/884265632.db2.gz JHVRCDZXQWUWTA-HIFRSBDPSA-N 1 0 351.403 1.912 10 5 FDBERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000702851028 884267629 /nfs/dbraw/zinc/26/76/29/884267629.db2.gz LSVAOGJACWWFST-ZFWWWQNUSA-N 1 0 351.403 1.912 10 5 FDBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000190450990 178002652 /nfs/dbraw/zinc/00/26/52/178002652.db2.gz HUYDZNRLZMWNGF-CQSZACIVSA-N 1 0 370.413 1.442 10 5 FDBERO CC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000262037255 178661527 /nfs/dbraw/zinc/66/15/27/178661527.db2.gz YDPFJDCPROAVGS-IXDOHACOSA-N 1 0 357.414 1.899 10 5 FDBERO CN(c1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040661244 208261850 /nfs/dbraw/zinc/26/18/50/208261850.db2.gz AGXXBRGVDUZUBI-UHFFFAOYSA-N 1 0 368.401 1.649 10 5 FDBERO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181561717 174232321 /nfs/dbraw/zinc/23/23/21/174232321.db2.gz MAFNFWUIFCAUAT-BLLLJJGKSA-N 1 0 362.430 1.748 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000174093381 258318509 /nfs/dbraw/zinc/31/85/09/258318509.db2.gz UWDRTGRIGGQXPH-AWEZNQCLSA-N 1 0 353.419 1.371 10 5 FDBERO O=c1c([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000301721814 259032398 /nfs/dbraw/zinc/03/23/98/259032398.db2.gz NDBRUCBFNJBSEX-CYBMUJFWSA-N 1 0 359.386 1.268 10 5 FDBERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112548352 524502333 /nfs/dbraw/zinc/50/23/33/524502333.db2.gz DVPFKYJOWARGGX-CMPLNLGQSA-N 1 0 356.810 1.495 10 5 FDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158958286 524563002 /nfs/dbraw/zinc/56/30/02/524563002.db2.gz QOFRALJYOIWVEU-CYBMUJFWSA-N 1 0 357.432 1.028 10 5 FDBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000176982929 525211142 /nfs/dbraw/zinc/21/11/42/525211142.db2.gz UPKBRICZYBLHON-HNNXBMFYSA-N 1 0 358.402 1.732 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000118859347 525567171 /nfs/dbraw/zinc/56/71/71/525567171.db2.gz KPHPHHKFHCZCFQ-CYBMUJFWSA-N 1 0 370.837 1.575 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000106100807 525583210 /nfs/dbraw/zinc/58/32/10/525583210.db2.gz SHKRDQSPRCSNNC-CHWSQXEVSA-N 1 0 351.403 1.348 10 5 FDBERO CC[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000106104027 525588632 /nfs/dbraw/zinc/58/86/32/525588632.db2.gz CYWWOWBELVJVAC-CABCVRRESA-N 1 0 364.446 1.619 10 5 FDBERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000155360614 525839533 /nfs/dbraw/zinc/83/95/33/525839533.db2.gz SMLJRSRWIBVWIF-GFCCVEGCSA-N 1 0 356.810 1.449 10 5 FDBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000182187370 526087614 /nfs/dbraw/zinc/08/76/14/526087614.db2.gz TWJSSPTVFWPZRO-GFCCVEGCSA-N 1 0 365.411 1.511 10 5 FDBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000182244351 526109165 /nfs/dbraw/zinc/10/91/65/526109165.db2.gz DOOWARYKAJTCOU-LSDHHAIUSA-N 1 0 361.402 1.338 10 5 FDBERO COc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000120616517 526130272 /nfs/dbraw/zinc/13/02/72/526130272.db2.gz GHYKQXUDMFSXFS-CHWSQXEVSA-N 1 0 353.419 1.499 10 5 FDBERO Cc1cc(C(=O)NCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000183892387 536063171 /nfs/dbraw/zinc/06/31/71/536063171.db2.gz SGIBDABDTRNEJG-ZFWWWQNUSA-N 1 0 362.430 1.478 10 5 FDBERO Cc1ccc(N2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000246217409 536902287 /nfs/dbraw/zinc/90/22/87/536902287.db2.gz DAQGPVJHQVIUPI-QGZVFWFLSA-N 1 0 357.414 1.939 10 5 FDBERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000263135366 536980104 /nfs/dbraw/zinc/98/01/04/536980104.db2.gz CAEKRQIXOCJZGC-CQSZACIVSA-N 1 0 355.358 1.407 10 5 FDBERO Cc1c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000263220920 536994347 /nfs/dbraw/zinc/99/43/47/536994347.db2.gz LUMXAQXDJAWSHD-ZDUSSCGKSA-N 1 0 370.373 1.110 10 5 FDBERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000263225269 536994979 /nfs/dbraw/zinc/99/49/79/536994979.db2.gz MRTVLBJBGIIRPX-CQSZACIVSA-N 1 0 355.358 1.407 10 5 FDBERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000246743189 537016979 /nfs/dbraw/zinc/01/69/79/537016979.db2.gz WWPOMBWKFVXAQG-SFHVURJKSA-N 1 0 373.457 1.023 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000246801768 537030461 /nfs/dbraw/zinc/03/04/61/537030461.db2.gz BDEFDHRLDZDNIB-JSGCOSHPSA-N 1 0 369.443 1.851 10 5 FDBERO COc1cc(OCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247398812 537116087 /nfs/dbraw/zinc/11/60/87/537116087.db2.gz QXRGMJPMGNYOCK-TZMCWYRMSA-N 1 0 351.403 1.827 10 5 FDBERO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000189943860 537118078 /nfs/dbraw/zinc/11/80/78/537118078.db2.gz VHQYGUPWFRKXCZ-LLVKDONJSA-N 1 0 372.403 1.444 10 5 FDBERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261688112 672651500 /nfs/dbraw/zinc/65/15/00/672651500.db2.gz IFHQRQHVXWRKLC-SSDOTTSWSA-N 1 0 352.210 1.244 10 5 FDBERO CC1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2[N+](=O)[O-])CC1 ZINC000262359230 178724942 /nfs/dbraw/zinc/72/49/42/178724942.db2.gz VAKJZJSJLWVHCF-WMLDXEAASA-N 1 0 362.430 1.141 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000172819522 258285678 /nfs/dbraw/zinc/28/56/78/258285678.db2.gz ZTQJIANRNABRHV-HNNXBMFYSA-N 1 0 364.446 1.626 10 5 FDBERO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000067149695 172006599 /nfs/dbraw/zinc/00/65/99/172006599.db2.gz POKXIKGOCUWKMA-UHFFFAOYSA-N 1 0 356.386 1.486 10 5 FDBERO Cn1cc(CN2CCO[C@H](C[NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000128116036 173100480 /nfs/dbraw/zinc/10/04/80/173100480.db2.gz DQMCCVSUFQESJY-QGZVFWFLSA-N 1 0 359.430 1.758 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000130763941 173179899 /nfs/dbraw/zinc/17/98/99/173179899.db2.gz JJTVZJZXHFCLTP-CQSZACIVSA-N 1 0 351.403 1.583 10 5 FDBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000173994551 258316707 /nfs/dbraw/zinc/31/67/07/258316707.db2.gz JYZMZHOJKJPPPE-HNNXBMFYSA-N 1 0 359.386 1.551 10 5 FDBERO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000193899612 258393772 /nfs/dbraw/zinc/39/37/72/258393772.db2.gz CZLGAMIPDXSDCA-OCCSQVGLSA-N 1 0 352.391 1.780 10 5 FDBERO CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000245698687 258396257 /nfs/dbraw/zinc/39/62/57/258396257.db2.gz CRVCXLRCYBJKER-DZGCQCFKSA-N 1 0 367.446 1.889 10 5 FDBERO Cc1cc(N2CC[NH+](CCCO)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301278986 259024834 /nfs/dbraw/zinc/02/48/34/259024834.db2.gz ZMAFPUIZODCMKZ-UHFFFAOYSA-N 1 0 357.414 1.865 10 5 FDBERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301260139 259024853 /nfs/dbraw/zinc/02/48/53/259024853.db2.gz UVDYZUGEZZHBPH-ZDUSSCGKSA-N 1 0 357.414 1.947 10 5 FDBERO C[C@@H]1C[C@@H]1Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000075721680 522963896 /nfs/dbraw/zinc/96/38/96/522963896.db2.gz PVBZAFJZDCRICX-RISCZKNCSA-N 1 0 356.448 1.645 10 5 FDBERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112548353 524502195 /nfs/dbraw/zinc/50/21/95/524502195.db2.gz DVPFKYJOWARGGX-ZYHUDNBSSA-N 1 0 356.810 1.495 10 5 FDBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000112550448 524505196 /nfs/dbraw/zinc/50/51/96/524505196.db2.gz YDVLAJGVOLQDEB-QWRGUYRKSA-N 1 0 360.374 1.127 10 5 FDBERO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174621116 524657552 /nfs/dbraw/zinc/65/75/52/524657552.db2.gz MCRCPDBZHPDHLF-KGLIPLIRSA-N 1 0 364.446 1.578 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCO1 ZINC000116788181 525218865 /nfs/dbraw/zinc/21/88/65/525218865.db2.gz OLLGJRJJZYVJCI-HNNXBMFYSA-N 1 0 362.430 1.598 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000116790967 525219240 /nfs/dbraw/zinc/21/92/40/525219240.db2.gz KCAYYCVPZPRFQH-ZDUSSCGKSA-N 1 0 371.821 1.806 10 5 FDBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000116901135 525250160 /nfs/dbraw/zinc/25/01/60/525250160.db2.gz QQZGJPSWSISZAH-JTQLQIEISA-N 1 0 363.823 1.199 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000106101224 525586380 /nfs/dbraw/zinc/58/63/80/525586380.db2.gz RCHBGGXQSDIMAA-NWDGAFQWSA-N 1 0 370.837 1.574 10 5 FDBERO CC[C@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1CCOC ZINC000106115749 525610535 /nfs/dbraw/zinc/61/05/35/525610535.db2.gz CDQYXPUJKZCNOX-HNNXBMFYSA-N 1 0 364.446 1.884 10 5 FDBERO CN(C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000106173914 525653202 /nfs/dbraw/zinc/65/32/02/525653202.db2.gz RTHIDUOUAXSGEG-CQSZACIVSA-N 1 0 358.402 1.561 10 5 FDBERO Cc1c(CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000119218009 525674271 /nfs/dbraw/zinc/67/42/71/525674271.db2.gz USCXPKHALZTFHX-AWEZNQCLSA-N 1 0 363.458 1.997 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182246213 526110973 /nfs/dbraw/zinc/11/09/73/526110973.db2.gz IBQRDFBJXKTTBC-UKRRQHHQSA-N 1 0 353.444 1.537 10 5 FDBERO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000120681067 526148291 /nfs/dbraw/zinc/14/82/91/526148291.db2.gz YOJAWHLWEOJGBS-CYBMUJFWSA-N 1 0 357.432 1.163 10 5 FDBERO CC[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246716968 537010468 /nfs/dbraw/zinc/01/04/68/537010468.db2.gz DFXJSUAHSFTYPE-UONOGXRCSA-N 1 0 351.403 1.277 10 5 FDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000247356519 537112495 /nfs/dbraw/zinc/11/24/95/537112495.db2.gz OHFXNMGZAKHJMM-WCQYABFASA-N 1 0 362.386 1.348 10 5 FDBERO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247579647 537137089 /nfs/dbraw/zinc/13/70/89/537137089.db2.gz IGPAVZWCPNBYRP-YDHLFZDLSA-N 1 0 364.446 1.617 10 5 FDBERO Cc1c(NC(=O)CCN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000252352462 537249409 /nfs/dbraw/zinc/24/94/09/537249409.db2.gz BZKPEOPWFFXGGW-KGLIPLIRSA-N 1 0 364.446 1.619 10 5 FDBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000262009073 672711382 /nfs/dbraw/zinc/71/13/82/672711382.db2.gz WELHTVSIBODGMA-JTQLQIEISA-N 1 0 371.235 1.649 10 5 FDBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261688117 178603776 /nfs/dbraw/zinc/60/37/76/178603776.db2.gz IFHQRQHVXWRKLC-ZETCQYMHSA-N 1 0 352.210 1.244 10 5 FDBERO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000261792946 178621501 /nfs/dbraw/zinc/62/15/01/178621501.db2.gz NQCGCBJCAFUJFA-IAQYHMDHSA-N 1 0 350.419 1.990 10 5 FDBERO 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FAUNTLAMITYJAZ-AWEZNQCLSA-N 1 0 374.401 1.861 10 5 FDBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000109132815 526079716 /nfs/dbraw/zinc/07/97/16/526079716.db2.gz BZLSNQPKTVRJSZ-DOMZBBRYSA-N 1 0 370.413 1.459 10 5 FDBERO Cc1cc(C(=O)NCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000183607388 536013558 /nfs/dbraw/zinc/01/35/58/536013558.db2.gz BXEJJTNORAMEHD-DZGCQCFKSA-N 1 0 360.414 1.328 10 5 FDBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000188371007 536291468 /nfs/dbraw/zinc/29/14/68/536291468.db2.gz CYFYVZAJMDAVMK-INIZCTEOSA-N 1 0 370.409 1.326 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000246581911 536985501 /nfs/dbraw/zinc/98/55/01/536985501.db2.gz ADLFBAGFKIOURD-GJZGRUSLSA-N 1 0 364.446 1.700 10 5 FDBERO CC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246809722 537032242 /nfs/dbraw/zinc/03/22/42/537032242.db2.gz KMIVHNVXXJKVSY-JSGCOSHPSA-N 1 0 351.403 1.521 10 5 FDBERO CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246931481 537052807 /nfs/dbraw/zinc/05/28/07/537052807.db2.gz RJDQEQVFURMOKN-KBPBESRZSA-N 1 0 351.403 1.277 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000247473672 537122688 /nfs/dbraw/zinc/12/26/88/537122688.db2.gz RXAJSUWCZJNWFV-DOMZBBRYSA-N 1 0 356.386 1.484 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000247591076 537138817 /nfs/dbraw/zinc/13/88/17/537138817.db2.gz JQJVDYNPLKYYHO-STQMWFEESA-N 1 0 361.402 1.532 10 5 FDBERO O=[N+]([O-])c1cnc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000261771942 672669384 /nfs/dbraw/zinc/66/93/84/672669384.db2.gz WDAWAXDASAVMGZ-SNVBAGLBSA-N 1 0 356.224 1.236 10 5 FDBERO Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000191977490 178079670 /nfs/dbraw/zinc/07/96/70/178079670.db2.gz XCEQSHROFAZQSV-CYBMUJFWSA-N 1 0 357.432 1.163 10 5 FDBERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000193600520 178171389 /nfs/dbraw/zinc/17/13/89/178171389.db2.gz KGRQRJPXARGKQQ-TUAOUCFPSA-N 1 0 366.443 1.518 10 5 FDBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000262235416 178699326 /nfs/dbraw/zinc/69/93/26/178699326.db2.gz KMXPIKARBURZCH-GUYCJALGSA-N 1 0 356.382 1.649 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000172819640 258285766 /nfs/dbraw/zinc/28/57/66/258285766.db2.gz WXUSTCVKBJYKMD-OAHLLOKOSA-N 1 0 362.430 1.380 10 5 FDBERO COC(=O)C1CCN(c2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])CC1 ZINC000040586476 132946874 /nfs/dbraw/zinc/94/68/74/132946874.db2.gz WFIOPEBSVLNEBL-UHFFFAOYSA-N 1 0 358.358 1.913 10 5 FDBERO O=C(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128723943 173118294 /nfs/dbraw/zinc/11/82/94/173118294.db2.gz PYIUAIJLVXNMBU-AWEZNQCLSA-N 1 0 366.393 1.469 10 5 FDBERO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(CCn2cccn2)CC1 ZINC000131834732 173214567 /nfs/dbraw/zinc/21/45/67/173214567.db2.gz ZQZLPLWOPFZPCA-UHFFFAOYSA-N 1 0 374.445 1.049 10 5 FDBERO CC(=O)NC1CCC([NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132985430 173249936 /nfs/dbraw/zinc/24/99/36/173249936.db2.gz IKHKKUKKGFEKNC-YQEWQEHLSA-N 1 0 351.403 1.026 10 5 FDBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177681956 174150492 /nfs/dbraw/zinc/15/04/92/174150492.db2.gz NTILECJHYCHHEO-NSHDSACASA-N 1 0 352.778 1.493 10 5 FDBERO Cc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000178590505 258329231 /nfs/dbraw/zinc/32/92/31/258329231.db2.gz WAFAFADQNUYUGN-CYBMUJFWSA-N 1 0 357.432 1.028 10 5 FDBERO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301680713 259031538 /nfs/dbraw/zinc/03/15/38/259031538.db2.gz UYTUSIZXNNOBJR-CVEARBPZSA-N 1 0 355.398 1.879 10 5 FDBERO CC(C)C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301827092 259034429 /nfs/dbraw/zinc/03/44/29/259034429.db2.gz JKKVPZFMCFSTDJ-ZDUSSCGKSA-N 1 0 356.448 1.775 10 5 FDBERO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)nn21 ZINC000301974296 259036556 /nfs/dbraw/zinc/03/65/56/259036556.db2.gz VIKVDARUCNNIPX-UONOGXRCSA-N 1 0 360.418 1.817 10 5 FDBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158945289 524559938 /nfs/dbraw/zinc/55/99/38/524559938.db2.gz MGASLEYWGDAATR-AWEZNQCLSA-N 1 0 357.432 1.028 10 5 FDBERO CC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C[C@@H](C)O ZINC000174637735 524667957 /nfs/dbraw/zinc/66/79/57/524667957.db2.gz BOOKRIHUDUTRSX-CHWSQXEVSA-N 1 0 360.414 1.993 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123472137 524757338 /nfs/dbraw/zinc/75/73/38/524757338.db2.gz FIHMEYGKIJYWMO-GOSISDBHSA-N 1 0 373.457 1.884 10 5 FDBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160354083 524867443 /nfs/dbraw/zinc/86/74/43/524867443.db2.gz XAYMNMDBEVFMMP-MRXNPFEDSA-N 1 0 373.413 1.357 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152559328 524926106 /nfs/dbraw/zinc/92/61/06/524926106.db2.gz NOTJBNRRXTUWGP-QAPCUYQASA-N 1 0 359.382 1.883 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](C[NH+](C)C)C2)cc1Cl ZINC000124920781 525105931 /nfs/dbraw/zinc/10/59/31/525105931.db2.gz DUMNYRYNZWQOSQ-SNVBAGLBSA-N 1 0 357.794 1.802 10 5 FDBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176441417 525119623 /nfs/dbraw/zinc/11/96/23/525119623.db2.gz CIJGPLJVOHDTST-LBPRGKRZSA-N 1 0 350.419 1.463 10 5 FDBERO CC[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117306474 525314430 /nfs/dbraw/zinc/31/44/30/525314430.db2.gz ADVHBZDHBISGIN-OAHLLOKOSA-N 1 0 364.446 1.966 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118858226 525565303 /nfs/dbraw/zinc/56/53/03/525565303.db2.gz YJGMFQRWEXTHIQ-CYBMUJFWSA-N 1 0 370.837 1.575 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000118857221 525566122 /nfs/dbraw/zinc/56/61/22/525566122.db2.gz YFFOAYVOYPESFL-HNNXBMFYSA-N 1 0 361.402 1.533 10 5 FDBERO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCO1 ZINC000108951650 526048166 /nfs/dbraw/zinc/04/81/66/526048166.db2.gz DJKMRYGNRZYFTD-HNNXBMFYSA-N 1 0 362.430 1.598 10 5 FDBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000182232324 526104058 /nfs/dbraw/zinc/10/40/58/526104058.db2.gz DOKCNPICKWFMRK-OAHLLOKOSA-N 1 0 373.413 1.337 10 5 FDBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000182232345 526104157 /nfs/dbraw/zinc/10/41/57/526104157.db2.gz DOKCNPICKWFMRK-HNNXBMFYSA-N 1 0 373.413 1.337 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000246247593 536909865 /nfs/dbraw/zinc/90/98/65/536909865.db2.gz NOTJBNRRXTUWGP-CRAIPNDOSA-N 1 0 359.382 1.883 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246602532 536989603 /nfs/dbraw/zinc/98/96/03/536989603.db2.gz HIXGBIAGLCMMFA-ZBFHGGJFSA-N 1 0 353.444 1.983 10 5 FDBERO CC[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247003731 537067429 /nfs/dbraw/zinc/06/74/29/537067429.db2.gz VVBITJYLNBSBHE-UONOGXRCSA-N 1 0 350.419 1.310 10 5 FDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247810980 537151607 /nfs/dbraw/zinc/15/16/07/537151607.db2.gz UWBUEFVLIFFGSP-UONOGXRCSA-N 1 0 350.419 1.229 10 5 FDBERO Cc1cc(C(=O)NCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248408028 537178395 /nfs/dbraw/zinc/17/83/95/537178395.db2.gz BXEJJTNORAMEHD-UKRRQHHQSA-N 1 0 360.414 1.328 10 5 FDBERO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181531600 672197771 /nfs/dbraw/zinc/19/77/71/672197771.db2.gz YBAQGJAUQPIOKP-LNSITVRQSA-N 1 0 369.443 1.327 10 5 FDBERO CCOC(=O)c1cc(N2CC[N@H+](CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246115097 672492142 /nfs/dbraw/zinc/49/21/42/672492142.db2.gz QQZHYFPGOQQORC-ZDUSSCGKSA-N 1 0 351.403 1.928 10 5 FDBERO O=[N+]([O-])c1cnc(N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000261601845 672633366 /nfs/dbraw/zinc/63/33/66/672633366.db2.gz BWILFHZCLFETKR-JTQLQIEISA-N 1 0 356.224 1.236 10 5 FDBERO C[NH2+]CCC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000262206643 672746825 /nfs/dbraw/zinc/74/68/25/672746825.db2.gz LAZCVXQLUYAWDV-UHFFFAOYSA-N 1 0 370.475 1.671 10 5 FDBERO COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH3+])C2)cc1OC ZINC000262518223 672801913 /nfs/dbraw/zinc/80/19/13/672801913.db2.gz UKYGGVHVGDSMLZ-NSHDSACASA-N 1 0 353.375 1.192 10 5 FDBERO CCOC(=O)C1=C(C[N+]23CCN(CC2)CC3)NC(=O)N[C@H]1c1ccccc1 ZINC000030007822 717119359 /nfs/dbraw/zinc/11/93/59/717119359.db2.gz NBMAGOSGGBACSX-SFHVURJKSA-O 1 0 371.461 1.004 10 5 FDBERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000702854540 884270986 /nfs/dbraw/zinc/27/09/86/884270986.db2.gz XCBVPMFHTYCVDT-DZGCQCFKSA-N 1 0 351.403 1.912 10 5 FDBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000122827899 172914043 /nfs/dbraw/zinc/91/40/43/172914043.db2.gz ALXFVBHGPZYLPK-AWEZNQCLSA-N 1 0 373.413 1.357 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Cl ZINC000130263300 173165353 /nfs/dbraw/zinc/16/53/53/173165353.db2.gz MYIOWRUCGSJZSX-UONOGXRCSA-N 1 0 355.778 1.554 10 5 FDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183622491 177587177 /nfs/dbraw/zinc/58/71/77/177587177.db2.gz KAUNWIFNVCCSHG-LBPRGKRZSA-N 1 0 351.407 1.546 10 5 FDBERO CC[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174647048 524672642 /nfs/dbraw/zinc/67/26/42/524672642.db2.gz LOVIKCMANBAEDT-CABCVRRESA-N 1 0 364.446 1.335 10 5 FDBERO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153171754 525129193 /nfs/dbraw/zinc/12/91/93/525129193.db2.gz BMLUYVQSTBKMLI-UONOGXRCSA-N 1 0 353.350 1.430 10 5 FDBERO CCOCC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CC ZINC000116871376 525238259 /nfs/dbraw/zinc/23/82/59/525238259.db2.gz CYBSJPFUEWZJDY-CQSZACIVSA-N 1 0 350.419 1.631 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118858225 525566406 /nfs/dbraw/zinc/56/64/06/525566406.db2.gz YJGMFQRWEXTHIQ-ZDUSSCGKSA-N 1 0 370.837 1.575 10 5 FDBERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000155360711 525840094 /nfs/dbraw/zinc/84/00/94/525840094.db2.gz SMLJRSRWIBVWIF-LBPRGKRZSA-N 1 0 356.810 1.449 10 5 FDBERO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000183303956 535958255 /nfs/dbraw/zinc/95/82/55/535958255.db2.gz QXNHXQXVZHBACQ-OAHLLOKOSA-N 1 0 360.414 1.330 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247815017 537152721 /nfs/dbraw/zinc/15/27/21/537152721.db2.gz VYSHQWCAWMGQGT-RDBSUJKOSA-N 1 0 350.419 1.309 10 5 FDBERO CN(CCOCC[NH3+])c1ccc(I)cc1[N+](=O)[O-] ZINC000600956488 553331511 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FXWWSJQQSDVODX-SECBINFHSA-N 1 0 363.155 1.363 10 5 FDBERO CC[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181542211 174230861 /nfs/dbraw/zinc/23/08/61/174230861.db2.gz PNNAAOXBYNQXQK-KRWDZBQOSA-N 1 0 374.441 1.716 10 5 FDBERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000173522526 258301886 /nfs/dbraw/zinc/30/18/86/258301886.db2.gz OHQFLIBEJLETQR-ARFHVFGLSA-N 1 0 352.435 1.822 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1Cl ZINC000301716030 259032485 /nfs/dbraw/zinc/03/24/85/259032485.db2.gz MYIOWRUCGSJZSX-KGLIPLIRSA-N 1 0 355.778 1.554 10 5 FDBERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112550160 524504230 /nfs/dbraw/zinc/50/42/30/524504230.db2.gz DBWLVVBRHGJDKI-UWVGGRQHSA-N 1 0 364.793 1.771 10 5 FDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158959739 524562299 /nfs/dbraw/zinc/56/22/99/524562299.db2.gz MEVSJHHKLHALEF-CYBMUJFWSA-N 1 0 357.432 1.028 10 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COc1ccc(CSCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170866984 525743482 /nfs/dbraw/zinc/74/34/82/525743482.db2.gz GXBQMNRBXAXLSC-ZDUSSCGKSA-N 1 0 353.444 1.999 10 5 FDBERO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291616 526100653 /nfs/dbraw/zinc/10/06/53/526100653.db2.gz JNZRBGMKLBSEFM-UHFFFAOYSA-N 1 0 371.441 1.957 10 5 FDBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000185619303 536213792 /nfs/dbraw/zinc/21/37/92/536213792.db2.gz MSCHNAGNPBNOKI-GFCCVEGCSA-N 1 0 362.411 1.612 10 5 FDBERO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1N1CCOCC1 ZINC000246281753 536917114 /nfs/dbraw/zinc/91/71/14/536917114.db2.gz AKWXOAKGAOLPPC-CXAGYDPISA-N 1 0 363.414 1.614 10 5 FDBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263184000 536988732 /nfs/dbraw/zinc/98/87/32/536988732.db2.gz HAIRYTGCNYPQIP-WDEREUQCSA-N 1 0 364.410 1.159 10 5 FDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C 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HQGLJLCZNPCHAH-UHFFFAOYSA-N 1 0 369.443 1.852 10 5 FDBERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)no1 ZINC000171405822 173879938 /nfs/dbraw/zinc/87/99/38/173879938.db2.gz KBEDRMBXARXOAZ-GFCCVEGCSA-N 1 0 359.386 1.840 10 5 FDBERO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176233632 174059957 /nfs/dbraw/zinc/05/99/57/174059957.db2.gz HKYCTIMQAGWHRI-AWEZNQCLSA-N 1 0 365.459 1.858 10 5 FDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000176977318 174098191 /nfs/dbraw/zinc/09/81/91/174098191.db2.gz SCFXPAOXRWSALT-CQSZACIVSA-N 1 0 358.402 1.732 10 5 FDBERO O=c1c([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccccn21 ZINC000301280255 259025170 /nfs/dbraw/zinc/02/51/70/259025170.db2.gz NWARJKHAGUNLRM-CYBMUJFWSA-N 1 0 373.413 1.516 10 5 FDBERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112548358 524502236 /nfs/dbraw/zinc/50/22/36/524502236.db2.gz DVPFKYJOWARGGX-PWSUYJOCSA-N 1 0 356.810 1.495 10 5 FDBERO 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NXRMFZZEBDUJNG-OLZOCXBDSA-N 1 0 369.443 1.851 10 5 FDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247810978 537152019 /nfs/dbraw/zinc/15/20/19/537152019.db2.gz UWBUEFVLIFFGSP-KBPBESRZSA-N 1 0 350.419 1.229 10 5 FDBERO O=C(NC[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000262293564 672763535 /nfs/dbraw/zinc/76/35/35/672763535.db2.gz WJAGSNJADMONGE-TZMCWYRMSA-N 1 0 350.394 1.819 10 5 FDBERO CC(C)(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000261668660 178600606 /nfs/dbraw/zinc/60/06/06/178600606.db2.gz HJSRMBYISLALJO-ZBFHGGJFSA-N 1 0 357.414 1.727 10 5 FDBERO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000075610895 172093688 /nfs/dbraw/zinc/09/36/88/172093688.db2.gz SMOJHFGCAKSCPN-UHFFFAOYSA-N 1 0 370.413 1.876 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116788354 172678269 /nfs/dbraw/zinc/67/82/69/172678269.db2.gz VUGXLSOIHMOSGK-INIZCTEOSA-N 1 0 350.419 1.576 10 5 FDBERO Cc1c(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000121830283 172870753 /nfs/dbraw/zinc/87/07/53/172870753.db2.gz CHZVIEZAIFIICV-CYBMUJFWSA-N 1 0 350.419 1.934 10 5 FDBERO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000122443509 172900282 /nfs/dbraw/zinc/90/02/82/172900282.db2.gz RNXGGGAADSCFAI-VIFPVBQESA-N 1 0 364.221 1.469 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174291179 258322784 /nfs/dbraw/zinc/32/27/84/258322784.db2.gz NIVPSTAUUXXBFB-ZIAGYGMSSA-N 1 0 350.419 1.310 10 5 FDBERO COCC[NH2+]CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000215509926 258395264 /nfs/dbraw/zinc/39/52/64/258395264.db2.gz XZHSNUWNZBKLEG-UHFFFAOYSA-N 1 0 365.171 1.847 10 5 FDBERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247521920 258399191 /nfs/dbraw/zinc/39/91/91/258399191.db2.gz WUNZCPMWCGMHHU-MLGOLLRUSA-N 1 0 370.413 1.793 10 5 FDBERO Cc1cc(N2CC[NH+]([C@H](C)CO)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301264272 259024612 /nfs/dbraw/zinc/02/46/12/259024612.db2.gz VVUFQBSGBWBYAS-CQSZACIVSA-N 1 0 357.414 1.863 10 5 FDBERO C[NH+](C)Cc1ccc(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)nc1 ZINC000302050858 259037921 /nfs/dbraw/zinc/03/79/21/259037921.db2.gz OSFZITORCARCJC-UHFFFAOYSA-N 1 0 371.441 1.870 10 5 FDBERO CC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000172331258 524203564 /nfs/dbraw/zinc/20/35/64/524203564.db2.gz RPOPZTBSUZBMJR-OAHLLOKOSA-N 1 0 350.419 1.847 10 5 FDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000158940879 524558859 /nfs/dbraw/zinc/55/88/59/524558859.db2.gz ZBGIRAFRGVTVLC-AWEZNQCLSA-N 1 0 371.459 1.337 10 5 FDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000158940995 524559054 /nfs/dbraw/zinc/55/90/54/524559054.db2.gz ZBGIRAFRGVTVLC-CQSZACIVSA-N 1 0 371.459 1.337 10 5 FDBERO CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000174601867 524647050 /nfs/dbraw/zinc/64/70/50/524647050.db2.gz GRVNCCDQKDDPPW-IUODEOHRSA-N 1 0 367.450 1.102 10 5 FDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113306154 524670995 /nfs/dbraw/zinc/67/09/95/524670995.db2.gz DUQGVJWCDSLPHW-WCQYABFASA-N 1 0 355.416 1.461 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000123538918 524773961 /nfs/dbraw/zinc/77/39/61/524773961.db2.gz GAQRKAQDCQTDAP-CQSZACIVSA-N 1 0 353.419 1.501 10 5 FDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176972458 525208976 /nfs/dbraw/zinc/20/89/76/525208976.db2.gz QUNCLBGXDVDFGU-CYBMUJFWSA-N 1 0 358.398 1.993 10 5 FDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900762 525249197 /nfs/dbraw/zinc/24/91/97/525249197.db2.gz CDIRCRJOIWHEJR-AWEZNQCLSA-N 1 0 357.432 1.108 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181721777 525904699 /nfs/dbraw/zinc/90/46/99/525904699.db2.gz VKNWWDSLIHJRGK-AWEZNQCLSA-N 1 0 368.409 1.451 10 5 FDBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000182187347 526086826 /nfs/dbraw/zinc/08/68/26/526086826.db2.gz TWJSSPTVFWPZRO-LBPRGKRZSA-N 1 0 365.411 1.511 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000120573275 526111391 /nfs/dbraw/zinc/11/13/91/526111391.db2.gz DUKLVIVIRBAZBH-HUUCEWRRSA-N 1 0 373.457 1.882 10 5 FDBERO CC[NH+](CC)[C@@H](C)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183587158 536008637 /nfs/dbraw/zinc/00/86/37/536008637.db2.gz BGWBXXZIRDAJEV-ZDUSSCGKSA-N 1 0 350.419 1.480 10 5 FDBERO Cc1c(NC(=O)[C@@H](C)N2CCO[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000246288297 536918236 /nfs/dbraw/zinc/91/82/36/536918236.db2.gz IHIFSZPYSPAHKG-KGLIPLIRSA-N 1 0 350.419 1.493 10 5 FDBERO COC[C@@H]([NH3+])C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000263262448 537003893 /nfs/dbraw/zinc/00/38/93/537003893.db2.gz TUJMWVYYIYAHAA-CHWSQXEVSA-N 1 0 353.375 1.068 10 5 FDBERO CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246931506 537054121 /nfs/dbraw/zinc/05/41/21/537054121.db2.gz RJDQEQVFURMOKN-UONOGXRCSA-N 1 0 351.403 1.277 10 5 FDBERO Cc1ccc(C)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000189988457 537124818 /nfs/dbraw/zinc/12/48/18/537124818.db2.gz XJLXGDNUIKSJQT-AWEZNQCLSA-N 1 0 371.459 1.337 10 5 FDBERO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000247556696 537133515 /nfs/dbraw/zinc/13/35/15/537133515.db2.gz FOIBSHUGZIFZMR-HUUCEWRRSA-N 1 0 364.446 1.964 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000247591071 537138541 /nfs/dbraw/zinc/13/85/41/537138541.db2.gz JQJVDYNPLKYYHO-OLZOCXBDSA-N 1 0 361.402 1.532 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000247592560 537138633 /nfs/dbraw/zinc/13/86/33/537138633.db2.gz JUWGXYAIMJEAKI-OLZOCXBDSA-N 1 0 361.402 1.532 10 5 FDBERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248663279 537202852 /nfs/dbraw/zinc/20/28/52/537202852.db2.gz ZKUDRROWMCDWGY-SJLPKXTDSA-N 1 0 374.445 1.001 10 5 FDBERO C[C@@H]1C[C@H]2[C@@H](S1)N(O)[C@H]1CCCC[C@H]1[NH2+][C@H]2N1CC[N+](C)([O-])CC1 ZINC000575627289 550467626 /nfs/dbraw/zinc/46/76/26/550467626.db2.gz NMUJEYJKJPDVIW-ZBURPKILSA-N 1 0 357.544 1.537 10 5 FDBERO O=[N+]([O-])c1cncc(Br)c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261610884 672635045 /nfs/dbraw/zinc/63/50/45/672635045.db2.gz DWSDRGNNLKRIPV-JTQLQIEISA-N 1 0 356.224 1.236 10 5 FDBERO O=[N+]([O-])c1ccc(Br)cc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261779018 672670685 /nfs/dbraw/zinc/67/06/85/672670685.db2.gz WTDNLKBFUYEDQI-GFCCVEGCSA-N 1 0 355.236 1.841 10 5 FDBERO CCc1n[nH]c(C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000192761418 178131454 /nfs/dbraw/zinc/13/14/54/178131454.db2.gz QGULQZDXKFDXMQ-AWEZNQCLSA-N 1 0 373.413 1.029 10 5 FDBERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000195501911 178267350 /nfs/dbraw/zinc/26/73/50/178267350.db2.gz FYNVVBQENQKXGL-INIZCTEOSA-N 1 0 360.414 1.948 10 5 FDBERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000130947745 173185774 /nfs/dbraw/zinc/18/57/74/173185774.db2.gz VKVJFOJYHLJHFW-INIZCTEOSA-N 1 0 373.413 1.493 10 5 FDBERO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181561699 174232221 /nfs/dbraw/zinc/23/22/21/174232221.db2.gz MAFNFWUIFCAUAT-LRDDRELGSA-N 1 0 362.430 1.748 10 5 FDBERO O=C1CCCN1C[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242140 258322014 /nfs/dbraw/zinc/32/20/14/258322014.db2.gz ZHZVZMGJPJFMPV-OAHLLOKOSA-N 1 0 363.414 1.421 10 5 FDBERO C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261623829 258403889 /nfs/dbraw/zinc/40/38/89/258403889.db2.gz GNCZKVPGZXKOSZ-NEPJUHHUSA-N 1 0 356.448 1.645 10 5 FDBERO CC(C)[N@H+]1C[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000158831520 524536473 /nfs/dbraw/zinc/53/64/73/524536473.db2.gz OHFXNMGZAKHJMM-AAEUAGOBSA-N 1 0 362.386 1.348 10 5 FDBERO CC[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174642298 524669243 /nfs/dbraw/zinc/66/92/43/524669243.db2.gz URGVESUMYACBJH-CABCVRRESA-N 1 0 364.446 1.700 10 5 FDBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000161387743 525097612 /nfs/dbraw/zinc/09/76/12/525097612.db2.gz LDRQPWOCZGACFE-JSGCOSHPSA-N 1 0 358.402 1.634 10 5 FDBERO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000116900394 525249801 /nfs/dbraw/zinc/24/98/01/525249801.db2.gz ZOBGMROHAOHEML-CQSZACIVSA-N 1 0 357.432 1.163 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118859436 525567429 /nfs/dbraw/zinc/56/74/29/525567429.db2.gz ZAOMAUDHLFRJGP-XJKSGUPXSA-N 1 0 350.419 1.310 10 5 FDBERO CC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118858984 525568994 /nfs/dbraw/zinc/56/89/94/525568994.db2.gz NQSYAYJZKOOYDG-CJNGLKHVSA-N 1 0 350.419 1.310 10 5 FDBERO COCC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106110261 525600734 /nfs/dbraw/zinc/60/07/34/525600734.db2.gz CQOJZKPUXTWCOJ-AWEZNQCLSA-N 1 0 350.419 1.576 10 5 FDBERO Cn1ccnc1C(=O)c1ccc(N2CCO[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000108951722 526047945 /nfs/dbraw/zinc/04/79/45/526047945.db2.gz QVENXEWVHIILKJ-CQSZACIVSA-N 1 0 373.413 1.326 10 5 FDBERO CC[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000182234672 526106922 /nfs/dbraw/zinc/10/69/22/526106922.db2.gz ANCKCLSZJGQOOB-CVEARBPZSA-N 1 0 367.446 1.377 10 5 FDBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182242827 526108521 /nfs/dbraw/zinc/10/85/21/526108521.db2.gz OAQYLDGCUZEUON-OAHLLOKOSA-N 1 0 355.460 1.785 10 5 FDBERO COc1ccc(OCCN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247245800 537100551 /nfs/dbraw/zinc/10/05/51/537100551.db2.gz DQYAYUPWYRGVAK-KBPBESRZSA-N 1 0 353.419 1.369 10 5 FDBERO CC[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247768608 537148399 /nfs/dbraw/zinc/14/83/99/537148399.db2.gz OMBXZQLVVDXDJS-ZMSDIMECSA-N 1 0 367.446 1.112 10 5 FDBERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261600656 672633403 /nfs/dbraw/zinc/63/34/03/672633403.db2.gz BBMVJSRUFZOYBN-NEPJUHHUSA-N 1 0 356.448 1.409 10 5 FDBERO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237793361 178330832 /nfs/dbraw/zinc/33/08/32/178330832.db2.gz HKXTXETWNBPADU-CYBMUJFWSA-N 1 0 358.402 1.603 10 5 FDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000245633023 178371959 /nfs/dbraw/zinc/37/19/59/178371959.db2.gz VHUFCEBCYGESMA-GJZGRUSLSA-N 1 0 374.441 1.740 10 5 FDBERO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2[N+](=O)[O-])C1 ZINC000262072828 178668063 /nfs/dbraw/zinc/66/80/63/178668063.db2.gz BVMBAOWZSLKSNW-HACGYAERSA-N 1 0 362.430 1.141 10 5 FDBERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172496433 258277119 /nfs/dbraw/zinc/27/71/19/258277119.db2.gz WNORNGOENFYKCN-QGZVFWFLSA-N 1 0 364.446 1.890 10 5 FDBERO CC[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C[C@@H](C)O ZINC000136258657 173359328 /nfs/dbraw/zinc/35/93/28/173359328.db2.gz SFUWCTYQSGPNQU-HIFRSBDPSA-N 1 0 374.441 1.922 10 5 FDBERO CC[C@H]([NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181548085 174232516 /nfs/dbraw/zinc/23/25/16/174232516.db2.gz DSJJUXUMERSLMD-RDJZCZTQSA-N 1 0 362.430 1.763 10 5 FDBERO O=[N+]([O-])c1cnc2ccc(NC[C@H](O)C[N@@H+]3CCc4ccccc4C3)nn21 ZINC000301928023 259036216 /nfs/dbraw/zinc/03/62/16/259036216.db2.gz NJLHTBRIURYJDZ-HNNXBMFYSA-N 1 0 368.397 1.469 10 5 FDBERO CCOc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000174597968 524644019 /nfs/dbraw/zinc/64/40/19/524644019.db2.gz VJNZDCPPWBYFBE-HIFRSBDPSA-N 1 0 365.430 1.911 10 5 FDBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000159972878 524779747 /nfs/dbraw/zinc/77/97/47/524779747.db2.gz HCCRHPOQTMTOPO-CQSZACIVSA-N 1 0 352.347 1.080 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000175040145 524848801 /nfs/dbraw/zinc/84/88/01/524848801.db2.gz TZDVTRPRPHWCSI-HUUCEWRRSA-N 1 0 361.398 1.871 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000116783774 525214887 /nfs/dbraw/zinc/21/48/87/525214887.db2.gz NKQUXYNMPQQSRS-INIZCTEOSA-N 1 0 359.386 1.183 10 5 FDBERO COCC[N@@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000116884758 525238866 /nfs/dbraw/zinc/23/88/66/525238866.db2.gz XUAYRZKNIQLXJH-GFCCVEGCSA-N 1 0 372.447 1.013 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118857946 525565039 /nfs/dbraw/zinc/56/50/39/525565039.db2.gz NXWPXVPXZQQXAD-UONOGXRCSA-N 1 0 350.419 1.310 10 5 FDBERO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170994994 525792872 /nfs/dbraw/zinc/79/28/72/525792872.db2.gz ZOVVKDOCVGTVSX-LLVKDONJSA-N 1 0 366.805 1.285 10 5 FDBERO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263303468 537013220 /nfs/dbraw/zinc/01/32/20/537013220.db2.gz XKKYIXIETGGYMA-ZWNOBZJWSA-N 1 0 360.374 1.045 10 5 FDBERO CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247553976 537132952 /nfs/dbraw/zinc/13/29/52/537132952.db2.gz QFEQPELNVGTPQU-LSDHHAIUSA-N 1 0 367.446 1.759 10 5 FDBERO CCOCC[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247817257 537152978 /nfs/dbraw/zinc/15/29/78/537152978.db2.gz WLLPWZYHOUDMFM-DOTOQJQBSA-N 1 0 367.446 1.377 10 5 FDBERO Cc1cc(C(=O)NCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248408027 537178285 /nfs/dbraw/zinc/17/82/85/537178285.db2.gz BXEJJTNORAMEHD-HIFRSBDPSA-N 1 0 360.414 1.328 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000248420298 537179900 /nfs/dbraw/zinc/17/99/00/537179900.db2.gz LQQCFMXRQBBNIX-HOTGVXAUSA-N 1 0 374.441 1.718 10 5 FDBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000190713461 537184117 /nfs/dbraw/zinc/18/41/17/537184117.db2.gz YQPAYRPWAGKNSR-AWEZNQCLSA-N 1 0 371.397 1.685 10 5 FDBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261641553 672641448 /nfs/dbraw/zinc/64/14/48/672641448.db2.gz IRGHIUBKIMFORT-LBPRGKRZSA-N 1 0 355.236 1.841 10 5 FDBERO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090068645 172260326 /nfs/dbraw/zinc/26/03/26/172260326.db2.gz DHGGSAGYSOQPDG-LRDDRELGSA-N 1 0 362.430 1.761 10 5 FDBERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000103476815 172367579 /nfs/dbraw/zinc/36/75/79/172367579.db2.gz BSVVIWWFGKCSQA-AWEZNQCLSA-N 1 0 358.402 1.685 10 5 FDBERO COc1ccc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])c1 ZINC000173670570 258307149 /nfs/dbraw/zinc/30/71/49/258307149.db2.gz VRAXXBVSAFCORY-UHFFFAOYSA-N 1 0 373.413 1.985 10 5 FDBERO CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000173677437 258307330 /nfs/dbraw/zinc/30/73/30/258307330.db2.gz QFEQPELNVGTPQU-CABCVRRESA-N 1 0 367.446 1.759 10 5 FDBERO Cn1cc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301306684 259025334 /nfs/dbraw/zinc/02/53/34/259025334.db2.gz ZEWBGHPPSSTBGE-OAHLLOKOSA-N 1 0 357.374 1.692 10 5 FDBERO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)nn21 ZINC000301974294 259036667 /nfs/dbraw/zinc/03/66/67/259036667.db2.gz VIKVDARUCNNIPX-KBPBESRZSA-N 1 0 360.418 1.817 10 5 FDBERO C[C@H]1C[C@@H]1Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000075721683 522964286 /nfs/dbraw/zinc/96/42/86/522964286.db2.gz PVBZAFJZDCRICX-FZMZJTMJSA-N 1 0 356.448 1.645 10 5 FDBERO C[NH+](C)C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111130769 524205092 /nfs/dbraw/zinc/20/50/92/524205092.db2.gz VQEMCFWRQAWIBK-QGZVFWFLSA-N 1 0 370.409 1.744 10 5 FDBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112550811 524504956 /nfs/dbraw/zinc/50/49/56/524504956.db2.gz CILNQSCVPSJGKA-WCQYABFASA-N 1 0 358.402 1.680 10 5 FDBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000112551129 524505896 /nfs/dbraw/zinc/50/58/96/524505896.db2.gz WECUVYCFQNOGPC-STQMWFEESA-N 1 0 372.429 1.989 10 5 FDBERO CC[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117306476 525316083 /nfs/dbraw/zinc/31/60/83/525316083.db2.gz ADVHBZDHBISGIN-HNNXBMFYSA-N 1 0 364.446 1.966 10 5 FDBERO COc1ccc(CSCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170866981 525745361 /nfs/dbraw/zinc/74/53/61/525745361.db2.gz GXBQMNRBXAXLSC-CYBMUJFWSA-N 1 0 353.444 1.999 10 5 FDBERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC000107252452 525854563 /nfs/dbraw/zinc/85/45/63/525854563.db2.gz AXQMAZPMKZJMEU-CQSZACIVSA-N 1 0 366.418 1.055 10 5 FDBERO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCO1 ZINC000108951648 526048232 /nfs/dbraw/zinc/04/82/32/526048232.db2.gz DJKMRYGNRZYFTD-OAHLLOKOSA-N 1 0 362.430 1.598 10 5 FDBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000109132817 526079471 /nfs/dbraw/zinc/07/94/71/526079471.db2.gz BZLSNQPKTVRJSZ-WFASDCNBSA-N 1 0 370.413 1.459 10 5 FDBERO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182853662 535875965 /nfs/dbraw/zinc/87/59/65/535875965.db2.gz RLTLXXXVYCYJFD-GFCCVEGCSA-N 1 0 365.411 1.972 10 5 FDBERO Cc1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000183265706 535952706 /nfs/dbraw/zinc/95/27/06/535952706.db2.gz RYFHHVXVQRWZRN-HNNXBMFYSA-N 1 0 364.446 1.726 10 5 FDBERO COc1c(F)cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000186975270 536251058 /nfs/dbraw/zinc/25/10/58/536251058.db2.gz OOKIZJCBKUFPHH-SNVBAGLBSA-N 1 0 359.379 1.211 10 5 FDBERO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000246328884 536928816 /nfs/dbraw/zinc/92/88/16/536928816.db2.gz GMXVWLTUJONGRI-UONOGXRCSA-N 1 0 365.430 1.971 10 5 FDBERO COc1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1SC ZINC000263229002 536996970 /nfs/dbraw/zinc/99/69/70/536996970.db2.gz NDOFKQQTEVZAOU-NSHDSACASA-N 1 0 365.415 1.951 10 5 FDBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000247463966 537122141 /nfs/dbraw/zinc/12/21/41/537122141.db2.gz IPPYYUCMUXDDIP-CGTJXYLNSA-N 1 0 360.414 1.740 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247539164 537130839 /nfs/dbraw/zinc/13/08/39/537130839.db2.gz CVETZHAXOHCMSV-RDBSUJKOSA-N 1 0 350.419 1.309 10 5 FDBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247539148 537131405 /nfs/dbraw/zinc/13/14/05/537131405.db2.gz CVETZHAXOHCMSV-HZSPNIEDSA-N 1 0 350.419 1.309 10 5 FDBERO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[NH2+]CCC1(F)F ZINC000717009429 974442262 /nfs/dbraw/zinc/44/22/62/974442262.db2.gz FMTVHWLJRGHAOH-SSDOTTSWSA-N 1 0 351.151 1.831 10 5 FDBERO C[C@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000245722650 178377755 /nfs/dbraw/zinc/37/77/55/178377755.db2.gz AZLVRDYDBVHCLR-KGLIPLIRSA-N 1 0 373.413 1.308 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172496437 258277219 /nfs/dbraw/zinc/27/72/19/258277219.db2.gz WNORNGOENFYKCN-KRWDZBQOSA-N 1 0 364.446 1.890 10 5 FDBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000072688195 172047711 /nfs/dbraw/zinc/04/77/11/172047711.db2.gz APOUBGXEICDVRH-OAHLLOKOSA-N 1 0 363.393 1.868 10 5 FDBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000131431508 173202229 /nfs/dbraw/zinc/20/22/29/173202229.db2.gz XLUMPOKSAQKEET-CYBMUJFWSA-N 1 0 356.448 1.775 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000175447185 174006984 /nfs/dbraw/zinc/00/69/84/174006984.db2.gz GGSDTHBKUIIWAH-GDBMZVCRSA-N 1 0 360.414 1.410 10 5 FDBERO COc1ccc(OCC[N@@H+]2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000173951107 258315671 /nfs/dbraw/zinc/31/56/71/258315671.db2.gz ZCJBMEJQTGVLEH-AWEZNQCLSA-N 1 0 351.403 1.389 10 5 FDBERO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242126 258322016 /nfs/dbraw/zinc/32/20/16/258322016.db2.gz ZHZVZMGJPJFMPV-HNNXBMFYSA-N 1 0 363.414 1.421 10 5 FDBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000173987460 524499926 /nfs/dbraw/zinc/49/99/26/524499926.db2.gz AGCUNTHBLFWSEN-OAHLLOKOSA-N 1 0 362.430 1.638 10 5 FDBERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000159166956 524608231 /nfs/dbraw/zinc/60/82/31/524608231.db2.gz IJPGKXDHJCRTRI-SFHVURJKSA-N 1 0 355.394 1.744 10 5 FDBERO Cc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000161292493 525074920 /nfs/dbraw/zinc/07/49/20/525074920.db2.gz OOZNZACCFFDAPC-BLLLJJGKSA-N 1 0 372.429 1.942 10 5 FDBERO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124950422 525112180 /nfs/dbraw/zinc/11/21/80/525112180.db2.gz MTFFMYSJEIQTRW-CQSZACIVSA-N 1 0 371.459 1.503 10 5 FDBERO CN1CCO[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116739813 525202523 /nfs/dbraw/zinc/20/25/23/525202523.db2.gz GBWAREGWOQCWKH-LBPRGKRZSA-N 1 0 357.794 1.464 10 5 FDBERO CCC[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000162254614 525233740 /nfs/dbraw/zinc/23/37/40/525233740.db2.gz NDVIGDBRSBYJBT-MRXNPFEDSA-N 1 0 362.430 1.610 10 5 FDBERO CCOCC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000116871378 525237996 /nfs/dbraw/zinc/23/79/96/525237996.db2.gz CYBSJPFUEWZJDY-AWEZNQCLSA-N 1 0 350.419 1.631 10 5 FDBERO CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000117308218 525317879 /nfs/dbraw/zinc/31/78/79/525317879.db2.gz XRRGXIXQNAVUIF-OAHLLOKOSA-N 1 0 367.450 1.367 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000106100808 525583446 /nfs/dbraw/zinc/58/34/46/525583446.db2.gz SHKRDQSPRCSNNC-QWHCGFSZSA-N 1 0 351.403 1.348 10 5 FDBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000106179397 525655326 /nfs/dbraw/zinc/65/53/26/525655326.db2.gz DKBDINFACKRJLN-AWEZNQCLSA-N 1 0 372.429 1.814 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182211762 526097425 /nfs/dbraw/zinc/09/74/25/526097425.db2.gz ODLYVHODSXCMSI-GOEBONIOSA-N 1 0 367.471 1.927 10 5 FDBERO CC[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000182234115 526105994 /nfs/dbraw/zinc/10/59/94/526105994.db2.gz CLVDLQKXMRZUNI-OAGGEKHMSA-N 1 0 367.446 1.112 10 5 FDBERO C[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCO1 ZINC000183202796 535941690 /nfs/dbraw/zinc/94/16/90/535941690.db2.gz FLYAIUUIZGDOPS-YOEHRIQHSA-N 1 0 362.430 1.401 10 5 FDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000184972303 536194427 /nfs/dbraw/zinc/19/44/27/536194427.db2.gz ZKWVPWDHEKSYLC-CQSZACIVSA-N 1 0 364.446 1.829 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246602500 536989794 /nfs/dbraw/zinc/98/97/94/536989794.db2.gz HIXGBIAGLCMMFA-HOCLYGCPSA-N 1 0 353.444 1.983 10 5 FDBERO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247497974 537126072 /nfs/dbraw/zinc/12/60/72/537126072.db2.gz UUPKRELOVPRCQZ-RYUDHWBXSA-N 1 0 355.416 1.461 10 5 FDBERO C[C@@H]1C[C@H]2[C@H](S1)N(O)[C@@H]1CCCC[C@H]1[NH2+][C@H]2N1CC[N+](C)([O-])CC1 ZINC000575627288 550467715 /nfs/dbraw/zinc/46/77/15/550467715.db2.gz NMUJEYJKJPDVIW-KPLDXPABSA-N 1 0 357.544 1.537 10 5 FDBERO CNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261723512 672658738 /nfs/dbraw/zinc/65/87/38/672658738.db2.gz QXYYOEANIUAVKM-CYZMBNFOSA-N 1 0 354.432 1.067 10 5 FDBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000192486740 178117031 /nfs/dbraw/zinc/11/70/31/178117031.db2.gz MXBFVXAJAJJYLH-INIZCTEOSA-N 1 0 359.430 1.951 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000172819636 258286008 /nfs/dbraw/zinc/28/60/08/258286008.db2.gz WXUSTCVKBJYKMD-HNNXBMFYSA-N 1 0 362.430 1.380 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000106173508 172429771 /nfs/dbraw/zinc/42/97/71/172429771.db2.gz KXKDUVKJSOQRCD-GOEBONIOSA-N 1 0 361.402 1.338 10 5 FDBERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000130947567 173185660 /nfs/dbraw/zinc/18/56/60/173185660.db2.gz VKVJFOJYHLJHFW-MRXNPFEDSA-N 1 0 373.413 1.493 10 5 FDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000178080532 174169506 /nfs/dbraw/zinc/16/95/06/174169506.db2.gz DXCBVJHGRJERAB-AWEZNQCLSA-N 1 0 364.446 1.558 10 5 FDBERO Cc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000178590490 258329438 /nfs/dbraw/zinc/32/94/38/258329438.db2.gz WAFAFADQNUYUGN-ZDUSSCGKSA-N 1 0 357.432 1.028 10 5 FDBERO CN(C)S(=O)(=O)c1ccc(NC[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000261619411 258403516 /nfs/dbraw/zinc/40/35/16/258403516.db2.gz FXMSYJVNNGAYKW-CQSZACIVSA-N 1 0 364.427 1.957 10 5 FDBERO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000056091109 521786800 /nfs/dbraw/zinc/78/68/00/521786800.db2.gz JWANKVRNZPAFSD-UHFFFAOYSA-N 1 0 353.444 1.985 10 5 FDBERO COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1[N+](=O)[O-] ZINC000173850424 524469016 /nfs/dbraw/zinc/46/90/16/524469016.db2.gz PWAGJZSRGPTHQC-AWEZNQCLSA-N 1 0 373.413 1.931 10 5 FDBERO CCn1cc(CN2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000112695510 524537749 /nfs/dbraw/zinc/53/77/49/524537749.db2.gz GJQXQKBQHHQNOM-UHFFFAOYSA-N 1 0 372.429 1.622 10 5 FDBERO CCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160278132 524847894 /nfs/dbraw/zinc/84/78/94/524847894.db2.gz FCHLASWQFIQHRE-AWEZNQCLSA-N 1 0 351.403 1.570 10 5 FDBERO Cc1cc(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)n2ncnc2n1 ZINC000103466568 525356183 /nfs/dbraw/zinc/35/61/83/525356183.db2.gz OQEHQOKQBUTNOF-UHFFFAOYSA-N 1 0 371.376 1.802 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118858831 525567967 /nfs/dbraw/zinc/56/79/67/525567967.db2.gz MIXGOFYNIXHZTQ-MRXNPFEDSA-N 1 0 364.446 1.620 10 5 FDBERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106104567 525592506 /nfs/dbraw/zinc/59/25/06/525592506.db2.gz XVSTWMIIEGHHSG-IJEWVQPXSA-N 1 0 364.446 1.699 10 5 FDBERO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000106173218 525649012 /nfs/dbraw/zinc/64/90/12/525649012.db2.gz QPRJFASGOKLJMF-CQSZACIVSA-N 1 0 370.413 1.488 10 5 FDBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155307951 525817272 /nfs/dbraw/zinc/81/72/72/525817272.db2.gz PONDHVUAJNSALX-DGCLKSJQSA-N 1 0 370.837 1.838 10 5 FDBERO CC[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000182234694 526106560 /nfs/dbraw/zinc/10/65/60/526106560.db2.gz ANCKCLSZJGQOOB-HOTGVXAUSA-N 1 0 367.446 1.377 10 5 FDBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261844695 672681910 /nfs/dbraw/zinc/68/19/10/672681910.db2.gz WSLDTLNWDRRZCJ-ZETCQYMHSA-N 1 0 352.210 1.244 10 5 FDBERO C[C@@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000261746492 178612318 /nfs/dbraw/zinc/61/23/18/178612318.db2.gz UGBUNYCIGHFMPG-NEPJUHHUSA-N 1 0 356.448 1.266 10 5 FDBERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181676408 174241308 /nfs/dbraw/zinc/24/13/08/174241308.db2.gz KVQVIMCCRQILLF-CABCVRRESA-N 1 0 365.430 1.715 10 5 FDBERO Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000189975957 258387881 /nfs/dbraw/zinc/38/78/81/258387881.db2.gz RERUIOXRQACHMD-CYBMUJFWSA-N 1 0 357.432 1.163 10 5 FDBERO NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301562526 259029908 /nfs/dbraw/zinc/02/99/08/259029908.db2.gz YFTIIYJSKFDKIG-MRXNPFEDSA-N 1 0 370.409 1.525 10 5 FDBERO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301680714 259031405 /nfs/dbraw/zinc/03/14/05/259031405.db2.gz UYTUSIZXNNOBJR-HOTGVXAUSA-N 1 0 355.398 1.879 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000173458004 524397795 /nfs/dbraw/zinc/39/77/95/524397795.db2.gz GGTQBRXAGJZBLF-HNNXBMFYSA-N 1 0 350.419 1.230 10 5 FDBERO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158909539 524551617 /nfs/dbraw/zinc/55/16/17/524551617.db2.gz XHSMPIIURIDKLB-OAHLLOKOSA-N 1 0 371.459 1.337 10 5 FDBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160353971 524866147 /nfs/dbraw/zinc/86/61/47/524866147.db2.gz XAYMNMDBEVFMMP-INIZCTEOSA-N 1 0 373.413 1.357 10 5 FDBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176441401 525119953 /nfs/dbraw/zinc/11/99/53/525119953.db2.gz CIJGPLJVOHDTST-GFCCVEGCSA-N 1 0 350.419 1.463 10 5 FDBERO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000106077315 525564955 /nfs/dbraw/zinc/56/49/55/525564955.db2.gz LMFDIQVVCXMWBQ-HNNXBMFYSA-N 1 0 370.413 1.585 10 5 FDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000106101129 525586021 /nfs/dbraw/zinc/58/60/21/525586021.db2.gz GGIHORBATBBTGE-HUUCEWRRSA-N 1 0 364.446 1.619 10 5 FDBERO Cc1cc(C(=O)NCC(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000183265723 535952768 /nfs/dbraw/zinc/95/27/68/535952768.db2.gz RYFHHVXVQRWZRN-OAHLLOKOSA-N 1 0 364.446 1.726 10 5 FDBERO CCOc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000246994467 537064866 /nfs/dbraw/zinc/06/48/66/537064866.db2.gz VJNZDCPPWBYFBE-DZGCQCFKSA-N 1 0 365.430 1.911 10 5 FDBERO CCOc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000246994477 537065057 /nfs/dbraw/zinc/06/50/57/537065057.db2.gz VJNZDCPPWBYFBE-ZFWWWQNUSA-N 1 0 365.430 1.911 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000247779662 537149553 /nfs/dbraw/zinc/14/95/53/537149553.db2.gz XJADQDYXZMKNAN-STQMWFEESA-N 1 0 369.443 1.851 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000247779661 537149608 /nfs/dbraw/zinc/14/96/08/537149608.db2.gz XJADQDYXZMKNAN-OLZOCXBDSA-N 1 0 369.443 1.851 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000118857659 671668251 /nfs/dbraw/zinc/66/82/51/671668251.db2.gz FQAPRWCYROSPPU-ZDUSSCGKSA-N 1 0 370.837 1.575 10 5 FDBERO COC[C@]1(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262112449 672728248 /nfs/dbraw/zinc/72/82/48/672728248.db2.gz BBAOYYRDGWKSCV-OAHLLOKOSA-N 1 0 372.447 1.026 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000190095707 177978980 /nfs/dbraw/zinc/97/89/80/177978980.db2.gz NSSXQNHVQAFEDQ-ZYHUDNBSSA-N 1 0 366.805 1.882 10 5 FDBERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000245450100 178360354 /nfs/dbraw/zinc/36/03/54/178360354.db2.gz OHQFLIBEJLETQR-OWCLPIDISA-N 1 0 352.435 1.822 10 5 FDBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000245932806 178390545 /nfs/dbraw/zinc/39/05/45/178390545.db2.gz SSRSVVKHRUEIGK-NXOAAHMSSA-N 1 0 350.415 1.926 10 5 FDBERO CS(=O)(=O)c1ccc(N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000261716839 178608666 /nfs/dbraw/zinc/60/86/66/178608666.db2.gz QEYQPDLOASTEKE-UHFFFAOYSA-N 1 0 353.444 1.967 10 5 FDBERO CNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261723518 178609267 /nfs/dbraw/zinc/60/92/67/178609267.db2.gz QXYYOEANIUAVKM-UHTWSYAYSA-N 1 0 354.432 1.067 10 5 FDBERO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000262732126 178788068 /nfs/dbraw/zinc/78/80/68/178788068.db2.gz BRLMPRHWYMKKBN-AAEUAGOBSA-N 1 0 367.402 1.499 10 5 FDBERO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000121815505 206111294 /nfs/dbraw/zinc/11/12/94/206111294.db2.gz DTWFQPUIYWKSIT-AWEZNQCLSA-N 1 0 350.419 1.934 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000173453744 258299946 /nfs/dbraw/zinc/29/99/46/258299946.db2.gz CAPNQCJYJCBWGV-HUUCEWRRSA-N 1 0 364.446 1.619 10 5 FDBERO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000122395106 172897375 /nfs/dbraw/zinc/89/73/75/172897375.db2.gz HKFOBTWOSJWAPW-QMMMGPOBSA-N 1 0 353.322 1.725 10 5 FDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000176880710 174091506 /nfs/dbraw/zinc/09/15/06/174091506.db2.gz LIVAJKKGGPMXBZ-CQSZACIVSA-N 1 0 365.430 1.525 10 5 FDBERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177714635 174153283 /nfs/dbraw/zinc/15/32/83/174153283.db2.gz UFGVUJNSXATHOQ-CYBMUJFWSA-N 1 0 350.419 1.958 10 5 FDBERO Cc1c(Br)cc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178913095 258339593 /nfs/dbraw/zinc/33/95/93/258339593.db2.gz MZYKINCXCBEBRP-SSDOTTSWSA-N 1 0 366.237 1.681 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248460149 258399963 /nfs/dbraw/zinc/39/99/63/258399963.db2.gz ODLYVHODSXCMSI-ZBFHGGJFSA-N 1 0 367.471 1.927 10 5 FDBERO CCOCC[N@@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000110560633 524103225 /nfs/dbraw/zinc/10/32/25/524103225.db2.gz WQFIEJXKLZIBFH-HNNXBMFYSA-N 1 0 364.446 1.892 10 5 FDBERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112550162 524504415 /nfs/dbraw/zinc/50/44/15/524504415.db2.gz DBWLVVBRHGJDKI-ZJUUUORDSA-N 1 0 364.793 1.771 10 5 FDBERO CC[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174639397 524668150 /nfs/dbraw/zinc/66/81/50/524668150.db2.gz DFXJSUAHSFTYPE-KGLIPLIRSA-N 1 0 351.403 1.277 10 5 FDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113445121 524686895 /nfs/dbraw/zinc/68/68/95/524686895.db2.gz HZHHFSLICQAFIX-WCQYABFASA-N 1 0 356.382 1.745 10 5 FDBERO COC[C@H](Cc1ccccc1)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123451819 524755102 /nfs/dbraw/zinc/75/51/02/524755102.db2.gz AXTRDPPXCFRXMC-YTQUADARSA-N 1 0 360.410 1.836 10 5 FDBERO CCOCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1CC ZINC000116767064 525205682 /nfs/dbraw/zinc/20/56/82/525205682.db2.gz BPGHASPXVXRYKL-AWEZNQCLSA-N 1 0 353.423 1.059 10 5 FDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000116900705 525248892 /nfs/dbraw/zinc/24/88/92/525248892.db2.gz YTASDTSUMIPOPK-ZDUSSCGKSA-N 1 0 357.432 1.163 10 5 FDBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000116900516 525249294 /nfs/dbraw/zinc/24/92/94/525249294.db2.gz SBIXJXACCYCWOY-LLVKDONJSA-N 1 0 363.823 1.199 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118859440 525568896 /nfs/dbraw/zinc/56/88/96/525568896.db2.gz ZAOMAUDHLFRJGP-CZUORRHYSA-N 1 0 350.419 1.310 10 5 FDBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000106179394 525655500 /nfs/dbraw/zinc/65/55/00/525655500.db2.gz DKBDINFACKRJLN-CQSZACIVSA-N 1 0 372.429 1.814 10 5 FDBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190090491 537138265 /nfs/dbraw/zinc/13/82/65/537138265.db2.gz VNICKXVAXZZDCV-JSGCOSHPSA-N 1 0 360.414 1.845 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190338407 537165684 /nfs/dbraw/zinc/16/56/84/537165684.db2.gz CWUPQEZJLAZEKR-DZGCQCFKSA-N 1 0 360.414 1.927 10 5 FDBERO CCOC(=O)c1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246113563 672492352 /nfs/dbraw/zinc/49/23/52/672492352.db2.gz QJUHPDFAGTTXHH-STQMWFEESA-N 1 0 351.403 1.663 10 5 FDBERO Cc1cc(C)c(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249131838 672545398 /nfs/dbraw/zinc/54/53/98/672545398.db2.gz YARVHNUQVZEYJL-UONOGXRCSA-N 1 0 371.459 1.287 10 5 FDBERO O=[N+]([O-])c1cc(I)ccc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420243819 680422284 /nfs/dbraw/zinc/42/22/84/680422284.db2.gz PODAENKQHDTLII-HQJQHLMTSA-N 1 0 363.155 1.192 10 5 FDBERO O=[N+]([O-])c1cnc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000261601846 178593029 /nfs/dbraw/zinc/59/30/29/178593029.db2.gz BWILFHZCLFETKR-SNVBAGLBSA-N 1 0 356.224 1.236 10 5 FDBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000116901133 172684447 /nfs/dbraw/zinc/68/44/47/172684447.db2.gz QQZGJPSWSISZAH-SNVBAGLBSA-N 1 0 363.823 1.199 10 5 FDBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000116978076 172686733 /nfs/dbraw/zinc/68/67/33/172686733.db2.gz BTVNHAQMRMWUAM-GFCCVEGCSA-N 1 0 352.347 1.214 10 5 FDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000180351872 258366904 /nfs/dbraw/zinc/36/69/04/258366904.db2.gz VIUBHPPQPGEAFJ-GFCCVEGCSA-N 1 0 353.394 1.899 10 5 FDBERO C[NH+](C)C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000111130767 524205696 /nfs/dbraw/zinc/20/56/96/524205696.db2.gz VQEMCFWRQAWIBK-KRWDZBQOSA-N 1 0 370.409 1.744 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000173458018 524396960 /nfs/dbraw/zinc/39/69/60/524396960.db2.gz GGTQBRXAGJZBLF-OAHLLOKOSA-N 1 0 350.419 1.230 10 5 FDBERO Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000124712592 525059300 /nfs/dbraw/zinc/05/93/00/525059300.db2.gz CXEAOHUZPCJVMM-MRXNPFEDSA-N 1 0 363.462 1.529 10 5 FDBERO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000153171651 525129026 /nfs/dbraw/zinc/12/90/26/525129026.db2.gz BMLUYVQSTBKMLI-ZIAGYGMSSA-N 1 0 353.350 1.430 10 5 FDBERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000116783610 525215789 /nfs/dbraw/zinc/21/57/89/525215789.db2.gz FWXCXDFATLXYTQ-LBPRGKRZSA-N 1 0 366.374 1.522 10 5 FDBERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180077538 525660613 /nfs/dbraw/zinc/66/06/13/525660613.db2.gz IPVZOSYDTDTEEB-MRXNPFEDSA-N 1 0 355.460 1.883 10 5 FDBERO Cn1nccc1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182227126 526101842 /nfs/dbraw/zinc/10/18/42/526101842.db2.gz XNOBPBJGNGRQSG-OAHLLOKOSA-N 1 0 360.414 1.948 10 5 FDBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182232608 526102906 /nfs/dbraw/zinc/10/29/06/526102906.db2.gz BDOSJMZOZLYVKJ-OAHLLOKOSA-N 1 0 373.413 1.701 10 5 FDBERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1ccncc1[N+](=O)[O-] ZINC000183626829 536018554 /nfs/dbraw/zinc/01/85/54/536018554.db2.gz DUJKZCCLGKMIPT-HNNXBMFYSA-N 1 0 371.397 1.531 10 5 FDBERO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC[N@@H+]1C[C@H](C)O ZINC000246328869 536928382 /nfs/dbraw/zinc/92/83/82/536928382.db2.gz GMXVWLTUJONGRI-KBPBESRZSA-N 1 0 365.430 1.971 10 5 FDBERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000263168304 536986284 /nfs/dbraw/zinc/98/62/84/536986284.db2.gz FMPWAOLDXHORCE-ZDUSSCGKSA-N 1 0 356.342 1.475 10 5 FDBERO C[N@H+](CCO)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000272230201 674423332 /nfs/dbraw/zinc/42/33/32/674423332.db2.gz PAODJESNZQXTEJ-UHFFFAOYSA-N 1 0 359.224 1.645 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000249194848 672549777 /nfs/dbraw/zinc/54/97/77/672549777.db2.gz PYHQZVGZLBAVRI-PWSUYJOCSA-N 1 0 366.805 1.882 10 5 FDBERO CNS(=O)(=O)c1ccc(N2CCC(CC[NH2+]C)CC2)c([N+](=O)[O-])c1 ZINC000261777465 672670490 /nfs/dbraw/zinc/67/04/90/672670490.db2.gz XLXLNDKUSSACIE-UHFFFAOYSA-N 1 0 356.448 1.329 10 5 FDBERO O=[N+]([O-])c1ccc(Br)cc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261779019 672670827 /nfs/dbraw/zinc/67/08/27/672670827.db2.gz WTDNLKBFUYEDQI-LBPRGKRZSA-N 1 0 355.236 1.841 10 5 FDBERO CCOC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000262741654 672839733 /nfs/dbraw/zinc/83/97/33/672839733.db2.gz JPRIBRIEAYTCLC-SECBINFHSA-N 1 0 359.404 1.096 10 5 FDBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000190572286 178010699 /nfs/dbraw/zinc/01/06/99/178010699.db2.gz WQWGCVOOMYADGL-NSHDSACASA-N 1 0 364.431 1.677 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000192352607 178110891 /nfs/dbraw/zinc/11/08/91/178110891.db2.gz ZUDXJTJESVEHIW-JTQLQIEISA-N 1 0 372.219 1.760 10 5 FDBERO Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000121815616 209355569 /nfs/dbraw/zinc/35/55/69/209355569.db2.gz DTWFQPUIYWKSIT-CQSZACIVSA-N 1 0 350.419 1.934 10 5 FDBERO C[NH+](C)[C@@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000170859384 258265108 /nfs/dbraw/zinc/26/51/08/258265108.db2.gz CJAYSYSHCCWGOF-CYBMUJFWSA-N 1 0 362.386 1.445 10 5 FDBERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000128513570 173111889 /nfs/dbraw/zinc/11/18/89/173111889.db2.gz JRTLSHMCSUGIDU-RISCZKNCSA-N 1 0 350.375 1.520 10 5 FDBERO CC(=O)NC1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132985632 173250516 /nfs/dbraw/zinc/25/05/16/173250516.db2.gz IKHKKUKKGFEKNC-GMGZGELVSA-N 1 0 351.403 1.026 10 5 FDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000176880696 174091519 /nfs/dbraw/zinc/09/15/19/174091519.db2.gz LIVAJKKGGPMXBZ-AWEZNQCLSA-N 1 0 365.430 1.525 10 5 FDBERO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000173641155 258305735 /nfs/dbraw/zinc/30/57/35/258305735.db2.gz ZLLWSAYVKVGJFI-UHFFFAOYSA-N 1 0 371.441 1.957 10 5 FDBERO C[C@@H]([NH3+])CCNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000178623013 258330278 /nfs/dbraw/zinc/33/02/78/258330278.db2.gz WDSSDSWURDMUPY-SECBINFHSA-N 1 0 350.404 1.342 10 5 FDBERO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000302261950 259041448 /nfs/dbraw/zinc/04/14/48/259041448.db2.gz PVJZJZWFZGTALQ-CYBMUJFWSA-N 1 0 370.475 1.436 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000118857189 525566754 /nfs/dbraw/zinc/56/67/54/525566754.db2.gz BKOADSHSWHGIPW-MRXNPFEDSA-N 1 0 364.446 1.620 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000106101218 525585095 /nfs/dbraw/zinc/58/50/95/525585095.db2.gz UVLXSBRBEDGUIJ-UONOGXRCSA-N 1 0 350.419 1.310 10 5 FDBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000182238615 526105511 /nfs/dbraw/zinc/10/55/11/526105511.db2.gz YUTLNSQKFYFEGJ-INIZCTEOSA-N 1 0 360.414 1.943 10 5 FDBERO CCOc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c([N+](=O)[O-])cc1OC ZINC000263290112 537010334 /nfs/dbraw/zinc/01/03/34/537010334.db2.gz VNYJKIPVXMHZCX-LBPRGKRZSA-N 1 0 363.374 1.628 10 5 FDBERO CC[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246827672 537034915 /nfs/dbraw/zinc/03/49/15/537034915.db2.gz LOVIKCMANBAEDT-GJZGRUSLSA-N 1 0 364.446 1.335 10 5 FDBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247554362 537133341 /nfs/dbraw/zinc/13/33/41/537133341.db2.gz FKQLQRZEWKOCFS-UONOGXRCSA-N 1 0 358.402 1.926 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190358256 537167739 /nfs/dbraw/zinc/16/77/39/537167739.db2.gz FRGZYHAOFMZSFX-UONOGXRCSA-N 1 0 360.414 1.927 10 5 FDBERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124715452 671740549 /nfs/dbraw/zinc/74/05/49/671740549.db2.gz SUFPEQGFVHZRHA-MRVPVSSYSA-N 1 0 364.221 1.469 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000246111953 672491610 /nfs/dbraw/zinc/49/16/10/672491610.db2.gz IFZRFWTWRYIECA-AAEUAGOBSA-N 1 0 357.407 1.981 10 5 FDBERO Cc1cc(C)c(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249131831 672545341 /nfs/dbraw/zinc/54/53/41/672545341.db2.gz YARVHNUQVZEYJL-KBPBESRZSA-N 1 0 371.459 1.287 10 5 FDBERO O=C(NC[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000262173584 672740877 /nfs/dbraw/zinc/74/08/77/672740877.db2.gz IBAHDDUKXPIUBM-DGCLKSJQSA-N 1 0 367.837 1.728 10 5 FDBERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193288513 178156153 /nfs/dbraw/zinc/15/61/53/178156153.db2.gz KAMQZKZRWDEJJV-JQWIXIFHSA-N 1 0 350.400 1.549 10 5 FDBERO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261762006 178615444 /nfs/dbraw/zinc/61/54/44/178615444.db2.gz VBUWBVJSRNPOMP-JTQLQIEISA-N 1 0 356.224 1.236 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000106081134 172413549 /nfs/dbraw/zinc/41/35/49/172413549.db2.gz LJAHAFAZUUQLHO-MRXNPFEDSA-N 1 0 373.413 1.701 10 5 FDBERO COc1ccc(OCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1 ZINC000173752627 258309200 /nfs/dbraw/zinc/30/92/00/258309200.db2.gz HZUVMDJACCIZAB-AWEZNQCLSA-N 1 0 361.402 1.986 10 5 FDBERO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](N4CCOCC4)C3)o2)cc1 ZINC000173943120 258315187 /nfs/dbraw/zinc/31/51/87/258315187.db2.gz OLOMFEXFBXVBBG-HNNXBMFYSA-N 1 0 359.386 1.551 10 5 FDBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 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CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000173449796 258299577 /nfs/dbraw/zinc/29/95/77/258299577.db2.gz BFMRZYXAIRERIR-OAHLLOKOSA-N 1 0 350.419 1.230 10 5 FDBERO Cc1cccc(NC[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090550075 172267084 /nfs/dbraw/zinc/26/70/84/172267084.db2.gz GLZUBGBGPLIXGX-OAHLLOKOSA-N 1 0 357.414 1.894 10 5 FDBERO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1Cl ZINC000130263063 173165641 /nfs/dbraw/zinc/16/56/41/173165641.db2.gz MYIOWRUCGSJZSX-KBPBESRZSA-N 1 0 355.778 1.554 10 5 FDBERO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000131794040 173213341 /nfs/dbraw/zinc/21/33/41/173213341.db2.gz NGXBXGFVFRJGFG-CQSZACIVSA-N 1 0 358.402 1.147 10 5 FDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000176866328 174091021 /nfs/dbraw/zinc/09/10/21/174091021.db2.gz YHIVYFYVAHEJBC-LBPRGKRZSA-N 1 0 350.419 1.342 10 5 FDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 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1 0 364.446 1.620 10 5 FDBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000106081137 525567728 /nfs/dbraw/zinc/56/77/28/525567728.db2.gz LJAHAFAZUUQLHO-INIZCTEOSA-N 1 0 373.413 1.701 10 5 FDBERO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000106098990 525580778 /nfs/dbraw/zinc/58/07/78/525580778.db2.gz IGPAVZWCPNBYRP-NFAWXSAZSA-N 1 0 364.446 1.617 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106101136 525584725 /nfs/dbraw/zinc/58/47/25/525584725.db2.gz RMAXKZHGILMVBC-UONOGXRCSA-N 1 0 350.419 1.310 10 5 FDBERO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247497968 537125727 /nfs/dbraw/zinc/12/57/27/537125727.db2.gz UUPKRELOVPRCQZ-NEPJUHHUSA-N 1 0 355.416 1.461 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000247546877 537131755 /nfs/dbraw/zinc/13/17/55/537131755.db2.gz DONXLVLDDKULFZ-NEPJUHHUSA-N 1 0 370.837 1.574 10 5 FDBERO 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[NH3+]CCNC(=O)[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000262510659 672801314 /nfs/dbraw/zinc/80/13/14/672801314.db2.gz MYUCZBDWIIKZMX-SECBINFHSA-N 1 0 372.223 1.044 10 5 FDBERO Cc1c(Br)c(N2CCN([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000262580349 672810644 /nfs/dbraw/zinc/81/06/44/672810644.db2.gz YVMGVYNOQMLBOO-NSHDSACASA-N 1 0 370.251 1.545 10 5 FDBERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193449300 178163370 /nfs/dbraw/zinc/16/33/70/178163370.db2.gz NDRHENHVKVISJZ-ZYHUDNBSSA-N 1 0 350.400 1.562 10 5 FDBERO O=[N+]([O-])c1cnc(N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000261771940 178618201 /nfs/dbraw/zinc/61/82/01/178618201.db2.gz WDAWAXDASAVMGZ-JTQLQIEISA-N 1 0 356.224 1.236 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000173453715 258300014 /nfs/dbraw/zinc/30/00/14/258300014.db2.gz CAPNQCJYJCBWGV-LSDHHAIUSA-N 1 0 364.446 1.619 10 5 FDBERO CC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000131020060 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FZAWCBNFGKJTBR-ZDUSSCGKSA-N 1 0 365.430 1.768 10 5 FDBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000116783744 525215496 /nfs/dbraw/zinc/21/54/96/525215496.db2.gz FHGUVVJCTGKNEV-OAHLLOKOSA-N 1 0 359.386 1.183 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118858444 525565522 /nfs/dbraw/zinc/56/55/22/525565522.db2.gz XYVSSAMIGJTOPG-AWEZNQCLSA-N 1 0 350.419 1.312 10 5 FDBERO CC[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000106114732 525606984 /nfs/dbraw/zinc/60/69/84/525606984.db2.gz PZUFPZRFSRNBOF-OAHLLOKOSA-N 1 0 364.446 1.600 10 5 FDBERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000106116427 525610632 /nfs/dbraw/zinc/61/06/32/525610632.db2.gz CICIPNMOQYGBJN-GOEBONIOSA-N 1 0 364.446 1.964 10 5 FDBERO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000106176722 525654738 /nfs/dbraw/zinc/65/47/38/525654738.db2.gz JJVGWPKTCVCDSM-CQSZACIVSA-N 1 0 358.402 1.927 10 5 FDBERO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000106176786 525655096 /nfs/dbraw/zinc/65/50/96/525655096.db2.gz VYCLMWVKXXVUBW-CQSZACIVSA-N 1 0 358.402 1.927 10 5 FDBERO COC(=O)c1cc(NC[C@H](O)C[NH+]2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000129849774 525696132 /nfs/dbraw/zinc/69/61/32/525696132.db2.gz MUWRMDIKVAYZDW-AWEZNQCLSA-N 1 0 351.403 1.949 10 5 FDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000155313154 525819500 /nfs/dbraw/zinc/81/95/00/525819500.db2.gz WGELDGISRFXOQQ-OAHLLOKOSA-N 1 0 350.419 1.494 10 5 FDBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263183287 536988625 /nfs/dbraw/zinc/98/86/25/536988625.db2.gz HAIRYTGCNYPQIP-MNOVXSKESA-N 1 0 364.410 1.159 10 5 FDBERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000246631410 536993934 /nfs/dbraw/zinc/99/39/34/536993934.db2.gz ZLXDDDGATLAHDT-RHSMWYFYSA-N 1 0 362.430 1.576 10 5 FDBERO CC[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000247592828 537138939 /nfs/dbraw/zinc/13/89/39/537138939.db2.gz JWDVEHOZOWMTCB-NVXWUHKLSA-N 1 0 367.446 1.377 10 5 FDBERO COc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247620420 537141124 /nfs/dbraw/zinc/14/11/24/537141124.db2.gz NEAGPDZMXXVSJY-DGCLKSJQSA-N 1 0 357.432 1.610 10 5 FDBERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000191981155 537216493 /nfs/dbraw/zinc/21/64/93/537216493.db2.gz QBSYSDFLLRSARE-UHFFFAOYSA-N 1 0 367.450 1.529 10 5 FDBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261641551 672641134 /nfs/dbraw/zinc/64/11/34/672641134.db2.gz IRGHIUBKIMFORT-GFCCVEGCSA-N 1 0 355.236 1.841 10 5 FDBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000262009077 672711330 /nfs/dbraw/zinc/71/13/30/672711330.db2.gz WELHTVSIBODGMA-SNVBAGLBSA-N 1 0 371.235 1.649 10 5 FDBERO O=C(NC[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000262293560 672763460 /nfs/dbraw/zinc/76/34/60/672763460.db2.gz WJAGSNJADMONGE-JSGCOSHPSA-N 1 0 350.394 1.819 10 5 FDBERO CS(=O)(=O)c1ccc(-c2nc(C[N+]34CCN(CC3)CC4)cs2)cc1 ZINC000077397218 717134808 /nfs/dbraw/zinc/13/48/08/717134808.db2.gz YUNBEXWMSOPHID-UHFFFAOYSA-N 1 0 364.516 1.860 10 5 FDBERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000702854542 884270538 /nfs/dbraw/zinc/27/05/38/884270538.db2.gz XCBVPMFHTYCVDT-HIFRSBDPSA-N 1 0 351.403 1.912 10 5 FDBERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000195326415 178257734 /nfs/dbraw/zinc/25/77/34/178257734.db2.gz WRDCCZMLVDQANH-HNNXBMFYSA-N 1 0 356.386 1.404 10 5 FDBERO CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1[NH3+] ZINC000261864210 178634647 /nfs/dbraw/zinc/63/46/47/178634647.db2.gz SMIHIKDLRHRRTP-CQSZACIVSA-N 1 0 364.427 1.891 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000173449780 258299889 /nfs/dbraw/zinc/29/98/89/258299889.db2.gz BFMRZYXAIRERIR-HNNXBMFYSA-N 1 0 350.419 1.230 10 5 FDBERO Nc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089959773 172253303 /nfs/dbraw/zinc/25/33/03/172253303.db2.gz ZEVXCVQBSSXLBT-HZPDHXFCSA-N 1 0 370.409 1.542 10 5 FDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000136967389 173366926 /nfs/dbraw/zinc/36/69/26/173366926.db2.gz ZRUOEBRGSLDIOK-GFCCVEGCSA-N 1 0 353.394 1.899 10 5 FDBERO COc1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000150791390 173380809 /nfs/dbraw/zinc/38/08/09/173380809.db2.gz NWZBTGBRJNZPEJ-GFCCVEGCSA-N 1 0 355.416 1.462 10 5 FDBERO CCn1cnnc1C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000152171733 173423488 /nfs/dbraw/zinc/42/34/88/173423488.db2.gz LKQUCHUWHDICED-UHFFFAOYSA-N 1 0 358.402 1.685 10 5 FDBERO CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[N@@H+]1C[C@@H](C)O ZINC000176936849 174095929 /nfs/dbraw/zinc/09/59/29/174095929.db2.gz BNAJCOHDTAPXKE-OLZOCXBDSA-N 1 0 350.419 1.403 10 5 FDBERO CC[C@H]([NH2+][C@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181561732 174232461 /nfs/dbraw/zinc/23/24/61/174232461.db2.gz MAFNFWUIFCAUAT-WBMJQRKESA-N 1 0 362.430 1.748 10 5 FDBERO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000180646513 258372267 /nfs/dbraw/zinc/37/22/67/258372267.db2.gz QZDLJUBDXCHUFJ-SUMWQHHRSA-N 1 0 356.386 1.689 10 5 FDBERO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000180646537 258372295 /nfs/dbraw/zinc/37/22/95/258372295.db2.gz QZDLJUBDXCHUFJ-CXAGYDPISA-N 1 0 356.386 1.689 10 5 FDBERO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178672301 258332340 /nfs/dbraw/zinc/33/23/40/258332340.db2.gz DHGGSAGYSOQPDG-MLGOLLRUSA-N 1 0 362.430 1.761 10 5 FDBERO C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899727 518317024 /nfs/dbraw/zinc/31/70/24/518317024.db2.gz SHKDQSRRTPLAPP-LRDDRELGSA-N 1 0 356.382 1.608 10 5 FDBERO Cn1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120958964 524110667 /nfs/dbraw/zinc/11/06/67/524110667.db2.gz LLYJIUPWUWILDL-GOSISDBHSA-N 1 0 371.441 1.902 10 5 FDBERO COc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1[N+](=O)[O-] ZINC000173850438 524468680 /nfs/dbraw/zinc/46/86/80/524468680.db2.gz PWAGJZSRGPTHQC-CQSZACIVSA-N 1 0 373.413 1.931 10 5 FDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173988703 524500253 /nfs/dbraw/zinc/50/02/53/524500253.db2.gz FUBKAOIJXNXIED-MRXNPFEDSA-N 1 0 362.430 1.638 10 5 FDBERO COC[C@H](Cc1ccccc1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123452176 524754700 /nfs/dbraw/zinc/75/47/00/524754700.db2.gz AXTRDPPXCFRXMC-QXAKKESOSA-N 1 0 360.410 1.836 10 5 FDBERO CCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160278256 524846963 /nfs/dbraw/zinc/84/69/63/524846963.db2.gz FCHLASWQFIQHRE-CQSZACIVSA-N 1 0 351.403 1.570 10 5 FDBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000175167773 524893127 /nfs/dbraw/zinc/89/31/27/524893127.db2.gz JLFGEJLNHHOFKY-LBPRGKRZSA-N 1 0 356.448 1.423 10 5 FDBERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153124053 525112868 /nfs/dbraw/zinc/11/28/68/525112868.db2.gz UYTUSIZXNNOBJR-JKSUJKDBSA-N 1 0 355.398 1.879 10 5 FDBERO CCOCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1CC ZINC000116767062 525207163 /nfs/dbraw/zinc/20/71/63/525207163.db2.gz BPGHASPXVXRYKL-CQSZACIVSA-N 1 0 353.423 1.059 10 5 FDBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786382 525216783 /nfs/dbraw/zinc/21/67/83/525216783.db2.gz ZOTISWTVPTYVOY-TZMCWYRMSA-N 1 0 353.444 1.864 10 5 FDBERO CC[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106102957 525588221 /nfs/dbraw/zinc/58/82/21/525588221.db2.gz KVUHSBVJVZFDNP-HUUCEWRRSA-N 1 0 364.446 1.335 10 5 FDBERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000106104640 525592250 /nfs/dbraw/zinc/59/22/50/525592250.db2.gz LOBMPDTXXIHBOU-IJEWVQPXSA-N 1 0 364.446 1.699 10 5 FDBERO COCC[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000106110328 525601853 /nfs/dbraw/zinc/60/18/53/525601853.db2.gz MVZOOHVNYRPCOF-AWEZNQCLSA-N 1 0 350.419 1.576 10 5 FDBERO CC[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000106115753 525608343 /nfs/dbraw/zinc/60/83/43/525608343.db2.gz IHRPLLBYTVEGHI-HNNXBMFYSA-N 1 0 364.446 1.884 10 5 FDBERO COc1cc(OCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155444891 525868220 /nfs/dbraw/zinc/86/82/20/525868220.db2.gz QXRGMJPMGNYOCK-JSGCOSHPSA-N 1 0 351.403 1.827 10 5 FDBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000109132813 526078797 /nfs/dbraw/zinc/07/87/97/526078797.db2.gz BZLSNQPKTVRJSZ-SWLSCSKDSA-N 1 0 370.413 1.459 10 5 FDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183714850 536035332 /nfs/dbraw/zinc/03/53/32/536035332.db2.gz LQQCFMXRQBBNIX-JKSUJKDBSA-N 1 0 374.441 1.718 10 5 FDBERO 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/nfs/dbraw/zinc/56/60/36/524566036.db2.gz NVEGFWVPNYAMRS-HNNXBMFYSA-N 1 0 371.459 1.282 10 5 FDBERO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000174850538 524759449 /nfs/dbraw/zinc/75/94/49/524759449.db2.gz CLUOFPJEXUVGIK-HNNXBMFYSA-N 1 0 365.459 1.858 10 5 FDBERO CC[C@H](O)C[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000123538731 524773218 /nfs/dbraw/zinc/77/32/18/524773218.db2.gz GAQRKAQDCQTDAP-AWEZNQCLSA-N 1 0 353.419 1.501 10 5 FDBERO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCOCC1 ZINC000125134282 525150705 /nfs/dbraw/zinc/15/07/05/525150705.db2.gz FKTDIAVINXNQRB-UHFFFAOYSA-N 1 0 357.432 1.521 10 5 FDBERO CCCc1n[nH]c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000176862172 525190163 /nfs/dbraw/zinc/19/01/63/525190163.db2.gz BIDMDZHHZKRQHZ-LBPRGKRZSA-N 1 0 367.450 1.435 10 5 FDBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116786386 525217765 /nfs/dbraw/zinc/21/77/65/525217765.db2.gz ZOTISWTVPTYVOY-OCCSQVGLSA-N 1 0 353.444 1.864 10 5 FDBERO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118859434 525568428 /nfs/dbraw/zinc/56/84/28/525568428.db2.gz ZAOMAUDHLFRJGP-BBRMVZONSA-N 1 0 350.419 1.310 10 5 FDBERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106112858 525602464 /nfs/dbraw/zinc/60/24/64/525602464.db2.gz LKTQZGGOBRPIIQ-HNNXBMFYSA-N 1 0 364.446 1.966 10 5 FDBERO CC[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1CCOC ZINC000106115747 525607678 /nfs/dbraw/zinc/60/76/78/525607678.db2.gz CDQYXPUJKZCNOX-OAHLLOKOSA-N 1 0 364.446 1.884 10 5 FDBERO CCOCC[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000106118059 525609754 /nfs/dbraw/zinc/60/97/54/525609754.db2.gz JHNBJRRHQJIAHF-INIZCTEOSA-N 1 0 364.446 1.626 10 5 FDBERO Cn1cc(CNC[C@@H](O)C[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171050950 525819145 /nfs/dbraw/zinc/81/91/45/525819145.db2.gz DVDJNJUSQRJPRM-GOSISDBHSA-N 1 0 373.457 1.932 10 5 FDBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000181977416 526006013 /nfs/dbraw/zinc/00/60/13/526006013.db2.gz RHSHOHYEHOSVMA-NSHDSACASA-N 1 0 359.329 1.599 10 5 FDBERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182227106 526102051 /nfs/dbraw/zinc/10/20/51/526102051.db2.gz XNOBPBJGNGRQSG-HNNXBMFYSA-N 1 0 360.414 1.948 10 5 FDBERO COc1c(F)cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186986080 536251730 /nfs/dbraw/zinc/25/17/30/536251730.db2.gz BVWSJIDTVGDYIR-WDEREUQCSA-N 1 0 373.406 1.600 10 5 FDBERO COc1cc([N+](=O)[O-])c(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1SC ZINC000263228999 536996705 /nfs/dbraw/zinc/99/67/05/536996705.db2.gz NDOFKQQTEVZAOU-LLVKDONJSA-N 1 0 365.415 1.951 10 5 FDBERO CC[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247003713 537067517 /nfs/dbraw/zinc/06/75/17/537067517.db2.gz VVBITJYLNBSBHE-KBPBESRZSA-N 1 0 350.419 1.310 10 5 FDBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000247472410 537122470 /nfs/dbraw/zinc/12/24/70/537122470.db2.gz VJQXFHUQMIGRNN-IUODEOHRSA-N 1 0 358.402 1.634 10 5 FDBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](Cn2cncn2)C1 ZINC000247590854 537138668 /nfs/dbraw/zinc/13/86/68/537138668.db2.gz JOUHQGMLAUWLGA-UONOGXRCSA-N 1 0 358.402 1.926 10 5 FDBERO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000247605035 537140007 /nfs/dbraw/zinc/14/00/07/537140007.db2.gz LOBMPDTXXIHBOU-IIAWOOMASA-N 1 0 364.446 1.699 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190338384 537165431 /nfs/dbraw/zinc/16/54/31/537165431.db2.gz CWUPQEZJLAZEKR-UKRRQHHQSA-N 1 0 360.414 1.927 10 5 FDBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000248642021 537200226 /nfs/dbraw/zinc/20/02/26/537200226.db2.gz MSCHNAGNPBNOKI-LBPRGKRZSA-N 1 0 362.411 1.612 10 5 FDBERO C[NH2+]CCN(C)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000120476760 671690481 /nfs/dbraw/zinc/69/04/81/671690481.db2.gz DQARIDXZFSENAG-AWEZNQCLSA-N 1 0 370.837 1.680 10 5 FDBERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000157892314 671973971 /nfs/dbraw/zinc/97/39/71/671973971.db2.gz JKCXGGRDULFTLE-WDEREUQCSA-N 1 0 352.416 1.211 10 5 FDBERO CNS(=O)(=O)c1ccc(N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000261774045 672669957 /nfs/dbraw/zinc/66/99/57/672669957.db2.gz XGMIVKKNWADDEF-CQSZACIVSA-N 1 0 356.448 1.822 10 5 FDBERO Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000191977497 178079535 /nfs/dbraw/zinc/07/95/35/178079535.db2.gz XCEQSHROFAZQSV-ZDUSSCGKSA-N 1 0 357.432 1.163 10 5 FDBERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000245450099 178359967 /nfs/dbraw/zinc/35/99/67/178359967.db2.gz OHQFLIBEJLETQR-BZUAXINKSA-N 1 0 352.435 1.822 10 5 FDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000245633021 178372446 /nfs/dbraw/zinc/37/24/46/178372446.db2.gz VHUFCEBCYGESMA-CABCVRRESA-N 1 0 374.441 1.740 10 5 FDBERO O=[N+]([O-])c1cncc(Br)c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261610886 178594277 /nfs/dbraw/zinc/59/42/77/178594277.db2.gz DWSDRGNNLKRIPV-SNVBAGLBSA-N 1 0 356.224 1.236 10 5 FDBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000171705630 258268790 /nfs/dbraw/zinc/26/87/90/258268790.db2.gz MHSIMISRTSHQTR-ZDUSSCGKSA-N 1 0 374.401 1.861 10 5 FDBERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128554949 173113311 /nfs/dbraw/zinc/11/33/11/173113311.db2.gz MFNRTIFKNNDSAX-CYBMUJFWSA-N 1 0 362.365 1.991 10 5 FDBERO CC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000131020259 173188033 /nfs/dbraw/zinc/18/80/33/173188033.db2.gz YIQRRRIMVLMXRW-OAHLLOKOSA-N 1 0 360.414 1.534 10 5 FDBERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177714690 174153465 /nfs/dbraw/zinc/15/34/65/174153465.db2.gz VFRQVGRPOXXLMB-AWEZNQCLSA-N 1 0 350.419 1.958 10 5 FDBERO C[C@@H]1C[C@H]1Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000075721685 522963171 /nfs/dbraw/zinc/96/31/71/522963171.db2.gz PVBZAFJZDCRICX-BXUZGUMPSA-N 1 0 356.448 1.645 10 5 FDBERO Cc1c(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000121830124 524376077 /nfs/dbraw/zinc/37/60/77/524376077.db2.gz CHZVIEZAIFIICV-ZDUSSCGKSA-N 1 0 350.419 1.934 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174344871 524546432 /nfs/dbraw/zinc/54/64/32/524546432.db2.gz KGTZATMCLIEEJA-UONOGXRCSA-N 1 0 351.403 1.277 10 5 FDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000175005365 524831313 /nfs/dbraw/zinc/83/13/13/524831313.db2.gz ZSPAYMRLGGLMPJ-TZMCWYRMSA-N 1 0 374.397 1.588 10 5 FDBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116786384 525216879 /nfs/dbraw/zinc/21/68/79/525216879.db2.gz ZOTISWTVPTYVOY-JSGCOSHPSA-N 1 0 353.444 1.864 10 5 FDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000106098366 525579509 /nfs/dbraw/zinc/57/95/09/525579509.db2.gz JUWGXYAIMJEAKI-QWHCGFSZSA-N 1 0 361.402 1.532 10 5 FDBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000106219545 525678081 /nfs/dbraw/zinc/67/80/81/525678081.db2.gz QPBCQQQZWWKQNA-CQSZACIVSA-N 1 0 374.401 1.861 10 5 FDBERO CC[C@H]1CN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000120719534 526163334 /nfs/dbraw/zinc/16/33/34/526163334.db2.gz CRVCXLRCYBJKER-HIFRSBDPSA-N 1 0 367.446 1.889 10 5 FDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183751981 536043743 /nfs/dbraw/zinc/04/37/43/536043743.db2.gz ONGGMGOIKDUGDM-OAHLLOKOSA-N 1 0 362.430 1.576 10 5 FDBERO CC[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246827704 537034833 /nfs/dbraw/zinc/03/48/33/537034833.db2.gz LOVIKCMANBAEDT-LSDHHAIUSA-N 1 0 364.446 1.335 10 5 FDBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000247296931 537104665 /nfs/dbraw/zinc/10/46/65/537104665.db2.gz LDRQPWOCZGACFE-TZMCWYRMSA-N 1 0 358.402 1.634 10 5 FDBERO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000247592566 537138964 /nfs/dbraw/zinc/13/89/64/537138964.db2.gz JUWGXYAIMJEAKI-STQMWFEESA-N 1 0 361.402 1.532 10 5 FDBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C[C@H](C)O ZINC000247810496 537151678 /nfs/dbraw/zinc/15/16/78/537151678.db2.gz UTMVWMURSPAEKM-XJKSGUPXSA-N 1 0 365.430 1.738 10 5 FDBERO C[N@@+]1(CC2CC2)CC[C@]23c4c5c(O)ccc4C[C@H]1[C@@]2(O)CCC(=O)[C@H]3O5 ZINC000253588120 571269749 /nfs/dbraw/zinc/26/97/49/571269749.db2.gz JVLBPIPGETUEET-NKRQLCBBSA-O 1 0 356.442 1.670 10 5 FDBERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](O)C1 ZINC000702850441 884266622 /nfs/dbraw/zinc/26/66/22/884266622.db2.gz JHVRCDZXQWUWTA-UKRRQHHQSA-N 1 0 351.403 1.912 10 5 FDBERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193449311 178163422 /nfs/dbraw/zinc/16/34/22/178163422.db2.gz NDRHENHVKVISJZ-CMPLNLGQSA-N 1 0 350.400 1.562 10 5 FDBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261843686 178630577 /nfs/dbraw/zinc/63/05/77/178630577.db2.gz LVOMIFSNVZPPGX-NWDGAFQWSA-N 1 0 352.439 1.413 10 5 FDBERO C[NH2+][C@@H](C)CNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000261840960 178630900 /nfs/dbraw/zinc/63/09/00/178630900.db2.gz WFAWEQDIHRZTEF-IINYFYTJSA-N 1 0 370.837 1.727 10 5 FDBERO C[NH2+]C[C@H]1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261873832 178636107 /nfs/dbraw/zinc/63/61/07/178636107.db2.gz LPSAKKLCVKMXGA-GFCCVEGCSA-N 1 0 356.448 1.281 10 5 FDBERO CN1CC[NH2+]C[C@H]1c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000263271502 178887850 /nfs/dbraw/zinc/88/78/50/178887850.db2.gz SGFHRWCKEDZWNZ-AWEZNQCLSA-N 1 0 355.358 1.407 10 5 FDBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000072688193 172047475 /nfs/dbraw/zinc/04/74/75/172047475.db2.gz APOUBGXEICDVRH-HNNXBMFYSA-N 1 0 363.393 1.868 10 5 FDBERO Cc1c(CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000119217847 172742363 /nfs/dbraw/zinc/74/23/63/172742363.db2.gz USCXPKHALZTFHX-CQSZACIVSA-N 1 0 363.458 1.997 10 5 FDBERO CN1CCO[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000130274912 173165267 /nfs/dbraw/zinc/16/52/67/173165267.db2.gz QGWOQNGMCAOERJ-GFCCVEGCSA-N 1 0 372.219 1.347 10 5 FDBERO CC[C@@H](O)C[NH+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000174093393 258318820 /nfs/dbraw/zinc/31/88/20/258318820.db2.gz UWDRTGRIGGQXPH-CQSZACIVSA-N 1 0 353.419 1.371 10 5 FDBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000068223261 523736479 /nfs/dbraw/zinc/73/64/79/523736479.db2.gz XEYSMQNTWCLUAF-CQSZACIVSA-N 1 0 360.418 1.882 10 5 FDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158959583 524561378 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Cc1nnc([C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)[nH]1 ZINC000173679788 258307554 /nfs/dbraw/zinc/30/75/54/258307554.db2.gz UQUKYWSRMYDNKA-OAHLLOKOSA-N 1 0 374.401 1.732 10 5 FDBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261624099 258403804 /nfs/dbraw/zinc/40/38/04/258403804.db2.gz GXVCGAWYPZKGRX-NSHDSACASA-N 1 0 356.224 1.236 10 5 FDBERO Cn1cc([C@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301292591 259025271 /nfs/dbraw/zinc/02/52/71/259025271.db2.gz PYYJTLOXAPNORA-LBPRGKRZSA-N 1 0 357.374 1.051 10 5 FDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113306152 524671180 /nfs/dbraw/zinc/67/11/80/524671180.db2.gz DUQGVJWCDSLPHW-DGCLKSJQSA-N 1 0 355.416 1.461 10 5 FDBERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000106120188 525613383 /nfs/dbraw/zinc/61/33/83/525613383.db2.gz NTZXGVDEHWNWBA-HNNXBMFYSA-N 1 0 364.446 1.966 10 5 FDBERO Cn1cc(CN2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000106154699 525638282 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