smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(Br)cs1 ZINC000052847953 849632780 /nfs/dbraw/zinc/63/27/80/849632780.db2.gz CRDIZNSZEOOHTQ-UHFFFAOYSA-N 0 3 412.309 4.188 20 5 HIBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000054295161 849842425 /nfs/dbraw/zinc/84/24/25/849842425.db2.gz LLDDQUIKKQHGDJ-UHFFFAOYSA-N 0 3 409.486 4.135 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060269513 851057344 /nfs/dbraw/zinc/05/73/44/851057344.db2.gz YTIIMWJMOOOBEK-FQEVSTJZSA-N 0 3 415.465 4.052 20 5 HIBDHN O=C(CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000060482668 851115154 /nfs/dbraw/zinc/11/51/54/851115154.db2.gz WBBJTTYSSNVNHP-UHFFFAOYSA-N 0 3 415.877 4.172 20 5 HIBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065936392 852324909 /nfs/dbraw/zinc/32/49/09/852324909.db2.gz FQDPXLDCWOBGTG-UHFFFAOYSA-N 0 3 416.909 4.027 20 5 HIBDHN COc1ccc(CN2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000105432829 852705502 /nfs/dbraw/zinc/70/55/02/852705502.db2.gz ONSJWMZTXWPWDN-UHFFFAOYSA-N 0 3 420.307 4.078 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000140107918 853434189 /nfs/dbraw/zinc/43/41/89/853434189.db2.gz OYCYAKIAAIRBRH-CQSZACIVSA-N 0 3 405.545 4.020 20 5 HIBDHN CCC(CC)C(=O)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000236937066 853940347 /nfs/dbraw/zinc/94/03/47/853940347.db2.gz FAHQTEOVLAFVJT-UHFFFAOYSA-N 0 3 416.547 4.235 20 5 HIBDHN COc1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc(Br)c1OC ZINC000237103299 853965212 /nfs/dbraw/zinc/96/52/12/853965212.db2.gz ZOCPJSUNIZMWMT-FNORWQNLSA-N 0 3 407.264 4.178 20 5 HIBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000237707572 854079686 /nfs/dbraw/zinc/07/96/86/854079686.db2.gz CCMNNVWKSZIEGK-CYBMUJFWSA-N 0 3 400.788 4.031 20 5 HIBDHN Cn1cc(CNCc2ccc(Br)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931288 854120857 /nfs/dbraw/zinc/12/08/57/854120857.db2.gz NMDPYBHJQITXQG-UHFFFAOYSA-N 0 3 419.254 4.187 20 5 HIBDHN O=[N+]([O-])c1cc(CNCCOC[C@@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000237929925 854120876 /nfs/dbraw/zinc/12/08/76/854120876.db2.gz LFNHTSPHUUKGBU-INIZCTEOSA-N 0 3 406.866 4.326 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cnn(-c4ccccc4)c3)cs2)c1 ZINC000238006787 854133070 /nfs/dbraw/zinc/13/30/70/854133070.db2.gz COWKFYKYFUOOLZ-UHFFFAOYSA-N 0 3 405.483 4.236 20 5 HIBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000251223124 854197501 /nfs/dbraw/zinc/19/75/01/854197501.db2.gz IOIXGUQQEGATMY-DNVCBOLYSA-N 0 3 400.866 4.396 20 5 HIBDHN COC(=O)c1cc([N+](=O)[O-])c(NC2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000301368209 854372630 /nfs/dbraw/zinc/37/26/30/854372630.db2.gz TWFPEYOLZGSNIR-UHFFFAOYSA-N 0 3 403.866 4.111 20 5 HIBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000302667998 854600746 /nfs/dbraw/zinc/60/07/46/854600746.db2.gz RHCUWMBXGMOSFT-ROUUACIJSA-N 0 3 424.545 4.069 20 5 HIBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426236378 856193572 /nfs/dbraw/zinc/19/35/72/856193572.db2.gz FZHQIYJNTIVZRT-LJQANCHMSA-N 0 3 414.531 4.167 20 5 HIBDHN COCC(C)(C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000427842565 856977461 /nfs/dbraw/zinc/97/74/61/856977461.db2.gz RWJVVKLOZNGSBY-GOSISDBHSA-N 0 3 405.882 4.190 20 5 HIBDHN CC(C)(NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431871224 858848908 /nfs/dbraw/zinc/84/89/08/858848908.db2.gz PNZBTKFORFXHTF-KRWDZBQOSA-N 0 3 402.520 4.028 20 5 HIBDHN C[C@H](SCCN(C)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433022503 859483460 /nfs/dbraw/zinc/48/34/60/859483460.db2.gz VTBHALPOPXYVCW-AWEZNQCLSA-N 0 3 407.923 4.440 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302345 859625831 /nfs/dbraw/zinc/62/58/31/859625831.db2.gz IUJDXMCFJLXNNO-OAHLLOKOSA-N 0 3 403.866 4.075 20 5 HIBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000434311615 860273748 /nfs/dbraw/zinc/27/37/48/860273748.db2.gz HRIBWVCSPCFZJT-IBGZPJMESA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000434316637 860276813 /nfs/dbraw/zinc/27/68/13/860276813.db2.gz NFTYMRIVXKEUNX-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679815 860456999 /nfs/dbraw/zinc/45/69/99/860456999.db2.gz QRKCHQPJQUXAEK-HNNXBMFYSA-N 0 3 422.489 4.118 20 5 HIBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435283454 860718163 /nfs/dbraw/zinc/71/81/63/860718163.db2.gz XXLUAZBSZAAQOR-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN C[S@](=O)C1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000435750032 861030784 /nfs/dbraw/zinc/03/07/84/861030784.db2.gz WHEGNXPFJVWFDI-MHZLTWQESA-N 0 3 408.907 4.431 20 5 HIBDHN C[C@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467860481 881712767 /nfs/dbraw/zinc/71/27/67/881712767.db2.gz ANQGRTOTHOUIIV-HNNXBMFYSA-N 0 3 422.451 4.216 20 5 HIBDHN COc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071806 867809944 /nfs/dbraw/zinc/80/99/44/867809944.db2.gz QPRREAFBTFDBJW-UZLBHIALSA-N 0 3 400.475 4.182 20 5 HIBDHN COc1ccc([C@H](CNc2cc(C)nc3c2cccc3[N+](=O)[O-])N(C)C)cc1OC ZINC000443442308 868028154 /nfs/dbraw/zinc/02/81/54/868028154.db2.gz CIOOJGZRGQKBJL-IBGZPJMESA-N 0 3 410.474 4.183 20 5 HIBDHN COc1ccc([C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000443945949 868482625 /nfs/dbraw/zinc/48/26/25/868482625.db2.gz KTUDKMKTZWRIHZ-HXUWFJFHSA-N 0 3 412.490 4.179 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000443974709 868503598 /nfs/dbraw/zinc/50/35/98/868503598.db2.gz WCZJJYUPMFDVET-FQEVSTJZSA-N 0 3 414.506 4.425 20 5 HIBDHN COc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531645 871395786 /nfs/dbraw/zinc/39/57/86/871395786.db2.gz SBIUZFCZDHUWNU-MOPGFXCFSA-N 0 3 414.506 4.395 20 5 HIBDHN COc1cccc(Oc2ncccc2CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543789 871412643 /nfs/dbraw/zinc/41/26/43/871412643.db2.gz MIXTXBKCYNROQW-WOJBJXKFSA-N 0 3 423.473 4.261 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561624 871455115 /nfs/dbraw/zinc/45/51/15/871455115.db2.gz IUKXVHKCGICLOL-APWZRJJASA-N 0 3 410.392 4.021 20 5 HIBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1C ZINC000470155584 884428657 /nfs/dbraw/zinc/42/86/57/884428657.db2.gz ZOGUFBAYVIXXMV-SMDDNHRTSA-N 0 3 423.263 4.001 20 5 HIBDHN COc1cc(CNCC[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000503935560 912871440 /nfs/dbraw/zinc/87/14/40/912871440.db2.gz GNPTUOMFDLDBRV-LJQANCHMSA-N 0 3 400.475 4.231 20 5 HIBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cccc(C(F)F)c4)CC3)nc2c1 ZINC000470776236 885244676 /nfs/dbraw/zinc/24/46/76/885244676.db2.gz GFMCVWDZBRYLPB-UHFFFAOYSA-N 0 3 401.417 4.121 20 5 HIBDHN CC(C)c1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000473525390 888262437 /nfs/dbraw/zinc/26/24/37/888262437.db2.gz WOIWILUHTAYQSU-UHFFFAOYSA-N 0 3 413.440 4.253 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2ccc(Br)cc2)CC1 ZINC000477434272 892385916 /nfs/dbraw/zinc/38/59/16/892385916.db2.gz ACILNTWTGYVMDS-UHFFFAOYSA-N 0 3 418.291 4.273 20 5 HIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923260 893010718 /nfs/dbraw/zinc/01/07/18/893010718.db2.gz OFUVAIVSMWLBMN-HXOBKFHXSA-N 0 3 412.436 4.403 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000479892942 895238828 /nfs/dbraw/zinc/23/88/28/895238828.db2.gz OVTPBJIQSWMDGX-ZDUSSCGKSA-N 0 3 408.271 4.113 20 5 HIBDHN O=[N+]([O-])c1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(OC(F)F)c1 ZINC000480551328 895911845 /nfs/dbraw/zinc/91/18/45/895911845.db2.gz KHTZGHRJTVCFLZ-UHFFFAOYSA-N 0 3 409.355 4.413 20 5 HIBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000480562788 895923475 /nfs/dbraw/zinc/92/34/75/895923475.db2.gz YRPVZNJODRAIIS-UHFFFAOYSA-N 0 3 412.334 4.226 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000481756000 897146071 /nfs/dbraw/zinc/14/60/71/897146071.db2.gz MDJXVHNBIMRRRE-UHFFFAOYSA-N 0 3 415.877 4.375 20 5 HIBDHN CC(=O)N[C@H](C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000482516688 898103822 /nfs/dbraw/zinc/10/38/22/898103822.db2.gz CHVQGCBEIUGXHS-CYBMUJFWSA-N 0 3 405.882 4.245 20 5 HIBDHN C[C@@H](OC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830265 904274105 /nfs/dbraw/zinc/27/41/05/904274105.db2.gz WNSNEIVCVFASNW-QVKFZJNVSA-N 0 3 404.894 4.351 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960267 904968092 /nfs/dbraw/zinc/96/80/92/904968092.db2.gz LUYQVWKJJAEBDR-OALUTQOASA-N 0 3 410.518 4.270 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000493109195 905023159 /nfs/dbraw/zinc/02/31/59/905023159.db2.gz ZESFHTIAIAKCQL-INIZCTEOSA-N 0 3 418.925 4.391 20 5 HIBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000493560479 905162808 /nfs/dbraw/zinc/16/28/08/905162808.db2.gz XCTFUEFPRNWACT-LIRRHRJNSA-N 0 3 415.877 4.207 20 5 HIBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000493579607 905168770 /nfs/dbraw/zinc/16/87/70/905168770.db2.gz OVUSTYWYVHVGLO-UHFFFAOYSA-N 0 3 405.907 4.225 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000497636527 907120168 /nfs/dbraw/zinc/12/01/68/907120168.db2.gz DPSGWGLEKBSDNR-IBGZPJMESA-N 0 3 401.894 4.451 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000498040381 907545909 /nfs/dbraw/zinc/54/59/09/907545909.db2.gz VXIQADKBDAQGMT-GOSISDBHSA-N 0 3 405.882 4.070 20 5 HIBDHN CC1CCN(c2ccc(C(=O)N(CCN(C)C)Cc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000500409746 909840893 /nfs/dbraw/zinc/84/08/93/909840893.db2.gz HZXRTSBODNRWBH-UHFFFAOYSA-N 0 3 424.545 4.035 20 5 HIBDHN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1Cc1ccccc1 ZINC000501607167 910711410 /nfs/dbraw/zinc/71/14/10/910711410.db2.gz ZNZPXDLNMVLIQB-FQEVSTJZSA-N 0 3 421.419 4.398 20 5 HIBDHN C[C@@H]1COCC[C@@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266687 916030009 /nfs/dbraw/zinc/03/00/09/916030009.db2.gz KDQQTNOLQJYBFM-AKCHCHLHSA-N 0 3 417.893 4.190 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000509763169 918377196 /nfs/dbraw/zinc/37/71/96/918377196.db2.gz QISNAHJCHUEFRH-WIYYLYMNSA-N 0 3 410.518 4.350 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCC1CCOCC1)c1ccccc1 ZINC000512232633 920986017 /nfs/dbraw/zinc/98/60/17/920986017.db2.gz CVOANMKOTLFWFO-HXUWFJFHSA-N 0 3 417.893 4.334 20 5 HIBDHN CN(c1ccccc1)c1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000512359083 921101663 /nfs/dbraw/zinc/10/16/63/921101663.db2.gz AQCGNCFPPPHIHT-NZQKXSOJSA-N 0 3 404.470 4.378 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3nccs3)o2)c(Br)c1 ZINC000517545879 924256879 /nfs/dbraw/zinc/25/68/79/924256879.db2.gz FMJHPTIBUGRDPF-UHFFFAOYSA-N 0 3 408.277 4.406 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000518450764 927282257 /nfs/dbraw/zinc/28/22/57/927282257.db2.gz UBJYYGLIIUOUDM-INIZCTEOSA-N 0 3 405.445 4.026 20 5 HIBDHN COc1ccc(-c2ccc(CNCCn3c(C)nc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000520208819 928389298 /nfs/dbraw/zinc/38/92/98/928389298.db2.gz OMQXFUPGULGXOG-UHFFFAOYSA-N 0 3 406.442 4.311 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354440 930192531 /nfs/dbraw/zinc/19/25/31/930192531.db2.gz JJUQNHCPMRFSNI-GHTZIAJQSA-N 0 3 410.518 4.052 20 5 HIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000530857038 930841671 /nfs/dbraw/zinc/84/16/71/930841671.db2.gz JHQIECCGGSITNU-HXUWFJFHSA-N 0 3 416.909 4.199 20 5 HIBDHN CCC(=O)N1CC[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531630559 931132414 /nfs/dbraw/zinc/13/24/14/931132414.db2.gz GBAVPXNRPTWVEB-HNNXBMFYSA-N 0 3 403.866 4.141 20 5 HIBDHN CC[C@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N(C)C ZINC000531709660 931168762 /nfs/dbraw/zinc/16/87/62/931168762.db2.gz MTEUCRYVPZEDLT-MRXNPFEDSA-N 0 3 409.845 4.136 20 5 HIBDHN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000533188368 931804862 /nfs/dbraw/zinc/80/48/62/931804862.db2.gz NGFUCRODNGYETQ-UHFFFAOYSA-N 0 3 416.485 4.051 20 5 HIBDHN C[C@H]1SCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000533289318 931829244 /nfs/dbraw/zinc/82/92/44/931829244.db2.gz DOSPYXKUASYOFN-QRWLVFNGSA-N 0 3 413.499 4.071 20 5 HIBDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000537626859 938338546 /nfs/dbraw/zinc/33/85/46/938338546.db2.gz GQZZSCWFCGVRNK-MRXNPFEDSA-N 0 3 404.850 4.283 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000538788103 938711603 /nfs/dbraw/zinc/71/16/03/938711603.db2.gz KFOSZFTUPWTTNM-ZIAGYGMSSA-N 0 3 401.438 4.079 20 5 HIBDHN COC(=O)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000539713037 938909478 /nfs/dbraw/zinc/90/94/78/938909478.db2.gz QCYTWXNQCLNNJP-UHFFFAOYSA-N 0 3 423.263 4.193 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540066477 939056585 /nfs/dbraw/zinc/05/65/85/939056585.db2.gz JVZLJYQGWZPQJV-NRFANRHFSA-N 0 3 416.481 4.224 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000541555013 939554312 /nfs/dbraw/zinc/55/43/12/939554312.db2.gz GRZQXUYPJHDRFZ-ZDUSSCGKSA-N 0 3 402.800 4.208 20 5 HIBDHN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000542142414 939728377 /nfs/dbraw/zinc/72/83/77/939728377.db2.gz MOPIVNDARFAEIR-GJZGRUSLSA-N 0 3 410.474 4.011 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000544464615 940442399 /nfs/dbraw/zinc/44/23/99/940442399.db2.gz WRZXZQSYRIGSFG-VFNWGFHPSA-N 0 3 417.481 4.045 20 5 HIBDHN COc1cc(CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000544515653 940467755 /nfs/dbraw/zinc/46/77/55/940467755.db2.gz MQPPHOHXUMIXOA-CLUVUEOHSA-N 0 3 408.401 4.248 20 5 HIBDHN C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000545148831 940551205 /nfs/dbraw/zinc/55/12/05/940551205.db2.gz VENFFSDDVIYOBL-KRWDZBQOSA-N 0 3 413.493 4.135 20 5 HIBDHN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@]12CCCO2 ZINC000545548601 940574280 /nfs/dbraw/zinc/57/42/80/940574280.db2.gz UZSWFYSFFJIJFN-ZCNNSNEGSA-N 0 3 406.866 4.324 20 5 HIBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000546761238 940878507 /nfs/dbraw/zinc/87/85/07/940878507.db2.gz XPXBVMCRCFJFRW-OXQOHEQNSA-N 0 3 406.866 4.324 20 5 HIBDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000554015889 942019909 /nfs/dbraw/zinc/01/99/09/942019909.db2.gz KMHGBZYWOWHDTM-BTYIYWSLSA-N 0 3 417.481 4.044 20 5 HIBDHN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554878834 942305942 /nfs/dbraw/zinc/30/59/42/942305942.db2.gz GYHIQJKPJUEZKA-HXUWFJFHSA-N 0 3 408.506 4.453 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccncc2OCc2ccccc2)n1 ZINC000556912357 942963141 /nfs/dbraw/zinc/96/31/41/942963141.db2.gz RHPLADUMQUGOIA-PMACEKPBSA-N 0 3 407.474 4.039 20 5 HIBDHN Cc1c(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000558222941 943442064 /nfs/dbraw/zinc/44/20/64/943442064.db2.gz UKDJZMUXDOFTHL-FQEVSTJZSA-N 0 3 400.479 4.115 20 5 HIBDHN COc1ccccc1[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000566862539 946134268 /nfs/dbraw/zinc/13/42/68/946134268.db2.gz JQTQCLPVYJXTIW-MRXNPFEDSA-N 0 3 413.503 4.247 20 5 HIBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422360 947236328 /nfs/dbraw/zinc/23/63/28/947236328.db2.gz SXABXAPCTCYKPA-SMDDNHRTSA-N 0 3 412.393 4.040 20 5 HIBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422358 947236345 /nfs/dbraw/zinc/23/63/45/947236345.db2.gz SXABXAPCTCYKPA-FZMZJTMJSA-N 0 3 412.393 4.040 20 5 HIBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422357 947236594 /nfs/dbraw/zinc/23/65/94/947236594.db2.gz SXABXAPCTCYKPA-BXUZGUMPSA-N 0 3 412.393 4.040 20 5 HIBDHN C[C@@H](Cc1ccc(F)cc1Br)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571687067 947747135 /nfs/dbraw/zinc/74/71/35/947747135.db2.gz NFZJWZJFRVTMQY-JTQLQIEISA-N 0 3 407.243 4.094 20 5 HIBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000574183950 948380673 /nfs/dbraw/zinc/38/06/73/948380673.db2.gz QSRAYMYOJOPGPA-MRXNPFEDSA-N 0 3 405.564 4.433 20 5 HIBDHN Cc1c(NC(=O)CCN(C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255509 846948476 /nfs/dbraw/zinc/94/84/76/846948476.db2.gz GOGYWMXVIUEPER-UHFFFAOYSA-N 0 3 411.380 4.262 20 5 HIBDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000026300547 847120513 /nfs/dbraw/zinc/12/05/13/847120513.db2.gz HHOCIZHCWBKDFV-QRWLVFNGSA-N 0 3 401.532 4.057 20 5 HIBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026644939 847180022 /nfs/dbraw/zinc/18/00/22/847180022.db2.gz KAMXWSFXSPRWPC-UHFFFAOYSA-N 0 3 409.486 4.135 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000027110321 847249094 /nfs/dbraw/zinc/24/90/94/847249094.db2.gz CGIVMVRJFWIUQM-GOSISDBHSA-N 0 3 403.866 4.423 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987083 847975716 /nfs/dbraw/zinc/97/57/16/847975716.db2.gz OVCHMFZCPYZBDW-KDOFPFPSSA-N 0 3 407.561 4.336 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987085 847975960 /nfs/dbraw/zinc/97/59/60/847975960.db2.gz OVCHMFZCPYZBDW-RDTXWAMCSA-N 0 3 407.561 4.336 20 5 HIBDHN O=C(CCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000052823785 849631727 /nfs/dbraw/zinc/63/17/27/849631727.db2.gz FTNDRVJVUPVHQJ-UHFFFAOYSA-N 0 3 408.433 4.333 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060269509 851057519 /nfs/dbraw/zinc/05/75/19/851057519.db2.gz NXIWYVBVHHHKNJ-FQEVSTJZSA-N 0 3 415.465 4.052 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065087061 852059516 /nfs/dbraw/zinc/05/95/16/852059516.db2.gz JNJKWODTBAFQCG-FQEVSTJZSA-N 0 3 422.510 4.285 20 5 HIBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065984143 852340302 /nfs/dbraw/zinc/34/03/02/852340302.db2.gz ATLJYGRPZHKVQN-UHFFFAOYSA-N 0 3 410.396 4.209 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006503 852462109 /nfs/dbraw/zinc/46/21/09/852462109.db2.gz IIQGAEWTNZQXED-FQEVSTJZSA-N 0 3 401.894 4.451 20 5 HIBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000096993954 852570588 /nfs/dbraw/zinc/57/05/88/852570588.db2.gz TYLACGVNFXIDKF-AWEZNQCLSA-N 0 3 405.380 4.036 20 5 HIBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000195685858 853758160 /nfs/dbraw/zinc/75/81/60/853758160.db2.gz KWHQSLMJQWRNFQ-UHFFFAOYSA-N 0 3 410.396 4.209 20 5 HIBDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237015828 853951400 /nfs/dbraw/zinc/95/14/00/853951400.db2.gz JYSFHDXOBGFDFE-LJQANCHMSA-N 0 3 409.511 4.112 20 5 HIBDHN COc1cc(CNCCc2c(C)noc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237191741 853978864 /nfs/dbraw/zinc/97/88/64/853978864.db2.gz QZZKVMFXGFXJGX-UHFFFAOYSA-N 0 3 411.458 4.120 20 5 HIBDHN COC(=O)COc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000237194233 853979373 /nfs/dbraw/zinc/97/93/73/853979373.db2.gz MEJCVEITIIKSHH-UHFFFAOYSA-N 0 3 412.467 4.165 20 5 HIBDHN COc1ccc(-c2ccc(CNC[C@@H](c3cccs3)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237429904 854031308 /nfs/dbraw/zinc/03/13/08/854031308.db2.gz SPSWBVLQIMQFDK-SFHVURJKSA-N 0 3 401.488 4.317 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(CC(F)(F)F)C3)o2)c(Cl)c1 ZINC000237868506 854111719 /nfs/dbraw/zinc/11/17/19/854111719.db2.gz IAQZTIUSVSBVFV-NSHDSACASA-N 0 3 403.788 4.234 20 5 HIBDHN Cc1nc2n(n1)C[C@H](NCc1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2 ZINC000237968041 854127334 /nfs/dbraw/zinc/12/73/34/854127334.db2.gz BEEWKHVQOJWKDZ-QGZVFWFLSA-N 0 3 409.515 4.059 20 5 HIBDHN O=[N+]([O-])c1cc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)cs1 ZINC000237996705 854130853 /nfs/dbraw/zinc/13/08/53/854130853.db2.gz MLYHOQLBTFTWAF-UHFFFAOYSA-N 0 3 422.554 4.268 20 5 HIBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2CN2CCCCCC2)s1 ZINC000301933473 854496897 /nfs/dbraw/zinc/49/68/97/854496897.db2.gz NKLYUYMIPVWQLG-UHFFFAOYSA-N 0 3 423.560 4.048 20 5 HIBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CC(c4ccc(Br)cc4)C3)nc2c1 ZINC000425996656 856036932 /nfs/dbraw/zinc/03/69/32/856036932.db2.gz RSQQJJIDFKWIRJ-UHFFFAOYSA-N 0 3 401.264 4.269 20 5 HIBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000426562414 856349777 /nfs/dbraw/zinc/34/97/77/856349777.db2.gz RZXBKECBKUSJBV-HNNXBMFYSA-N 0 3 419.909 4.193 20 5 HIBDHN CC[C@]1(CO)CCCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428459547 857209026 /nfs/dbraw/zinc/20/90/26/857209026.db2.gz MMBKOYQIBZANHQ-QHCPKHFHSA-N 0 3 414.502 4.167 20 5 HIBDHN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000437589175 862903435 /nfs/dbraw/zinc/90/34/35/862903435.db2.gz CWTGLPMWEHSWJP-OAHLLOKOSA-N 0 3 402.882 4.377 20 5 HIBDHN CC1(C)C[C@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307127 859629077 /nfs/dbraw/zinc/62/90/77/859629077.db2.gz UNNPNKLJFMFWPL-AVRDEDQJSA-N 0 3 407.514 4.141 20 5 HIBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000434336556 860297605 /nfs/dbraw/zinc/29/76/05/860297605.db2.gz ZKTXEGJYLHGKLV-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435301398 860727506 /nfs/dbraw/zinc/72/75/06/860727506.db2.gz YDPZTYRNFGPGAM-IBGZPJMESA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435301399 860727726 /nfs/dbraw/zinc/72/77/26/860727726.db2.gz YDPZTYRNFGPGAM-LJQANCHMSA-N 0 3 419.485 4.107 20 5 HIBDHN CC[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000437935586 863310592 /nfs/dbraw/zinc/31/05/92/863310592.db2.gz SJYOZKHLUHLSOJ-OAQYLSRUSA-N 0 3 422.529 4.106 20 5 HIBDHN COCCO[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000438547841 863976558 /nfs/dbraw/zinc/97/65/58/863976558.db2.gz UBYSSYQAXMOTMV-SFHVURJKSA-N 0 3 406.866 4.278 20 5 HIBDHN Cc1ccc(Sc2ccc(CN(C)CC3(O)CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000438551541 863981724 /nfs/dbraw/zinc/98/17/24/863981724.db2.gz FCTISRXGTSSQOF-UHFFFAOYSA-N 0 3 402.516 4.028 20 5 HIBDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000438559264 863991987 /nfs/dbraw/zinc/99/19/87/863991987.db2.gz XMZKYBPJPUUZEA-UHFFFAOYSA-N 0 3 422.957 4.019 20 5 HIBDHN Cn1cc(CN2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443067333 867808704 /nfs/dbraw/zinc/80/87/04/867808704.db2.gz IZKJEJCQEZYOHB-ICPLQIHGSA-N 0 3 410.518 4.165 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529183 871392235 /nfs/dbraw/zinc/39/22/35/871392235.db2.gz KUEDAKKYQCIQEX-APWZRJJASA-N 0 3 410.392 4.021 20 5 HIBDHN COCCOc1ccc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530068 871395888 /nfs/dbraw/zinc/39/58/88/871395888.db2.gz NDSLVARWRYMRRC-MGPUTAFESA-N 0 3 400.475 4.357 20 5 HIBDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886227 871801192 /nfs/dbraw/zinc/80/11/92/871801192.db2.gz OTIOKJLAYFPDIZ-AVYPCKFXSA-N 0 3 417.893 4.333 20 5 HIBDHN COCC[C@@H]1CCCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468697518 882819287 /nfs/dbraw/zinc/81/92/87/882819287.db2.gz SZBOMPXDDZNNLN-AWEZNQCLSA-N 0 3 420.428 4.183 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462158498 875254203 /nfs/dbraw/zinc/25/42/03/875254203.db2.gz LXZDPGYXLJSYMQ-OXJNMPFZSA-N 0 3 413.543 4.346 20 5 HIBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551170 875675115 /nfs/dbraw/zinc/67/51/15/875675115.db2.gz MKLDRZZLRSQUFK-KKSFZXQISA-N 0 3 408.527 4.328 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000462752491 875818258 /nfs/dbraw/zinc/81/82/58/875818258.db2.gz AKPNUTNRVGMFFG-IEBWSBKVSA-N 0 3 401.532 4.178 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161217 876215561 /nfs/dbraw/zinc/21/55/61/876215561.db2.gz MXFZTKUMMICTHI-BBRMVZONSA-N 0 3 407.392 4.179 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000464778133 878022324 /nfs/dbraw/zinc/02/23/24/878022324.db2.gz QWOVITXZECBPDF-HXUWFJFHSA-N 0 3 422.481 4.031 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000466571222 880347131 /nfs/dbraw/zinc/34/71/31/880347131.db2.gz BSTGRWXZUOISRR-QGZVFWFLSA-N 0 3 410.927 4.192 20 5 HIBDHN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccccc1)N(C)C ZINC000503526612 912576653 /nfs/dbraw/zinc/57/66/53/912576653.db2.gz GZAZIYQOQHUKFE-FZKQIMNGSA-N 0 3 424.423 4.104 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473519603 888252344 /nfs/dbraw/zinc/25/23/44/888252344.db2.gz BUTBKQOXWSTKLS-UHFFFAOYSA-N 0 3 419.831 4.092 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474363766 889242001 /nfs/dbraw/zinc/24/20/01/889242001.db2.gz WZRWYEGBDBNKFX-QFIPXVFZSA-N 0 3 416.449 4.307 20 5 HIBDHN COC(=O)COc1ccc(CNC2(c3ccc(Cl)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000474367629 889246380 /nfs/dbraw/zinc/24/63/80/889246380.db2.gz FTPJZTLRBVQVRV-UHFFFAOYSA-N 0 3 418.877 4.359 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@]3(CO)Cc3ccccc3)cs2)c1 ZINC000475375182 890303786 /nfs/dbraw/zinc/30/37/86/890303786.db2.gz OZUJJEQHIJNHIV-QFIPXVFZSA-N 0 3 409.511 4.288 20 5 HIBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000478941140 894223006 /nfs/dbraw/zinc/22/30/06/894223006.db2.gz STAQPMDHGUIEHY-LJQANCHMSA-N 0 3 401.532 4.376 20 5 HIBDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496670 898077616 /nfs/dbraw/zinc/07/76/16/898077616.db2.gz RWYKYFOTBCFLJZ-ZBFHGGJFSA-N 0 3 422.865 4.051 20 5 HIBDHN CCN1CCN(c2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CC1 ZINC000483823690 899501125 /nfs/dbraw/zinc/50/11/25/899501125.db2.gz QAFCSXXVLLTPJO-UHFFFAOYSA-N 0 3 423.542 4.472 20 5 HIBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)c1 ZINC000484298614 899861255 /nfs/dbraw/zinc/86/12/55/899861255.db2.gz UWBCDYPMWLCCOP-UHFFFAOYSA-N 0 3 415.515 4.066 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486466374 901627818 /nfs/dbraw/zinc/62/78/18/901627818.db2.gz XBHXJYLQCUAHSX-RQPNIASVSA-N 0 3 408.502 4.387 20 5 HIBDHN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000488083669 902590810 /nfs/dbraw/zinc/59/08/10/902590810.db2.gz PPQMIPFFOXMWID-SFHVURJKSA-N 0 3 411.527 4.446 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000489967471 903701402 /nfs/dbraw/zinc/70/14/02/903701402.db2.gz YPHJDADLJASHLM-IBGZPJMESA-N 0 3 419.909 4.377 20 5 HIBDHN COc1ccc(CNC(=O)C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000490026799 903729969 /nfs/dbraw/zinc/72/99/69/903729969.db2.gz AJRDLXMFVVBBSS-KRWDZBQOSA-N 0 3 411.502 4.001 20 5 HIBDHN Cc1c(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491541818 904643423 /nfs/dbraw/zinc/64/34/23/904643423.db2.gz VZUWZKHBLUUSBW-IBGZPJMESA-N 0 3 407.392 4.296 20 5 HIBDHN CCOc1cc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000491603990 904670958 /nfs/dbraw/zinc/67/09/58/904670958.db2.gz IBBWKSUUUXRMCD-SFHVURJKSA-N 0 3 407.474 4.158 20 5 HIBDHN CCOc1cc(CNC(C)(C)COc2ncccc2Br)ccc1[N+](=O)[O-] ZINC000492721850 904893403 /nfs/dbraw/zinc/89/34/03/904893403.db2.gz LOMZWPQGXDSMJD-UHFFFAOYSA-N 0 3 424.295 4.098 20 5 HIBDHN NC(=O)CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Cc1ccccc1 ZINC000506257640 914868288 /nfs/dbraw/zinc/86/82/88/914868288.db2.gz DUYYITIPAOJOQM-UHFFFAOYSA-N 0 3 413.861 4.386 20 5 HIBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345117 905092682 /nfs/dbraw/zinc/09/26/82/905092682.db2.gz VVWXZARUMMHFDQ-JXFKEZNVSA-N 0 3 411.527 4.221 20 5 HIBDHN CCc1cc(N2CCC[C@H](N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037370 905378919 /nfs/dbraw/zinc/37/89/19/905378919.db2.gz GTAMRPWTIDMUCI-XUZZJYLKSA-N 0 3 417.513 4.295 20 5 HIBDHN Cc1ccnc(-c2nnc([C@H](C)[NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])[n-]2)c1 ZINC000494375487 905672210 /nfs/dbraw/zinc/67/22/10/905672210.db2.gz QEDHAUXVJYJLDH-BQFCYCMXSA-N 0 3 406.490 4.145 20 5 HIBDHN COc1ccccc1NC(=O)C[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494452683 905735430 /nfs/dbraw/zinc/73/54/30/905735430.db2.gz OSNYNDHMTSQBCO-LBPRGKRZSA-N 0 3 411.380 4.129 20 5 HIBDHN COc1cc(CN[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494678733 905895629 /nfs/dbraw/zinc/89/56/29/905895629.db2.gz FVGIMNVIHLEUFI-INIZCTEOSA-N 0 3 421.444 4.006 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000498040382 907545323 /nfs/dbraw/zinc/54/53/23/907545323.db2.gz VXIQADKBDAQGMT-SFHVURJKSA-N 0 3 405.882 4.070 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846294 910121076 /nfs/dbraw/zinc/12/10/76/910121076.db2.gz YZDSQJYFKDOWFC-CRAIPNDOSA-N 0 3 422.510 4.284 20 5 HIBDHN CCN(CC)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccsc1 ZINC000513181607 921606124 /nfs/dbraw/zinc/60/61/24/921606124.db2.gz ACRFUQLRWGUFMY-LJQANCHMSA-N 0 3 402.520 4.044 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2noc([C@H]3CN(Cc4ccccc4)CCC3(F)F)n2)c1 ZINC000508042989 916872419 /nfs/dbraw/zinc/87/24/19/916872419.db2.gz SDMPOTINOOPNCX-QGZVFWFLSA-N 0 3 400.385 4.270 20 5 HIBDHN C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570288 917343084 /nfs/dbraw/zinc/34/30/84/917343084.db2.gz PDEVIYCQJJSYRV-MGPUTAFESA-N 0 3 421.419 4.227 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 ZINC000508843190 917594896 /nfs/dbraw/zinc/59/48/96/917594896.db2.gz SJWJGSKFKWEBOT-HSZRJFAPSA-N 0 3 412.486 4.196 20 5 HIBDHN Cc1ccc2nccc(N3CCCN(c4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)c2c1 ZINC000509927799 918527753 /nfs/dbraw/zinc/52/77/53/918527753.db2.gz QITZXKOXUQDNBI-UHFFFAOYSA-N 0 3 402.458 4.044 20 5 HIBDHN Cn1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511646492 920314977 /nfs/dbraw/zinc/31/49/77/920314977.db2.gz HHZMZDUMXLTCIX-JOCHJYFZSA-N 0 3 406.486 4.177 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(c4nccs4)CC3)s2)cc1 ZINC000511765079 920449936 /nfs/dbraw/zinc/44/99/36/920449936.db2.gz LSRLCGCLRBMTMV-UHFFFAOYSA-N 0 3 400.529 4.492 20 5 HIBDHN CC1CCN([C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000514339006 922600293 /nfs/dbraw/zinc/60/02/93/922600293.db2.gz WZYOHLLQZZOQAZ-LJQANCHMSA-N 0 3 416.547 4.048 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000515018223 922880158 /nfs/dbraw/zinc/88/01/58/922880158.db2.gz BTAKRQMYYMGVAC-UHFFFAOYSA-N 0 3 406.364 4.348 20 5 HIBDHN COc1ccccc1[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCCCC1 ZINC000515502886 923136362 /nfs/dbraw/zinc/13/63/62/923136362.db2.gz QSPOSGIYFKTUPG-NRFANRHFSA-N 0 3 424.501 4.127 20 5 HIBDHN COc1cccc(C[C@H]2CCCN2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000515502547 923137334 /nfs/dbraw/zinc/13/73/34/923137334.db2.gz AGAAQRQMTFZFJL-MRXNPFEDSA-N 0 3 422.428 4.421 20 5 HIBDHN CS(=O)(=O)Cc1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000518273959 927131361 /nfs/dbraw/zinc/13/13/61/927131361.db2.gz QHMXSWFEJRDYFG-UHFFFAOYSA-N 0 3 416.524 4.158 20 5 HIBDHN CC1(C)CN(CCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000520958753 928889503 /nfs/dbraw/zinc/88/95/03/928889503.db2.gz GMMNJVAXCSYKLL-UHFFFAOYSA-N 0 3 419.909 4.241 20 5 HIBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC[C@H](OCCO)C2)cc1 ZINC000526120840 930539528 /nfs/dbraw/zinc/53/95/28/930539528.db2.gz YXSAFOBCLUNQTH-SFHVURJKSA-N 0 3 406.866 4.014 20 5 HIBDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933785 930862215 /nfs/dbraw/zinc/86/22/15/930862215.db2.gz RCWNHWFEXDUDSS-AZMQUPJVSA-N 0 3 406.504 4.033 20 5 HIBDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933788 930862271 /nfs/dbraw/zinc/86/22/71/930862271.db2.gz RCWNHWFEXDUDSS-PLKVCZNGSA-N 0 3 406.504 4.033 20 5 HIBDHN CCC[C@@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531951790 931262093 /nfs/dbraw/zinc/26/20/93/931262093.db2.gz CBGAJOLPADWVII-OAQYLSRUSA-N 0 3 419.547 4.054 20 5 HIBDHN COc1ccc(CN[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532615620 931555126 /nfs/dbraw/zinc/55/51/26/931555126.db2.gz FSLYURFLUGDKDL-OPAMFIHVSA-N 0 3 400.475 4.018 20 5 HIBDHN Cc1c(NC(=O)CCN2CCC(Oc3ccc(F)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000532919284 931694781 /nfs/dbraw/zinc/69/47/81/931694781.db2.gz VEENWECPPHVMOR-UHFFFAOYSA-N 0 3 419.428 4.053 20 5 HIBDHN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2ccccn2)CC1 ZINC000535556529 933240876 /nfs/dbraw/zinc/24/08/76/933240876.db2.gz VRVGIZSYUREMQV-UHFFFAOYSA-N 0 3 421.501 4.383 20 5 HIBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000537967822 938438574 /nfs/dbraw/zinc/43/85/74/938438574.db2.gz BXZKSOTTZWRHBC-INIZCTEOSA-N 0 3 418.515 4.041 20 5 HIBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322960 938592512 /nfs/dbraw/zinc/59/25/12/938592512.db2.gz HLKZTDWNHZCVKY-RNODOKPDSA-N 0 3 401.438 4.119 20 5 HIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](COc1ccccc1F)C(C)(C)C ZINC000538391023 938609419 /nfs/dbraw/zinc/60/94/19/938609419.db2.gz XJXGSWSQDBKSIG-GOSISDBHSA-N 0 3 403.454 4.064 20 5 HIBDHN Cc1cnc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc1 ZINC000538421166 938616423 /nfs/dbraw/zinc/61/64/23/938616423.db2.gz MCUFAKXZEASOAL-UHFFFAOYSA-N 0 3 417.263 4.048 20 5 HIBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCN(c2ccccn2)CC1 ZINC000538718572 938690257 /nfs/dbraw/zinc/69/02/57/938690257.db2.gz ABENQORJYLKPJR-UHFFFAOYSA-N 0 3 420.460 4.330 20 5 HIBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000539075479 938795241 /nfs/dbraw/zinc/79/52/41/938795241.db2.gz HDSUBVJQUOQRCE-LBPRGKRZSA-N 0 3 411.380 4.129 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000539326968 938842262 /nfs/dbraw/zinc/84/22/62/938842262.db2.gz 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CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543904322 940235302 /nfs/dbraw/zinc/23/53/02/940235302.db2.gz MKBSUFKOSNWABR-HNNXBMFYSA-N 0 3 420.916 4.380 20 5 HIBDHN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000545478278 940571487 /nfs/dbraw/zinc/57/14/87/940571487.db2.gz VFWOKPKZYITJOI-KRWDZBQOSA-N 0 3 421.419 4.350 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000565736554 945874969 /nfs/dbraw/zinc/87/49/69/945874969.db2.gz GLMZAFIKDTZWOV-UWJYYQICSA-N 0 3 415.559 4.305 20 5 HIBDHN CCC[C@@]1(CO)CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000568800598 946701138 /nfs/dbraw/zinc/70/11/38/946701138.db2.gz OFHILJMKWGVCGI-HSZRJFAPSA-N 0 3 414.502 4.167 20 5 HIBDHN CCC(CC)Nc1ccncc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000568918964 946755575 /nfs/dbraw/zinc/75/55/75/946755575.db2.gz QCGZSUWEPFDRQH-UHFFFAOYSA-N 0 3 414.509 4.211 20 5 HIBDHN CC(C)c1ccc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)cc1[N+](=O)[O-] 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HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000470178173 884461432 /nfs/dbraw/zinc/46/14/32/884461432.db2.gz IQDNZUHPKJHXTI-GHRIWEEISA-N 0 3 411.477 4.166 20 5 HIBDHN CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470888061 885384005 /nfs/dbraw/zinc/38/40/05/885384005.db2.gz JWHBHADVPNNSQF-HSZRJFAPSA-N 0 3 424.545 4.224 20 5 HIBDHN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000471947079 886750777 /nfs/dbraw/zinc/75/07/77/886750777.db2.gz PUMYLOTZXURMAV-WBVHZDCISA-N 0 3 408.380 4.181 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000474352506 889230681 /nfs/dbraw/zinc/23/06/81/889230681.db2.gz OTSNSCIUSYPPHS-HXUWFJFHSA-N 0 3 404.850 4.041 20 5 HIBDHN O=[N+]([O-])c1cc(CN(CCO)[C@@H]2CCCSC2)ccc1Oc1ccc(F)cc1 ZINC000475507529 890423370 /nfs/dbraw/zinc/42/33/70/890423370.db2.gz GGIQWZCPVMCTJN-QGZVFWFLSA-N 0 3 406.479 4.216 20 5 HIBDHN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 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HIBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000512739775 921299708 /nfs/dbraw/zinc/29/97/08/921299708.db2.gz LRLLVHUZNCVPPF-UHFFFAOYSA-N 0 3 423.439 4.023 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)cc1 ZINC000498186901 907721526 /nfs/dbraw/zinc/72/15/26/907721526.db2.gz CKQZQVUFWIUZIS-OAQYLSRUSA-N 0 3 404.470 4.018 20 5 HIBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000498454306 907917156 /nfs/dbraw/zinc/91/71/56/907917156.db2.gz MFJWFSQPBRBTBN-ROUUACIJSA-N 0 3 416.566 4.024 20 5 HIBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000498454305 907917730 /nfs/dbraw/zinc/91/77/30/907917730.db2.gz MFJWFSQPBRBTBN-QZTJIDSGSA-N 0 3 416.566 4.024 20 5 HIBDHN CC(C)c1ccc(CNCCNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000500882887 910156042 /nfs/dbraw/zinc/15/60/42/910156042.db2.gz BEZRNTWQXPRASA-UHFFFAOYSA-N 0 3 420.307 4.000 20 5 HIBDHN 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401.264 4.080 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000538210377 938557664 /nfs/dbraw/zinc/55/76/64/938557664.db2.gz HKYMSNRNUUWQRU-HNNXBMFYSA-N 0 3 420.916 4.380 20 5 HIBDHN CN(c1ccccc1)c1ccc(CNCc2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000538430106 938617976 /nfs/dbraw/zinc/61/79/76/938617976.db2.gz SESAGBQBTBLZOP-UHFFFAOYSA-N 0 3 414.469 4.233 20 5 HIBDHN C[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539286652 938833988 /nfs/dbraw/zinc/83/39/88/938833988.db2.gz GBCOPENEGOBRHI-UONOGXRCSA-N 0 3 413.865 4.112 20 5 HIBDHN COc1cc(CN[C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539635534 938891372 /nfs/dbraw/zinc/89/13/72/938891372.db2.gz SYYPPJVRDQZAIK-GJZGRUSLSA-N 0 3 420.428 4.228 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408013 939237590 /nfs/dbraw/zinc/23/75/90/939237590.db2.gz OCIPDGLNCBVBNA-IRXDYDNUSA-N 0 3 400.498 4.288 20 5 HIBDHN CC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554242 939303198 /nfs/dbraw/zinc/30/31/98/939303198.db2.gz METLOXYPZUDBFG-ZUURVNMSSA-N 0 3 423.513 4.350 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541328494 939491069 /nfs/dbraw/zinc/49/10/69/939491069.db2.gz PWOUPHBWVCHXFM-LJQANCHMSA-N 0 3 408.907 4.153 20 5 HIBDHN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000543073075 939924214 /nfs/dbraw/zinc/92/42/14/939924214.db2.gz RNRPZLLUSGBKSD-GJZGRUSLSA-N 0 3 410.474 4.011 20 5 HIBDHN CC(C)([C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543401468 940052082 /nfs/dbraw/zinc/05/20/82/940052082.db2.gz OXAQPWVMZKMHGX-NRFANRHFSA-N 0 3 417.456 4.147 20 5 HIBDHN C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543594118 940124207 /nfs/dbraw/zinc/12/42/07/940124207.db2.gz CYQTVRVFYFGYEB-AWEZNQCLSA-N 0 3 407.495 4.460 20 5 HIBDHN 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NFZJWZJFRVTMQY-SNVBAGLBSA-N 0 3 407.243 4.094 20 5 HIBDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000571780994 947778216 /nfs/dbraw/zinc/77/82/16/947778216.db2.gz BXRKMGUMKPCONQ-UHFFFAOYSA-N 0 3 418.247 4.417 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]([C@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288550 948146896 /nfs/dbraw/zinc/14/68/96/948146896.db2.gz UOHHFPXSMNWBKX-GUYCJALGSA-N 0 3 400.422 4.459 20 5 HIBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000575977929 948806306 /nfs/dbraw/zinc/80/63/06/948806306.db2.gz YUDZGNXJOOKAMI-QGZVFWFLSA-N 0 3 408.239 4.440 20 5 HIBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436157896 861457341 /nfs/dbraw/zinc/45/73/41/861457341.db2.gz XLBZGCQYAWXGKX-OAHLLOKOSA-N 0 3 409.505 4.061 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000026226396 847107586 /nfs/dbraw/zinc/10/75/86/847107586.db2.gz QZAUMUZSMROSIJ-UHFFFAOYSA-N 0 3 412.273 4.371 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000026909303 847220636 /nfs/dbraw/zinc/22/06/36/847220636.db2.gz JDVXUQLMVYIFIC-UHFFFAOYSA-N 0 3 414.531 4.019 20 5 HIBDHN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)CN3CCCCC3)cc2[N+](=O)[O-])n1 ZINC000027743023 847345897 /nfs/dbraw/zinc/34/58/97/847345897.db2.gz JCUDTEHCIQJNDF-ZDUSSCGKSA-N 0 3 420.560 4.115 20 5 HIBDHN COc1ccc(CNCc2ccc3c(c2)OCO3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002507 851269934 /nfs/dbraw/zinc/26/99/34/851269934.db2.gz GWJZEWZUNSAJCM-UHFFFAOYSA-N 0 3 422.437 4.201 20 5 HIBDHN CC(C)c1ccc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000063548327 851711992 /nfs/dbraw/zinc/71/19/92/851711992.db2.gz QQCZRGVKUSAKNI-INIZCTEOSA-N 0 3 412.408 4.267 20 5 HIBDHN CN(CCN1CCCC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000110910902 853167272 /nfs/dbraw/zinc/16/72/72/853167272.db2.gz PRRDEQYZSPVKIN-UHFFFAOYSA-N 0 3 416.909 4.028 20 5 HIBDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000150247896 853641446 /nfs/dbraw/zinc/64/14/46/853641446.db2.gz VDFDEFZGIDFYQF-HXUWFJFHSA-N 0 3 413.474 4.086 20 5 HIBDHN COC(=O)/C=C\c1ccc(Nc2cccc(CN3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000209806225 853811825 /nfs/dbraw/zinc/81/18/25/853811825.db2.gz BVZXJAVVGGBHJG-VURMDHGXSA-N 0 3 413.499 4.073 20 5 HIBDHN CC[C@H](C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236976099 853945478 /nfs/dbraw/zinc/94/54/78/853945478.db2.gz RJXPYOFIDOXWLO-LBPRGKRZSA-N 0 3 424.295 4.012 20 5 HIBDHN COc1cc(CNCCc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237201373 853981171 /nfs/dbraw/zinc/98/11/71/853981171.db2.gz FSBCVXNZONPSOZ-UHFFFAOYSA-N 0 3 402.344 4.016 20 5 HIBDHN CS(=O)(=O)Cc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000237355956 854012440 /nfs/dbraw/zinc/01/24/40/854012440.db2.gz HYKZJLNLKBAMQP-UHFFFAOYSA-N 0 3 416.524 4.158 20 5 HIBDHN COc1ccc(-c2ccc(CNC[C@@H](c3ccco3)N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237416714 854027669 /nfs/dbraw/zinc/02/76/69/854027669.db2.gz GSWWECOYLCBFBK-FQEVSTJZSA-N 0 3 411.458 4.383 20 5 HIBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc2C1 ZINC000237432086 854032690 /nfs/dbraw/zinc/03/26/90/854032690.db2.gz SHSDKORPJOTAEY-INIZCTEOSA-N 0 3 408.527 4.255 20 5 HIBDHN C[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000237719720 854083015 /nfs/dbraw/zinc/08/30/15/854083015.db2.gz TXZMYTNWWQTPTO-LPHOPBHVSA-N 0 3 408.527 4.471 20 5 HIBDHN Cn1cc(CNCc2ccc(Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931543 854120933 /nfs/dbraw/zinc/12/09/33/854120933.db2.gz LUGRVNDLLITRCS-UHFFFAOYSA-N 0 3 407.293 4.109 20 5 HIBDHN O=[N+]([O-])c1cc(CNCCOC[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000237929954 854121026 /nfs/dbraw/zinc/12/10/26/854121026.db2.gz LFNHTSPHUUKGBU-MRXNPFEDSA-N 0 3 406.866 4.326 20 5 HIBDHN CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000303963335 855324625 /nfs/dbraw/zinc/32/46/25/855324625.db2.gz XKCXUPGWJMVVIJ-MRXNPFEDSA-N 0 3 403.866 4.207 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437702390 863036222 /nfs/dbraw/zinc/03/62/22/863036222.db2.gz ZXPJGZOHCVKBFF-QFIPXVFZSA-N 0 3 408.502 4.106 20 5 HIBDHN CCc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)cc1 ZINC000437703702 863037491 /nfs/dbraw/zinc/03/74/91/863037491.db2.gz QGGVRKVQZSMREO-JOCHJYFZSA-N 0 3 410.518 4.134 20 5 HIBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000434332185 860294560 /nfs/dbraw/zinc/29/45/60/860294560.db2.gz HDZWITHAISHAQZ-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000434988453 860587421 /nfs/dbraw/zinc/58/74/21/860587421.db2.gz SHINTVCGXGSIFW-KRWDZBQOSA-N 0 3 417.893 4.389 20 5 HIBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435283455 860717974 /nfs/dbraw/zinc/71/79/74/860717974.db2.gz XXLUAZBSZAAQOR-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435296756 860725101 /nfs/dbraw/zinc/72/51/01/860725101.db2.gz HNAJSRYMUUZROX-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998589 863360842 /nfs/dbraw/zinc/36/08/42/863360842.db2.gz JBSKRVGPGWMUQX-FXAWDEMLSA-N 0 3 408.502 4.104 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000439645115 864971059 /nfs/dbraw/zinc/97/10/59/864971059.db2.gz UJJDEWBVWJINTO-GFCCVEGCSA-N 0 3 423.872 4.290 20 5 HIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817284 865135188 /nfs/dbraw/zinc/13/51/88/865135188.db2.gz AWYXEQCLVFGZNZ-HZPDHXFCSA-N 0 3 400.454 4.329 20 5 HIBDHN CN(C)CCN(C)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000443209560 867876443 /nfs/dbraw/zinc/87/64/43/867876443.db2.gz FXDSTNHHERKZSF-SAPNQHFASA-N 0 3 424.526 4.155 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000443414876 867999832 /nfs/dbraw/zinc/99/98/32/867999832.db2.gz PPVJJPYRXWCFCS-KRWDZBQOSA-N 0 3 424.419 4.060 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 ZINC000444827721 869036106 /nfs/dbraw/zinc/03/61/06/869036106.db2.gz LELDIIWYJQFHKG-HSZRJFAPSA-N 0 3 413.521 4.494 20 5 HIBDHN CC1CCN([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000445645269 869715939 /nfs/dbraw/zinc/71/59/39/869715939.db2.gz OBMDXXZLDJZVAF-LJQANCHMSA-N 0 3 401.532 4.178 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000462991202 876005627 /nfs/dbraw/zinc/00/56/27/876005627.db2.gz UISSVTHXYGFKEW-SIKLNZKXSA-N 0 3 409.530 4.287 20 5 HIBDHN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000463816338 876931185 /nfs/dbraw/zinc/93/11/85/876931185.db2.gz IHESWXXJNLIHFT-UHFFFAOYSA-N 0 3 421.419 4.350 20 5 HIBDHN COc1cc(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484246 877702570 /nfs/dbraw/zinc/70/25/70/877702570.db2.gz BMAFHFVXFNGEOI-OAHLLOKOSA-N 0 3 417.485 4.288 20 5 HIBDHN COc1cc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])cc1F ZINC000464484246 877702579 /nfs/dbraw/zinc/70/25/79/877702579.db2.gz BMAFHFVXFNGEOI-OAHLLOKOSA-N 0 3 417.485 4.288 20 5 HIBDHN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)N(C)C ZINC000503526614 912577708 /nfs/dbraw/zinc/57/77/08/912577708.db2.gz GZAZIYQOQHUKFE-UGSOOPFHSA-N 0 3 424.423 4.104 20 5 HIBDHN COc1cc(CN2CC[C@H](C)[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370010 881143403 /nfs/dbraw/zinc/14/34/03/881143403.db2.gz NOPPZHPCECDJDQ-AOMKIAJQSA-N 0 3 400.475 4.039 20 5 HIBDHN COc1ccc(CN2CC[C@H](C)[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377788 881151958 /nfs/dbraw/zinc/15/19/58/881151958.db2.gz PLLZMUOHVNHGFH-KSFYIVLOSA-N 0 3 400.475 4.039 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000470173218 884454176 /nfs/dbraw/zinc/45/41/76/884454176.db2.gz JXOSEWCTOGOKHL-WJDWOHSUSA-N 0 3 423.469 4.078 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000470178174 884461504 /nfs/dbraw/zinc/46/15/04/884461504.db2.gz IQDNZUHPKJHXTI-LGMDPLHJSA-N 0 3 411.477 4.166 20 5 HIBDHN CO[C@@H]1CC[C@@H](N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564362 886273262 /nfs/dbraw/zinc/27/32/62/886273262.db2.gz SRBPQSHOFGQJQJ-OGWOLHLISA-N 0 3 403.866 4.085 20 5 HIBDHN COC(=O)COc1ccc(CNCc2cccc(-c3cccc(C)c3)c2)cc1[N+](=O)[O-] ZINC000474348710 889227035 /nfs/dbraw/zinc/22/70/35/889227035.db2.gz VCDXVUSQAQAHMP-UHFFFAOYSA-N 0 3 420.465 4.412 20 5 HIBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475715496 890653758 /nfs/dbraw/zinc/65/37/58/890653758.db2.gz QCTQPSWVUYLLKI-LBPRGKRZSA-N 0 3 401.394 4.168 20 5 HIBDHN COC(=O)COc1ccc(CN(Cc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000475721757 890660048 /nfs/dbraw/zinc/66/00/48/890660048.db2.gz FIAPBRVCANVFNL-UHFFFAOYSA-N 0 3 404.438 4.086 20 5 HIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000477035134 891960767 /nfs/dbraw/zinc/96/07/67/891960767.db2.gz RTNJYXSYMVRUTM-HXUWFJFHSA-N 0 3 414.506 4.423 20 5 HIBDHN C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000478616771 893878201 /nfs/dbraw/zinc/87/82/01/893878201.db2.gz BTFLDEPGCJQRSL-OLZOCXBDSA-N 0 3 419.469 4.085 20 5 HIBDHN COc1ccc(Cl)cc1C1(CNCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000479971064 895325277 /nfs/dbraw/zinc/32/52/77/895325277.db2.gz RZAXCMHWKCIHTA-UHFFFAOYSA-N 0 3 408.857 4.234 20 5 HIBDHN CC(C)[C@H](CN(C)Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141624 897602036 /nfs/dbraw/zinc/60/20/36/897602036.db2.gz KCJBIMWJBYIEDD-UTKZUKDTSA-N 0 3 423.517 4.452 20 5 HIBDHN CC(C)[C@H](CN(C)Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141625 897602467 /nfs/dbraw/zinc/60/24/67/897602467.db2.gz KCJBIMWJBYIEDD-UWJYYQICSA-N 0 3 423.517 4.452 20 5 HIBDHN CC[C@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543293 898131679 /nfs/dbraw/zinc/13/16/79/898131679.db2.gz LKHTTYQRJJZKRO-IERDGZPVSA-N 0 3 400.498 4.288 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000489600620 903490396 /nfs/dbraw/zinc/49/03/96/903490396.db2.gz VFZUDDQGCVAUKY-UWJYYQICSA-N 0 3 413.543 4.337 20 5 HIBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489867873 903639644 /nfs/dbraw/zinc/63/96/44/903639644.db2.gz CHYBEZQLXDZRJF-QFIPXVFZSA-N 0 3 408.502 4.106 20 5 HIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356263 904552976 /nfs/dbraw/zinc/55/29/76/904552976.db2.gz LEMWFWXVLJTVIM-RPBOFIJWSA-N 0 3 417.509 4.347 20 5 HIBDHN CCOc1cc(CN(Cc2cccc(OC)c2)C2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000492763661 904900065 /nfs/dbraw/zinc/90/00/65/904900065.db2.gz AWKHKWMDUPDIJV-UHFFFAOYSA-N 0 3 414.502 4.308 20 5 HIBDHN COc1ccc(CN2CCC(n3ccnc3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512395709 921131509 /nfs/dbraw/zinc/13/15/09/921131509.db2.gz ZKYYRKXQJAAVMY-UHFFFAOYSA-N 0 3 422.485 4.216 20 5 HIBDHN O=C(NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000494052060 905391586 /nfs/dbraw/zinc/39/15/86/905391586.db2.gz ZWLGWEVQRMPCGD-QFIPXVFZSA-N 0 3 407.445 4.233 20 5 HIBDHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498718085 908143710 /nfs/dbraw/zinc/14/37/10/908143710.db2.gz BKOXNVXWJZPLDK-CQSZACIVSA-N 0 3 403.866 4.207 20 5 HIBDHN O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000513056694 921513828 /nfs/dbraw/zinc/51/38/28/921513828.db2.gz KIFWFADJDUIWSK-SFHVURJKSA-N 0 3 419.481 4.497 20 5 HIBDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000513061112 921517050 /nfs/dbraw/zinc/51/70/50/921517050.db2.gz HGLCEIPZYRAUCT-OLZOCXBDSA-N 0 3 406.280 4.425 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)Cc3ccc(F)cc3)o2)c(Cl)c1 ZINC000500221237 909712838 /nfs/dbraw/zinc/71/28/38/909712838.db2.gz JPZWEOBQYATHIS-HNNXBMFYSA-N 0 3 404.825 4.341 20 5 HIBDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000513061111 921517346 /nfs/dbraw/zinc/51/73/46/921517346.db2.gz HGLCEIPZYRAUCT-CHWSQXEVSA-N 0 3 406.280 4.425 20 5 HIBDHN COc1cc(CN2CCC(C)(OC)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500696479 910029985 /nfs/dbraw/zinc/02/99/85/910029985.db2.gz KHQXTNYVZJBNGV-UHFFFAOYSA-N 0 3 400.475 4.183 20 5 HIBDHN COC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000506295960 914890728 /nfs/dbraw/zinc/89/07/28/914890728.db2.gz VUMRSDLZJGLCKN-LBPRGKRZSA-N 0 3 423.263 4.002 20 5 HIBDHN COc1cc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000507922095 916801319 /nfs/dbraw/zinc/80/13/19/916801319.db2.gz KIGYOSKRNKEGEK-UHFFFAOYSA-N 0 3 401.246 4.175 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000509763167 918377484 /nfs/dbraw/zinc/37/74/84/918377484.db2.gz QISNAHJCHUEFRH-RXVVDRJESA-N 0 3 410.518 4.350 20 5 HIBDHN CCN(CC)[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761806 922079964 /nfs/dbraw/zinc/07/99/64/922079964.db2.gz OWQDNOGLPHIVJW-FCHUYYIVSA-N 0 3 407.518 4.090 20 5 HIBDHN CCC[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCc2sccc2C1 ZINC000514991468 922870474 /nfs/dbraw/zinc/87/04/74/922870474.db2.gz VDJMSRNOICQURD-PMACEKPBSA-N 0 3 413.543 4.377 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC)c1 ZINC000515298538 923040546 /nfs/dbraw/zinc/04/05/46/923040546.db2.gz MQHGVDFMORUZES-IBGZPJMESA-N 0 3 411.458 4.163 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528751 923157689 /nfs/dbraw/zinc/15/76/89/923157689.db2.gz NAFVTZMYQOTRPR-HRAATJIYSA-N 0 3 414.506 4.047 20 5 HIBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000517302734 924088371 /nfs/dbraw/zinc/08/83/71/924088371.db2.gz CEQSUJDTCKZXDH-IAGOWNOFSA-N 0 3 410.518 4.391 20 5 HIBDHN COc1cc(CNCC(C)(C)c2ncccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000518268783 927126440 /nfs/dbraw/zinc/12/64/40/927126440.db2.gz XUHLSGHGRVHTFM-UHFFFAOYSA-N 0 3 409.433 4.018 20 5 HIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000530972880 930872504 /nfs/dbraw/zinc/87/25/04/930872504.db2.gz CAQGDQGESSDSEA-JHXTVGTDSA-N 0 3 403.866 4.118 20 5 HIBDHN CC(=O)N1CC[C@H](NCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)C1 ZINC000531610144 931125055 /nfs/dbraw/zinc/12/50/55/931125055.db2.gz KJVRRVJYSFGLKA-IBGZPJMESA-N 0 3 411.502 4.395 20 5 HIBDHN C[C@@H]1C[C@@H]1c1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893996 931683004 /nfs/dbraw/zinc/68/30/04/931683004.db2.gz ULXJSQPGAUUHIK-KDOFPFPSSA-N 0 3 411.458 4.274 20 5 HIBDHN C[C@@H]1SCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000533289319 931828843 /nfs/dbraw/zinc/82/88/43/931828843.db2.gz DOSPYXKUASYOFN-YWZLYKJASA-N 0 3 413.499 4.071 20 5 HIBDHN CC(C)c1nc([C@@H]2CCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000533404707 931859486 /nfs/dbraw/zinc/85/94/86/931859486.db2.gz RFGXVBFLBQAYOT-MRXNPFEDSA-N 0 3 411.462 4.178 20 5 HIBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000537638873 938343301 /nfs/dbraw/zinc/34/33/01/938343301.db2.gz KZGIECBLNNBWRN-UHFFFAOYSA-N 0 3 413.543 4.364 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537646613 938345325 /nfs/dbraw/zinc/34/53/25/938345325.db2.gz DUULYDHBJRWCDM-JZLODUJNSA-N 0 3 413.440 4.121 20 5 HIBDHN CCC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538738775 938697866 /nfs/dbraw/zinc/69/78/66/938697866.db2.gz ZFPSWTKFVTVMEA-UHFFFAOYSA-N 0 3 406.486 4.184 20 5 HIBDHN Cn1cc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538751237 938702276 /nfs/dbraw/zinc/70/22/76/938702276.db2.gz WSPPOPBSEPRCJH-FQEVSTJZSA-N 0 3 412.877 4.302 20 5 HIBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000540392972 939232182 /nfs/dbraw/zinc/23/21/82/939232182.db2.gz OEEBMYKRVXPDMZ-HNNXBMFYSA-N 0 3 404.898 4.083 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408010 939237772 /nfs/dbraw/zinc/23/77/72/939237772.db2.gz OCIPDGLNCBVBNA-DLBZAZTESA-N 0 3 400.498 4.288 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000540520476 939285476 /nfs/dbraw/zinc/28/54/76/939285476.db2.gz QQZCJAUOJRIGFZ-ADYAMRHXSA-N 0 3 403.866 4.182 20 5 HIBDHN COc1cc(CNC[C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000541779970 939628267 /nfs/dbraw/zinc/62/82/67/939628267.db2.gz SITGYRMPCWYXMA-SNVBAGLBSA-N 0 3 419.425 4.203 20 5 HIBDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000542142416 939728747 /nfs/dbraw/zinc/72/87/47/939728747.db2.gz MOPIVNDARFAEIR-HUUCEWRRSA-N 0 3 410.474 4.011 20 5 HIBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580792 940118120 /nfs/dbraw/zinc/11/81/20/940118120.db2.gz FJNWHOUTFLGMEK-LIRRHRJNSA-N 0 3 403.548 4.090 20 5 HIBDHN Cc1nc([C@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000543623744 940138986 /nfs/dbraw/zinc/13/89/86/940138986.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 0 3 411.437 4.332 20 5 HIBDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000543623744 940138995 /nfs/dbraw/zinc/13/89/95/940138995.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 0 3 411.437 4.332 20 5 HIBDHN Cc1nnc([C@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000543623744 940139006 /nfs/dbraw/zinc/13/90/06/940139006.db2.gz JRIYACVINYEBAT-INIZCTEOSA-N 0 3 411.437 4.332 20 5 HIBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000544564446 940480587 /nfs/dbraw/zinc/48/05/87/940480587.db2.gz GIXFKHLHPTWNET-IRXDYDNUSA-N 0 3 406.523 4.419 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549424099 941188665 /nfs/dbraw/zinc/18/86/65/941188665.db2.gz KYVQSQHIPARZSF-GOSISDBHSA-N 0 3 407.392 4.181 20 5 HIBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058124 941575934 /nfs/dbraw/zinc/57/59/34/941575934.db2.gz WOHKCALJMFRVID-QKYXUNIQSA-N 0 3 417.893 4.128 20 5 HIBDHN Cn1ccnc1[C@@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068043 941578575 /nfs/dbraw/zinc/57/85/75/941578575.db2.gz GLHCUOGRIVDVRT-LADGPHEKSA-N 0 3 419.529 4.062 20 5 HIBDHN CCCN(C)[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552241984 941611339 /nfs/dbraw/zinc/61/13/39/941611339.db2.gz KJDDGLGUUKXVRQ-LJQANCHMSA-N 0 3 405.882 4.070 20 5 HIBDHN CSc1ccc([C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000555263028 942452794 /nfs/dbraw/zinc/45/27/94/942452794.db2.gz BWHIOCKKDPZXPV-HXUWFJFHSA-N 0 3 416.547 4.170 20 5 HIBDHN COc1ccc([C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)N2CCCCC2)cc1 ZINC000557476914 943154770 /nfs/dbraw/zinc/15/47/70/943154770.db2.gz GYOQREMWJPRBKF-QGZVFWFLSA-N 0 3 413.503 4.247 20 5 HIBDHN Cn1ccnc1[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549906 944251388 /nfs/dbraw/zinc/25/13/88/944251388.db2.gz IOJXHSHDOMCYJH-VWNXMTODSA-N 0 3 419.529 4.062 20 5 HIBDHN COc1ccccc1O[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000564311440 945510402 /nfs/dbraw/zinc/51/04/02/945510402.db2.gz XIBSKNWSZSBSGT-FQEVSTJZSA-N 0 3 422.485 4.047 20 5 HIBDHN CC(C)N1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000569870992 947027083 /nfs/dbraw/zinc/02/70/83/947027083.db2.gz PCELMUSZTATOBP-GHTZIAJQSA-N 0 3 415.444 4.063 20 5 HIBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000574183948 948381050 /nfs/dbraw/zinc/38/10/50/948381050.db2.gz QSRAYMYOJOPGPA-INIZCTEOSA-N 0 3 405.564 4.433 20 5 HIBDHN CSc1ccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000574430739 948438219 /nfs/dbraw/zinc/43/82/19/948438219.db2.gz HXIOQSYFXOHPTJ-QGZVFWFLSA-N 0 3 407.923 4.311 20 5 HIBDHN CN(CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000435935478 861198197 /nfs/dbraw/zinc/19/81/97/861198197.db2.gz JLKJKCVLJHMKPF-UHFFFAOYSA-N 0 3 417.484 4.072 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025858742 847047260 /nfs/dbraw/zinc/04/72/60/847047260.db2.gz JQIPTDCXDSGSJF-IBGZPJMESA-N 0 3 405.882 4.070 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(c1ccccc1)c1ccccc1 ZINC000026219217 847105368 /nfs/dbraw/zinc/10/53/68/847105368.db2.gz XOTXEARHLXALPV-UHFFFAOYSA-N 0 3 405.454 4.311 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc(Br)cs1 ZINC000052847949 849633010 /nfs/dbraw/zinc/63/30/10/849633010.db2.gz AVBJXDTUXLHSLQ-UHFFFAOYSA-N 0 3 412.309 4.188 20 5 HIBDHN C[C@H](Nc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053477309 849718093 /nfs/dbraw/zinc/71/80/93/849718093.db2.gz VDIMLIQIEDLBHN-INIZCTEOSA-N 0 3 419.485 4.477 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000060371675 851080557 /nfs/dbraw/zinc/08/05/57/851080557.db2.gz FQIGIQCSGGOAKX-GOSISDBHSA-N 0 3 411.355 4.127 20 5 HIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNCCNC(=O)C3CC3)cc2[N+](=O)[O-])c1 ZINC000060830823 851225149 /nfs/dbraw/zinc/22/51/49/851225149.db2.gz VFRXFJWYPKOXKI-UHFFFAOYSA-N 0 3 411.502 4.435 20 5 HIBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000072045831 852484738 /nfs/dbraw/zinc/48/47/38/852484738.db2.gz RQDSMXDKTGTTIZ-DHZHZOJOSA-N 0 3 421.419 4.217 20 5 HIBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000117336509 853353708 /nfs/dbraw/zinc/35/37/08/853353708.db2.gz VVEUPGDFYPJKFP-HXUWFJFHSA-N 0 3 415.921 4.451 20 5 HIBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000117336512 853354444 /nfs/dbraw/zinc/35/44/44/853354444.db2.gz VVEUPGDFYPJKFP-FQEVSTJZSA-N 0 3 415.921 4.451 20 5 HIBDHN Cc1nc2n(n1)C[C@@H](NCc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 ZINC000237711979 854080979 /nfs/dbraw/zinc/08/09/79/854080979.db2.gz FKZWFCRPMMNQPP-HNNXBMFYSA-N 0 3 413.865 4.045 20 5 HIBDHN Cn1c(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 ZINC000237849510 854107680 /nfs/dbraw/zinc/10/76/80/854107680.db2.gz JXBOKPHHFNXZJX-UHFFFAOYSA-N 0 3 407.499 4.327 20 5 HIBDHN CC1CCN([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000301081760 854290401 /nfs/dbraw/zinc/29/04/01/854290401.db2.gz SYTQJOXXTXRMBG-GOSISDBHSA-N 0 3 413.503 4.190 20 5 HIBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000301687301 854445551 /nfs/dbraw/zinc/44/55/51/854445551.db2.gz MGDUKLBUQVRRNB-LBPRGKRZSA-N 0 3 411.325 4.138 20 5 HIBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000426545803 856343057 /nfs/dbraw/zinc/34/30/57/856343057.db2.gz RZXBKECBKUSJBV-OAHLLOKOSA-N 0 3 419.909 4.193 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000429861601 857914799 /nfs/dbraw/zinc/91/47/99/857914799.db2.gz WXMSHJVIXKELFF-OAQYLSRUSA-N 0 3 413.518 4.080 20 5 HIBDHN C[C@H]1CN(Cc2cccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168084 859550654 /nfs/dbraw/zinc/55/06/54/859550654.db2.gz LHHPJPXRXQJSJH-SBUREZEXSA-N 0 3 409.530 4.328 20 5 HIBDHN Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435292325 860722037 /nfs/dbraw/zinc/72/20/37/860722037.db2.gz XSMCYZMXVKXVIH-LJQANCHMSA-N 0 3 419.485 4.107 20 5 HIBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000439622722 864947704 /nfs/dbraw/zinc/94/77/04/864947704.db2.gz FILUSYJTDOXGBN-UHFFFAOYSA-N 0 3 405.882 4.453 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537456 871400807 /nfs/dbraw/zinc/40/08/07/871400807.db2.gz WBWYNQFEGOWSTK-UXHICEINSA-N 0 3 411.437 4.391 20 5 HIBDHN CCOc1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579659 871481723 /nfs/dbraw/zinc/48/17/23/871481723.db2.gz LDJUVPZCAKRDIA-HUUCEWRRSA-N 0 3 410.421 4.065 20 5 HIBDHN COC[C@H]1CCCCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000468697876 882818821 /nfs/dbraw/zinc/81/88/21/882818821.db2.gz ZXRWNWVYFWKOLP-IBGZPJMESA-N 0 3 414.502 4.431 20 5 HIBDHN CC1CCN(CCc2cccc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)c2)CC1 ZINC000469034795 883104696 /nfs/dbraw/zinc/10/46/96/883104696.db2.gz PQDQVAYTZIQGHU-UHFFFAOYSA-N 0 3 417.531 4.016 20 5 HIBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Cl ZINC000464782776 878029332 /nfs/dbraw/zinc/02/93/32/878029332.db2.gz ZZQWQAMMOGZBMA-UHFFFAOYSA-N 0 3 403.866 4.120 20 5 HIBDHN CCCN(CCN1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000503563955 912640945 /nfs/dbraw/zinc/64/09/45/912640945.db2.gz XKXIZOZLXJSQIP-UHFFFAOYSA-N 0 3 416.444 4.021 20 5 HIBDHN CC(C)c1ccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473921910 888802539 /nfs/dbraw/zinc/80/25/39/888802539.db2.gz KNFDNYKEAKBNPO-ROUUACIJSA-N 0 3 417.550 4.070 20 5 HIBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N1Cc2ccccc2C1 ZINC000475495062 890402400 /nfs/dbraw/zinc/40/24/00/890402400.db2.gz RGPJUUVTIPMUMN-HNNXBMFYSA-N 0 3 407.495 4.344 20 5 HIBDHN CCOc1ccc([C@H](C)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911112 913644602 /nfs/dbraw/zinc/64/46/02/913644602.db2.gz AOZIVSWWPUMHAW-MSOLQXFVSA-N 0 3 413.518 4.065 20 5 HIBDHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000479629947 894897247 /nfs/dbraw/zinc/89/72/47/894897247.db2.gz VYOLIXHNJOCPAS-XLIONFOSSA-N 0 3 411.502 4.209 20 5 HIBDHN CCC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256652 897738663 /nfs/dbraw/zinc/73/86/63/897738663.db2.gz NFEITABSEYCBEG-RTBURBONSA-N 0 3 401.532 4.451 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482901260 898521054 /nfs/dbraw/zinc/52/10/54/898521054.db2.gz DDKINIMUCRHJQH-LJQANCHMSA-N 0 3 401.438 4.298 20 5 HIBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000486003659 901218137 /nfs/dbraw/zinc/21/81/37/901218137.db2.gz MZONARIGNZVUPZ-CVDCTZTESA-N 0 3 403.486 4.181 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960271 904967594 /nfs/dbraw/zinc/96/75/94/904967594.db2.gz LUYQVWKJJAEBDR-RBUKOAKNSA-N 0 3 410.518 4.270 20 5 HIBDHN COc1cc(CNCC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493683746 905193703 /nfs/dbraw/zinc/19/37/03/905193703.db2.gz FWCNFQLTJCWQSU-UHFFFAOYSA-N 0 3 410.392 4.208 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494077274 905415557 /nfs/dbraw/zinc/41/55/57/905415557.db2.gz GUHIAOISCHUCFC-UZLBHIALSA-N 0 3 413.543 4.488 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(Br)c(F)c1 ZINC000494267839 905591788 /nfs/dbraw/zinc/59/17/88/905591788.db2.gz JWYWJAHJFGOFAG-UHFFFAOYSA-N 0 3 424.270 4.265 20 5 HIBDHN COc1cc(CNCCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494679052 905895449 /nfs/dbraw/zinc/89/54/49/905895449.db2.gz GUIVLTWGCMIVMM-UHFFFAOYSA-N 0 3 417.412 4.128 20 5 HIBDHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000496286428 906648230 /nfs/dbraw/zinc/64/82/30/906648230.db2.gz TZWJRHCGHBIYOI-SFHVURJKSA-N 0 3 420.494 4.343 20 5 HIBDHN C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000512903899 921396161 /nfs/dbraw/zinc/39/61/61/921396161.db2.gz JDXXRWZBKYRNOF-ZDUSSCGKSA-N 0 3 424.906 4.096 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000502012589 910977147 /nfs/dbraw/zinc/97/71/47/910977147.db2.gz BMRPEBBQHJUPAD-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(Cc4cscn4)CC3)s2)cc1 ZINC000513391956 921762727 /nfs/dbraw/zinc/76/27/27/921762727.db2.gz IGPIRRDWSKKZQK-UHFFFAOYSA-N 0 3 414.556 4.488 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(c4nnc5ccccn54)CC3)o2)c1 ZINC000506704544 915379472 /nfs/dbraw/zinc/37/94/72/915379472.db2.gz CFDXZWRWHRBNRY-UHFFFAOYSA-N 0 3 403.442 4.277 20 5 HIBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000507969920 916821702 /nfs/dbraw/zinc/82/17/02/916821702.db2.gz MYRKSRPBXBXNSS-UHFFFAOYSA-N 0 3 416.481 4.051 20 5 HIBDHN C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570287 917343856 /nfs/dbraw/zinc/34/38/56/917343856.db2.gz PDEVIYCQJJSYRV-FOIQADDNSA-N 0 3 421.419 4.227 20 5 HIBDHN O=C(Nc1ccccc1)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000510003588 918585848 /nfs/dbraw/zinc/58/58/48/918585848.db2.gz CXGAVCMKQDLAHP-SFHVURJKSA-N 0 3 406.442 4.251 20 5 HIBDHN CC1CCN(C(=O)C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)CC1 ZINC000510385612 918865732 /nfs/dbraw/zinc/86/57/32/918865732.db2.gz AWQUZJMHUMFNSD-UHFFFAOYSA-N 0 3 411.502 4.325 20 5 HIBDHN Cc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000510473779 918927955 /nfs/dbraw/zinc/92/79/55/918927955.db2.gz CAIQYYDODZAAFL-UHFFFAOYSA-N 0 3 406.280 4.288 20 5 HIBDHN CC1CCN(c2ccc(C(=O)N(CCN(C)C)C3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000511392676 920003556 /nfs/dbraw/zinc/00/35/56/920003556.db2.gz WQKNMPMATHYHPM-UHFFFAOYSA-N 0 3 416.566 4.168 20 5 HIBDHN CCN(CC)[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763516 922083393 /nfs/dbraw/zinc/08/33/93/922083393.db2.gz YTJQDMBIKHDSJQ-FGZHOGPDSA-N 0 3 407.518 4.090 20 5 HIBDHN COC[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(Cl)c1 ZINC000515014126 922877856 /nfs/dbraw/zinc/87/78/56/922877856.db2.gz KHUODOAZUUWEAP-GOSISDBHSA-N 0 3 401.850 4.423 20 5 HIBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc2C1 ZINC000517552964 924262673 /nfs/dbraw/zinc/26/26/73/924262673.db2.gz JXMUSIQZLKKCJS-UHFFFAOYSA-N 0 3 405.445 4.123 20 5 HIBDHN Cc1ccc(C(=O)NCCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000517576030 926689442 /nfs/dbraw/zinc/68/94/42/926689442.db2.gz IALJOVJDSPJIGQ-UHFFFAOYSA-N 0 3 423.444 4.354 20 5 HIBDHN CC(C)CCN1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000520225330 928400343 /nfs/dbraw/zinc/40/03/43/928400343.db2.gz CRWWVZOJTPLTOV-QFIPXVFZSA-N 0 3 408.502 4.174 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000520447327 928570409 /nfs/dbraw/zinc/57/04/09/928570409.db2.gz YSGBXUHNWNQGQA-LJQANCHMSA-N 0 3 423.435 4.355 20 5 HIBDHN Cc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000520951104 928886909 /nfs/dbraw/zinc/88/69/09/928886909.db2.gz PBHVTXRAKRRNBC-YWZLYKJASA-N 0 3 421.900 4.247 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000524644580 929757117 /nfs/dbraw/zinc/75/71/17/929757117.db2.gz PNSAQYOUZYHECN-ACJLOTCBSA-N 0 3 405.545 4.191 20 5 HIBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000531110168 930923810 /nfs/dbraw/zinc/92/38/10/930923810.db2.gz LEPLUHQRLKVQHS-GFCCVEGCSA-N 0 3 402.838 4.500 20 5 HIBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322959 938592613 /nfs/dbraw/zinc/59/26/13/938592613.db2.gz HLKZTDWNHZCVKY-RBZFPXEDSA-N 0 3 401.438 4.119 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(c4ncccc4F)C3)o2)c(Cl)c1 ZINC000538420406 938616554 /nfs/dbraw/zinc/61/65/54/938616554.db2.gz PHYIBMYPUUNHQQ-ZDUSSCGKSA-N 0 3 416.840 4.411 20 5 HIBDHN Cc1cccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000539291247 938834721 /nfs/dbraw/zinc/83/47/21/938834721.db2.gz VUSNWXGKYWJVEU-ZDUSSCGKSA-N 0 3 406.280 4.263 20 5 HIBDHN O=C(NCc1ccncc1)Nc1cccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000539502550 938869542 /nfs/dbraw/zinc/86/95/42/938869542.db2.gz SIFZOJGAONRKMJ-DAXSKMNVSA-N 0 3 417.469 4.115 20 5 HIBDHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924219 938978145 /nfs/dbraw/zinc/97/81/45/938978145.db2.gz WLPGDNZDVYYHLT-APWZRJJASA-N 0 3 413.449 4.017 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccccc1OC(C)C ZINC000540326719 939195675 /nfs/dbraw/zinc/19/56/75/939195675.db2.gz XRJHAJQOYDKQQG-OAHLLOKOSA-N 0 3 401.463 4.070 20 5 HIBDHN CC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554240 939303250 /nfs/dbraw/zinc/30/32/50/939303250.db2.gz METLOXYPZUDBFG-FYJQUHEMSA-N 0 3 423.513 4.350 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000542483756 939831263 /nfs/dbraw/zinc/83/12/63/939831263.db2.gz GKZJSXZZPWFGHM-GFCCVEGCSA-N 0 3 402.800 4.208 20 5 HIBDHN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1c1cccnc1 ZINC000542483148 939831331 /nfs/dbraw/zinc/83/13/31/939831331.db2.gz ZBSFCGNSKRGQAO-LJQANCHMSA-N 0 3 408.483 4.004 20 5 HIBDHN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544848566 940518971 /nfs/dbraw/zinc/51/89/71/940518971.db2.gz DCNHGHZSOUMMRY-GOSISDBHSA-N 0 3 421.419 4.350 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2noc([C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)n2)c1 ZINC000545523218 940573128 /nfs/dbraw/zinc/57/31/28/940573128.db2.gz GHGKQCDABATMHN-IBGZPJMESA-N 0 3 418.375 4.351 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000547287805 941052505 /nfs/dbraw/zinc/05/25/05/941052505.db2.gz UEJIEJJYEBVSBC-SFHVURJKSA-N 0 3 407.511 4.272 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510499 941197551 /nfs/dbraw/zinc/19/75/51/941197551.db2.gz XWHAGAJXPNQLHF-KBXCAEBGSA-N 0 3 404.898 4.220 20 5 HIBDHN CCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555125416 942392623 /nfs/dbraw/zinc/39/26/23/942392623.db2.gz LFISONSEABYXOJ-PXNSSMCTSA-N 0 3 417.872 4.189 20 5 HIBDHN COc1ccc(OC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000560670851 944289112 /nfs/dbraw/zinc/28/91/12/944289112.db2.gz WTFMUGRHLVDNKZ-UHFFFAOYSA-N 0 3 423.469 4.344 20 5 HIBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000570502191 947268687 /nfs/dbraw/zinc/26/86/87/947268687.db2.gz DTUKZNOUTZRSLA-FZKQIMNGSA-N 0 3 420.307 4.087 20 5 HIBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726932 720441978 /nfs/dbraw/zinc/44/19/78/720441978.db2.gz CGXQVXMDKRWWSJ-OALUTQOASA-N 0 3 409.877 4.045 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987089 847975735 /nfs/dbraw/zinc/97/57/35/847975735.db2.gz OVCHMFZCPYZBDW-KBXCAEBGSA-N 0 3 407.561 4.336 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065087063 852059709 /nfs/dbraw/zinc/05/97/09/852059709.db2.gz JSBIUJRDYPDGGL-FQEVSTJZSA-N 0 3 422.510 4.285 20 5 HIBDHN CC[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000236952802 853941618 /nfs/dbraw/zinc/94/16/18/853941618.db2.gz OKAKSTXDDMRFQS-IBGZPJMESA-N 0 3 408.458 4.007 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(CC(F)(F)F)C3)o2)c(Cl)c1 ZINC000237864409 854110547 /nfs/dbraw/zinc/11/05/47/854110547.db2.gz IAQZTIUSVSBVFV-LLVKDONJSA-N 0 3 403.788 4.234 20 5 HIBDHN O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000301876408 854482472 /nfs/dbraw/zinc/48/24/72/854482472.db2.gz IVRILXURRCUPQS-LBPRGKRZSA-N 0 3 411.325 4.138 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995114 856035488 /nfs/dbraw/zinc/03/54/88/856035488.db2.gz KBBXCZJZUWUIGF-FXAWDEMLSA-N 0 3 408.502 4.104 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000437584765 862899642 /nfs/dbraw/zinc/89/96/42/862899642.db2.gz XZQMYSLSGSZHJS-SFHVURJKSA-N 0 3 424.419 4.060 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ncccc2Cl)CC1 ZINC000429209789 857556430 /nfs/dbraw/zinc/55/64/30/857556430.db2.gz FXYLJOJZLHDZPW-UHFFFAOYSA-N 0 3 402.882 4.160 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000430992271 858395501 /nfs/dbraw/zinc/39/55/01/858395501.db2.gz XZOXDXLFGXSROX-HNNXBMFYSA-N 0 3 401.488 4.031 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000430992273 858395702 /nfs/dbraw/zinc/39/57/02/858395702.db2.gz XZOXDXLFGXSROX-OAHLLOKOSA-N 0 3 401.488 4.031 20 5 HIBDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434853644 860523620 /nfs/dbraw/zinc/52/36/20/860523620.db2.gz BGGOXQSVKQDAMI-UHFFFAOYSA-N 0 3 409.421 4.330 20 5 HIBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437936349 863312396 /nfs/dbraw/zinc/31/23/96/863312396.db2.gz VFQDCOYVEFWBAY-NRFANRHFSA-N 0 3 408.502 4.106 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000439906484 865215484 /nfs/dbraw/zinc/21/54/84/865215484.db2.gz YPEIRARKUSUGIR-KRWDZBQOSA-N 0 3 412.490 4.122 20 5 HIBDHN O=[N+]([O-])c1ccc(NC2CCN(CCOc3ccc(F)cc3)CC2)c2ccncc21 ZINC000443941799 868477580 /nfs/dbraw/zinc/47/75/80/868477580.db2.gz PELMGAQWGWPHLE-UHFFFAOYSA-N 0 3 410.449 4.237 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000462389444 875499379 /nfs/dbraw/zinc/49/93/79/875499379.db2.gz RGMRQJLZRXOKEI-HXUWFJFHSA-N 0 3 424.545 4.253 20 5 HIBDHN COc1ccc(CN2CC[C@@H](C)[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377789 881152856 /nfs/dbraw/zinc/15/28/56/881152856.db2.gz PLLZMUOHVNHGFH-OPAMFIHVSA-N 0 3 400.475 4.039 20 5 HIBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000469561532 883815177 /nfs/dbraw/zinc/81/51/77/883815177.db2.gz CPBFWUBQRQUBQG-SFHVURJKSA-N 0 3 422.407 4.213 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000470181362 884469191 /nfs/dbraw/zinc/46/91/91/884469191.db2.gz BQUYYRJPAYCSPQ-SSZFMOIBSA-N 0 3 405.458 4.323 20 5 HIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000470642703 885067505 /nfs/dbraw/zinc/06/75/05/885067505.db2.gz RSTMVGQBVFYJCW-UHFFFAOYSA-N 0 3 414.428 4.138 20 5 HIBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473526181 888263320 /nfs/dbraw/zinc/26/33/20/888263320.db2.gz XVIBEBGMTKTAAW-UHFFFAOYSA-N 0 3 413.440 4.055 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474379421 889254254 /nfs/dbraw/zinc/25/42/54/889254254.db2.gz QSHPLXQGMOCEKZ-JOCHJYFZSA-N 0 3 416.449 4.307 20 5 HIBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000478941139 894222805 /nfs/dbraw/zinc/22/28/05/894222805.db2.gz STAQPMDHGUIEHY-IBGZPJMESA-N 0 3 401.532 4.376 20 5 HIBDHN C[C@H](O)[C@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459190 895844974 /nfs/dbraw/zinc/84/49/74/895844974.db2.gz HFHSMTUFQWDLAJ-AOMKIAJQSA-N 0 3 411.527 4.438 20 5 HIBDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496669 898077687 /nfs/dbraw/zinc/07/76/87/898077687.db2.gz RWYKYFOTBCFLJZ-HOCLYGCPSA-N 0 3 422.865 4.051 20 5 HIBDHN CC(=O)N[C@@H](C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000482516689 898104098 /nfs/dbraw/zinc/10/40/98/898104098.db2.gz CHVQGCBEIUGXHS-ZDUSSCGKSA-N 0 3 405.882 4.245 20 5 HIBDHN Cc1c([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534672 898121253 /nfs/dbraw/zinc/12/12/53/898121253.db2.gz JUFCDYBTENLLPE-IRXDYDNUSA-N 0 3 400.498 4.206 20 5 HIBDHN Cc1nn(Cc2ccc(C(=O)Nc3cc(CN(C)C)ccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000482589443 898187945 /nfs/dbraw/zinc/18/79/45/898187945.db2.gz YDWPHMPGTDOSTO-UHFFFAOYSA-N 0 3 421.501 4.079 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000485757352 901015046 /nfs/dbraw/zinc/01/50/46/901015046.db2.gz MOWHWRNBLPDTIO-GOSISDBHSA-N 0 3 417.531 4.138 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000487852751 902407117 /nfs/dbraw/zinc/40/71/17/902407117.db2.gz BYEURXJUTQNXDX-GOSISDBHSA-N 0 3 404.536 4.274 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489868843 903639904 /nfs/dbraw/zinc/63/99/04/903639904.db2.gz FVYSPSAHDYQVKX-QFIPXVFZSA-N 0 3 408.502 4.106 20 5 HIBDHN COc1cc(CNCCc2ccc(Cl)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491058479 904400654 /nfs/dbraw/zinc/40/06/54/904400654.db2.gz HGJMEHCTAQSVHY-UHFFFAOYSA-N 0 3 406.838 4.295 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960275 904966347 /nfs/dbraw/zinc/96/63/47/904966347.db2.gz LUYQVWKJJAEBDR-RTBURBONSA-N 0 3 410.518 4.270 20 5 HIBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345120 905092305 /nfs/dbraw/zinc/09/23/05/905092305.db2.gz VVWXZARUMMHFDQ-UZLBHIALSA-N 0 3 411.527 4.221 20 5 HIBDHN CCc1cc(N2CCC[C@H](N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037369 905379031 /nfs/dbraw/zinc/37/90/31/905379031.db2.gz GTAMRPWTIDMUCI-URXFXBBRSA-N 0 3 417.513 4.295 20 5 HIBDHN O=C(NCCN1CCC2(CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000512552484 921231102 /nfs/dbraw/zinc/23/11/02/921231102.db2.gz PBEINAQOVVWKIU-UHFFFAOYSA-N 0 3 413.440 4.390 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2cccs2)CC1 ZINC000497781652 907274072 /nfs/dbraw/zinc/27/40/72/907274072.db2.gz ZLWJPMBQSWLTGM-IBGZPJMESA-N 0 3 424.526 4.408 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)cc1 ZINC000498186899 907720956 /nfs/dbraw/zinc/72/09/56/907720956.db2.gz CKQZQVUFWIUZIS-NRFANRHFSA-N 0 3 404.470 4.018 20 5 HIBDHN C[C@H](NCC1(c2c(F)cccc2F)CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501980016 910962295 /nfs/dbraw/zinc/96/22/95/910962295.db2.gz HUULYIWIWQQHHA-AWEZNQCLSA-N 0 3 403.429 4.302 20 5 HIBDHN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000506491963 915098701 /nfs/dbraw/zinc/09/87/01/915098701.db2.gz BHTRORBCWOOZTI-UHFFFAOYSA-N 0 3 421.856 4.117 20 5 HIBDHN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507650713 916410710 /nfs/dbraw/zinc/41/07/10/916410710.db2.gz MVTGRVUZLKFGNN-UHFFFAOYSA-N 0 3 411.502 4.120 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(c2nc3ccccc3s2)CC1 ZINC000507915309 916792777 /nfs/dbraw/zinc/79/27/77/916792777.db2.gz SLBCRJCOVBYFAP-UHFFFAOYSA-N 0 3 412.515 4.362 20 5 HIBDHN CN(c1ccccc1)c1ccc(CNCCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000507940823 916808059 /nfs/dbraw/zinc/80/80/59/916808059.db2.gz LHHOLRKGJBBHHX-UHFFFAOYSA-N 0 3 410.518 4.245 20 5 HIBDHN COc1cc(C[NH2+]CCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000507941662 916808954 /nfs/dbraw/zinc/80/89/54/916808954.db2.gz NPGSTPNJLHFXDH-UHFFFAOYSA-N 0 3 408.454 4.220 20 5 HIBDHN O=C(CC1CCCC1)NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000508070921 916892175 /nfs/dbraw/zinc/89/21/75/916892175.db2.gz LEHYSAODICQPFQ-UHFFFAOYSA-N 0 3 415.465 4.312 20 5 HIBDHN NC(=O)CC1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000508609419 917377865 /nfs/dbraw/zinc/37/78/65/917377865.db2.gz QEECGABIGFEKEI-UHFFFAOYSA-N 0 3 403.866 4.128 20 5 HIBDHN COc1cc(CNCCN2CCC(C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509609333 918257465 /nfs/dbraw/zinc/25/74/65/918257465.db2.gz PKYHXNWOBGQTNK-UHFFFAOYSA-N 0 3 413.518 4.004 20 5 HIBDHN Cc1ccc(Sc2ccc(C(=O)N[C@H](C)C3=CCN(C)CC3)cc2[N+](=O)[O-])cc1 ZINC000511343010 919933976 /nfs/dbraw/zinc/93/39/76/919933976.db2.gz IYUPDADHWISYNP-MRXNPFEDSA-N 0 3 411.527 4.435 20 5 HIBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000514625428 922728950 /nfs/dbraw/zinc/72/89/50/922728950.db2.gz DUPOGBGCDPGUFX-IBGZPJMESA-N 0 3 405.882 4.068 20 5 HIBDHN COc1cccc(C[C@@H]2CCCN2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000515502546 923136843 /nfs/dbraw/zinc/13/68/43/923136843.db2.gz AGAAQRQMTFZFJL-INIZCTEOSA-N 0 3 422.428 4.421 20 5 HIBDHN C[C@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000521182663 929048805 /nfs/dbraw/zinc/04/88/05/929048805.db2.gz VQMGPHLWCLLUTP-SFHVURJKSA-N 0 3 410.518 4.040 20 5 HIBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000524727545 929812961 /nfs/dbraw/zinc/81/29/61/929812961.db2.gz AXSAKBVDVCWDCB-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354441 930193002 /nfs/dbraw/zinc/19/30/02/930193002.db2.gz JJUQNHCPMRFSNI-NQIIRXRSSA-N 0 3 410.518 4.052 20 5 HIBDHN Cc1ccc(Sc2ccc(CNCCNC(=O)C(C)(C)C)cc2[N+](=O)[O-])cc1 ZINC000525695408 930407262 /nfs/dbraw/zinc/40/72/62/930407262.db2.gz ZPTCZHYYKFRUHN-UHFFFAOYSA-N 0 3 401.532 4.306 20 5 HIBDHN CN(C)Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 ZINC000531109940 930923052 /nfs/dbraw/zinc/92/30/52/930923052.db2.gz PPFXIQZLRVJHFB-UHFFFAOYSA-N 0 3 410.477 4.315 20 5 HIBDHN COc1cc(CNCCc2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532764232 931626034 /nfs/dbraw/zinc/62/60/34/931626034.db2.gz KJBCGEVXJCONDZ-UHFFFAOYSA-N 0 3 423.391 4.358 20 5 HIBDHN CCOc1ccc([C@@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532902234 931685380 /nfs/dbraw/zinc/68/53/80/931685380.db2.gz WGGQFKAQGRNHPY-IBGZPJMESA-N 0 3 411.458 4.129 20 5 HIBDHN CC(C)c1nc([C@H]2CCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000533404702 931859588 /nfs/dbraw/zinc/85/95/88/931859588.db2.gz RFGXVBFLBQAYOT-INIZCTEOSA-N 0 3 411.462 4.178 20 5 HIBDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000535209494 933015968 /nfs/dbraw/zinc/01/59/68/933015968.db2.gz BIIIJZUGOUHNNH-AWEZNQCLSA-N 0 3 418.519 4.474 20 5 HIBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000562900943 945145876 /nfs/dbraw/zinc/14/58/76/945145876.db2.gz JFJSVVNQCNNBQH-UHFFFAOYSA-N 0 3 407.392 4.008 20 5 HIBDHN C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539021313 938771387 /nfs/dbraw/zinc/77/13/87/938771387.db2.gz SICBFBUIRSOLKK-OLZOCXBDSA-N 0 3 406.280 4.425 20 5 HIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000539120438 938805825 /nfs/dbraw/zinc/80/58/25/938805825.db2.gz MQCRPFQTGPPYGK-HNNXBMFYSA-N 0 3 401.467 4.180 20 5 HIBDHN COc1cc(CNCCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])cc1OC ZINC000539530721 938874266 /nfs/dbraw/zinc/87/42/66/938874266.db2.gz WDIXPSMQQIVKMA-UHFFFAOYSA-N 0 3 407.879 4.207 20 5 HIBDHN O=C1C[C@H]([C@@H]2CCCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924220 938978232 /nfs/dbraw/zinc/97/82/32/938978232.db2.gz WLPGDNZDVYYHLT-LPHOPBHVSA-N 0 3 413.449 4.017 20 5 HIBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1=CCN(C)CC1 ZINC000541749330 939620153 /nfs/dbraw/zinc/62/01/53/939620153.db2.gz MQMUGRVEJGSVOV-OAHLLOKOSA-N 0 3 403.548 4.257 20 5 HIBDHN COc1cc(CNC[C@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000541779969 939628242 /nfs/dbraw/zinc/62/82/42/939628242.db2.gz SITGYRMPCWYXMA-JTQLQIEISA-N 0 3 419.425 4.203 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000542843835 939862369 /nfs/dbraw/zinc/86/23/69/939862369.db2.gz IJKXPBLUUNXUBX-GOSISDBHSA-N 0 3 419.428 4.072 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000543139189 939966336 /nfs/dbraw/zinc/96/63/36/939966336.db2.gz BIFHPNBXWLKMCG-INIZCTEOSA-N 0 3 410.392 4.018 20 5 HIBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580784 940117956 /nfs/dbraw/zinc/11/79/56/940117956.db2.gz FJNWHOUTFLGMEK-AUUYWEPGSA-N 0 3 403.548 4.090 20 5 HIBDHN Cc1ccnc(OC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000543908491 940237819 /nfs/dbraw/zinc/23/78/19/940237819.db2.gz NYZSUTPYUGPAME-UHFFFAOYSA-N 0 3 408.458 4.039 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000544069247 940316597 /nfs/dbraw/zinc/31/65/97/940316597.db2.gz LSEVLBQIHYUAET-QGZVFWFLSA-N 0 3 410.392 4.018 20 5 HIBDHN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@]12CCCO2 ZINC000545548600 940574301 /nfs/dbraw/zinc/57/43/01/940574301.db2.gz UZSWFYSFFJIJFN-XUVXKRRUSA-N 0 3 406.866 4.324 20 5 HIBDHN CSc1cccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000564018275 945351126 /nfs/dbraw/zinc/35/11/26/945351126.db2.gz GDYSYKHPPCCOSI-SFHVURJKSA-N 0 3 417.531 4.137 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000549085656 941155068 /nfs/dbraw/zinc/15/50/68/941155068.db2.gz FNHNBRVRURONAD-QFIPXVFZSA-N 0 3 411.502 4.197 20 5 HIBDHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000551568875 941503485 /nfs/dbraw/zinc/50/34/85/941503485.db2.gz AFSVBSDASKUYPE-FOIQADDNSA-N 0 3 422.909 4.288 20 5 HIBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000553219622 941852032 /nfs/dbraw/zinc/85/20/32/941852032.db2.gz DVAUKFNVIMQNBH-HNNXBMFYSA-N 0 3 401.463 4.070 20 5 HIBDHN CC(C)[C@@H](CC(F)(F)F)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934868 942324650 /nfs/dbraw/zinc/32/46/50/942324650.db2.gz KTUZXNWNOZAIMW-GFCCVEGCSA-N 0 3 416.181 4.266 20 5 HIBDHN COc1ccc([C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)N2CCCCC2)cc1 ZINC000557476913 943154595 /nfs/dbraw/zinc/15/45/95/943154595.db2.gz GYOQREMWJPRBKF-KRWDZBQOSA-N 0 3 413.503 4.247 20 5 HIBDHN Cc1c(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000558222947 943442480 /nfs/dbraw/zinc/44/24/80/943442480.db2.gz UKDJZMUXDOFTHL-HXUWFJFHSA-N 0 3 400.479 4.115 20 5 HIBDHN CCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000560553887 944252410 /nfs/dbraw/zinc/25/24/10/944252410.db2.gz NQBLRODCKCWFTN-VHSSKADRSA-N 0 3 414.449 4.230 20 5 HIBDHN Cc1cccnc1OC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000564406914 945560078 /nfs/dbraw/zinc/56/00/78/945560078.db2.gz PZMNTWXKASIVCU-UHFFFAOYSA-N 0 3 408.458 4.039 20 5 HIBDHN CC[C@@H](CC(F)(F)F)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000565374121 945818463 /nfs/dbraw/zinc/81/84/63/945818463.db2.gz LCJKQACGPOGUQI-JTQLQIEISA-N 0 3 402.154 4.020 20 5 HIBDHN C[C@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912231 946747947 /nfs/dbraw/zinc/74/79/47/946747947.db2.gz VULRSSFNSKYELC-KKSFZXQISA-N 0 3 408.527 4.471 20 5 HIBDHN CC[C@H](C)N[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513627 947922502 /nfs/dbraw/zinc/92/25/02/947922502.db2.gz WWISCIZZSYRJRD-XJKSGUPXSA-N 0 3 414.487 4.171 20 5 HIBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)ccc21 ZINC001164722522 720399501 /nfs/dbraw/zinc/39/95/01/720399501.db2.gz DDIFCVWQTLNANX-OALUTQOASA-N 0 3 409.877 4.045 20 5 HIBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726937 720442443 /nfs/dbraw/zinc/44/24/43/720442443.db2.gz CGXQVXMDKRWWSJ-RBUKOAKNSA-N 0 3 409.877 4.045 20 5 HIBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731093 720478610 /nfs/dbraw/zinc/47/86/10/720478610.db2.gz VPVAABMCAAKCTL-VQTJNVASSA-N 0 3 419.460 4.044 20 5 HIBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000025536230 846994821 /nfs/dbraw/zinc/99/48/21/846994821.db2.gz LQJDPBUTABITOV-HXUWFJFHSA-N 0 3 401.894 4.061 20 5 HIBDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000026226367 847107404 /nfs/dbraw/zinc/10/74/04/847107404.db2.gz YZHVJOPXJARHBY-UHFFFAOYSA-N 0 3 412.273 4.371 20 5 HIBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000026644950 847179974 /nfs/dbraw/zinc/17/99/74/847179974.db2.gz ODYSAKXQYWYTBK-UHFFFAOYSA-N 0 3 409.486 4.135 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000027110322 847248760 /nfs/dbraw/zinc/24/87/60/847248760.db2.gz CGIVMVRJFWIUQM-SFHVURJKSA-N 0 3 403.866 4.423 20 5 HIBDHN CC(=O)c1ccc(NCCCCN2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000029587451 847584517 /nfs/dbraw/zinc/58/45/17/847584517.db2.gz LWMMUGNNCYIPRF-UHFFFAOYSA-N 0 3 410.518 4.120 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000061503358 851391481 /nfs/dbraw/zinc/39/14/81/851391481.db2.gz GILRAVUURVWJQK-HSZRJFAPSA-N 0 3 422.529 4.070 20 5 HIBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065931734 852321825 /nfs/dbraw/zinc/32/18/25/852321825.db2.gz BYSXEEWILJFCRZ-UHFFFAOYSA-N 0 3 401.463 4.153 20 5 HIBDHN COC(=O)/C=C/c1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000071844763 852416629 /nfs/dbraw/zinc/41/66/29/852416629.db2.gz VRARZKKYIALEPW-PDFOZTTASA-N 0 3 401.488 4.092 20 5 HIBDHN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000217386596 853862422 /nfs/dbraw/zinc/86/24/22/853862422.db2.gz WBCFLGCOSCZCNU-UHFFFAOYSA-N 0 3 409.408 4.335 20 5 HIBDHN CC[C@H](C)NC(=O)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236975901 853945169 /nfs/dbraw/zinc/94/51/69/853945169.db2.gz AHSQQYVVEHGZBR-AWEZNQCLSA-N 0 3 405.882 4.435 20 5 HIBDHN CC[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000237020851 853952433 /nfs/dbraw/zinc/95/24/33/853952433.db2.gz OKAKSTXDDMRFQS-LJQANCHMSA-N 0 3 408.458 4.007 20 5 HIBDHN COc1cc(CNCc2ccc(O)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237100344 853963859 /nfs/dbraw/zinc/96/38/59/853963859.db2.gz BDWMIUMVDYZIHT-UHFFFAOYSA-N 0 3 412.417 4.317 20 5 HIBDHN CN(C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237178258 853976134 /nfs/dbraw/zinc/97/61/34/853976134.db2.gz FOBQAIZASDLOJI-IBGZPJMESA-N 0 3 400.479 4.250 20 5 HIBDHN Cn1cc(CNCc2cc(Br)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237930288 854120864 /nfs/dbraw/zinc/12/08/64/854120864.db2.gz VIUGGODXPWRIGQ-UHFFFAOYSA-N 0 3 407.293 4.109 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(O)cc2)cc1 ZINC000237991457 854129517 /nfs/dbraw/zinc/12/95/17/854129517.db2.gz RULYIDAYCWMOST-UHFFFAOYSA-N 0 3 400.438 4.443 20 5 HIBDHN O=C(CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1Cc2ccccc2C1 ZINC000237997931 854130929 /nfs/dbraw/zinc/13/09/29/854130929.db2.gz HCCWPXCQLXRECO-UHFFFAOYSA-N 0 3 422.510 4.131 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNc3ccccc3CN3CCC(O)CC3)cs2)c1 ZINC000238161581 854149612 /nfs/dbraw/zinc/14/96/12/854149612.db2.gz BPADHIYLLSLPQQ-UHFFFAOYSA-N 0 3 424.526 4.287 20 5 HIBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261421977 854256102 /nfs/dbraw/zinc/25/61/02/854256102.db2.gz HZWBXDMDQKMWMX-CXAGYDPISA-N 0 3 411.380 4.020 20 5 HIBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000426005109 856042159 /nfs/dbraw/zinc/04/21/59/856042159.db2.gz WTMCLVLYSHESTA-UHFFFAOYSA-N 0 3 420.395 4.037 20 5 HIBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426044426 856069710 /nfs/dbraw/zinc/06/97/10/856069710.db2.gz SIBOJUOHZRCAPR-QFIPXVFZSA-N 0 3 408.502 4.106 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000437584722 862899130 /nfs/dbraw/zinc/89/91/30/862899130.db2.gz XZQMYSLSGSZHJS-GOSISDBHSA-N 0 3 424.419 4.060 20 5 HIBDHN CC(C)(C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000429889632 857929487 /nfs/dbraw/zinc/92/94/87/857929487.db2.gz NRZYWWSPVCZTIY-UHFFFAOYSA-N 0 3 413.543 4.102 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000430229111 858089476 /nfs/dbraw/zinc/08/94/76/858089476.db2.gz FKOXKDRIGNRGJO-WZONZLPQSA-N 0 3 420.469 4.207 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433303903 859627659 /nfs/dbraw/zinc/62/76/59/859627659.db2.gz MDMXNRAKHLNACE-OAHLLOKOSA-N 0 3 403.866 4.075 20 5 HIBDHN COc1ccc(NC(=O)CCN2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433318271 859637495 /nfs/dbraw/zinc/63/74/95/859637495.db2.gz KYOWUUDUWBCELZ-OAHLLOKOSA-N 0 3 403.866 4.075 20 5 HIBDHN CC(C)c1ccccc1OC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438821118 864314629 /nfs/dbraw/zinc/31/46/29/864314629.db2.gz RQUKHVCURCQILS-LJQANCHMSA-N 0 3 414.502 4.001 20 5 HIBDHN COC1(CO)CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000447066369 870947017 /nfs/dbraw/zinc/94/70/17/870947017.db2.gz KIELBPGJJCSGMA-UHFFFAOYSA-N 0 3 406.866 4.014 20 5 HIBDHN O=C(Nc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1cccnc1 ZINC000447527855 871394187 /nfs/dbraw/zinc/39/41/87/871394187.db2.gz GGJDSSJSBUAXPL-JOCHJYFZSA-N 0 3 402.454 4.409 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000460855783 873756759 /nfs/dbraw/zinc/75/67/59/873756759.db2.gz KYHVXGZTKNZVFJ-LJQANCHMSA-N 0 3 423.435 4.355 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000462389443 875499241 /nfs/dbraw/zinc/49/92/41/875499241.db2.gz RGMRQJLZRXOKEI-FQEVSTJZSA-N 0 3 424.545 4.253 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000462752492 875818356 /nfs/dbraw/zinc/81/83/56/875818356.db2.gz AKPNUTNRVGMFFG-MJGOQNOKSA-N 0 3 401.532 4.178 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000462752490 875818371 /nfs/dbraw/zinc/81/83/71/875818371.db2.gz AKPNUTNRVGMFFG-HKUYNNGSSA-N 0 3 401.532 4.178 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCN(c4ccccc4F)C3)cs2)c1 ZINC000462910449 875935701 /nfs/dbraw/zinc/93/57/01/875935701.db2.gz RAXYRPRPTKJHCM-HNNXBMFYSA-N 0 3 412.490 4.474 20 5 HIBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463709821 876829237 /nfs/dbraw/zinc/82/92/37/876829237.db2.gz LGEKMLGGJGLRNA-INIZCTEOSA-N 0 3 407.392 4.008 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466513082 880288011 /nfs/dbraw/zinc/28/80/11/880288011.db2.gz GYAMZCPYQAXBJD-WIYYLYMNSA-N 0 3 410.518 4.178 20 5 HIBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@H]1C ZINC000470155582 884428122 /nfs/dbraw/zinc/42/81/22/884428122.db2.gz ZOGUFBAYVIXXMV-FZMZJTMJSA-N 0 3 423.263 4.001 20 5 HIBDHN COc1ccc(CNC(=O)C2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000470177719 884458449 /nfs/dbraw/zinc/45/84/49/884458449.db2.gz FALURNPDKBIYDZ-JXAWBTAJSA-N 0 3 423.513 4.035 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000470184397 884473912 /nfs/dbraw/zinc/47/39/12/884473912.db2.gz SCMSZEHMHPTJHA-OBGWFSINSA-N 0 3 405.498 4.299 20 5 HIBDHN Cn1c2ccccc2nc1C(C)(C)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000473172138 887948372 /nfs/dbraw/zinc/94/83/72/887948372.db2.gz WAQUVXCJNDUCSU-UHFFFAOYSA-N 0 3 405.458 4.204 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2cccc(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474373881 889251135 /nfs/dbraw/zinc/25/11/35/889251135.db2.gz NRKANWZBRJEKMU-OAQYLSRUSA-N 0 3 400.475 4.332 20 5 HIBDHN O=[N+]([O-])c1cc(CN(CCO)[C@H]2CCCSC2)ccc1Oc1ccc(F)cc1 ZINC000475507528 890424409 /nfs/dbraw/zinc/42/44/09/890424409.db2.gz GGIQWZCPVMCTJN-KRWDZBQOSA-N 0 3 406.479 4.216 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000477616076 892713780 /nfs/dbraw/zinc/71/37/80/892713780.db2.gz YIPYBMHSRJBUFU-IBGZPJMESA-N 0 3 401.894 4.432 20 5 HIBDHN Cc1c(CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000478517364 893824845 /nfs/dbraw/zinc/82/48/45/893824845.db2.gz RDSJIFJIPCIADJ-LBPRGKRZSA-N 0 3 406.280 4.173 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000481773995 897158674 /nfs/dbraw/zinc/15/86/74/897158674.db2.gz CNGQTUDQOZUQKA-UHFFFAOYSA-N 0 3 415.877 4.375 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(c4nnc5n4CCCC5)CC3)o2)cc1 ZINC000482489864 898068235 /nfs/dbraw/zinc/06/82/35/898068235.db2.gz WFNAVILIEMJHEF-UHFFFAOYSA-N 0 3 407.474 4.162 20 5 HIBDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496667 898077736 /nfs/dbraw/zinc/07/77/36/898077736.db2.gz RWYKYFOTBCFLJZ-GDBMZVCRSA-N 0 3 422.865 4.051 20 5 HIBDHN CC[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543295 898131951 /nfs/dbraw/zinc/13/19/51/898131951.db2.gz LKHTTYQRJJZKRO-IIBYNOLFSA-N 0 3 400.498 4.288 20 5 HIBDHN C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000482883926 898497193 /nfs/dbraw/zinc/49/71/93/898497193.db2.gz BJHCTUSRRZECSM-CQSZACIVSA-N 0 3 420.307 4.057 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000484408331 899931620 /nfs/dbraw/zinc/93/16/20/899931620.db2.gz UJYFRIKSHPIUPZ-UHFFFAOYSA-N 0 3 415.515 4.066 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000485143903 900444319 /nfs/dbraw/zinc/44/43/19/900444319.db2.gz GNEAGEOAAUPJFG-OAHLLOKOSA-N 0 3 413.446 4.071 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486466378 901628180 /nfs/dbraw/zinc/62/81/80/901628180.db2.gz XBHXJYLQCUAHSX-XRNHCUPBSA-N 0 3 408.502 4.387 20 5 HIBDHN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000487182102 902089687 /nfs/dbraw/zinc/08/96/87/902089687.db2.gz ABGIIQLVFNYQKH-KKSFZXQISA-N 0 3 404.470 4.078 20 5 HIBDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490072266 903758846 /nfs/dbraw/zinc/75/88/46/903758846.db2.gz ARJVVVKLMWRDLP-IBGZPJMESA-N 0 3 405.882 4.205 20 5 HIBDHN O=C(c1ccco1)N1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491388259 904572304 /nfs/dbraw/zinc/57/23/04/904572304.db2.gz ZPPZROTWPJHKPW-JOCHJYFZSA-N 0 3 405.454 4.172 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000493030962 904994435 /nfs/dbraw/zinc/99/44/35/904994435.db2.gz HNGVWMCYLWUGRB-HNNXBMFYSA-N 0 3 420.460 4.016 20 5 HIBDHN Cc1ccc([C@@H](NCCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493279602 905078251 /nfs/dbraw/zinc/07/82/51/905078251.db2.gz YZJCSBHHXLOVNU-HSZRJFAPSA-N 0 3 424.522 4.228 20 5 HIBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493560477 905163612 /nfs/dbraw/zinc/16/36/12/905163612.db2.gz XCTFUEFPRNWACT-IFXJQAMLSA-N 0 3 415.877 4.207 20 5 HIBDHN Cc1c(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cccc1[N+](=O)[O-] ZINC000493819297 905226775 /nfs/dbraw/zinc/22/67/75/905226775.db2.gz MNMQYIXJEMDNPQ-OAHLLOKOSA-N 0 3 419.407 4.344 20 5 HIBDHN C[C@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494070121 905409157 /nfs/dbraw/zinc/40/91/57/905409157.db2.gz VBPJHBIAJVOUHC-SUMWQHHRSA-N 0 3 407.392 4.006 20 5 HIBDHN Cc1ccnc(-c2nnc([C@H](C)[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])[n-]2)c1 ZINC000494375503 905673326 /nfs/dbraw/zinc/67/33/26/905673326.db2.gz QEDHAUXVJYJLDH-XYJFISCASA-N 0 3 406.490 4.145 20 5 HIBDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000512457356 921174471 /nfs/dbraw/zinc/17/44/71/921174471.db2.gz RXMGJCIAAAQSSA-OAHLLOKOSA-N 0 3 419.909 4.492 20 5 HIBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccnc(Oc2ccccc2F)c1 ZINC000494497413 905785918 /nfs/dbraw/zinc/78/59/18/905785918.db2.gz ROHFCIPJOLTHTN-HNNXBMFYSA-N 0 3 424.432 4.428 20 5 HIBDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497569692 907055158 /nfs/dbraw/zinc/05/51/58/907055158.db2.gz QKIVCNZQAQMMKU-IBGZPJMESA-N 0 3 411.477 4.137 20 5 HIBDHN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000497957462 907426708 /nfs/dbraw/zinc/42/67/08/907426708.db2.gz JKXGTPDVKXRPBO-XLIONFOSSA-N 0 3 413.543 4.371 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000499684780 908876363 /nfs/dbraw/zinc/87/63/63/908876363.db2.gz OWWCBAGSIRJFTR-KRWDZBQOSA-N 0 3 424.423 4.009 20 5 HIBDHN CN(c1ccccc1)c1ccc(CNCCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000500892220 910163824 /nfs/dbraw/zinc/16/38/24/910163824.db2.gz GUMZUPBENRWHHF-UHFFFAOYSA-N 0 3 404.470 4.481 20 5 HIBDHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501960727 910947880 /nfs/dbraw/zinc/94/78/80/910947880.db2.gz YQCUTHLLVYVWBI-APWZRJJASA-N 0 3 406.486 4.374 20 5 HIBDHN Cn1cc(CN2CCC(OCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506278942 914880460 /nfs/dbraw/zinc/88/04/60/914880460.db2.gz CZSJIIXVSQUOCT-UHFFFAOYSA-N 0 3 406.486 4.177 20 5 HIBDHN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1)N(C)C ZINC000508848203 917600840 /nfs/dbraw/zinc/60/08/40/917600840.db2.gz OVIFLNOUINQRAP-PXAZEXFGSA-N 0 3 408.405 4.009 20 5 HIBDHN CCN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C[C@H]1CCCO1 ZINC000511539498 920162335 /nfs/dbraw/zinc/16/23/35/920162335.db2.gz FCMZVTBOPWMVGX-HXUWFJFHSA-N 0 3 400.475 4.183 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccsc1 ZINC000513730938 922052088 /nfs/dbraw/zinc/05/20/88/922052088.db2.gz PTHKMDXZJFWUQM-OAHLLOKOSA-N 0 3 413.446 4.071 20 5 HIBDHN CCC[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCc2sccc2C1 ZINC000514991476 922870337 /nfs/dbraw/zinc/87/03/37/922870337.db2.gz VDJMSRNOICQURD-WOJBJXKFSA-N 0 3 413.543 4.377 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000519843330 928090957 /nfs/dbraw/zinc/09/09/57/928090957.db2.gz QEDFEHXVINVAHL-SFHVURJKSA-N 0 3 423.485 4.066 20 5 HIBDHN COc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000521819364 929475717 /nfs/dbraw/zinc/47/57/17/929475717.db2.gz AWCAXZHMPHADCF-SFHVURJKSA-N 0 3 407.873 4.323 20 5 HIBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524946888 929908192 /nfs/dbraw/zinc/90/81/92/929908192.db2.gz HKGOOBPWEIXNEN-HOYKHHGWSA-N 0 3 421.497 4.234 20 5 HIBDHN CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677202 931147951 /nfs/dbraw/zinc/14/79/51/931147951.db2.gz KGHCRVGQDIFSAX-IIBYNOLFSA-N 0 3 419.547 4.427 20 5 HIBDHN O=C(CN[C@@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532701735 931595138 /nfs/dbraw/zinc/59/51/38/931595138.db2.gz RORBUCRJRGNGMG-IBGZPJMESA-N 0 3 418.291 4.427 20 5 HIBDHN C[C@@H]1SCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000533289317 931829162 /nfs/dbraw/zinc/82/91/62/931829162.db2.gz DOSPYXKUASYOFN-MGPUTAFESA-N 0 3 413.499 4.071 20 5 HIBDHN C[C@H]1SCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000533289316 931829292 /nfs/dbraw/zinc/82/92/92/931829292.db2.gz DOSPYXKUASYOFN-FOIQADDNSA-N 0 3 413.499 4.071 20 5 HIBDHN COc1cc(CNC[C@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533562972 931901872 /nfs/dbraw/zinc/90/18/72/931901872.db2.gz NWNMUWWOPNGTKP-JTQLQIEISA-N 0 3 417.384 4.043 20 5 HIBDHN COc1ccccc1-c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000537634414 938341838 /nfs/dbraw/zinc/34/18/38/938341838.db2.gz JLXYNDPSDLDJIO-LJQANCHMSA-N 0 3 404.470 4.352 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000538788101 938711943 /nfs/dbraw/zinc/71/19/43/938711943.db2.gz KFOSZFTUPWTTNM-KGLIPLIRSA-N 0 3 401.438 4.079 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000539326967 938842309 /nfs/dbraw/zinc/84/23/09/938842309.db2.gz RLMOHDQOOVHNKV-NRFANRHFSA-N 0 3 401.438 4.202 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540410613 939239232 /nfs/dbraw/zinc/23/92/32/939239232.db2.gz UGBGLWXRGDKKHY-OAQYLSRUSA-N 0 3 401.438 4.202 20 5 HIBDHN O=C(CN[C@H](c1ccccc1)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540592004 939313756 /nfs/dbraw/zinc/31/37/56/939313756.db2.gz HNYXBKJPFWTTEB-HXUWFJFHSA-N 0 3 408.483 4.398 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000542525488 939837139 /nfs/dbraw/zinc/83/71/39/939837139.db2.gz JTNGBXSNFZMZOO-IBGZPJMESA-N 0 3 416.524 4.004 20 5 HIBDHN COc1cc(CNC[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543621212 940136753 /nfs/dbraw/zinc/13/67/53/940136753.db2.gz JALUMZHCFSMODF-SNVBAGLBSA-N 0 3 419.425 4.203 20 5 HIBDHN O=[N+]([O-])c1ccccc1NCCc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000544537978 940474734 /nfs/dbraw/zinc/47/47/34/940474734.db2.gz XXNVSSFZMOSFLC-UHFFFAOYSA-N 0 3 407.474 4.012 20 5 HIBDHN CN(Cc1ccccc1)Cc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000546488232 940833788 /nfs/dbraw/zinc/83/37/88/940833788.db2.gz DSOXGHYDOOAVFR-UHFFFAOYSA-N 0 3 415.453 4.263 20 5 HIBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546887644 940901605 /nfs/dbraw/zinc/90/16/05/940901605.db2.gz BYASTQODSPQUQI-QGZVFWFLSA-N 0 3 402.882 4.377 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510515 941197585 /nfs/dbraw/zinc/19/75/85/941197585.db2.gz XWHAGAJXPNQLHF-RDTXWAMCSA-N 0 3 404.898 4.220 20 5 HIBDHN CC(C)c1ccc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000550064392 941277689 /nfs/dbraw/zinc/27/76/89/941277689.db2.gz JJKWANGAIVYIEZ-UHFFFAOYSA-N 0 3 410.518 4.156 20 5 HIBDHN COc1cc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000552292312 941623979 /nfs/dbraw/zinc/62/39/79/941623979.db2.gz MSHMGQTYLSLOJJ-SAZUREKKSA-N 0 3 410.392 4.422 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000553667965 941940444 /nfs/dbraw/zinc/94/04/44/941940444.db2.gz IWCFWPPIKAOCJJ-LJQANCHMSA-N 0 3 405.882 4.068 20 5 HIBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000553852160 941983159 /nfs/dbraw/zinc/98/31/59/941983159.db2.gz AQTCXPJEGBDLCA-SJORKVTESA-N 0 3 400.422 4.032 20 5 HIBDHN CCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555125414 942392820 /nfs/dbraw/zinc/39/28/20/942392820.db2.gz LFISONSEABYXOJ-FXAWDEMLSA-N 0 3 417.872 4.189 20 5 HIBDHN COc1cccc([C@@H]2[C@H](NCc3ccc(Cl)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000555127456 942393825 /nfs/dbraw/zinc/39/38/25/942393825.db2.gz CZFRFIBPMIJHQM-TZIWHRDSSA-N 0 3 401.894 4.324 20 5 HIBDHN CSc1ccc([C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000555263027 942452290 /nfs/dbraw/zinc/45/22/90/942452290.db2.gz BWHIOCKKDPZXPV-FQEVSTJZSA-N 0 3 416.547 4.170 20 5 HIBDHN Cc1ccc([C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000556868848 942944126 /nfs/dbraw/zinc/94/41/26/942944126.db2.gz XAVYAVUIIRLIER-PKTZIBPZSA-N 0 3 419.529 4.153 20 5 HIBDHN Cn1ccnc1[C@H](NCCN1CCC2(CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000556887730 942951816 /nfs/dbraw/zinc/95/18/16/942951816.db2.gz DTHPOAKONYWGQF-OAQYLSRUSA-N 0 3 411.550 4.054 20 5 HIBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(CN(C)C)c1 ZINC000559580711 944010703 /nfs/dbraw/zinc/01/07/03/944010703.db2.gz HSIPGQDURWWCTQ-UHFFFAOYSA-N 0 3 406.280 4.288 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000565736546 945874643 /nfs/dbraw/zinc/87/46/43/945874643.db2.gz GLMZAFIKDTZWOV-DYESRHJHSA-N 0 3 415.559 4.305 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000565736549 945874778 /nfs/dbraw/zinc/87/47/78/945874778.db2.gz GLMZAFIKDTZWOV-LAUBAEHRSA-N 0 3 415.559 4.305 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@H](O)C(F)(F)F)o2)c(Br)c1 ZINC000565859302 945897096 /nfs/dbraw/zinc/89/70/96/945897096.db2.gz BNBSAPLEHMMCFP-AWEZNQCLSA-N 0 3 423.185 4.020 20 5 HIBDHN COc1ccc([C@H](Cc2ccccc2)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000570205581 947141108 /nfs/dbraw/zinc/14/11/08/947141108.db2.gz JRNBDLYAJGXMTG-QHCPKHFHSA-N 0 3 419.481 4.424 20 5 HIBDHN CC[C@H](C)N[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513624 947923359 /nfs/dbraw/zinc/92/33/59/947923359.db2.gz WWISCIZZSYRJRD-BBRMVZONSA-N 0 3 414.487 4.171 20 5 HIBDHN C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000574144169 948375446 /nfs/dbraw/zinc/37/54/46/948375446.db2.gz XEHGAADUNHSZOI-AWEZNQCLSA-N 0 3 408.545 4.331 20 5 HIBDHN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626062 719066549 /nfs/dbraw/zinc/06/65/49/719066549.db2.gz NZWGMGHPNLCRGS-DOTOQJQBSA-N 0 3 422.863 4.289 20 5 HIBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001164622865 719070882 /nfs/dbraw/zinc/07/08/82/719070882.db2.gz JDTQNUOPAJUXBS-CRAIPNDOSA-N 0 3 422.863 4.289 20 5 HIBDHN C[C@H]1CN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164635844 719255719 /nfs/dbraw/zinc/25/57/19/719255719.db2.gz QRZQFPUQEZCMLE-IRXDYDNUSA-N 0 3 406.486 4.251 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000064934742 852024267 /nfs/dbraw/zinc/02/42/67/852024267.db2.gz YZDSQJYFKDOWFC-MAUKXSAKSA-N 0 3 422.510 4.284 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000065121839 852071844 /nfs/dbraw/zinc/07/18/44/852071844.db2.gz XKMZPYCZPWHAPP-GOSISDBHSA-N 0 3 409.408 4.427 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 ZINC000109870952 853025929 /nfs/dbraw/zinc/02/59/29/853025929.db2.gz DSGAQXBWGTYIBO-IBGZPJMESA-N 0 3 412.515 4.341 20 5 HIBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCN(CCCc2ccccc2)CC1 ZINC000110200239 853073312 /nfs/dbraw/zinc/07/33/12/853073312.db2.gz LMOZRSPLPGYSKY-UHFFFAOYSA-N 0 3 401.894 4.029 20 5 HIBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@H](C)O1 ZINC000110414248 853097484 /nfs/dbraw/zinc/09/74/84/853097484.db2.gz HOGXYGHFQPDYDM-KDURUIRLSA-N 0 3 417.553 4.349 20 5 HIBDHN COc1cc(CN[C@H]2C[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000437240647 862452558 /nfs/dbraw/zinc/45/25/58/862452558.db2.gz NKJXFPYJQHILOW-MQMHXKEQSA-N 0 3 410.392 4.422 20 5 HIBDHN COc1cc(CNCCc2csc(C)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237203935 853982046 /nfs/dbraw/zinc/98/20/46/853982046.db2.gz CJNRSIANGPTYNQ-UHFFFAOYSA-N 0 3 413.499 4.280 20 5 HIBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000437274994 862519586 /nfs/dbraw/zinc/51/95/86/862519586.db2.gz IOYBLDHKGBVMMW-UHFFFAOYSA-N 0 3 421.419 4.350 20 5 HIBDHN O=C(CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NCc1ccccc1 ZINC000237880064 854113665 /nfs/dbraw/zinc/11/36/65/854113665.db2.gz HRKAGBFRBYTIRW-UHFFFAOYSA-N 0 3 423.444 4.322 20 5 HIBDHN O=C(NCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000237929841 854120845 /nfs/dbraw/zinc/12/08/45/854120845.db2.gz GNWKQOMSAJOUTH-UHFFFAOYSA-N 0 3 415.833 4.153 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)s1 ZINC000237963965 854126805 /nfs/dbraw/zinc/12/68/05/854126805.db2.gz OTMLHBCDJIUGBP-NRFANRHFSA-N 0 3 423.538 4.486 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccc(-n4cccn4)cc3)cs2)c1 ZINC000238006744 854132734 /nfs/dbraw/zinc/13/27/34/854132734.db2.gz VOBGJWZSLPRJJP-UHFFFAOYSA-N 0 3 405.483 4.236 20 5 HIBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261421979 854256181 /nfs/dbraw/zinc/25/61/81/854256181.db2.gz HZWBXDMDQKMWMX-SUMWQHHRSA-N 0 3 411.380 4.020 20 5 HIBDHN Cc1cc(Cc2noc([C@@H]3CN(C(C)(C)C)C[C@H]3C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000426411316 856279328 /nfs/dbraw/zinc/27/93/28/856279328.db2.gz LSAJLJULYNOEKI-ZIAGYGMSSA-N 0 3 412.412 4.253 20 5 HIBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000427373361 856800143 /nfs/dbraw/zinc/80/01/43/856800143.db2.gz XQPOHVBCMPUWGP-UHFFFAOYSA-N 0 3 423.435 4.137 20 5 HIBDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427570257 856871566 /nfs/dbraw/zinc/87/15/66/856871566.db2.gz SOWMFNPBWRRXNO-LJQANCHMSA-N 0 3 411.477 4.137 20 5 HIBDHN CC[C@@]1(CO)CCCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428471723 857212257 /nfs/dbraw/zinc/21/22/57/857212257.db2.gz YQXUSDDREGTRGN-HSZRJFAPSA-N 0 3 414.502 4.167 20 5 HIBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000431000877 858400200 /nfs/dbraw/zinc/40/02/00/858400200.db2.gz SFYFDXAUVWOKCM-OAHLLOKOSA-N 0 3 401.488 4.031 20 5 HIBDHN CC[C@@H]1CN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCCO1 ZINC000467566466 881389861 /nfs/dbraw/zinc/38/98/61/881389861.db2.gz WZYADEDRTOPERE-HXUWFJFHSA-N 0 3 400.475 4.183 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899070 860544514 /nfs/dbraw/zinc/54/45/14/860544514.db2.gz ZEHMWBQEFHLNFO-UHFFFAOYSA-N 0 3 413.861 4.336 20 5 HIBDHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438821116 864314925 /nfs/dbraw/zinc/31/49/25/864314925.db2.gz RQUKHVCURCQILS-IBGZPJMESA-N 0 3 414.502 4.001 20 5 HIBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442805168 867681538 /nfs/dbraw/zinc/68/15/38/867681538.db2.gz ZCFXJTIIMVONMD-KRWDZBQOSA-N 0 3 411.527 4.493 20 5 HIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000443964796 868497643 /nfs/dbraw/zinc/49/76/43/868497643.db2.gz VBOHCMKNUQBAFO-UHFFFAOYSA-N 0 3 406.433 4.086 20 5 HIBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CC(c4cccc(Br)c4)C3)nc2c1 ZINC000446857044 870778766 /nfs/dbraw/zinc/77/87/66/870778766.db2.gz RSUWNMKAHQKELG-UHFFFAOYSA-N 0 3 401.264 4.269 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccnc2Oc2cccc(F)c2)n1 ZINC000447546568 871415506 /nfs/dbraw/zinc/41/55/06/871415506.db2.gz XBQGLFWVWUIMCO-OALUTQOASA-N 0 3 411.437 4.391 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)c2ccccn2)c1 ZINC000468621173 882740728 /nfs/dbraw/zinc/74/07/28/882740728.db2.gz MGSPRKCHJBUEGE-ATVHPVEESA-N 0 3 402.454 4.435 20 5 HIBDHN COc1ccc(-c2ccc(CNC[C@H](C)Oc3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000462751378 875818406 /nfs/dbraw/zinc/81/84/06/875818406.db2.gz WWCUHNRMTCPSME-HNNXBMFYSA-N 0 3 412.442 4.429 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732519 877969273 /nfs/dbraw/zinc/96/92/73/877969273.db2.gz HKSVKILURLTFTM-ZBFHGGJFSA-N 0 3 401.429 4.169 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000466361741 880120462 /nfs/dbraw/zinc/12/04/62/880120462.db2.gz DJUBGIOVPCDXKO-LFIBNONCSA-N 0 3 401.894 4.278 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](C)c2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000473989435 888851443 /nfs/dbraw/zinc/85/14/43/888851443.db2.gz AUFQCYFWWRQUFD-ZDUSSCGKSA-N 0 3 400.456 4.212 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474363764 889243076 /nfs/dbraw/zinc/24/30/76/889243076.db2.gz WZRWYEGBDBNKFX-JOCHJYFZSA-N 0 3 416.449 4.307 20 5 HIBDHN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475170951 890037989 /nfs/dbraw/zinc/03/79/89/890037989.db2.gz BLSQQRLFQXDVPJ-RXVVDRJESA-N 0 3 410.518 4.270 20 5 HIBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N1Cc2ccccc2C1 ZINC000475497022 890405756 /nfs/dbraw/zinc/40/57/56/890405756.db2.gz RGPJUUVTIPMUMN-OAHLLOKOSA-N 0 3 407.495 4.344 20 5 HIBDHN COc1ccc([C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N2CCCC2)cc1 ZINC000475547002 890472144 /nfs/dbraw/zinc/47/21/44/890472144.db2.gz MPIRSWRZGUNFNO-OAQYLSRUSA-N 0 3 412.490 4.179 20 5 HIBDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066018 891999340 /nfs/dbraw/zinc/99/93/40/891999340.db2.gz MTFDOEGCOZCPGW-PEGYKEAPSA-N 0 3 413.499 4.223 20 5 HIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)CC)s1 ZINC000479446745 894763128 /nfs/dbraw/zinc/76/31/28/894763128.db2.gz OIDYMKWLIIAMSV-ZDUSSCGKSA-N 0 3 414.574 4.110 20 5 HIBDHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000479629945 894896733 /nfs/dbraw/zinc/89/67/33/894896733.db2.gz VYOLIXHNJOCPAS-FXAWDEMLSA-N 0 3 411.502 4.209 20 5 HIBDHN Cc1c(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cccc1[N+](=O)[O-] ZINC000480456022 895842228 /nfs/dbraw/zinc/84/22/28/895842228.db2.gz XRQWIAQKOAHYCU-UHFFFAOYSA-N 0 3 413.481 4.500 20 5 HIBDHN COc1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000505496702 914181479 /nfs/dbraw/zinc/18/14/79/914181479.db2.gz ZHVIHEGGBDZVNM-UHFFFAOYSA-N 0 3 421.291 4.161 20 5 HIBDHN CC[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543297 898131339 /nfs/dbraw/zinc/13/13/39/898131339.db2.gz LKHTTYQRJJZKRO-KKSFZXQISA-N 0 3 400.498 4.288 20 5 HIBDHN CSc1cccc(N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C2CCN(C)CC2)c1 ZINC000484370400 899914452 /nfs/dbraw/zinc/91/44/52/899914452.db2.gz JOXWRUXFIGMZQV-UHFFFAOYSA-N 0 3 403.479 4.197 20 5 HIBDHN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1c1ccccc1F ZINC000489109366 903201677 /nfs/dbraw/zinc/20/16/77/903201677.db2.gz YKTXMQSNMWAVOM-GOSISDBHSA-N 0 3 411.458 4.358 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000489967472 903701631 /nfs/dbraw/zinc/70/16/31/903701631.db2.gz YPHJDADLJASHLM-LJQANCHMSA-N 0 3 419.909 4.377 20 5 HIBDHN O=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490123899 903780577 /nfs/dbraw/zinc/78/05/77/903780577.db2.gz GQKQHOSKFMMACQ-JOCHJYFZSA-N 0 3 405.454 4.172 20 5 HIBDHN Cc1ccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491016364 904370225 /nfs/dbraw/zinc/37/02/25/904370225.db2.gz CABBJRBBJVFWFV-HSZRJFAPSA-N 0 3 424.522 4.228 20 5 HIBDHN COc1ccc(-c2ccc(CNCCc3nnc(C(C)C)s3)o2)c([N+](=O)[O-])c1 ZINC000492333493 904835884 /nfs/dbraw/zinc/83/58/84/904835884.db2.gz LCVQDRCSKWXEBU-UHFFFAOYSA-N 0 3 402.476 4.171 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938069 904960044 /nfs/dbraw/zinc/96/00/44/904960044.db2.gz SSXOTELQVFNWLN-RXVVDRJESA-N 0 3 410.518 4.270 20 5 HIBDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601414 905169986 /nfs/dbraw/zinc/16/99/86/905169986.db2.gz HDMJQSKLANLACJ-QZTJIDSGSA-N 0 3 414.449 4.075 20 5 HIBDHN O=C1COc2ccccc2N1CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494005285 905345762 /nfs/dbraw/zinc/34/57/62/905345762.db2.gz XDQQMRUCXFFQFE-XMMPIXPASA-N 0 3 417.465 4.090 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844537 910118997 /nfs/dbraw/zinc/11/89/97/910118997.db2.gz SBCOHAUSMZAMCS-QAPCUYQASA-N 0 3 422.510 4.284 20 5 HIBDHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501960731 910947414 /nfs/dbraw/zinc/94/74/14/910947414.db2.gz YQCUTHLLVYVWBI-VQIMIIECSA-N 0 3 406.486 4.374 20 5 HIBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502970099 911952350 /nfs/dbraw/zinc/95/23/50/911952350.db2.gz HKHCCJVKYQZNAQ-MRXNPFEDSA-N 0 3 413.474 4.091 20 5 HIBDHN C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000509531593 918179800 /nfs/dbraw/zinc/17/98/00/918179800.db2.gz FGJODDROYIYEEN-KRWDZBQOSA-N 0 3 411.502 4.325 20 5 HIBDHN CC1CCN(C(=O)C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000510411995 918881840 /nfs/dbraw/zinc/88/18/40/918881840.db2.gz JGVGAGGQIKRADD-UHFFFAOYSA-N 0 3 411.502 4.325 20 5 HIBDHN C[C@H]1CN(C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551522 918997170 /nfs/dbraw/zinc/99/71/70/918997170.db2.gz JAPDMYAHFYPIRF-HNNXBMFYSA-N 0 3 419.909 4.193 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCN(c3nccs3)CC2)s1 ZINC000511747884 920426443 /nfs/dbraw/zinc/42/64/43/920426443.db2.gz CVHGULPUCHUKOP-UHFFFAOYSA-N 0 3 400.529 4.492 20 5 HIBDHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000511802087 920496312 /nfs/dbraw/zinc/49/63/12/920496312.db2.gz OPIXIPUPMBEEKN-FCHUYYIVSA-N 0 3 419.456 4.132 20 5 HIBDHN CC1CCN([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2cccs2)CC1 ZINC000512055876 920825316 /nfs/dbraw/zinc/82/53/16/920825316.db2.gz HIELXCZDIKAWOV-GOSISDBHSA-N 0 3 412.515 4.341 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000518887959 927598444 /nfs/dbraw/zinc/59/84/44/927598444.db2.gz XKMZPYCZPWHAPP-SFHVURJKSA-N 0 3 409.408 4.427 20 5 HIBDHN O=C(CN[C@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532701736 931594723 /nfs/dbraw/zinc/59/47/23/931594723.db2.gz RORBUCRJRGNGMG-LJQANCHMSA-N 0 3 418.291 4.427 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000538271558 938580375 /nfs/dbraw/zinc/58/03/75/938580375.db2.gz RIOGMERRHOXTNZ-FUHWJXTLSA-N 0 3 413.543 4.488 20 5 HIBDHN CCOc1ccc([C@H](C)Nc2ccc(CN3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000538534150 938643427 /nfs/dbraw/zinc/64/34/27/938643427.db2.gz BLTJNHYESNEHPH-SFHVURJKSA-N 0 3 412.534 4.304 20 5 HIBDHN C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539021315 938771567 /nfs/dbraw/zinc/77/15/67/938771567.db2.gz SICBFBUIRSOLKK-STQMWFEESA-N 0 3 406.280 4.425 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000539308643 938838364 /nfs/dbraw/zinc/83/83/64/938838364.db2.gz OCXLBYVPBFGVBG-FQEVSTJZSA-N 0 3 403.866 4.326 20 5 HIBDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818883 938942165 /nfs/dbraw/zinc/94/21/65/938942165.db2.gz FLBBLTLXURRTKY-VQTJNVASSA-N 0 3 420.893 4.260 20 5 HIBDHN C[C@H](NC[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377742 939218324 /nfs/dbraw/zinc/21/83/24/939218324.db2.gz UMTNUXGQGIWPIG-FDDCHVKYSA-N 0 3 406.482 4.413 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(c1ccccc1)c1ccccc1 ZINC000540403951 939236053 /nfs/dbraw/zinc/23/60/53/939236053.db2.gz LXWIRGUCGLFPGA-UHFFFAOYSA-N 0 3 419.481 4.485 20 5 HIBDHN O=C(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Nc1ccccn1 ZINC000540807968 939379184 /nfs/dbraw/zinc/37/91/84/939379184.db2.gz LRYZTHWBYCGYHM-UHFFFAOYSA-N 0 3 400.822 4.022 20 5 HIBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000541056289 939444563 /nfs/dbraw/zinc/44/45/63/939444563.db2.gz HMMITGYICDSYBO-BZSNNMDCSA-N 0 3 406.523 4.277 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000542212910 939759059 /nfs/dbraw/zinc/75/90/59/939759059.db2.gz WEHKEQCTACSTPH-MRXNPFEDSA-N 0 3 422.934 4.245 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000542483757 939831324 /nfs/dbraw/zinc/83/13/24/939831324.db2.gz GKZJSXZZPWFGHM-LBPRGKRZSA-N 0 3 402.800 4.208 20 5 HIBDHN CC(C)([C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC000544355256 940398807 /nfs/dbraw/zinc/39/88/07/940398807.db2.gz BOMRXQDCBHBQND-NRFANRHFSA-N 0 3 417.456 4.147 20 5 HIBDHN O=[N+]([O-])c1ccc(OCCNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000547968572 941081154 /nfs/dbraw/zinc/08/11/54/941081154.db2.gz KGZLWOIUCYOPBU-UHFFFAOYSA-N 0 3 420.391 4.027 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000551822266 941553614 /nfs/dbraw/zinc/55/36/14/941553614.db2.gz BBJPDPCRBWKZJM-OTRAAIJSSA-N 0 3 422.529 4.276 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000554374635 942117798 /nfs/dbraw/zinc/11/77/98/942117798.db2.gz VPTSQTIGGZEKIG-LSDHHAIUSA-N 0 3 404.339 4.362 20 5 HIBDHN CCN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555125418 942392563 /nfs/dbraw/zinc/39/25/63/942392563.db2.gz LFISONSEABYXOJ-XLIONFOSSA-N 0 3 417.872 4.189 20 5 HIBDHN Cc1ccc([C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000556868846 942944487 /nfs/dbraw/zinc/94/44/87/942944487.db2.gz XAVYAVUIIRLIER-DHIUTWEWSA-N 0 3 419.529 4.153 20 5 HIBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1Cc1ccccc1 ZINC000557039057 943001619 /nfs/dbraw/zinc/00/16/19/943001619.db2.gz UQASVWHTPXQKGL-SCLBCKFNSA-N 0 3 407.392 4.006 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000561396531 944578333 /nfs/dbraw/zinc/57/83/33/944578333.db2.gz OKCLMDOSNZUAQJ-QHCPKHFHSA-N 0 3 410.445 4.421 20 5 HIBDHN COc1ccc([C@H](Cc2ccccc2)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564760157 945752450 /nfs/dbraw/zinc/75/24/50/945752450.db2.gz MBUBSVUHIGPPNU-QHCPKHFHSA-N 0 3 419.481 4.140 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)s2)cc1 ZINC000570485284 947264932 /nfs/dbraw/zinc/26/49/32/947264932.db2.gz VIUQLGRYYGVEAA-XJKSGUPXSA-N 0 3 400.422 4.316 20 5 HIBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)ccc21 ZINC001164722523 720399036 /nfs/dbraw/zinc/39/90/36/720399036.db2.gz DDIFCVWQTLNANX-RBUKOAKNSA-N 0 3 409.877 4.045 20 5 HIBDHN Cc1c(NC(=O)CCN(C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847956 849633368 /nfs/dbraw/zinc/63/33/68/849633368.db2.gz VEGAFAXDXBVPQD-UHFFFAOYSA-N 0 3 412.309 4.188 20 5 HIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019756 849656232 /nfs/dbraw/zinc/65/62/32/849656232.db2.gz AGMLDAVQPVSDRA-CYBMUJFWSA-N 0 3 403.866 4.366 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccccc1Cl ZINC000053278768 849689157 /nfs/dbraw/zinc/68/91/57/849689157.db2.gz JOYFLELPYLYIAZ-SFHVURJKSA-N 0 3 403.866 4.423 20 5 HIBDHN C[C@@H](Nc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053477311 849718312 /nfs/dbraw/zinc/71/83/12/849718312.db2.gz VDIMLIQIEDLBHN-MRXNPFEDSA-N 0 3 419.485 4.477 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060269515 851056702 /nfs/dbraw/zinc/05/67/02/851056702.db2.gz YTIIMWJMOOOBEK-HXUWFJFHSA-N 0 3 415.465 4.052 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000060371676 851080883 /nfs/dbraw/zinc/08/08/83/851080883.db2.gz FQIGIQCSGGOAKX-SFHVURJKSA-N 0 3 411.355 4.127 20 5 HIBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000064918964 852021659 /nfs/dbraw/zinc/02/16/59/852021659.db2.gz JQSMFIKDGVAOBQ-GOSISDBHSA-N 0 3 420.494 4.343 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000064934743 852025259 /nfs/dbraw/zinc/02/52/59/852025259.db2.gz SBCOHAUSMZAMCS-YJBOKZPZSA-N 0 3 422.510 4.284 20 5 HIBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437147984 862339646 /nfs/dbraw/zinc/33/96/46/862339646.db2.gz GPBQKKPBFVJCSK-UHFFFAOYSA-N 0 3 407.392 4.008 20 5 HIBDHN COc1ccc(OC)c([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000150214146 853640827 /nfs/dbraw/zinc/64/08/27/853640827.db2.gz DBSJJZGHAPAKNH-FQEVSTJZSA-N 0 3 413.474 4.086 20 5 HIBDHN CCc1noc(-c2ccc(CCNCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 ZINC000237077310 853960873 /nfs/dbraw/zinc/96/08/73/853960873.db2.gz KGTVWYSFSMQGBM-UHFFFAOYSA-N 0 3 418.400 4.141 20 5 HIBDHN COC(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000237193939 853979576 /nfs/dbraw/zinc/97/95/76/853979576.db2.gz QACZMCNWFLCTFI-UHFFFAOYSA-N 0 3 412.467 4.165 20 5 HIBDHN CS(=O)(=O)Cc1ccccc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237346146 854010895 /nfs/dbraw/zinc/01/08/95/854010895.db2.gz DSXGOQMKOIAZCI-UHFFFAOYSA-N 0 3 416.524 4.158 20 5 HIBDHN COc1ccc2cc(CNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000237468811 854039294 /nfs/dbraw/zinc/03/92/94/854039294.db2.gz CGBURCGBCFYYET-UHFFFAOYSA-N 0 3 402.454 4.447 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCCN3Cc3ccccc3)cs2)c1 ZINC000238007290 854132603 /nfs/dbraw/zinc/13/26/03/854132603.db2.gz LBVDHDRGRXDEOA-NRFANRHFSA-N 0 3 408.527 4.473 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000248180574 854183492 /nfs/dbraw/zinc/18/34/92/854183492.db2.gz DHJAJRHFFQNEII-IBGZPJMESA-N 0 3 405.882 4.070 20 5 HIBDHN O=C(c1ccccc1)c1ccc(NCC2(N3CCCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000301321807 854358108 /nfs/dbraw/zinc/35/81/08/854358108.db2.gz HJCASYICRSOGOD-UHFFFAOYSA-N 0 3 423.513 4.273 20 5 HIBDHN CN1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301692938 854446109 /nfs/dbraw/zinc/44/61/09/854446109.db2.gz ONGCPZCMBLWIRG-IAQYHMDHSA-N 0 3 411.325 4.309 20 5 HIBDHN O=C(CCN1CCC(Oc2ccccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410028126 855786274 /nfs/dbraw/zinc/78/62/74/855786274.db2.gz IZYFKHVLNUXGQO-UHFFFAOYSA-N 0 3 403.866 4.120 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995117 856036776 /nfs/dbraw/zinc/03/67/76/856036776.db2.gz KBBXCZJZUWUIGF-YLJYHZDGSA-N 0 3 408.502 4.104 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000425995115 856036834 /nfs/dbraw/zinc/03/68/34/856036834.db2.gz KBBXCZJZUWUIGF-PXNSSMCTSA-N 0 3 408.502 4.104 20 5 HIBDHN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C)c1OCc1ccccn1 ZINC000426005842 856042701 /nfs/dbraw/zinc/04/27/01/856042701.db2.gz ZDCMEBAXHYUFKK-UHFFFAOYSA-N 0 3 421.501 4.219 20 5 HIBDHN C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000426133121 856128317 /nfs/dbraw/zinc/12/83/17/856128317.db2.gz GWFKIZHWFOQULF-GOSISDBHSA-N 0 3 411.502 4.024 20 5 HIBDHN Cc1c(NC(=O)CCN2CCC(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000429216415 857558834 /nfs/dbraw/zinc/55/88/34/857558834.db2.gz PDMVQHKSTXYASJ-UHFFFAOYSA-N 0 3 402.882 4.160 20 5 HIBDHN Cc1c(Br)c(Nc2cccc3c2OCC[C@H]3N(C)C)ncc1[N+](=O)[O-] ZINC000432943422 859440185 /nfs/dbraw/zinc/44/01/85/859440185.db2.gz HQAWUYMEVOHMEG-CYBMUJFWSA-N 0 3 407.268 4.190 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998590 863360725 /nfs/dbraw/zinc/36/07/25/863360725.db2.gz JBSKRVGPGWMUQX-PXNSSMCTSA-N 0 3 408.502 4.104 20 5 HIBDHN C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467860482 881712223 /nfs/dbraw/zinc/71/22/23/881712223.db2.gz ANQGRTOTHOUIIV-OAHLLOKOSA-N 0 3 422.451 4.216 20 5 HIBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(C3CCC(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000438554621 863986604 /nfs/dbraw/zinc/98/66/04/863986604.db2.gz AZYSLVDHZURNHL-XEVCZEQESA-N 0 3 416.566 4.063 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000439169054 864598004 /nfs/dbraw/zinc/59/80/04/864598004.db2.gz MCSHDYJIQWIPRS-FZKQIMNGSA-N 0 3 407.923 4.431 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000439169055 864598545 /nfs/dbraw/zinc/59/85/45/864598545.db2.gz MCSHDYJIQWIPRS-SCLBCKFNSA-N 0 3 407.923 4.431 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000439869681 865177476 /nfs/dbraw/zinc/17/74/76/865177476.db2.gz JYAWNBHOTLZTMO-KRWDZBQOSA-N 0 3 412.490 4.122 20 5 HIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000443968393 868499137 /nfs/dbraw/zinc/49/91/37/868499137.db2.gz DQXSBVVGMOAXSN-UHFFFAOYSA-N 0 3 406.433 4.086 20 5 HIBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445181153 869264108 /nfs/dbraw/zinc/26/41/08/869264108.db2.gz HAZXBIKGIJTHIK-QGZVFWFLSA-N 0 3 405.542 4.312 20 5 HIBDHN O=C(Nc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1ccncc1 ZINC000447539419 871403559 /nfs/dbraw/zinc/40/35/59/871403559.db2.gz GLVXMCSTMPFLTL-JOCHJYFZSA-N 0 3 402.454 4.409 20 5 HIBDHN C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 ZINC000447540087 871408085 /nfs/dbraw/zinc/40/80/85/871408085.db2.gz ISFXFSWRICEBKC-QZTZHPFYSA-N 0 3 409.530 4.371 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H](n3cccn3)C2)cc1 ZINC000463010903 876026839 /nfs/dbraw/zinc/02/68/39/876026839.db2.gz NHEQFLVDPGVSMQ-QFIPXVFZSA-N 0 3 414.469 4.091 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](n4cccn4)C3)o2)c(Br)c1 ZINC000463032276 876053159 /nfs/dbraw/zinc/05/31/59/876053159.db2.gz HRTZXCLTZVDZEY-AWEZNQCLSA-N 0 3 417.263 4.261 20 5 HIBDHN CCCN1CCN(c2ccccc2CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466472781 880255339 /nfs/dbraw/zinc/25/53/39/880255339.db2.gz IDMUYWDUHKWLKI-UHFFFAOYSA-N 0 3 402.926 4.070 20 5 HIBDHN Cc1cc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000470863766 885354146 /nfs/dbraw/zinc/35/41/46/885354146.db2.gz WUQPGPVQHDLGNJ-UHFFFAOYSA-N 0 3 417.513 4.233 20 5 HIBDHN CCN1CCN(c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)CC1 ZINC000471653623 886369420 /nfs/dbraw/zinc/36/94/20/886369420.db2.gz OXSBBMHRMRWTPB-UHFFFAOYSA-N 0 3 410.499 4.204 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](C)c2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000473989434 888851733 /nfs/dbraw/zinc/85/17/33/888851733.db2.gz AUFQCYFWWRQUFD-CYBMUJFWSA-N 0 3 400.456 4.212 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC(F)(F)F)o2)c(Br)c1 ZINC000474022470 888873615 /nfs/dbraw/zinc/87/36/15/888873615.db2.gz WLILWAMAZYTXSW-UHFFFAOYSA-N 0 3 409.158 4.243 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)cc1[N+](=O)[O-] ZINC000474379422 889253785 /nfs/dbraw/zinc/25/37/85/889253785.db2.gz QSHPLXQGMOCEKZ-QFIPXVFZSA-N 0 3 416.449 4.307 20 5 HIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000475572625 890503181 /nfs/dbraw/zinc/50/31/81/890503181.db2.gz PVCSLHQNHPTSIG-UHFFFAOYSA-N 0 3 406.433 4.086 20 5 HIBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475715495 890653552 /nfs/dbraw/zinc/65/35/52/890653552.db2.gz QCTQPSWVUYLLKI-GFCCVEGCSA-N 0 3 401.394 4.168 20 5 HIBDHN COc1ccccc1C[C@H]1CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000476268291 891188815 /nfs/dbraw/zinc/18/88/15/891188815.db2.gz GTUGLSLBWPKTJR-MRXNPFEDSA-N 0 3 422.428 4.421 20 5 HIBDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232376 892172808 /nfs/dbraw/zinc/17/28/08/892172808.db2.gz JFFZUPUAGLRJRD-BLVKFPJESA-N 0 3 403.866 4.325 20 5 HIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000504919984 913656613 /nfs/dbraw/zinc/65/66/13/913656613.db2.gz MFVRYGFZRLMZDJ-RBUKOAKNSA-N 0 3 413.543 4.419 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000477623437 892734014 /nfs/dbraw/zinc/73/40/14/892734014.db2.gz WPEAKQKPXASNLE-CQSZACIVSA-N 0 3 407.923 4.260 20 5 HIBDHN COc1cc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125154 895500924 /nfs/dbraw/zinc/50/09/24/895500924.db2.gz NNOSAXJXHWYUFH-DYVFJYSZSA-N 0 3 420.428 4.228 20 5 HIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000482620537 898223454 /nfs/dbraw/zinc/22/34/54/898223454.db2.gz CUBGAEIMUSHWJE-INIZCTEOSA-N 0 3 410.518 4.453 20 5 HIBDHN Cc1ccc(CN(C)C)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000482636415 898241033 /nfs/dbraw/zinc/24/10/33/898241033.db2.gz WGGPIQAQNIVDPJ-UHFFFAOYSA-N 0 3 424.423 4.424 20 5 HIBDHN C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000482883922 898497416 /nfs/dbraw/zinc/49/74/16/898497416.db2.gz BJHCTUSRRZECSM-AWEZNQCLSA-N 0 3 420.307 4.057 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000489600617 903490185 /nfs/dbraw/zinc/49/01/85/903490185.db2.gz VFZUDDQGCVAUKY-DYESRHJHSA-N 0 3 413.543 4.337 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489868842 903640415 /nfs/dbraw/zinc/64/04/15/903640415.db2.gz FVYSPSAHDYQVKX-JOCHJYFZSA-N 0 3 408.502 4.106 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000493257042 905071115 /nfs/dbraw/zinc/07/11/15/905071115.db2.gz NZAQHEYQBABNGO-GOSISDBHSA-N 0 3 410.518 4.270 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493307836 905082527 /nfs/dbraw/zinc/08/25/27/905082527.db2.gz BESBVFSBQVSTKU-RBUKOAKNSA-N 0 3 410.518 4.270 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846295 910120535 /nfs/dbraw/zinc/12/05/35/910120535.db2.gz YZDSQJYFKDOWFC-QAPCUYQASA-N 0 3 422.510 4.284 20 5 HIBDHN C[S@](=O)Cc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000513101940 921550112 /nfs/dbraw/zinc/55/01/12/921550112.db2.gz VIRPKSUGDRRJID-MHZLTWQESA-N 0 3 400.525 4.492 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513213348 921628122 /nfs/dbraw/zinc/62/81/22/921628122.db2.gz CNLIXRBOTAUPMT-LJQANCHMSA-N 0 3 410.392 4.114 20 5 HIBDHN C[C@@H]1COCC[C@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266690 916029574 /nfs/dbraw/zinc/02/95/74/916029574.db2.gz KDQQTNOLQJYBFM-IIMJZQEZSA-N 0 3 417.893 4.190 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2noc([C@@H]3CN(Cc4ccccc4)CCC3(F)F)n2)c1 ZINC000508042986 916870823 /nfs/dbraw/zinc/87/08/23/916870823.db2.gz SDMPOTINOOPNCX-KRWDZBQOSA-N 0 3 400.385 4.270 20 5 HIBDHN C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)C1 ZINC000509521191 918170538 /nfs/dbraw/zinc/17/05/38/918170538.db2.gz QZTPQYPDZSSSCC-KRWDZBQOSA-N 0 3 411.502 4.325 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(CCCc2ccccc2)CC1 ZINC000510025611 918601955 /nfs/dbraw/zinc/60/19/55/918601955.db2.gz HPUVVBOGBPGUMW-UHFFFAOYSA-N 0 3 416.909 4.421 20 5 HIBDHN COc1cc(CN(C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000511648260 920314270 /nfs/dbraw/zinc/31/42/70/920314270.db2.gz OQYFMIBUFADORE-UHFFFAOYSA-N 0 3 410.392 4.144 20 5 HIBDHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000511802577 920498056 /nfs/dbraw/zinc/49/80/56/920498056.db2.gz QDOHNODQPRHQAR-VQTJNVASSA-N 0 3 407.495 4.054 20 5 HIBDHN CCN(CC)[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761809 922079464 /nfs/dbraw/zinc/07/94/64/922079464.db2.gz OWQDNOGLPHIVJW-YADHBBJMSA-N 0 3 407.518 4.090 20 5 HIBDHN O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)c(-c2cccs2)c1 ZINC000516320654 923662193 /nfs/dbraw/zinc/66/21/93/923662193.db2.gz WKHAGRWIVDKQCR-IBGZPJMESA-N 0 3 410.495 4.121 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000516551661 923791402 /nfs/dbraw/zinc/79/14/02/923791402.db2.gz JITKABSPPHGKEQ-QFIPXVFZSA-N 0 3 410.518 4.209 20 5 HIBDHN CN(c1ccccc1)c1ccc(CNCc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000517545424 924257035 /nfs/dbraw/zinc/25/70/35/924257035.db2.gz PGVLBHPNPQGDFX-UHFFFAOYSA-N 0 3 407.470 4.024 20 5 HIBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000525292827 930135869 /nfs/dbraw/zinc/13/58/69/930135869.db2.gz IGIJBQIAWHQUHP-CQSZACIVSA-N 0 3 419.934 4.471 20 5 HIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000530857037 930841382 /nfs/dbraw/zinc/84/13/82/930841382.db2.gz JHQIECCGGSITNU-FQEVSTJZSA-N 0 3 416.909 4.199 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532215442 931357214 /nfs/dbraw/zinc/35/72/14/931357214.db2.gz OQWCDBPGUOJQHN-IRXDYDNUSA-N 0 3 400.498 4.288 20 5 HIBDHN COc1ccc(CN[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532615618 931555140 /nfs/dbraw/zinc/55/51/40/931555140.db2.gz FSLYURFLUGDKDL-AOMKIAJQSA-N 0 3 400.475 4.018 20 5 HIBDHN COc1cc(CNC[C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533562973 931901284 /nfs/dbraw/zinc/90/12/84/931901284.db2.gz NWNMUWWOPNGTKP-SNVBAGLBSA-N 0 3 417.384 4.043 20 5 HIBDHN C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562925876 945153989 /nfs/dbraw/zinc/15/39/89/945153989.db2.gz GMUKNOOSCLWBLU-APWZRJJASA-N 0 3 401.532 4.349 20 5 HIBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C)cc1 ZINC000538156122 938526942 /nfs/dbraw/zinc/52/69/42/938526942.db2.gz UKNJGKMTIFHJLS-MRXNPFEDSA-N 0 3 406.280 4.345 20 5 HIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000539120439 938805697 /nfs/dbraw/zinc/80/56/97/938805697.db2.gz MQCRPFQTGPPYGK-OAHLLOKOSA-N 0 3 401.467 4.180 20 5 HIBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000539410550 938856719 /nfs/dbraw/zinc/85/67/19/938856719.db2.gz MPVLYANGVNMQNV-FQEVSTJZSA-N 0 3 411.502 4.197 20 5 HIBDHN COc1cc(CN[C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539635535 938891489 /nfs/dbraw/zinc/89/14/89/938891489.db2.gz SYYPPJVRDQZAIK-HUUCEWRRSA-N 0 3 420.428 4.228 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000540376696 939217054 /nfs/dbraw/zinc/21/70/54/939217054.db2.gz RILOJZBTPRFEOS-OAHLLOKOSA-N 0 3 409.364 4.176 20 5 HIBDHN O=C(CN[C@@H](c1ccc(Br)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000540377882 939218342 /nfs/dbraw/zinc/21/83/42/939218342.db2.gz ZRNOCTMJNMKNAO-LJQANCHMSA-N 0 3 418.291 4.427 20 5 HIBDHN C[C@@H](NC[C@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377743 939218620 /nfs/dbraw/zinc/21/86/20/939218620.db2.gz UMTNUXGQGIWPIG-JPYJTQIMSA-N 0 3 406.482 4.413 20 5 HIBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541056291 939444251 /nfs/dbraw/zinc/44/42/51/939444251.db2.gz HMMITGYICDSYBO-OKZBNKHCSA-N 0 3 406.523 4.277 20 5 HIBDHN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545518741 940572837 /nfs/dbraw/zinc/57/28/37/940572837.db2.gz UUHIYDUJGZWHGQ-QFIPXVFZSA-N 0 3 406.486 4.346 20 5 HIBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546887643 940901330 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OPVPWGPQOVFWAY-QGZVFWFLSA-N 0 3 405.882 4.070 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000554015892 942019944 /nfs/dbraw/zinc/01/99/44/942019944.db2.gz KMHGBZYWOWHDTM-YCRPNKLZSA-N 0 3 417.481 4.044 20 5 HIBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558027438 943360887 /nfs/dbraw/zinc/36/08/87/943360887.db2.gz XRKALXYKMQLZAI-SPEDKVCISA-N 0 3 422.529 4.009 20 5 HIBDHN COc1ccccc1O[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000564311441 945511801 /nfs/dbraw/zinc/51/18/01/945511801.db2.gz XIBSKNWSZSBSGT-HXUWFJFHSA-N 0 3 422.485 4.047 20 5 HIBDHN Nc1nccc([C@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000565331207 945812636 /nfs/dbraw/zinc/81/26/36/945812636.db2.gz GPNAWSHAMQBXPE-ZDUSSCGKSA-N 0 3 413.865 4.260 20 5 HIBDHN CCOC(=O)c1ccn(-c2cccc(CNCc3ccc(C(C)C)c([N+](=O)[O-])c3)c2)n1 ZINC000574082853 948361218 /nfs/dbraw/zinc/36/12/18/948361218.db2.gz ZMNXZLSWDRESHF-UHFFFAOYSA-N 0 3 422.485 4.370 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(Br)cc1F ZINC000575220643 948635500 /nfs/dbraw/zinc/63/55/00/948635500.db2.gz QFJBENFCKRGIPC-LBPRGKRZSA-N 0 3 424.270 4.484 20 5 HIBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000031232815 847848004 /nfs/dbraw/zinc/84/80/04/847848004.db2.gz HZZJRXLTTYQKJX-IAGOWNOFSA-N 0 3 410.518 4.391 20 5 HIBDHN Cc1c(CNC2(c3ccc(Br)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000052833948 849633146 /nfs/dbraw/zinc/63/31/46/849633146.db2.gz UWADVBYGYNWPJO-UHFFFAOYSA-N 0 3 405.292 4.461 20 5 HIBDHN COc1ccc(OC)c([C@@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000063483082 851700981 /nfs/dbraw/zinc/70/09/81/851700981.db2.gz QBZMWKYCFJFMRL-FQEVSTJZSA-N 0 3 413.474 4.086 20 5 HIBDHN COC(=O)/C=C/c1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000071844762 852416846 /nfs/dbraw/zinc/41/68/46/852416846.db2.gz VRARZKKYIALEPW-KOEDOTQGSA-N 0 3 401.488 4.092 20 5 HIBDHN CC1CCN([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccs2)CC1 ZINC000109870954 853026181 /nfs/dbraw/zinc/02/61/81/853026181.db2.gz DSGAQXBWGTYIBO-LJQANCHMSA-N 0 3 412.515 4.341 20 5 HIBDHN COc1ccc(OC)c([C@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000150214626 853640250 /nfs/dbraw/zinc/64/02/50/853640250.db2.gz XSIZMDVRRACRJE-HXUWFJFHSA-N 0 3 413.474 4.086 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3cscn3)o2)c(Br)c1 ZINC000236568631 853899577 /nfs/dbraw/zinc/89/95/77/853899577.db2.gz GPSJTLKULWIEHA-UHFFFAOYSA-N 0 3 408.277 4.406 20 5 HIBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236873131 853931289 /nfs/dbraw/zinc/93/12/89/853931289.db2.gz AHSQQYVVEHGZBR-CQSZACIVSA-N 0 3 405.882 4.435 20 5 HIBDHN COc1ccc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000237247062 853989505 /nfs/dbraw/zinc/98/95/05/853989505.db2.gz HOFVLARWUNOEQB-UHFFFAOYSA-N 0 3 413.499 4.458 20 5 HIBDHN C[C@@H]1CN(c2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cn2)CCO1 ZINC000237596562 854059720 /nfs/dbraw/zinc/05/97/20/854059720.db2.gz LGXPAEHHURATIN-MRXNPFEDSA-N 0 3 424.526 4.233 20 5 HIBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000237708263 854079988 /nfs/dbraw/zinc/07/99/88/854079988.db2.gz CCMNNVWKSZIEGK-ZDUSSCGKSA-N 0 3 400.788 4.031 20 5 HIBDHN Cn1cc(CNCc2ccc(N3CCCCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237775844 854094594 /nfs/dbraw/zinc/09/45/94/854094594.db2.gz UHHHPLFABPKFPN-UHFFFAOYSA-N 0 3 420.517 4.061 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000237821286 854103043 /nfs/dbraw/zinc/10/30/43/854103043.db2.gz UZNMMVYADQCXKY-UHFFFAOYSA-N 0 3 407.348 4.323 20 5 HIBDHN Cc1ccc(Sc2ccc(CNCCNC(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000237872340 854111598 /nfs/dbraw/zinc/11/15/98/854111598.db2.gz KUQPMVYUFVSNKY-UHFFFAOYSA-N 0 3 411.483 4.167 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CN3CCOCC3)c3ccccc3)s2)cc1 ZINC000238003581 854131657 /nfs/dbraw/zinc/13/16/57/854131657.db2.gz QYFFQPUCRDMUGA-JOCHJYFZSA-N 0 3 423.538 4.486 20 5 HIBDHN CC[C@@]1(CO)CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428471686 857212472 /nfs/dbraw/zinc/21/24/72/857212472.db2.gz BZRJCOJUHOXQPP-XMMPIXPASA-N 0 3 420.513 4.432 20 5 HIBDHN CCCN(C(=O)c1cccs1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431150300 858472175 /nfs/dbraw/zinc/47/21/75/858472175.db2.gz NJSSYGZEZGEZOA-UHFFFAOYSA-N 0 3 401.532 4.216 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000431870099 858848131 /nfs/dbraw/zinc/84/81/31/858848131.db2.gz MAEORZOBNKUZMX-GOSISDBHSA-N 0 3 404.536 4.274 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302342 859625861 /nfs/dbraw/zinc/62/58/61/859625861.db2.gz IUJDXMCFJLXNNO-HNNXBMFYSA-N 0 3 403.866 4.075 20 5 HIBDHN COC(=O)COc1ccc(CN(C)[C@@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000435298850 860725958 /nfs/dbraw/zinc/72/59/58/860725958.db2.gz OOKZPAXRJGUASN-OAQYLSRUSA-N 0 3 404.438 4.115 20 5 HIBDHN C[S@@](=O)C1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000435750029 861030990 /nfs/dbraw/zinc/03/09/90/861030990.db2.gz WHEGNXPFJVWFDI-HHHXNRCGSA-N 0 3 408.907 4.431 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998592 863361385 /nfs/dbraw/zinc/36/13/85/863361385.db2.gz JBSKRVGPGWMUQX-YLJYHZDGSA-N 0 3 408.502 4.104 20 5 HIBDHN Cc1ccc(Sc2ccc(CN(CCO)C3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000438344481 863814734 /nfs/dbraw/zinc/81/47/34/863814734.db2.gz YHPVGKROYYSPSF-UHFFFAOYSA-N 0 3 402.516 4.028 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000439645116 864970909 /nfs/dbraw/zinc/97/09/09/864970909.db2.gz UJJDEWBVWJINTO-LBPRGKRZSA-N 0 3 423.872 4.290 20 5 HIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@]3(CCO)CCOC3)cc2[N+](=O)[O-])c1 ZINC000447071145 870950242 /nfs/dbraw/zinc/95/02/42/870950242.db2.gz ZUJODOZSVCUMPP-QHCPKHFHSA-N 0 3 414.502 4.450 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)c2ccccn2)c1 ZINC000468621176 882741014 /nfs/dbraw/zinc/74/10/14/882741014.db2.gz MGSPRKCHJBUEGE-SFQUDFHCSA-N 0 3 402.454 4.435 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCCCCF)c1ccccc1 ZINC000461095219 874011373 /nfs/dbraw/zinc/01/13/73/874011373.db2.gz CEMXOHBDUSHVOC-QGZVFWFLSA-N 0 3 424.270 4.376 20 5 HIBDHN COc1ccc(-c2ccc(CNC[C@@H](C)Oc3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000462751379 875818197 /nfs/dbraw/zinc/81/81/97/875818197.db2.gz WWCUHNRMTCPSME-OAHLLOKOSA-N 0 3 412.442 4.429 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463281623 876338269 /nfs/dbraw/zinc/33/82/69/876338269.db2.gz VWTBFIOKUQATMD-GCJKJVERSA-N 0 3 410.518 4.035 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000464778132 878021456 /nfs/dbraw/zinc/02/14/56/878021456.db2.gz QWOVITXZECBPDF-FQEVSTJZSA-N 0 3 422.481 4.031 20 5 HIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464845242 878118398 /nfs/dbraw/zinc/11/83/98/878118398.db2.gz LWNHUXKSEGFCSK-MSOLQXFVSA-N 0 3 421.501 4.302 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471129248 885667049 /nfs/dbraw/zinc/66/70/49/885667049.db2.gz MUVYUDXDPQJHDK-UHFFFAOYSA-N 0 3 420.819 4.175 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000474373465 889251501 /nfs/dbraw/zinc/25/15/01/889251501.db2.gz QLLFUEYNGCPZGH-HXUWFJFHSA-N 0 3 406.866 4.287 20 5 HIBDHN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1Cc2ccccc2C1 ZINC000475505249 890419205 /nfs/dbraw/zinc/41/92/05/890419205.db2.gz AQPUEEFVXVUDHX-HNNXBMFYSA-N 0 3 407.495 4.344 20 5 HIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000477035131 891959778 /nfs/dbraw/zinc/95/97/78/891959778.db2.gz RTNJYXSYMVRUTM-FQEVSTJZSA-N 0 3 414.506 4.423 20 5 HIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000504900064 913632578 /nfs/dbraw/zinc/63/25/78/913632578.db2.gz QMSMDSDKWQKIEA-NSHDSACASA-N 0 3 413.421 4.111 20 5 HIBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000478006083 893111254 /nfs/dbraw/zinc/11/12/54/893111254.db2.gz XYUTXZIEPYBHAK-AWEZNQCLSA-N 0 3 411.325 4.113 20 5 HIBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000487586710 902247887 /nfs/dbraw/zinc/24/78/87/902247887.db2.gz FWYJWVLDUAZHSQ-UHFFFAOYSA-N 0 3 424.526 4.231 20 5 HIBDHN Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489275783 903301734 /nfs/dbraw/zinc/30/17/34/903301734.db2.gz HPYBJQNXIZDZFP-LJQANCHMSA-N 0 3 407.474 4.014 20 5 HIBDHN CSCC[C@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000489884984 903651242 /nfs/dbraw/zinc/65/12/42/903651242.db2.gz OKAVSVCQFNJHDT-ZFWWWQNUSA-N 0 3 407.561 4.184 20 5 HIBDHN COc1cc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491132533 904446193 /nfs/dbraw/zinc/44/61/93/904446193.db2.gz IURQEIIMCHAVOX-ZDUSSCGKSA-N 0 3 410.417 4.016 20 5 HIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356257 904553605 /nfs/dbraw/zinc/55/36/05/904553605.db2.gz LEMWFWXVLJTVIM-DQEYMECFSA-N 0 3 417.509 4.347 20 5 HIBDHN O=C(Nc1ccccc1O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506152437 914826133 /nfs/dbraw/zinc/82/61/33/914826133.db2.gz XORKXVJFWXLMGI-UHFFFAOYSA-N 0 3 421.453 4.411 20 5 HIBDHN CC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOCC1 ZINC000500858848 910132060 /nfs/dbraw/zinc/13/20/60/910132060.db2.gz MYJYTUZJFJGFMJ-LJQANCHMSA-N 0 3 417.893 4.334 20 5 HIBDHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)C1 ZINC000509562395 918212831 /nfs/dbraw/zinc/21/28/31/918212831.db2.gz VXOYJAPZXNKYGZ-QGZVFWFLSA-N 0 3 411.502 4.325 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000509763165 918376599 /nfs/dbraw/zinc/37/65/99/918376599.db2.gz QISNAHJCHUEFRH-NQIIRXRSSA-N 0 3 410.518 4.350 20 5 HIBDHN O=C(Nc1ccccc1)N1CC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509949145 918544564 /nfs/dbraw/zinc/54/45/64/918544564.db2.gz OVKLOVWLMHBYBX-SFHVURJKSA-N 0 3 406.442 4.251 20 5 HIBDHN CC(C)CN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000511050268 919641695 /nfs/dbraw/zinc/64/16/95/919641695.db2.gz WIWSOSQMHDSIHX-GOSISDBHSA-N 0 3 416.566 4.024 20 5 HIBDHN Cc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000511752135 920430665 /nfs/dbraw/zinc/43/06/65/920430665.db2.gz IVZAIASLJOUHPE-XZOQPEGZSA-N 0 3 415.493 4.301 20 5 HIBDHN COC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000513498885 921848497 /nfs/dbraw/zinc/84/84/97/921848497.db2.gz CJZXXWPDAUCISX-UHFFFAOYSA-N 0 3 412.467 4.408 20 5 HIBDHN CC(C)c1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] ZINC000517187656 924044042 /nfs/dbraw/zinc/04/40/42/924044042.db2.gz SUPAWLFVGUVYTH-OAQYLSRUSA-N 0 3 424.545 4.497 20 5 HIBDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933786 930862071 /nfs/dbraw/zinc/86/20/71/930862071.db2.gz RCWNHWFEXDUDSS-ITEABVRESA-N 0 3 406.504 4.033 20 5 HIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000530972879 930872427 /nfs/dbraw/zinc/87/24/27/930872427.db2.gz CAQGDQGESSDSEA-HLHCEBLESA-N 0 3 403.866 4.118 20 5 HIBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533369211 931850882 /nfs/dbraw/zinc/85/08/82/931850882.db2.gz BUDGLRLDAUUQTF-INIZCTEOSA-N 0 3 412.421 4.042 20 5 HIBDHN O=C(CCN1CCC(Oc2ccccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533607319 931921929 /nfs/dbraw/zinc/92/19/29/931921929.db2.gz VPXYWHGBQZTKJW-UHFFFAOYSA-N 0 3 403.866 4.120 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(CC4CCOCC4)CC3)o2)c(Cl)c1 ZINC000537628501 938339578 /nfs/dbraw/zinc/33/95/78/938339578.db2.gz NUXXIZWEKICJNY-UHFFFAOYSA-N 0 3 419.909 4.052 20 5 HIBDHN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539286219 938833530 /nfs/dbraw/zinc/83/35/30/938833530.db2.gz GBCOPENEGOBRHI-KBPBESRZSA-N 0 3 413.865 4.112 20 5 HIBDHN Cc1ccc([C@H](C)NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000539376540 938851177 /nfs/dbraw/zinc/85/11/77/938851177.db2.gz JDMGQUJWLXECGP-NSHDSACASA-N 0 3 421.379 4.088 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCN(c4ncccn4)C3)o2)c(Cl)c1 ZINC000539427919 938859179 /nfs/dbraw/zinc/85/91/79/938859179.db2.gz AEANCLNFWRRZLS-AWEZNQCLSA-N 0 3 413.865 4.057 20 5 HIBDHN COc1cc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539635533 938891405 /nfs/dbraw/zinc/89/14/05/938891405.db2.gz SYYPPJVRDQZAIK-CABCVRRESA-N 0 3 420.428 4.228 20 5 HIBDHN O=C(CN[C@H](c1ccc(Br)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000540377881 939218092 /nfs/dbraw/zinc/21/80/92/939218092.db2.gz ZRNOCTMJNMKNAO-IBGZPJMESA-N 0 3 418.291 4.427 20 5 HIBDHN COc1ccc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000540405072 939236413 /nfs/dbraw/zinc/23/64/13/939236413.db2.gz WKPDNXWBRSTIIZ-HXUWFJFHSA-N 0 3 403.866 4.326 20 5 HIBDHN C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541584879 939560730 /nfs/dbraw/zinc/56/07/30/939560730.db2.gz AQYYVYXKVUKUHH-KXBFYZLASA-N 0 3 419.522 4.488 20 5 HIBDHN O=C1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1c1cccnc1 ZINC000542483007 939831335 /nfs/dbraw/zinc/83/13/35/939831335.db2.gz UHGLATODJJBATH-SFHVURJKSA-N 0 3 408.483 4.004 20 5 HIBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000543444691 940065736 /nfs/dbraw/zinc/06/57/36/940065736.db2.gz QTSHJIFZUMMGPG-UHFFFAOYSA-N 0 3 416.425 4.271 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1 ZINC000543453451 940067661 /nfs/dbraw/zinc/06/76/61/940067661.db2.gz OKEQCHKJBQPAKK-SFHVURJKSA-N 0 3 411.483 4.177 20 5 HIBDHN COc1ccc(OCc2ccccn2)c(CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549808353 941207910 /nfs/dbraw/zinc/20/79/10/941207910.db2.gz NBIGIQMUFIMZDU-UHFFFAOYSA-N 0 3 407.470 4.252 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000551822263 941553224 /nfs/dbraw/zinc/55/32/24/941553224.db2.gz BBJPDPCRBWKZJM-INTAXFPDSA-N 0 3 422.529 4.276 20 5 HIBDHN Cn1ccnc1[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068045 941578398 /nfs/dbraw/zinc/57/83/98/941578398.db2.gz GLHCUOGRIVDVRT-VWNXMTODSA-N 0 3 419.529 4.062 20 5 HIBDHN CCCN(CCN1CCCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553488966 941894780 /nfs/dbraw/zinc/89/47/80/941894780.db2.gz DXPBNCVVRNLYPM-UHFFFAOYSA-N 0 3 402.520 4.056 20 5 HIBDHN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000556316177 942839278 /nfs/dbraw/zinc/83/92/78/942839278.db2.gz RQEQNLRDRFYSHS-UHFFFAOYSA-N 0 3 417.263 4.444 20 5 HIBDHN Cn1ccnc1[C@H](Nc1cccc(CN2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000556896267 942956937 /nfs/dbraw/zinc/95/69/37/942956937.db2.gz 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HIBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000569932953 947044453 /nfs/dbraw/zinc/04/44/53/947044453.db2.gz DTZOESJUODYZCP-NSHDSACASA-N 0 3 410.243 4.176 20 5 HIBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513625 947922005 /nfs/dbraw/zinc/92/20/05/947922005.db2.gz WWISCIZZSYRJRD-CJNGLKHVSA-N 0 3 414.487 4.171 20 5 HIBDHN C[C@@H]1CN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164635847 719255565 /nfs/dbraw/zinc/25/55/65/719255565.db2.gz QRZQFPUQEZCMLE-SJORKVTESA-N 0 3 406.486 4.251 20 5 HIBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)ccc21 ZINC001164722524 720398742 /nfs/dbraw/zinc/39/87/42/720398742.db2.gz DDIFCVWQTLNANX-RTBURBONSA-N 0 3 409.877 4.045 20 5 HIBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731091 720479860 /nfs/dbraw/zinc/47/98/60/720479860.db2.gz VPVAABMCAAKCTL-PMACEKPBSA-N 0 3 419.460 4.044 20 5 HIBDHN COc1ccc(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000019538748 846367901 /nfs/dbraw/zinc/36/79/01/846367901.db2.gz KAFLPTMAAOMCMR-OAQYLSRUSA-N 0 3 405.454 4.116 20 5 HIBDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000026300543 847120741 /nfs/dbraw/zinc/12/07/41/847120741.db2.gz HHOCIZHCWBKDFV-FOIQADDNSA-N 0 3 401.532 4.057 20 5 HIBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000026644917 847180112 /nfs/dbraw/zinc/18/01/12/847180112.db2.gz FDLBUUJIDPDFAU-UHFFFAOYSA-N 0 3 423.513 4.444 20 5 HIBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000060168052 851048666 /nfs/dbraw/zinc/04/86/66/851048666.db2.gz BTGNIKCODLHVRZ-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060269511 851057212 /nfs/dbraw/zinc/05/72/12/851057212.db2.gz NXIWYVBVHHHKNJ-HXUWFJFHSA-N 0 3 415.465 4.052 20 5 HIBDHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002489 851270201 /nfs/dbraw/zinc/27/02/01/851270201.db2.gz OYSOLFGBCVADTQ-UHFFFAOYSA-N 0 3 422.437 4.201 20 5 HIBDHN CN(C)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000064947336 852027801 /nfs/dbraw/zinc/02/78/01/852027801.db2.gz QEPYMNMNRTYPRL-UHFFFAOYSA-N 0 3 402.520 4.055 20 5 HIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110478368 853105541 /nfs/dbraw/zinc/10/55/41/853105541.db2.gz WFBDVOZZKULIMK-MRXNPFEDSA-N 0 3 412.421 4.042 20 5 HIBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217230519 853861374 /nfs/dbraw/zinc/86/13/74/853861374.db2.gz HZWBXDMDQKMWMX-DYVFJYSZSA-N 0 3 411.380 4.020 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000236981042 853946559 /nfs/dbraw/zinc/94/65/59/853946559.db2.gz NGESWLUIWPVPAX-QGZVFWFLSA-N 0 3 400.498 4.035 20 5 HIBDHN COc1cc(CNCCc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237193538 853978889 /nfs/dbraw/zinc/97/88/89/853978889.db2.gz PRKXDGKGZYWDPE-UHFFFAOYSA-N 0 3 420.334 4.155 20 5 HIBDHN COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000237449369 854036243 /nfs/dbraw/zinc/03/62/43/854036243.db2.gz IZMZYVSVMVBPFK-UHFFFAOYSA-N 0 3 420.391 4.313 20 5 HIBDHN C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237456760 854037170 /nfs/dbraw/zinc/03/71/70/854037170.db2.gz YAJJTKHDHSOIMM-GOEBONIOSA-N 0 3 406.866 4.324 20 5 HIBDHN COc1cccc(N2CC[C@@H](CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000237517521 854048596 /nfs/dbraw/zinc/04/85/96/854048596.db2.gz XPKPHPNJSGXXHG-INIZCTEOSA-N 0 3 424.526 4.343 20 5 HIBDHN C[C@H]1CN(c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cn2)CCO1 ZINC000237545367 854052307 /nfs/dbraw/zinc/05/23/07/854052307.db2.gz CBVNGDHUXMJXCD-INIZCTEOSA-N 0 3 424.526 4.233 20 5 HIBDHN O=C(CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc21 ZINC000237997887 854130789 /nfs/dbraw/zinc/13/07/89/854130789.db2.gz HLJLTROZHSZJCU-UHFFFAOYSA-N 0 3 422.510 4.177 20 5 HIBDHN CN1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301692937 854446272 /nfs/dbraw/zinc/44/62/72/854446272.db2.gz ONGCPZCMBLWIRG-ABAIWWIYSA-N 0 3 411.325 4.309 20 5 HIBDHN Cc1nc(CN2CCC(CNc3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000302204126 854550108 /nfs/dbraw/zinc/55/01/08/854550108.db2.gz WFTWACPCHRKLCC-UHFFFAOYSA-N 0 3 409.490 4.380 20 5 HIBDHN O=C1[C@@H](N[C@H](Cc2ccccc2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303420485 854923139 /nfs/dbraw/zinc/92/31/39/854923139.db2.gz UNAVFEOUYLYROI-XZOQPEGZSA-N 0 3 401.466 4.274 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccsc1 ZINC000426259830 856207280 /nfs/dbraw/zinc/20/72/80/856207280.db2.gz BCMMVPAPUOQFPY-FQEVSTJZSA-N 0 3 416.547 4.413 20 5 HIBDHN C[C@@H]1CN(Cc2cccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168082 859550884 /nfs/dbraw/zinc/55/08/84/859550884.db2.gz LHHPJPXRXQJSJH-HXOBKFHXSA-N 0 3 409.530 4.328 20 5 HIBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000434316634 860277002 /nfs/dbraw/zinc/27/70/02/860277002.db2.gz NFTYMRIVXKEUNX-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1ccc(Sc2ccc(CNCC3([S@@](C)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000435736747 861019370 /nfs/dbraw/zinc/01/93/70/861019370.db2.gz YSSFRDGFRLYMEJ-HHHXNRCGSA-N 0 3 404.557 4.445 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000439112542 864550271 /nfs/dbraw/zinc/55/02/71/864550271.db2.gz BJHMDPNLZWPFPE-UHFFFAOYSA-N 0 3 411.955 4.038 20 5 HIBDHN C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000440925099 866021932 /nfs/dbraw/zinc/02/19/32/866021932.db2.gz KXPCHTBPXJWUHQ-BBRMVZONSA-N 0 3 415.877 4.396 20 5 HIBDHN C[C@@H](Cc1ccc(Br)c(F)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837036 870755153 /nfs/dbraw/zinc/75/51/53/870755153.db2.gz UTTLGNBPLUNLGB-JTQLQIEISA-N 0 3 407.243 4.094 20 5 HIBDHN COc1cccc(Oc2ncccc2CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543788 871411418 /nfs/dbraw/zinc/41/14/18/871411418.db2.gz MIXTXBKCYNROQW-VQTJNVASSA-N 0 3 423.473 4.261 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462778767 875834806 /nfs/dbraw/zinc/83/48/06/875834806.db2.gz RZDFZJFVCXZUQX-NRFANRHFSA-N 0 3 409.530 4.287 20 5 HIBDHN CCS[C@H]1CCCC[C@@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771924 883946446 /nfs/dbraw/zinc/94/64/46/883946446.db2.gz HMOLHAFEPFFNQN-GUYCJALGSA-N 0 3 404.479 4.401 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474346524 889221919 /nfs/dbraw/zinc/22/19/19/889221919.db2.gz ISBWFQUBKQOGAF-HXUWFJFHSA-N 0 3 404.438 4.163 20 5 HIBDHN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475170952 890038512 /nfs/dbraw/zinc/03/85/12/890038512.db2.gz BLSQQRLFQXDVPJ-WIYYLYMNSA-N 0 3 410.518 4.270 20 5 HIBDHN COc1cc(CN2CCC[C@@](C)(OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475292591 890197160 /nfs/dbraw/zinc/19/71/60/890197160.db2.gz TXZPBUJWCPMHEF-JOCHJYFZSA-N 0 3 400.475 4.183 20 5 HIBDHN CSc1cccc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C2CCN(C)CC2)c1 ZINC000479004041 894273052 /nfs/dbraw/zinc/27/30/52/894273052.db2.gz VJLGNJDBUQTWAC-UHFFFAOYSA-N 0 3 417.506 4.126 20 5 HIBDHN CC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000479413229 894721326 /nfs/dbraw/zinc/72/13/26/894721326.db2.gz AGZLGHWVOOEDDA-QGZVFWFLSA-N 0 3 418.291 4.427 20 5 HIBDHN C[C@@H](O)[C@@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459194 895844723 /nfs/dbraw/zinc/84/47/23/895844723.db2.gz HFHSMTUFQWDLAJ-OPAMFIHVSA-N 0 3 411.527 4.438 20 5 HIBDHN Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc(N2CCN(C(C)C)CC2)c1 ZINC000482024148 897430695 /nfs/dbraw/zinc/43/06/95/897430695.db2.gz DDMKMUHWIYTSKI-UHFFFAOYSA-N 0 3 421.501 4.167 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000484722207 900152126 /nfs/dbraw/zinc/15/21/26/900152126.db2.gz WQDHSKLOXGATEU-MRXNPFEDSA-N 0 3 423.560 4.200 20 5 HIBDHN CSc1cccc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000486559761 901705831 /nfs/dbraw/zinc/70/58/31/901705831.db2.gz UIGVEJMFIQKFJM-GOSISDBHSA-N 0 3 401.532 4.203 20 5 HIBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486694958 901798282 /nfs/dbraw/zinc/79/82/82/901798282.db2.gz PFKFUEFDJAPCBL-UHFFFAOYSA-N 0 3 421.375 4.351 20 5 HIBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000487468568 902220642 /nfs/dbraw/zinc/22/06/42/902220642.db2.gz QRZZXVGLIOUCKF-UHFFFAOYSA-N 0 3 418.497 4.073 20 5 HIBDHN CC(C)(NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487523290 902232762 /nfs/dbraw/zinc/23/27/62/902232762.db2.gz FQUJWQQOVOIKDM-QGZVFWFLSA-N 0 3 402.520 4.028 20 5 HIBDHN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000488083668 902591095 /nfs/dbraw/zinc/59/10/95/902591095.db2.gz PPQMIPFFOXMWID-GOSISDBHSA-N 0 3 411.527 4.446 20 5 HIBDHN C[C@@H](N[C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039797 903145251 /nfs/dbraw/zinc/14/52/51/903145251.db2.gz SZTIOLFQGAIENA-KUHUBIRLSA-N 0 3 403.454 4.144 20 5 HIBDHN C[C@@H](N[C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039795 903145953 /nfs/dbraw/zinc/14/59/53/903145953.db2.gz SZTIOLFQGAIENA-AUUYWEPGSA-N 0 3 403.454 4.144 20 5 HIBDHN CSCC[C@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000489884982 903651609 /nfs/dbraw/zinc/65/16/09/903651609.db2.gz OKAVSVCQFNJHDT-HIFRSBDPSA-N 0 3 407.561 4.184 20 5 HIBDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490093385 903767199 /nfs/dbraw/zinc/76/71/99/903767199.db2.gz TWUGJKZPVNIJJZ-LJQANCHMSA-N 0 3 405.882 4.205 20 5 HIBDHN Cc1ccc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491016365 904369738 /nfs/dbraw/zinc/36/97/38/904369738.db2.gz CABBJRBBJVFWFV-QHCPKHFHSA-N 0 3 424.522 4.228 20 5 HIBDHN COc1cc(CNCCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491020251 904373789 /nfs/dbraw/zinc/37/37/89/904373789.db2.gz MFWNGEIOWJMTCV-UHFFFAOYSA-N 0 3 400.809 4.233 20 5 HIBDHN COc1cc(CN(C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491132528 904446099 /nfs/dbraw/zinc/44/60/99/904446099.db2.gz IURQEIIMCHAVOX-CYBMUJFWSA-N 0 3 410.417 4.016 20 5 HIBDHN Cn1c(=O)c(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc2ccccc21 ZINC000491469744 904612185 /nfs/dbraw/zinc/61/21/85/904612185.db2.gz DIZYGFKBSNRHGA-UHFFFAOYSA-N 0 3 405.479 4.465 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000493257043 905072066 /nfs/dbraw/zinc/07/20/66/905072066.db2.gz NZAQHEYQBABNGO-SFHVURJKSA-N 0 3 410.518 4.270 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493307833 905081189 /nfs/dbraw/zinc/08/11/89/905081189.db2.gz BESBVFSBQVSTKU-MOPGFXCFSA-N 0 3 410.518 4.270 20 5 HIBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CCN(C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345118 905092206 /nfs/dbraw/zinc/09/22/06/905092206.db2.gz VVWXZARUMMHFDQ-OXJNMPFZSA-N 0 3 411.527 4.221 20 5 HIBDHN COc1cc(CNC[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000493669666 905187594 /nfs/dbraw/zinc/18/75/94/905187594.db2.gz OUGBQLLOPDWIIL-IBGZPJMESA-N 0 3 424.469 4.368 20 5 HIBDHN O=C(C1CCC1)N(CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494030461 905372476 /nfs/dbraw/zinc/37/24/76/905372476.db2.gz WIPHUSIBLYMPQM-QHCPKHFHSA-N 0 3 407.514 4.455 20 5 HIBDHN O=C(NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000494064174 905401671 /nfs/dbraw/zinc/40/16/71/905401671.db2.gz FQQBCTNCCHPECH-QFIPXVFZSA-N 0 3 407.445 4.233 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N(C)C)cc1 ZINC000495178182 906288872 /nfs/dbraw/zinc/28/88/72/906288872.db2.gz POZDVHXBVHEHRX-GOSISDBHSA-N 0 3 424.423 4.024 20 5 HIBDHN Cc1csc(Sc2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000499184738 908540011 /nfs/dbraw/zinc/54/00/11/908540011.db2.gz UMTCQXSANAACBM-AWEZNQCLSA-N 0 3 420.560 4.115 20 5 HIBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502970098 911951680 /nfs/dbraw/zinc/95/16/80/911951680.db2.gz HKHCCJVKYQZNAQ-INIZCTEOSA-N 0 3 413.474 4.091 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294828 914889511 /nfs/dbraw/zinc/88/95/11/914889511.db2.gz LHRWXYSQLIRCEY-HIFRSBDPSA-N 0 3 420.416 4.153 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(c4nnc5ccccn54)CC3)o2)cc1 ZINC000506733776 915418802 /nfs/dbraw/zinc/41/88/02/915418802.db2.gz GQNYOFFTZDRVJP-UHFFFAOYSA-N 0 3 403.442 4.277 20 5 HIBDHN Cc1ccc(NC(=O)C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)nc1 ZINC000507983822 916828289 /nfs/dbraw/zinc/82/82/89/916828289.db2.gz CUDYOIHPPSOWIA-UHFFFAOYSA-N 0 3 420.469 4.409 20 5 HIBDHN CC[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCc2ccccc2C1 ZINC000509296942 917976747 /nfs/dbraw/zinc/97/67/47/917976747.db2.gz RINGTHIWEIQPTC-QFIPXVFZSA-N 0 3 424.545 4.352 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000509368882 918033970 /nfs/dbraw/zinc/03/39/70/918033970.db2.gz AVAIRDNIXPGBET-JOCHJYFZSA-N 0 3 410.518 4.352 20 5 HIBDHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000509531594 918179692 /nfs/dbraw/zinc/17/96/92/918179692.db2.gz FGJODDROYIYEEN-QGZVFWFLSA-N 0 3 411.502 4.325 20 5 HIBDHN COc1cc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000509579341 918228781 /nfs/dbraw/zinc/22/87/81/918228781.db2.gz PHUFUMNDMXDLGQ-UHFFFAOYSA-N 0 3 421.291 4.283 20 5 HIBDHN CCc1cc(N2CCN(CCc3cccs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511734694 920402160 /nfs/dbraw/zinc/40/21/60/920402160.db2.gz OPAZUPWLTIPVGP-UHFFFAOYSA-N 0 3 423.542 4.040 20 5 HIBDHN COc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512355161 921099817 /nfs/dbraw/zinc/09/98/17/921099817.db2.gz RWIPODUUEKIAQD-UHFFFAOYSA-N 0 3 422.485 4.285 20 5 HIBDHN CCN(CC)[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763515 922083154 /nfs/dbraw/zinc/08/31/54/922083154.db2.gz YTJQDMBIKHDSJQ-FCHUYYIVSA-N 0 3 407.518 4.090 20 5 HIBDHN COc1ccccc1[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCCCC1 ZINC000515502887 923137203 /nfs/dbraw/zinc/13/72/03/923137203.db2.gz QSPOSGIYFKTUPG-OAQYLSRUSA-N 0 3 424.501 4.127 20 5 HIBDHN CC(C)c1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] ZINC000517187655 924043865 /nfs/dbraw/zinc/04/38/65/924043865.db2.gz SUPAWLFVGUVYTH-NRFANRHFSA-N 0 3 424.545 4.497 20 5 HIBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892775 929875982 /nfs/dbraw/zinc/87/59/82/929875982.db2.gz MQYAEHCNPGRRFD-WOJBJXKFSA-N 0 3 404.507 4.411 20 5 HIBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524946891 929908154 /nfs/dbraw/zinc/90/81/54/929908154.db2.gz HKGOOBPWEIXNEN-MHECFPHRSA-N 0 3 421.497 4.234 20 5 HIBDHN CCC(=O)N1CC[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000531630560 931132727 /nfs/dbraw/zinc/13/27/27/931132727.db2.gz GBAVPXNRPTWVEB-OAHLLOKOSA-N 0 3 403.866 4.141 20 5 HIBDHN C[C@H]1C[C@H]1c1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893995 931682842 /nfs/dbraw/zinc/68/28/42/931682842.db2.gz ULXJSQPGAUUHIK-KBXCAEBGSA-N 0 3 411.458 4.274 20 5 HIBDHN CN(CCOc1cccc(Cl)c1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532896959 931683785 /nfs/dbraw/zinc/68/37/85/931683785.db2.gz QPSRGTUUHAHECQ-UHFFFAOYSA-N 0 3 401.850 4.457 20 5 HIBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513693 931890685 /nfs/dbraw/zinc/89/06/85/931890685.db2.gz OQQJCZHVGFVURT-XCLFUZPHSA-N 0 3 401.438 4.201 20 5 HIBDHN Cc1c(NC(=O)CCN(Cc2ccnc(OC(C)C)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000535293708 933055811 /nfs/dbraw/zinc/05/58/11/933055811.db2.gz LCDJYFIFFSQWIR-UHFFFAOYSA-N 0 3 412.490 4.079 20 5 HIBDHN COc1cc(CNc2cc(CN(C)C)ccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538608385 938660347 /nfs/dbraw/zinc/66/03/47/938660347.db2.gz PKBSYYLDALCSIJ-UHFFFAOYSA-N 0 3 422.485 4.251 20 5 HIBDHN COc1cc(CN(C)CCc2nccs2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538724850 938692534 /nfs/dbraw/zinc/69/25/34/938692534.db2.gz FRLMHKSBDWPJQO-UHFFFAOYSA-N 0 3 413.499 4.313 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000539047922 938782706 /nfs/dbraw/zinc/78/27/06/938782706.db2.gz ZKVCBANACZJIOF-LBPRGKRZSA-N 0 3 416.279 4.302 20 5 HIBDHN CN(c1ccccc1)c1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000539829654 938950040 /nfs/dbraw/zinc/95/00/40/938950040.db2.gz SUYGJIHXOLXMQU-IBGZPJMESA-N 0 3 405.502 4.161 20 5 HIBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000539893898 938969689 /nfs/dbraw/zinc/96/96/89/938969689.db2.gz BQWBKJDTWRJWGB-KRWDZBQOSA-N 0 3 417.893 4.341 20 5 HIBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000539893899 938969968 /nfs/dbraw/zinc/96/99/68/938969968.db2.gz BQWBKJDTWRJWGB-QGZVFWFLSA-N 0 3 417.893 4.341 20 5 HIBDHN C[C@@H](NC[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377745 939218112 /nfs/dbraw/zinc/21/81/12/939218112.db2.gz UMTNUXGQGIWPIG-WZONZLPQSA-N 0 3 406.482 4.413 20 5 HIBDHN C[C@H](NC[C@H](O)COC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540377744 939218761 /nfs/dbraw/zinc/21/87/61/939218761.db2.gz UMTNUXGQGIWPIG-MBSDFSHPSA-N 0 3 406.482 4.413 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522133 939286877 /nfs/dbraw/zinc/28/68/77/939286877.db2.gz XCVOLCVDMGMMDI-RBZFPXEDSA-N 0 3 401.438 4.119 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(Cl)c1 ZINC000542468783 939828295 /nfs/dbraw/zinc/82/82/95/939828295.db2.gz BHAPQBFYITWHLR-LJQANCHMSA-N 0 3 410.301 4.065 20 5 HIBDHN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000542594153 939847196 /nfs/dbraw/zinc/84/71/96/939847196.db2.gz KJIUIJRFVXLZAT-GOSISDBHSA-N 0 3 403.548 4.187 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000542843836 939862419 /nfs/dbraw/zinc/86/24/19/939862419.db2.gz IJKXPBLUUNXUBX-SFHVURJKSA-N 0 3 419.428 4.072 20 5 HIBDHN CC(C)([C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543411866 940057190 /nfs/dbraw/zinc/05/71/90/940057190.db2.gz PHMTUOBSALENPR-NRFANRHFSA-N 0 3 417.456 4.147 20 5 HIBDHN CC(C)([C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC000544355257 940398619 /nfs/dbraw/zinc/39/86/19/940398619.db2.gz BOMRXQDCBHBQND-OAQYLSRUSA-N 0 3 417.456 4.147 20 5 HIBDHN CCc1ccc([C@H](NC2CCN(Cc3ccccn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544364774 940402601 /nfs/dbraw/zinc/40/26/01/940402601.db2.gz XWWHBFKEKOIOFZ-XMMPIXPASA-N 0 3 420.513 4.489 20 5 HIBDHN C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000545148832 940551251 /nfs/dbraw/zinc/55/12/51/940551251.db2.gz VENFFSDDVIYOBL-QGZVFWFLSA-N 0 3 413.493 4.135 20 5 HIBDHN CCO[C@@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000546760714 940878147 /nfs/dbraw/zinc/87/81/47/940878147.db2.gz GRYKOEOUYRXPNJ-BDTNDASRSA-N 0 3 416.449 4.342 20 5 HIBDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546932602 940917757 /nfs/dbraw/zinc/91/77/57/940917757.db2.gz TVIPVYOJGMIDQU-CYBMUJFWSA-N 0 3 406.280 4.263 20 5 HIBDHN O=C(CCNCc1ccccc1OCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548825353 941125508 /nfs/dbraw/zinc/12/55/08/941125508.db2.gz UFHMIYMUGGGIRS-UHFFFAOYSA-N 0 3 405.454 4.292 20 5 HIBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000550698748 941355674 /nfs/dbraw/zinc/35/56/74/941355674.db2.gz BLLBYUGFWSJZJX-UHFFFAOYSA-N 0 3 406.280 4.288 20 5 HIBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1Cc1ccccc1 ZINC000557039054 943001714 /nfs/dbraw/zinc/00/17/14/943001714.db2.gz UQASVWHTPXQKGL-ACJLOTCBSA-N 0 3 407.392 4.006 20 5 HIBDHN CN(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000557654102 943249414 /nfs/dbraw/zinc/24/94/14/943249414.db2.gz VGYOTDOMHXYQLE-CYBMUJFWSA-N 0 3 411.409 4.333 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CCO4)CC3)o2)c(Br)c1 ZINC000558636438 943622273 /nfs/dbraw/zinc/62/22/73/943622273.db2.gz RPYSKJZLIZBLJI-UHFFFAOYSA-N 0 3 407.264 4.372 20 5 HIBDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000568684022 946654684 /nfs/dbraw/zinc/65/46/84/946654684.db2.gz GWQIOUJVDDDVNB-IBGZPJMESA-N 0 3 410.518 4.101 20 5 HIBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001164622867 719071278 /nfs/dbraw/zinc/07/12/78/719071278.db2.gz JDTQNUOPAJUXBS-MAUKXSAKSA-N 0 3 422.863 4.289 20 5 HIBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001164622869 719071351 /nfs/dbraw/zinc/07/13/51/719071351.db2.gz JDTQNUOPAJUXBS-QAPCUYQASA-N 0 3 422.863 4.289 20 5 HIBDHN CN(C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000025419573 846975081 /nfs/dbraw/zinc/97/50/81/846975081.db2.gz RPQSJSYOGIJUMO-HSZRJFAPSA-N 0 3 418.497 4.240 20 5 HIBDHN CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000025536035 846995060 /nfs/dbraw/zinc/99/50/60/846995060.db2.gz SZCOIJUGTFLJAX-FQEVSTJZSA-N 0 3 401.894 4.061 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(Br)s1 ZINC000026250988 847112423 /nfs/dbraw/zinc/11/24/23/847112423.db2.gz WHAWDASLHVBGBL-UHFFFAOYSA-N 0 3 412.309 4.188 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000042145872 848293036 /nfs/dbraw/zinc/29/30/36/848293036.db2.gz TWKYONDORCUVJG-RDTXWAMCSA-N 0 3 413.474 4.313 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000053157998 849673999 /nfs/dbraw/zinc/67/39/99/849673999.db2.gz UYTSCYZDBGGDCD-GOSISDBHSA-N 0 3 403.866 4.423 20 5 HIBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000059387278 851003824 /nfs/dbraw/zinc/00/38/24/851003824.db2.gz LBBOIXPMQYDDCO-KRWDZBQOSA-N 0 3 410.392 4.018 20 5 HIBDHN Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858593 851232681 /nfs/dbraw/zinc/23/26/81/851232681.db2.gz GCKAXMFBVCBGNA-UHFFFAOYSA-N 0 3 421.476 4.212 20 5 HIBDHN CN(C)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000064947334 852027574 /nfs/dbraw/zinc/02/75/74/852027574.db2.gz IPEQAZVEVWHRQG-UHFFFAOYSA-N 0 3 402.520 4.055 20 5 HIBDHN COC(=O)/C=C/c1ccc(Nc2cccc(CN3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000097551094 852629394 /nfs/dbraw/zinc/62/93/94/852629394.db2.gz BVZXJAVVGGBHJG-SOFGYWHQSA-N 0 3 413.499 4.073 20 5 HIBDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000109890965 853030067 /nfs/dbraw/zinc/03/00/67/853030067.db2.gz AGRTWOVRBCYGPY-UHFFFAOYSA-N 0 3 410.499 4.186 20 5 HIBDHN COc1cc(CNCCCO[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000237392090 854021345 /nfs/dbraw/zinc/02/13/45/854021345.db2.gz BMWFFJLGQRIGKR-HXUWFJFHSA-N 0 3 400.475 4.186 20 5 HIBDHN COc1cc(CNCCCO[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000237392197 854021371 /nfs/dbraw/zinc/02/13/71/854021371.db2.gz BMWFFJLGQRIGKR-FQEVSTJZSA-N 0 3 400.475 4.186 20 5 HIBDHN COc1ccc(C[C@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000237435243 854032757 /nfs/dbraw/zinc/03/27/57/854032757.db2.gz ZPPNLSYXFPSKIF-AWEZNQCLSA-N 0 3 413.499 4.456 20 5 HIBDHN Cn1cc(CNCc2ccc(F)cc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237932721 854121767 /nfs/dbraw/zinc/12/17/67/854121767.db2.gz NAFDQHXMQHHGBA-UHFFFAOYSA-N 0 3 408.355 4.443 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCCN3Cc3ccccc3)cs2)c1 ZINC000238007793 854132933 /nfs/dbraw/zinc/13/29/33/854132933.db2.gz LBVDHDRGRXDEOA-OAQYLSRUSA-N 0 3 408.527 4.473 20 5 HIBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301790961 854465810 /nfs/dbraw/zinc/46/58/10/854465810.db2.gz NWWCKAPVNXGRFZ-ZDUSSCGKSA-N 0 3 405.296 4.390 20 5 HIBDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425955760 856017132 /nfs/dbraw/zinc/01/71/32/856017132.db2.gz AQHOJTMVYGVMHC-UHFFFAOYSA-N 0 3 414.897 4.084 20 5 HIBDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437496951 862853247 /nfs/dbraw/zinc/85/32/47/862853247.db2.gz YXFYMEAGBVAICE-IBGZPJMESA-N 0 3 411.477 4.137 20 5 HIBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437694292 863031684 /nfs/dbraw/zinc/03/16/84/863031684.db2.gz ANAHYPWWVKOUNL-LJQANCHMSA-N 0 3 414.531 4.167 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000431870100 858848016 /nfs/dbraw/zinc/84/80/16/858848016.db2.gz MAEORZOBNKUZMX-SFHVURJKSA-N 0 3 404.536 4.274 20 5 HIBDHN COc1cc([C@@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000433151319 859542874 /nfs/dbraw/zinc/54/28/74/859542874.db2.gz YUDVHQDCRXSVAB-KUHUBIRLSA-N 0 3 400.475 4.048 20 5 HIBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000467700761 881495425 /nfs/dbraw/zinc/49/54/25/881495425.db2.gz NOODGPZGMGPWSC-XJKSGUPXSA-N 0 3 407.392 4.006 20 5 HIBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000434332184 860294130 /nfs/dbraw/zinc/29/41/30/860294130.db2.gz HDZWITHAISHAQZ-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000437998591 863361221 /nfs/dbraw/zinc/36/12/21/863361221.db2.gz JBSKRVGPGWMUQX-XLIONFOSSA-N 0 3 408.502 4.104 20 5 HIBDHN CC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000438338947 863812066 /nfs/dbraw/zinc/81/20/66/863812066.db2.gz BTLMTLNWJFQXLC-OAQYLSRUSA-N 0 3 406.486 4.040 20 5 HIBDHN CC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000438338946 863812262 /nfs/dbraw/zinc/81/22/62/863812262.db2.gz BTLMTLNWJFQXLC-NRFANRHFSA-N 0 3 406.486 4.040 20 5 HIBDHN Cc1c(NC(=O)[C@H](C)N2CCN(C3CCC(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000438554619 863986694 /nfs/dbraw/zinc/98/66/94/863986694.db2.gz AZYSLVDHZURNHL-HDYDNRTBSA-N 0 3 416.566 4.063 20 5 HIBDHN COc1cc(CNCCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000442964832 867767882 /nfs/dbraw/zinc/76/78/82/867767882.db2.gz JCSMEGHVSAGNGA-UHFFFAOYSA-N 0 3 405.401 4.061 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000445645268 869715759 /nfs/dbraw/zinc/71/57/59/869715759.db2.gz OBMDXXZLDJZVAF-IBGZPJMESA-N 0 3 401.532 4.178 20 5 HIBDHN COc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531646 871396602 /nfs/dbraw/zinc/39/66/02/871396602.db2.gz SBIUZFCZDHUWNU-OALUTQOASA-N 0 3 414.506 4.395 20 5 HIBDHN C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000447540084 871407724 /nfs/dbraw/zinc/40/77/24/871407724.db2.gz ISFXFSWRICEBKC-NXMSCROESA-N 0 3 409.530 4.371 20 5 HIBDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886228 871800535 /nfs/dbraw/zinc/80/05/35/871800535.db2.gz OTIOKJLAYFPDIZ-BXTJHSDWSA-N 0 3 417.893 4.333 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1ccc(Br)cc1C ZINC000468642899 882776895 /nfs/dbraw/zinc/77/68/95/882776895.db2.gz VMVLAYVGINQODY-MDWZMJQESA-N 0 3 418.291 4.297 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1ccc(Br)cc1C ZINC000468642898 882777863 /nfs/dbraw/zinc/77/78/63/882777863.db2.gz VMVLAYVGINQODY-JYRVWZFOSA-N 0 3 418.291 4.297 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000463010902 876026326 /nfs/dbraw/zinc/02/63/26/876026326.db2.gz NHEQFLVDPGVSMQ-JOCHJYFZSA-N 0 3 414.469 4.091 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161220 876215930 /nfs/dbraw/zinc/21/59/30/876215930.db2.gz MXFZTKUMMICTHI-XJKSGUPXSA-N 0 3 407.392 4.179 20 5 HIBDHN COc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)N2CCCC2)cc1 ZINC000463958533 877081411 /nfs/dbraw/zinc/08/14/11/877081411.db2.gz PHDYWHHNJBOEOZ-NRFANRHFSA-N 0 3 412.490 4.179 20 5 HIBDHN COc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)N2CCCC2)cc1 ZINC000463958534 877081502 /nfs/dbraw/zinc/08/15/02/877081502.db2.gz PHDYWHHNJBOEOZ-OAQYLSRUSA-N 0 3 412.490 4.179 20 5 HIBDHN COc1cc(Br)ccc1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000469753060 883915158 /nfs/dbraw/zinc/91/51/58/883915158.db2.gz PEMQQQNBFCRKHW-GFCCVEGCSA-N 0 3 422.279 4.045 20 5 HIBDHN COc1ccc(CNC(=O)C2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000470177720 884459099 /nfs/dbraw/zinc/45/90/99/884459099.db2.gz FALURNPDKBIYDZ-NBVRZTHBSA-N 0 3 423.513 4.035 20 5 HIBDHN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000471547777 886255747 /nfs/dbraw/zinc/25/57/47/886255747.db2.gz OEANJURMXMKRSO-ORAYPTAESA-N 0 3 407.923 4.148 20 5 HIBDHN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000471946977 886749469 /nfs/dbraw/zinc/74/94/69/886749469.db2.gz PUMYLOTZXURMAV-NVXWUHKLSA-N 0 3 408.380 4.181 20 5 HIBDHN CC(C)c1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473921908 888802308 /nfs/dbraw/zinc/80/23/08/888802308.db2.gz KNFDNYKEAKBNPO-HDICACEKSA-N 0 3 417.550 4.070 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701952 890640288 /nfs/dbraw/zinc/64/02/88/890640288.db2.gz NDFOEISROJESPL-LBPRGKRZSA-N 0 3 401.394 4.168 20 5 HIBDHN CC1(C)COCCN1CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000477234879 892176589 /nfs/dbraw/zinc/17/65/89/892176589.db2.gz OYCYGCLXYBFKQX-UHFFFAOYSA-N 0 3 419.909 4.241 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000477623436 892736292 /nfs/dbraw/zinc/73/62/92/892736292.db2.gz WPEAKQKPXASNLE-AWEZNQCLSA-N 0 3 407.923 4.260 20 5 HIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923259 893009617 /nfs/dbraw/zinc/00/96/17/893009617.db2.gz OFUVAIVSMWLBMN-GAJHUEQPSA-N 0 3 412.436 4.403 20 5 HIBDHN C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000478616772 893878118 /nfs/dbraw/zinc/87/81/18/893878118.db2.gz BTFLDEPGCJQRSL-QWHCGFSZSA-N 0 3 419.469 4.085 20 5 HIBDHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000479629946 894896939 /nfs/dbraw/zinc/89/69/39/894896939.db2.gz VYOLIXHNJOCPAS-PXNSSMCTSA-N 0 3 411.502 4.209 20 5 HIBDHN COc1cc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125156 895500272 /nfs/dbraw/zinc/50/02/72/895500272.db2.gz NNOSAXJXHWYUFH-SUMWQHHRSA-N 0 3 420.428 4.228 20 5 HIBDHN O=[N+]([O-])c1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1OC(F)F ZINC000480547556 895907280 /nfs/dbraw/zinc/90/72/80/895907280.db2.gz DKOHOJLQKWQRFF-UHFFFAOYSA-N 0 3 409.355 4.413 20 5 HIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696973 896058531 /nfs/dbraw/zinc/05/85/31/896058531.db2.gz JWQDAEXUIPAZHG-SJORKVTESA-N 0 3 422.572 4.226 20 5 HIBDHN Cc1c([C@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534670 898120583 /nfs/dbraw/zinc/12/05/83/898120583.db2.gz JUFCDYBTENLLPE-DLBZAZTESA-N 0 3 400.498 4.206 20 5 HIBDHN CC[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482543291 898131703 /nfs/dbraw/zinc/13/17/03/898131703.db2.gz LKHTTYQRJJZKRO-HRAATJIYSA-N 0 3 400.498 4.288 20 5 HIBDHN COc1c(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000483510912 899173241 /nfs/dbraw/zinc/17/32/41/899173241.db2.gz BCRFZJDZLHQBRZ-UHFFFAOYSA-N 0 3 415.515 4.066 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000485757353 901014183 /nfs/dbraw/zinc/01/41/83/901014183.db2.gz MOWHWRNBLPDTIO-SFHVURJKSA-N 0 3 417.531 4.138 20 5 HIBDHN COc1cc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1[N+](=O)[O-] ZINC000489975999 903707701 /nfs/dbraw/zinc/70/77/01/903707701.db2.gz FCAKPBYDIRNJTE-INIZCTEOSA-N 0 3 412.421 4.172 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938068 904956419 /nfs/dbraw/zinc/95/64/19/904956419.db2.gz SSXOTELQVFNWLN-NQIIRXRSSA-N 0 3 410.518 4.270 20 5 HIBDHN COc1cc(CNC[C@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000493669668 905187282 /nfs/dbraw/zinc/18/72/82/905187282.db2.gz OUGBQLLOPDWIIL-LJQANCHMSA-N 0 3 424.469 4.368 20 5 HIBDHN Cc1ccc([C@@H](CCn2cncn2)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494469813 905750723 /nfs/dbraw/zinc/75/07/23/905750723.db2.gz UWLQZLDWNGHHKO-LJQANCHMSA-N 0 3 419.407 4.435 20 5 HIBDHN COc1cc(CNCCc2ccccc2Cl)c([N+](=O)[O-])cc1OCC(F)F ZINC000494714779 905916485 /nfs/dbraw/zinc/91/64/85/905916485.db2.gz KKWMESSIAPVHPD-UHFFFAOYSA-N 0 3 400.809 4.233 20 5 HIBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000496228169 906634408 /nfs/dbraw/zinc/63/44/08/906634408.db2.gz XINDGWYIMAUMNL-HXUWFJFHSA-N 0 3 424.545 4.414 20 5 HIBDHN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000497957461 907427468 /nfs/dbraw/zinc/42/74/68/907427468.db2.gz JKXGTPDVKXRPBO-FXAWDEMLSA-N 0 3 413.543 4.371 20 5 HIBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513061113 921516880 /nfs/dbraw/zinc/51/68/80/921516880.db2.gz HGLCEIPZYRAUCT-QWHCGFSZSA-N 0 3 406.280 4.425 20 5 HIBDHN COc1ccc(CN2CCC(C)(OC)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000500709810 910034970 /nfs/dbraw/zinc/03/49/70/910034970.db2.gz KRVWIVNDJJAHQH-UHFFFAOYSA-N 0 3 400.475 4.183 20 5 HIBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000501234698 910392801 /nfs/dbraw/zinc/39/28/01/910392801.db2.gz BTYHWQBCZZHDLH-UHFFFAOYSA-N 0 3 416.547 4.302 20 5 HIBDHN COc1cc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1[N+](=O)[O-] ZINC000513173193 921599189 /nfs/dbraw/zinc/59/91/89/921599189.db2.gz JGADXSWLDDLFEV-LJQANCHMSA-N 0 3 410.392 4.114 20 5 HIBDHN O=C(NCc1ccccc1)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506706608 915382546 /nfs/dbraw/zinc/38/25/46/915382546.db2.gz LKXILWRWQFEOCH-UHFFFAOYSA-N 0 3 419.481 4.383 20 5 HIBDHN O=C(NCc1ccccc1)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506744211 915434381 /nfs/dbraw/zinc/43/43/81/915434381.db2.gz PRXUCDQZIHUPJY-UHFFFAOYSA-N 0 3 419.481 4.383 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccccc2Cn2cncn2)s1 ZINC000508725481 917488448 /nfs/dbraw/zinc/48/84/48/917488448.db2.gz ZZIABYNRXRLBKT-UHFFFAOYSA-N 0 3 405.483 4.253 20 5 HIBDHN C[C@H](CN1CCCC1=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000509598761 918248764 /nfs/dbraw/zinc/24/87/64/918248764.db2.gz GOLHYZAWCHBLDG-CQSZACIVSA-N 0 3 403.866 4.141 20 5 HIBDHN O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000510003586 918586259 /nfs/dbraw/zinc/58/62/59/918586259.db2.gz CXGAVCMKQDLAHP-GOSISDBHSA-N 0 3 406.442 4.251 20 5 HIBDHN C[C@H]1CN(C2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554086 918998023 /nfs/dbraw/zinc/99/80/23/918998023.db2.gz PPWIHLFKAYQJKT-IBGZPJMESA-N 0 3 424.545 4.048 20 5 HIBDHN COCC1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000513446032 921812438 /nfs/dbraw/zinc/81/24/38/921812438.db2.gz BNXWDRJLTULBGJ-UHFFFAOYSA-N 0 3 400.475 4.041 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000514625430 922729886 /nfs/dbraw/zinc/72/98/86/922729886.db2.gz DUPOGBGCDPGUFX-LJQANCHMSA-N 0 3 405.882 4.068 20 5 HIBDHN CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000518961941 927659222 /nfs/dbraw/zinc/65/92/22/927659222.db2.gz OGZVNYDEQBSQKW-LJQANCHMSA-N 0 3 415.877 4.207 20 5 HIBDHN CN(C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc1 ZINC000531348669 931026924 /nfs/dbraw/zinc/02/69/24/931026924.db2.gz XARDMBPHKUFYHA-UHFFFAOYSA-N 0 3 403.236 4.136 20 5 HIBDHN C[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629665 931132623 /nfs/dbraw/zinc/13/26/23/931132623.db2.gz MHJQIMQBGPMBDD-VLIAUNLRSA-N 0 3 417.893 4.333 20 5 HIBDHN C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629666 931132829 /nfs/dbraw/zinc/13/28/29/931132829.db2.gz MHJQIMQBGPMBDD-XOBRGWDASA-N 0 3 417.893 4.333 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532215440 931357109 /nfs/dbraw/zinc/35/71/09/931357109.db2.gz OQWCDBPGUOJQHN-DLBZAZTESA-N 0 3 400.498 4.288 20 5 HIBDHN O=[N+]([O-])c1cnn(CCNCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000532866619 931672795 /nfs/dbraw/zinc/67/27/95/931672795.db2.gz XQOBEGSAHNKUOJ-UHFFFAOYSA-N 0 3 422.876 4.087 20 5 HIBDHN C[C@H]1C[C@@H]1c1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893997 931683150 /nfs/dbraw/zinc/68/31/50/931683150.db2.gz ULXJSQPGAUUHIK-KSSFIOAISA-N 0 3 411.458 4.274 20 5 HIBDHN Cc1c(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000533508440 931888561 /nfs/dbraw/zinc/88/85/61/931888561.db2.gz PXIVNFWNUHBFCZ-MRXNPFEDSA-N 0 3 400.454 4.076 20 5 HIBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000537969288 938439355 /nfs/dbraw/zinc/43/93/55/938439355.db2.gz SIJZTJKYKHWCAQ-GFCCVEGCSA-N 0 3 411.380 4.129 20 5 HIBDHN CCC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000538223487 938563339 /nfs/dbraw/zinc/56/33/39/938563339.db2.gz OTCGNQGKTCFZMB-KRWDZBQOSA-N 0 3 407.417 4.341 20 5 HIBDHN CCC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000538223489 938563378 /nfs/dbraw/zinc/56/33/78/938563378.db2.gz OTCGNQGKTCFZMB-QGZVFWFLSA-N 0 3 407.417 4.341 20 5 HIBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000539075477 938795405 /nfs/dbraw/zinc/79/54/05/938795405.db2.gz HDSUBVJQUOQRCE-GFCCVEGCSA-N 0 3 411.380 4.129 20 5 HIBDHN COc1ccc(CN[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125993 938807169 /nfs/dbraw/zinc/80/71/69/938807169.db2.gz KZIHRWCVWLZQRQ-XIKOKIGWSA-N 0 3 409.280 4.232 20 5 HIBDHN Cc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000539291246 938834809 /nfs/dbraw/zinc/83/48/09/938834809.db2.gz VUSNWXGKYWJVEU-CYBMUJFWSA-N 0 3 406.280 4.263 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540066479 939056719 /nfs/dbraw/zinc/05/67/19/939056719.db2.gz JVZLJYQGWZPQJV-OAQYLSRUSA-N 0 3 416.481 4.224 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408011 939237482 /nfs/dbraw/zinc/23/74/82/939237482.db2.gz OCIPDGLNCBVBNA-IAGOWNOFSA-N 0 3 400.498 4.288 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(Cl)c1 ZINC000542471757 939828490 /nfs/dbraw/zinc/82/84/90/939828490.db2.gz NARNBDLDGVPGFY-IBGZPJMESA-N 0 3 410.301 4.065 20 5 HIBDHN CN1CCC(N(Cc2ccco2)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000543122776 939956904 /nfs/dbraw/zinc/95/69/04/939956904.db2.gz HMEOTYCCPSUKQW-UHFFFAOYSA-N 0 3 423.922 4.056 20 5 HIBDHN CCc1ccc([C@@H](NC2CCN(Cc3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543411696 940057326 /nfs/dbraw/zinc/05/73/26/940057326.db2.gz ZZRZMPIIKKGKCQ-DEOSSOPVSA-N 0 3 420.513 4.489 20 5 HIBDHN Cc1nc([C@@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000543623746 940138248 /nfs/dbraw/zinc/13/82/48/940138248.db2.gz JRIYACVINYEBAT-MRXNPFEDSA-N 0 3 411.437 4.332 20 5 HIBDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000543623746 940138255 /nfs/dbraw/zinc/13/82/55/940138255.db2.gz JRIYACVINYEBAT-MRXNPFEDSA-N 0 3 411.437 4.332 20 5 HIBDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000543623746 940138266 /nfs/dbraw/zinc/13/82/66/940138266.db2.gz JRIYACVINYEBAT-MRXNPFEDSA-N 0 3 411.437 4.332 20 5 HIBDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543810635 940194347 /nfs/dbraw/zinc/19/43/47/940194347.db2.gz YWUYCGPHFZMFAF-CYBMUJFWSA-N 0 3 413.865 4.032 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000544608186 940489686 /nfs/dbraw/zinc/48/96/86/940489686.db2.gz MCHAUUVCKKSAEE-OAHLLOKOSA-N 0 3 419.407 4.344 20 5 HIBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547233606 941039932 /nfs/dbraw/zinc/03/99/32/941039932.db2.gz GWPLOZJWPUUTGQ-QGZVFWFLSA-N 0 3 413.493 4.135 20 5 HIBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 ZINC000549088052 941155478 /nfs/dbraw/zinc/15/54/78/941155478.db2.gz RHTVFAYFDLSAHF-SFHVURJKSA-N 0 3 409.408 4.209 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549424101 941188586 /nfs/dbraw/zinc/18/85/86/941188586.db2.gz KYVQSQHIPARZSF-SFHVURJKSA-N 0 3 407.392 4.181 20 5 HIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058125 941575704 /nfs/dbraw/zinc/57/57/04/941575704.db2.gz WOHKCALJMFRVID-XFQXTVEOSA-N 0 3 417.893 4.128 20 5 HIBDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911760 941801948 /nfs/dbraw/zinc/80/19/48/941801948.db2.gz OOHVFNGPGOSCCT-WCQYABFASA-N 0 3 413.421 4.137 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000554354659 942111836 /nfs/dbraw/zinc/11/18/36/942111836.db2.gz MJFULCDUMDUZAQ-HXUWFJFHSA-N 0 3 400.479 4.115 20 5 HIBDHN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554878832 942305545 /nfs/dbraw/zinc/30/55/45/942305545.db2.gz GYHIQJKPJUEZKA-FQEVSTJZSA-N 0 3 408.506 4.453 20 5 HIBDHN COC(=O)COc1ccc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000559071544 943824668 /nfs/dbraw/zinc/82/46/68/943824668.db2.gz DHAZNXAMCWXLMS-ACDBMABISA-N 0 3 410.470 4.057 20 5 HIBDHN CSc1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000561652073 944728954 /nfs/dbraw/zinc/72/89/54/944728954.db2.gz WNPABIDJSBRKKR-IBGZPJMESA-N 0 3 417.531 4.137 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@@H](O)C(F)(F)F)o2)c(Br)c1 ZINC000565859311 945897051 /nfs/dbraw/zinc/89/70/51/945897051.db2.gz BNBSAPLEHMMCFP-CQSZACIVSA-N 0 3 423.185 4.020 20 5 HIBDHN COC[C@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCc2ccccc21 ZINC000569513030 946882989 /nfs/dbraw/zinc/88/29/89/946882989.db2.gz JNPULFVOPFKHDV-QHCPKHFHSA-N 0 3 408.454 4.059 20 5 HIBDHN CSc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000572074334 947839835 /nfs/dbraw/zinc/83/98/35/947839835.db2.gz RFENDUFSODMJIP-LIRRHRJNSA-N 0 3 419.572 4.216 20 5 HIBDHN COc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000019538747 846367704 /nfs/dbraw/zinc/36/77/04/846367704.db2.gz KAFLPTMAAOMCMR-NRFANRHFSA-N 0 3 405.454 4.116 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000057783166 850714581 /nfs/dbraw/zinc/71/45/81/850714581.db2.gz KVCAVZMCPWESQY-UHFFFAOYSA-N 0 3 414.531 4.019 20 5 HIBDHN Cc1c(NC(=O)CCN(Cc2cccc(F)c2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060269521 851057294 /nfs/dbraw/zinc/05/72/94/851057294.db2.gz YLNZHEIZSQLWOX-LJQANCHMSA-N 0 3 415.465 4.052 20 5 HIBDHN Cc1c(NC(=O)CCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060269519 851057367 /nfs/dbraw/zinc/05/73/67/851057367.db2.gz YLNZHEIZSQLWOX-IBGZPJMESA-N 0 3 415.465 4.052 20 5 HIBDHN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060543839 851141317 /nfs/dbraw/zinc/14/13/17/851141317.db2.gz JKXGTPDVKXRPBO-PXNSSMCTSA-N 0 3 413.543 4.371 20 5 HIBDHN CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000072006512 852462260 /nfs/dbraw/zinc/46/22/60/852462260.db2.gz CGKKVARFMWAGEO-HXUWFJFHSA-N 0 3 401.894 4.451 20 5 HIBDHN COc1cccc(CN2CCC(Nc3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000108095850 852822150 /nfs/dbraw/zinc/82/21/50/852822150.db2.gz PEHVBQDLUZLZIZ-UHFFFAOYSA-N 0 3 420.307 4.442 20 5 HIBDHN COc1ccc(OC)c([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000150214351 853640793 /nfs/dbraw/zinc/64/07/93/853640793.db2.gz QBZMWKYCFJFMRL-HXUWFJFHSA-N 0 3 413.474 4.086 20 5 HIBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000214166837 853828947 /nfs/dbraw/zinc/82/89/47/853828947.db2.gz RQDSMXDKTGTTIZ-FLIBITNWSA-N 0 3 421.419 4.217 20 5 HIBDHN CN1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301851391 854475710 /nfs/dbraw/zinc/47/57/10/854475710.db2.gz ANQSUTOPNPZIKK-BDJLRTHQSA-N 0 3 411.325 4.309 20 5 HIBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437350522 862630188 /nfs/dbraw/zinc/63/01/88/862630188.db2.gz VYGMMTTYXSNUSP-UHFFFAOYSA-N 0 3 421.419 4.350 20 5 HIBDHN C[C@@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCCN1Cc1ccccc1 ZINC000428322362 857152723 /nfs/dbraw/zinc/15/27/23/857152723.db2.gz DSFZJUMJJNJUCP-FQEVSTJZSA-N 0 3 421.419 4.398 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(Cn4cncn4)CC3)o2)c(Cl)c1 ZINC000428483364 857221125 /nfs/dbraw/zinc/22/11/25/857221125.db2.gz JMSFUWIXYFJAKA-UHFFFAOYSA-N 0 3 401.854 4.012 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ncccc2Cl)CC1 ZINC000429218462 857559944 /nfs/dbraw/zinc/55/99/44/857559944.db2.gz VLINCYYOKNFXES-UHFFFAOYSA-N 0 3 402.882 4.160 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000430999656 858398893 /nfs/dbraw/zinc/39/88/93/858398893.db2.gz MRBHCUSKPVMHDB-HNNXBMFYSA-N 0 3 401.488 4.031 20 5 HIBDHN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178942 859556868 /nfs/dbraw/zinc/55/68/68/859556868.db2.gz SIPUDTAOJIKGPX-IVZQSRNASA-N 0 3 423.513 4.325 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCC1CC1)c1ccccc1 ZINC000439637685 864965423 /nfs/dbraw/zinc/96/54/23/864965423.db2.gz HCEGMGCDWBVOGY-SFHVURJKSA-N 0 3 418.291 4.427 20 5 HIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817285 865133865 /nfs/dbraw/zinc/13/38/65/865133865.db2.gz AWYXEQCLVFGZNZ-JKSUJKDBSA-N 0 3 400.454 4.329 20 5 HIBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCCN2Cc2ccccc21 ZINC000443859127 868391285 /nfs/dbraw/zinc/39/12/85/868391285.db2.gz WVCDUWRVSCXWBP-OAHLLOKOSA-N 0 3 405.376 4.238 20 5 HIBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000443894632 868429902 /nfs/dbraw/zinc/42/99/02/868429902.db2.gz DQERJNKDZZEKTI-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444259966 868703819 /nfs/dbraw/zinc/70/38/19/868703819.db2.gz MEACJTYMQJYZKH-UHFFFAOYSA-N 0 3 403.457 4.443 20 5 HIBDHN CC(C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(C)CC1 ZINC000444863788 869064443 /nfs/dbraw/zinc/06/44/43/869064443.db2.gz ZPIXEQATHDLPQS-JOCHJYFZSA-N 0 3 405.542 4.168 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000446494671 870408870 /nfs/dbraw/zinc/40/88/70/870408870.db2.gz MXOFGQWBOLJVMP-FQEVSTJZSA-N 0 3 400.479 4.116 20 5 HIBDHN COCC[C@@]1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000447079427 870965915 /nfs/dbraw/zinc/96/59/15/870965915.db2.gz YXGJJQPJHFFDGB-HXUWFJFHSA-N 0 3 406.866 4.326 20 5 HIBDHN O=C(Nc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1cccnc1 ZINC000447527856 871393671 /nfs/dbraw/zinc/39/36/71/871393671.db2.gz GGJDSSJSBUAXPL-QFIPXVFZSA-N 0 3 402.454 4.409 20 5 HIBDHN O=C(Nc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1ccncc1 ZINC000447539421 871403477 /nfs/dbraw/zinc/40/34/77/871403477.db2.gz GLVXMCSTMPFLTL-QFIPXVFZSA-N 0 3 402.454 4.409 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccnc2Oc2cccc(F)c2)n1 ZINC000447546569 871416289 /nfs/dbraw/zinc/41/62/89/871416289.db2.gz XBQGLFWVWUIMCO-RBUKOAKNSA-N 0 3 411.437 4.391 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462158497 875254810 /nfs/dbraw/zinc/25/48/10/875254810.db2.gz LXZDPGYXLJSYMQ-JXFKEZNVSA-N 0 3 413.543 4.346 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)c(C)c2)CC1 ZINC000463954955 877076900 /nfs/dbraw/zinc/07/69/00/877076900.db2.gz LTMROWBZJNFSIA-UHFFFAOYSA-N 0 3 411.506 4.306 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738690 877974027 /nfs/dbraw/zinc/97/40/27/877974027.db2.gz SZJNSCXXFKFKCG-HUUCEWRRSA-N 0 3 401.429 4.169 20 5 HIBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)cc1F ZINC000464769784 878013689 /nfs/dbraw/zinc/01/36/89/878013689.db2.gz AFUQTDLUNJPCFK-UHFFFAOYSA-N 0 3 421.856 4.259 20 5 HIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464845243 878118064 /nfs/dbraw/zinc/11/80/64/878118064.db2.gz LWNHUXKSEGFCSK-QZTJIDSGSA-N 0 3 421.501 4.302 20 5 HIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464845245 878118508 /nfs/dbraw/zinc/11/85/08/878118508.db2.gz LWNHUXKSEGFCSK-ZWKOTPCHSA-N 0 3 421.501 4.302 20 5 HIBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000503495400 912542850 /nfs/dbraw/zinc/54/28/50/912542850.db2.gz PIBGUJHRYZREON-SFHVURJKSA-N 0 3 417.893 4.081 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1ccccc1Cl ZINC000503495228 912543241 /nfs/dbraw/zinc/54/32/41/912543241.db2.gz UKHUVIJMOLZOOM-QGZVFWFLSA-N 0 3 401.850 4.383 20 5 HIBDHN COc1cc(Br)ccc1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469757567 883922200 /nfs/dbraw/zinc/92/22/00/883922200.db2.gz SCRSJFSHCHQXLB-LBPRGKRZSA-N 0 3 422.279 4.045 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000470177840 884461702 /nfs/dbraw/zinc/46/17/02/884461702.db2.gz UTYJDNWDODCHHH-SAPNQHFASA-N 0 3 413.543 4.131 20 5 HIBDHN COc1ccc(-c2ccc(CN3CC[C@@]4(C3)OCc3ccccc34)o2)c([N+](=O)[O-])c1 ZINC000473115476 887912490 /nfs/dbraw/zinc/91/24/90/887912490.db2.gz BJQQGMZDBWNGCM-QHCPKHFHSA-N 0 3 406.438 4.495 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474349694 889227613 /nfs/dbraw/zinc/22/76/13/889227613.db2.gz ABBBOXMLRUCEPI-KPFBPEDLSA-N 0 3 418.877 4.287 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474373880 889251660 /nfs/dbraw/zinc/25/16/60/889251660.db2.gz NRKANWZBRJEKMU-NRFANRHFSA-N 0 3 400.475 4.332 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)c(C)c2)CC1 ZINC000475639745 890582752 /nfs/dbraw/zinc/58/27/52/890582752.db2.gz PJAGRINZIOZVHB-UHFFFAOYSA-N 0 3 411.506 4.306 20 5 HIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000504919982 913657007 /nfs/dbraw/zinc/65/70/07/913657007.db2.gz MFVRYGFZRLMZDJ-MOPGFXCFSA-N 0 3 413.543 4.419 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477461196 892427910 /nfs/dbraw/zinc/42/79/10/892427910.db2.gz AJAFCAPBWJVXMQ-UHFFFAOYSA-N 0 3 423.391 4.230 20 5 HIBDHN CCOc1ccc([C@@H](C)NCCC(=O)Nc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000504931491 913672849 /nfs/dbraw/zinc/67/28/49/913672849.db2.gz YISFCURDCUFUMY-CYBMUJFWSA-N 0 3 421.881 4.335 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 ZINC000479926569 895274468 /nfs/dbraw/zinc/27/44/68/895274468.db2.gz PLZCSCOWGOAABI-ZDUSSCGKSA-N 0 3 408.271 4.113 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481007038 896338846 /nfs/dbraw/zinc/33/88/46/896338846.db2.gz YETWMWQKNRFSII-HRAATJIYSA-N 0 3 414.506 4.045 20 5 HIBDHN Cc1sc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000481638759 897022691 /nfs/dbraw/zinc/02/26/91/897022691.db2.gz AAKKFPBZBDUQDO-UHFFFAOYSA-N 0 3 402.520 4.056 20 5 HIBDHN CCC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256650 897738017 /nfs/dbraw/zinc/73/80/17/897738017.db2.gz NFEITABSEYCBEG-OALUTQOASA-N 0 3 401.532 4.451 20 5 HIBDHN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cn1 ZINC000482985326 898624163 /nfs/dbraw/zinc/62/41/63/898624163.db2.gz SAGOWPFWJZDWNS-GFCCVEGCSA-N 0 3 417.263 4.301 20 5 HIBDHN CSc1cccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000485757899 901015134 /nfs/dbraw/zinc/01/51/34/901015134.db2.gz JXKVTLOMSQRPLB-IBGZPJMESA-N 0 3 413.543 4.129 20 5 HIBDHN C[C@H](N[C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039798 903146129 /nfs/dbraw/zinc/14/61/29/903146129.db2.gz SZTIOLFQGAIENA-LIRRHRJNSA-N 0 3 403.454 4.144 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000489617328 903499329 /nfs/dbraw/zinc/49/93/29/903499329.db2.gz AVMIGVKEASIPHG-QFIPXVFZSA-N 0 3 408.502 4.044 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000489916890 903672514 /nfs/dbraw/zinc/67/25/14/903672514.db2.gz WESLUFBIUAIWKG-MAUKXSAKSA-N 0 3 402.520 4.162 20 5 HIBDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490049005 903741712 /nfs/dbraw/zinc/74/17/12/903741712.db2.gz VAXIGAWFTCAUJD-LJQANCHMSA-N 0 3 405.882 4.205 20 5 HIBDHN O=C(c1ccoc1)N1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490123900 903780412 /nfs/dbraw/zinc/78/04/12/903780412.db2.gz GQKQHOSKFMMACQ-QFIPXVFZSA-N 0 3 405.454 4.172 20 5 HIBDHN C[C@H](OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830262 904274246 /nfs/dbraw/zinc/27/42/46/904274246.db2.gz WNSNEIVCVFASNW-BTYIYWSLSA-N 0 3 404.894 4.351 20 5 HIBDHN CN(CCOc1ccccc1Cl)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506148638 914825263 /nfs/dbraw/zinc/82/52/63/914825263.db2.gz SEOSIAAAXWGZEV-UHFFFAOYSA-N 0 3 400.866 4.160 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000493074854 905010888 /nfs/dbraw/zinc/01/08/88/905010888.db2.gz DYNGXAMPOALYAC-OAHLLOKOSA-N 0 3 420.460 4.016 20 5 HIBDHN CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000495363028 906403192 /nfs/dbraw/zinc/40/31/92/906403192.db2.gz FCPFFEBXNWWKRO-UHFFFAOYSA-N 0 3 408.424 4.152 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000500846296 910120106 /nfs/dbraw/zinc/12/01/06/910120106.db2.gz YZDSQJYFKDOWFC-YJBOKZPZSA-N 0 3 422.510 4.284 20 5 HIBDHN C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCOC1 ZINC000502620100 911646407 /nfs/dbraw/zinc/64/64/07/911646407.db2.gz GMBHCHBHHMJJOZ-YYFZDKIDSA-N 0 3 417.893 4.333 20 5 HIBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000502823401 911838152 /nfs/dbraw/zinc/83/81/52/911838152.db2.gz AJNARPUBZMPTCJ-UHFFFAOYSA-N 0 3 413.543 4.275 20 5 HIBDHN CN(C)Cc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000506774922 915488417 /nfs/dbraw/zinc/48/84/17/915488417.db2.gz DHRBKRAMXIJHMQ-UHFFFAOYSA-N 0 3 410.396 4.116 20 5 HIBDHN CCOC(=O)CC1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000507369351 916126696 /nfs/dbraw/zinc/12/66/96/916126696.db2.gz DLYRFEFZZJWQRV-UHFFFAOYSA-N 0 3 402.447 4.029 20 5 HIBDHN Cc1c(NC(=O)[C@H](C)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507636472 916395359 /nfs/dbraw/zinc/39/53/59/916395359.db2.gz OQJGPOMZAPXYAM-KRWDZBQOSA-N 0 3 421.501 4.185 20 5 HIBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC3(CCCCC3)CC2)cc1SC ZINC000508300445 917110037 /nfs/dbraw/zinc/11/00/37/917110037.db2.gz OXVNHHIXYPHBQJ-UHFFFAOYSA-N 0 3 421.563 4.101 20 5 HIBDHN COc1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000509578758 918227531 /nfs/dbraw/zinc/22/75/31/918227531.db2.gz JZAFUZKLSAJYET-UHFFFAOYSA-N 0 3 421.291 4.283 20 5 HIBDHN COc1cc(CNC[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509594157 918243056 /nfs/dbraw/zinc/24/30/56/918243056.db2.gz SEXWAYICGPRDDZ-HXUWFJFHSA-N 0 3 420.465 4.276 20 5 HIBDHN Cn1cc(CN2CCC(OCCc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510364258 918854056 /nfs/dbraw/zinc/85/40/56/918854056.db2.gz OMHJSIMLSIMBKL-UHFFFAOYSA-N 0 3 420.513 4.219 20 5 HIBDHN CC1CCN(C(=O)C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)CC1 ZINC000510422451 918887540 /nfs/dbraw/zinc/88/75/40/918887540.db2.gz VQUWCGKWEKNFFZ-UHFFFAOYSA-N 0 3 411.502 4.325 20 5 HIBDHN C[C@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)C3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000511389484 919994658 /nfs/dbraw/zinc/99/46/58/919994658.db2.gz CBJWJLXPZSAJIL-SFHVURJKSA-N 0 3 416.566 4.168 20 5 HIBDHN Cn1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511646494 920313788 /nfs/dbraw/zinc/31/37/88/920313788.db2.gz HHZMZDUMXLTCIX-QFIPXVFZSA-N 0 3 406.486 4.177 20 5 HIBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCN(c3ccccn3)C2)ccc1Oc1ccc(F)cc1 ZINC000513507456 921855168 /nfs/dbraw/zinc/85/51/68/921855168.db2.gz UMXGUDBMQBOYQI-GOSISDBHSA-N 0 3 408.433 4.290 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(c4cccnn4)CC3)o2)c(Cl)c1 ZINC000513696672 922016717 /nfs/dbraw/zinc/01/67/17/922016717.db2.gz BZPQRBRYOYVLID-UHFFFAOYSA-N 0 3 413.865 4.011 20 5 HIBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000521571279 929304141 /nfs/dbraw/zinc/30/41/41/929304141.db2.gz AMNQALXOTDBNEV-UHFFFAOYSA-N 0 3 415.437 4.188 20 5 HIBDHN CC(C)(C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000521829217 929482450 /nfs/dbraw/zinc/48/24/50/929482450.db2.gz USVDHRYRCLMWMX-UHFFFAOYSA-N 0 3 424.295 4.012 20 5 HIBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000521883175 929533436 /nfs/dbraw/zinc/53/34/36/929533436.db2.gz ISAUMKJCRYQEHV-IBGZPJMESA-N 0 3 424.526 4.331 20 5 HIBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524946892 929907908 /nfs/dbraw/zinc/90/79/08/929907908.db2.gz HKGOOBPWEIXNEN-UUOWRZLLSA-N 0 3 421.497 4.234 20 5 HIBDHN C[C@@H](c1ccncc1)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532669677 931578231 /nfs/dbraw/zinc/57/82/31/931578231.db2.gz OLLRXDWOFMDZOD-INIZCTEOSA-N 0 3 423.542 4.429 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000533055262 931756889 /nfs/dbraw/zinc/75/68/89/931756889.db2.gz WZIVFXOTWDUMOW-QHCPKHFHSA-N 0 3 423.444 4.450 20 5 HIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533369253 931850965 /nfs/dbraw/zinc/85/09/65/931850965.db2.gz GYXBNIXCTQYQQT-MRXNPFEDSA-N 0 3 412.421 4.042 20 5 HIBDHN CCOc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513641 931890518 /nfs/dbraw/zinc/89/05/18/931890518.db2.gz MGOKFXJSZIPBET-OAQYLSRUSA-N 0 3 401.438 4.202 20 5 HIBDHN C[C@](O)(CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000534829553 932798163 /nfs/dbraw/zinc/79/81/63/932798163.db2.gz NXQLPAUXPYTTPP-INIZCTEOSA-N 0 3 404.772 4.443 20 5 HIBDHN COc1cc(CNc2cc(CN(C)C)ccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537506461 933797025 /nfs/dbraw/zinc/79/70/25/933797025.db2.gz VDRNOCBCAIAEAJ-UHFFFAOYSA-N 0 3 422.485 4.251 20 5 HIBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322961 938592606 /nfs/dbraw/zinc/59/26/06/938592606.db2.gz HLKZTDWNHZCVKY-XCLFUZPHSA-N 0 3 401.438 4.119 20 5 HIBDHN COc1ccc(CN[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125984 938807145 /nfs/dbraw/zinc/80/71/45/938807145.db2.gz KZIHRWCVWLZQRQ-KPZWWZAWSA-N 0 3 409.280 4.232 20 5 HIBDHN Cc1cc(C)n(-c2ccccc2CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539514146 938871774 /nfs/dbraw/zinc/87/17/74/938871774.db2.gz HIWQGYNJSMUZRG-UHFFFAOYSA-N 0 3 416.485 4.088 20 5 HIBDHN COc1ccc(NC(=O)CN[C@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000540430559 939246358 /nfs/dbraw/zinc/24/63/58/939246358.db2.gz RFOCJKZMUGTJHX-NRFANRHFSA-N 0 3 401.438 4.202 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000541328492 939491034 /nfs/dbraw/zinc/49/10/34/939491034.db2.gz PWOUPHBWVCHXFM-IBGZPJMESA-N 0 3 408.907 4.153 20 5 HIBDHN Cc1c(Br)c(N(C)C2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000541576502 939559117 /nfs/dbraw/zinc/55/91/17/939559117.db2.gz KYNANWPCNMZXDG-UHFFFAOYSA-N 0 3 419.323 4.162 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000542258501 939774341 /nfs/dbraw/zinc/77/43/41/939774341.db2.gz GAMDYFMUXJGSQF-FQEVSTJZSA-N 0 3 406.479 4.029 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CNCCC(=O)Nc1ccc(Br)cc1C ZINC000542693826 939854812 /nfs/dbraw/zinc/85/48/12/939854812.db2.gz ZNRWRHCYXIZLHZ-UHFFFAOYSA-N 0 3 406.280 4.093 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000543621673 940137198 /nfs/dbraw/zinc/13/71/98/940137198.db2.gz XUYQMAZEKXQQST-UHFFFAOYSA-N 0 3 413.481 4.500 20 5 HIBDHN CCO[C@@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000546760727 940878573 /nfs/dbraw/zinc/87/85/73/940878573.db2.gz GRYKOEOUYRXPNJ-YPAWHYETSA-N 0 3 416.449 4.342 20 5 HIBDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C2)cn1 ZINC000552077082 941580920 /nfs/dbraw/zinc/58/09/20/941580920.db2.gz VXLPHSVUIZQHDX-KRWDZBQOSA-N 0 3 410.449 4.324 20 5 HIBDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911761 941802096 /nfs/dbraw/zinc/80/20/96/941802096.db2.gz OOHVFNGPGOSCCT-YPMHNXCESA-N 0 3 413.421 4.137 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC000554015223 942019300 /nfs/dbraw/zinc/01/93/00/942019300.db2.gz RWRRXUFADWIUDV-LJQANCHMSA-N 0 3 411.458 4.161 20 5 HIBDHN CCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000558065432 943370501 /nfs/dbraw/zinc/37/05/01/943370501.db2.gz XOPLHFPGWOVNAY-UHFFFAOYSA-N 0 3 416.524 4.407 20 5 HIBDHN C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000561533185 944659585 /nfs/dbraw/zinc/65/95/85/944659585.db2.gz IZJDXZBAEYVNNB-GOSISDBHSA-N 0 3 423.513 4.120 20 5 HIBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000561728443 944766901 /nfs/dbraw/zinc/76/69/01/944766901.db2.gz TVBQJAKJZUIHGB-SFHVURJKSA-N 0 3 419.572 4.461 20 5 HIBDHN O=C1[C@H](N[C@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384085 945821411 /nfs/dbraw/zinc/82/14/11/945821411.db2.gz GEBBIIKAKCBDRF-WOJBJXKFSA-N 0 3 407.495 4.335 20 5 HIBDHN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164619227 719056081 /nfs/dbraw/zinc/05/60/81/719056081.db2.gz CBNROVCGSUFVBK-QAPCUYQASA-N 0 3 422.863 4.289 20 5 HIBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731092 720479546 /nfs/dbraw/zinc/47/95/46/720479546.db2.gz VPVAABMCAAKCTL-UXHICEINSA-N 0 3 419.460 4.044 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 ZINC000435939002 861202095 /nfs/dbraw/zinc/20/20/95/861202095.db2.gz MNZOSXJYYUWPIJ-XMMPIXPASA-N 0 3 413.521 4.494 20 5 HIBDHN CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000025536030 846994335 /nfs/dbraw/zinc/99/43/35/846994335.db2.gz SZCOIJUGTFLJAX-HXUWFJFHSA-N 0 3 401.894 4.061 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988369 847975971 /nfs/dbraw/zinc/97/59/71/847975971.db2.gz WKUPCUXRDAFQRY-LJQANCHMSA-N 0 3 402.520 4.044 20 5 HIBDHN COc1cccc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000061012822 851271972 /nfs/dbraw/zinc/27/19/72/851271972.db2.gz ABIDOINUTUZMQZ-UHFFFAOYSA-N 0 3 408.454 4.481 20 5 HIBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000064412326 851891270 /nfs/dbraw/zinc/89/12/70/851891270.db2.gz TZUXWWFZCHOKCP-UHFFFAOYSA-N 0 3 410.396 4.209 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000065121940 852071594 /nfs/dbraw/zinc/07/15/94/852071594.db2.gz VVNSJAZEYXBXEQ-CQSZACIVSA-N 0 3 415.437 4.488 20 5 HIBDHN COc1ccc(OC)c([C@@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000150214847 853640185 /nfs/dbraw/zinc/64/01/85/853640185.db2.gz XSIZMDVRRACRJE-FQEVSTJZSA-N 0 3 413.474 4.086 20 5 HIBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000195724771 853779306 /nfs/dbraw/zinc/77/93/06/853779306.db2.gz IWPIZTUUAISLIR-UHFFFAOYSA-N 0 3 407.923 4.174 20 5 HIBDHN CC(C)(C)C(=O)NCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236794261 853923510 /nfs/dbraw/zinc/92/35/10/853923510.db2.gz CADQCGYSBKXDEH-UHFFFAOYSA-N 0 3 405.882 4.292 20 5 HIBDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237015640 853951157 /nfs/dbraw/zinc/95/11/57/853951157.db2.gz QTXZYTJBEOIUEV-HXUWFJFHSA-N 0 3 409.511 4.112 20 5 HIBDHN CN(C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000237039268 853955809 /nfs/dbraw/zinc/95/58/09/853955809.db2.gz FOBQAIZASDLOJI-LJQANCHMSA-N 0 3 400.479 4.250 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3nccn3Cc3ccccc3)cs2)c1 ZINC000238006651 854132947 /nfs/dbraw/zinc/13/29/47/854132947.db2.gz WSHZWUQYVUJFMT-UHFFFAOYSA-N 0 3 419.510 4.295 20 5 HIBDHN CN1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301851393 854476432 /nfs/dbraw/zinc/47/64/32/854476432.db2.gz ANQSUTOPNPZIKK-MEDUHNTESA-N 0 3 411.325 4.309 20 5 HIBDHN C[C@@H]1CCCCN1Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302609454 854592292 /nfs/dbraw/zinc/59/22/92/854592292.db2.gz DTOBOQADIMXNJY-OAHLLOKOSA-N 0 3 403.504 4.116 20 5 HIBDHN C[C@H]1CCCCN1Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000302609451 854592758 /nfs/dbraw/zinc/59/27/58/854592758.db2.gz DTOBOQADIMXNJY-HNNXBMFYSA-N 0 3 403.504 4.116 20 5 HIBDHN CC(C)(NCCc1nc2sc3c(c2c(N)n1)CCCC3)c1ccccc1[N+](=O)[O-] ZINC000429259574 857579758 /nfs/dbraw/zinc/57/97/58/857579758.db2.gz YLANBYABROXKJP-UHFFFAOYSA-N 0 3 411.531 4.128 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899928 860544537 /nfs/dbraw/zinc/54/45/37/860544537.db2.gz KWOWFPKZNWSHSG-UHFFFAOYSA-N 0 3 415.877 4.375 20 5 HIBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439528961 864865488 /nfs/dbraw/zinc/86/54/88/864865488.db2.gz GDDAYFITDBRNJL-FQEVSTJZSA-N 0 3 410.518 4.240 20 5 HIBDHN CC(C)(CN[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1Cl ZINC000439654438 864981049 /nfs/dbraw/zinc/98/10/49/864981049.db2.gz YVFWVIQXDBWMRU-QGZVFWFLSA-N 0 3 405.857 4.060 20 5 HIBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442805169 867681180 /nfs/dbraw/zinc/68/11/80/867681180.db2.gz ZCFXJTIIMVONMD-QGZVFWFLSA-N 0 3 411.527 4.493 20 5 HIBDHN COc1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071805 867809618 /nfs/dbraw/zinc/80/96/18/867809618.db2.gz QPRREAFBTFDBJW-OXQOHEQNSA-N 0 3 400.475 4.182 20 5 HIBDHN C[C@@H](Cc1ccc(Br)cc1F)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837956 870756223 /nfs/dbraw/zinc/75/62/23/870756223.db2.gz CMZVEWQUPBVGOU-JTQLQIEISA-N 0 3 407.243 4.094 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526588 871390333 /nfs/dbraw/zinc/39/03/33/871390333.db2.gz DCSYIZCDYRKPPB-KGLIPLIRSA-N 0 3 400.813 4.320 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526587 871391645 /nfs/dbraw/zinc/39/16/45/871391645.db2.gz DCSYIZCDYRKPPB-KBPBESRZSA-N 0 3 400.813 4.320 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529188 871393571 /nfs/dbraw/zinc/39/35/71/871393571.db2.gz KUEDAKKYQCIQEX-QFBILLFUSA-N 0 3 410.392 4.021 20 5 HIBDHN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543551 871413060 /nfs/dbraw/zinc/41/30/60/871413060.db2.gz RRFLCBAZLXPWOS-OPAMFIHVSA-N 0 3 412.509 4.214 20 5 HIBDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886229 871800910 /nfs/dbraw/zinc/80/09/10/871800910.db2.gz OTIOKJLAYFPDIZ-MDOVXXIYSA-N 0 3 417.893 4.333 20 5 HIBDHN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ccccc1)N(C)C ZINC000503526613 912578064 /nfs/dbraw/zinc/57/80/64/912578064.db2.gz GZAZIYQOQHUKFE-SCLBCKFNSA-N 0 3 424.423 4.104 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000470170044 884448332 /nfs/dbraw/zinc/44/83/32/884448332.db2.gz NRMWGKLQYFRBST-PTNGSMBKSA-N 0 3 414.893 4.397 20 5 HIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000475565527 890496019 /nfs/dbraw/zinc/49/60/19/890496019.db2.gz QBSHCUFENJGHAL-UHFFFAOYSA-N 0 3 404.898 4.461 20 5 HIBDHN CCOc1ccc([C@@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1[N+](=O)[O-] ZINC000504905083 913638376 /nfs/dbraw/zinc/63/83/76/913638376.db2.gz BUXNKWGCQFWBRS-QGZVFWFLSA-N 0 3 407.470 4.054 20 5 HIBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000478006084 893110955 /nfs/dbraw/zinc/11/09/55/893110955.db2.gz XYUTXZIEPYBHAK-CQSZACIVSA-N 0 3 411.325 4.113 20 5 HIBDHN C[C@@H](O)[C@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459196 895845289 /nfs/dbraw/zinc/84/52/89/895845289.db2.gz HFHSMTUFQWDLAJ-ZHRRBRCNSA-N 0 3 411.527 4.438 20 5 HIBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC(F)F)cc1 ZINC000505614075 914317789 /nfs/dbraw/zinc/31/77/89/914317789.db2.gz VQCCFDOPBOZFAC-UHFFFAOYSA-N 0 3 402.401 4.229 20 5 HIBDHN CSc1cccc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225368 901408772 /nfs/dbraw/zinc/40/87/72/901408772.db2.gz MNQNYHKSPTZLHO-GUYCJALGSA-N 0 3 405.545 4.191 20 5 HIBDHN COc1cc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1[N+](=O)[O-] ZINC000489976000 903707752 /nfs/dbraw/zinc/70/77/52/903707752.db2.gz FCAKPBYDIRNJTE-MRXNPFEDSA-N 0 3 412.421 4.172 20 5 HIBDHN O=[N+]([O-])c1cccc([C@H](NCCCn2cc(Br)cn2)c2ccccc2)c1 ZINC000490436967 904009053 /nfs/dbraw/zinc/00/90/53/904009053.db2.gz UCLJQJCDURQAAV-LJQANCHMSA-N 0 3 415.291 4.323 20 5 HIBDHN COc1cc(CNCC2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491037108 904389475 /nfs/dbraw/zinc/38/94/75/904389475.db2.gz NFZZTUFSKWIDFU-UHFFFAOYSA-N 0 3 410.392 4.208 20 5 HIBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506147097 914824373 /nfs/dbraw/zinc/82/43/73/914824373.db2.gz HFDSPYXPSPGVOC-CQSZACIVSA-N 0 3 405.380 4.036 20 5 HIBDHN O=C(Nc1ccccc1O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506154228 914827007 /nfs/dbraw/zinc/82/70/07/914827007.db2.gz XNBXSJJWUWVGBB-UHFFFAOYSA-N 0 3 421.453 4.411 20 5 HIBDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000491504147 904627615 /nfs/dbraw/zinc/62/76/15/904627615.db2.gz WTMGNVNJJUNHBE-UHFFFAOYSA-N 0 3 422.432 4.100 20 5 HIBDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000492939017 904960544 /nfs/dbraw/zinc/96/05/44/904960544.db2.gz XNDHLUSZQTYLJJ-FQEVSTJZSA-N 0 3 420.460 4.098 20 5 HIBDHN CN(C)C(=O)c1cccc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493011880 904988904 /nfs/dbraw/zinc/98/89/04/904988904.db2.gz WJKKDCHQXCLLOE-QHCPKHFHSA-N 0 3 403.482 4.218 20 5 HIBDHN COc1cc(CNC[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000493705744 905200100 /nfs/dbraw/zinc/20/01/00/905200100.db2.gz IXFVXHRFYFBHIJ-LLVKDONJSA-N 0 3 416.371 4.419 20 5 HIBDHN C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494070120 905408511 /nfs/dbraw/zinc/40/85/11/905408511.db2.gz VBPJHBIAJVOUHC-GUYCJALGSA-N 0 3 407.392 4.006 20 5 HIBDHN C[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000494182112 905517345 /nfs/dbraw/zinc/51/73/45/905517345.db2.gz HOSUYMAAIOJXDM-FQEVSTJZSA-N 0 3 421.419 4.398 20 5 HIBDHN COc1cccc(NC(=O)C[C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494519576 905809744 /nfs/dbraw/zinc/80/97/44/905809744.db2.gz BYRCOYJMGHUNLM-LBPRGKRZSA-N 0 3 411.380 4.129 20 5 HIBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000495357189 906398510 /nfs/dbraw/zinc/39/85/10/906398510.db2.gz FZOZHCBINQDGGZ-GOSISDBHSA-N 0 3 410.392 4.018 20 5 HIBDHN CC(C)N1CCN(c2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000495365438 906407604 /nfs/dbraw/zinc/40/76/04/906407604.db2.gz FQCDARADZJVMOF-UHFFFAOYSA-N 0 3 410.518 4.042 20 5 HIBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000496228168 906634057 /nfs/dbraw/zinc/63/40/57/906634057.db2.gz XINDGWYIMAUMNL-FQEVSTJZSA-N 0 3 424.545 4.414 20 5 HIBDHN O=C(Nc1ccc(O)cc1)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000512600391 921255756 /nfs/dbraw/zinc/25/57/56/921255756.db2.gz UVQMYKDTRGFOTC-UHFFFAOYSA-N 0 3 421.453 4.411 20 5 HIBDHN CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000500032016 909488762 /nfs/dbraw/zinc/48/87/62/909488762.db2.gz FBUVMVWMHMVLKB-UHFFFAOYSA-N 0 3 424.545 4.066 20 5 HIBDHN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCN1Cc1ccccc1 ZINC000501607168 910710822 /nfs/dbraw/zinc/71/08/22/910710822.db2.gz ZNZPXDLNMVLIQB-HXUWFJFHSA-N 0 3 421.419 4.398 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513204296 921621271 /nfs/dbraw/zinc/62/12/71/921621271.db2.gz PSNGIMXNZIWMLE-UHFFFAOYSA-N 0 3 407.873 4.150 20 5 HIBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513227855 921641751 /nfs/dbraw/zinc/64/17/51/921641751.db2.gz RWLHHCSPYMJCSZ-IBGZPJMESA-N 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Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c(C)c1 ZINC000026644945 847180178 /nfs/dbraw/zinc/18/01/78/847180178.db2.gz FUSMAQQRJKBLCR-UHFFFAOYSA-N 0 3 423.513 4.444 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061192343 851313909 /nfs/dbraw/zinc/31/39/09/851313909.db2.gz BDDPLXZXGZBQFP-UHFFFAOYSA-N 0 3 424.545 4.176 20 5 HIBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000065937093 852325063 /nfs/dbraw/zinc/32/50/63/852325063.db2.gz CDIUZUBDNGWTLA-HNNXBMFYSA-N 0 3 421.950 4.319 20 5 HIBDHN CCc1cc(NC[C@@H](c2ccco2)N2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108851305 852885933 /nfs/dbraw/zinc/88/59/33/852885933.db2.gz ZVVJCMQHLVEKNJ-IBGZPJMESA-N 0 3 407.474 4.456 20 5 HIBDHN COc1ccccc1N1CC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237122702 853967664 /nfs/dbraw/zinc/96/76/64/853967664.db2.gz OKTZEHBAFSJHBI-MRXNPFEDSA-N 0 3 424.526 4.343 20 5 HIBDHN COc1ccc(-c2ccc(CNCCc3nnc(-c4ccccc4)o3)o2)c([N+](=O)[O-])c1 ZINC000237416266 854027686 /nfs/dbraw/zinc/02/76/86/854027686.db2.gz ZLEOJQMIUUEMSD-UHFFFAOYSA-N 0 3 420.425 4.246 20 5 HIBDHN Cc1ccc(Br)cc1NC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000237789000 854097937 /nfs/dbraw/zinc/09/79/37/854097937.db2.gz LMDFZULYMQRGED-UHFFFAOYSA-N 0 3 406.280 4.093 20 5 HIBDHN O=C(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NCc1ccccc1 ZINC000237814668 854102388 /nfs/dbraw/zinc/10/23/88/854102388.db2.gz RZKZSVUWENFBPZ-UHFFFAOYSA-N 0 3 413.861 4.304 20 5 HIBDHN O=[N+]([O-])c1ccccc1CNCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000237937276 854121759 /nfs/dbraw/zinc/12/17/59/854121759.db2.gz ITGAFCZKSIRQRO-UHFFFAOYSA-N 0 3 416.525 4.207 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(CN3CCOCC3)c2)s1 ZINC000237962890 854126161 /nfs/dbraw/zinc/12/61/61/854126161.db2.gz VGHDFKCTZVEWEX-UHFFFAOYSA-N 0 3 423.538 4.445 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCCN(Cc4ccccc4)C3)cs2)c1 ZINC000238009859 854132714 /nfs/dbraw/zinc/13/27/14/854132714.db2.gz KQYGPIFWNZQWDE-LJQANCHMSA-N 0 3 408.527 4.473 20 5 HIBDHN CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000303963332 855324287 /nfs/dbraw/zinc/32/42/87/855324287.db2.gz XKCXUPGWJMVVIJ-INIZCTEOSA-N 0 3 403.866 4.207 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000429861600 857915186 /nfs/dbraw/zinc/91/51/86/857915186.db2.gz WXMSHJVIXKELFF-NRFANRHFSA-N 0 3 413.518 4.080 20 5 HIBDHN C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000467700758 881496148 /nfs/dbraw/zinc/49/61/48/881496148.db2.gz NOODGPZGMGPWSC-BBRMVZONSA-N 0 3 407.392 4.006 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCCN(Cc4ccccc4)CC3)cs2)c1 ZINC000435773484 861048210 /nfs/dbraw/zinc/04/82/10/861048210.db2.gz LLDUXIPPFYGHHP-UHFFFAOYSA-N 0 3 408.527 4.426 20 5 HIBDHN CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000438552370 863982366 /nfs/dbraw/zinc/98/23/66/863982366.db2.gz HULUFQBOYNNEMK-UHFFFAOYSA-N 0 3 406.866 4.014 20 5 HIBDHN Cc1ccc(Br)cc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000438913109 864392685 /nfs/dbraw/zinc/39/26/85/864392685.db2.gz XVPFOHMHPCIZDZ-UHFFFAOYSA-N 0 3 415.291 4.356 20 5 HIBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000443859126 868392048 /nfs/dbraw/zinc/39/20/48/868392048.db2.gz WVCDUWRVSCXWBP-HNNXBMFYSA-N 0 3 405.376 4.238 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC000443950515 868486912 /nfs/dbraw/zinc/48/69/12/868486912.db2.gz VIZMDJFHYRHQGL-UHFFFAOYSA-N 0 3 411.506 4.306 20 5 HIBDHN C[C@H](Cc1ccc(Br)c(F)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837037 870754750 /nfs/dbraw/zinc/75/47/50/870754750.db2.gz UTTLGNBPLUNLGB-SNVBAGLBSA-N 0 3 407.243 4.094 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000462621718 875733238 /nfs/dbraw/zinc/73/32/38/875733238.db2.gz RZDKCRBPAVSZKU-SIKLNZKXSA-N 0 3 409.530 4.287 20 5 HIBDHN COc1cc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000462925852 875955581 /nfs/dbraw/zinc/95/55/81/875955581.db2.gz PRHKJOHUBJLCKZ-UHFFFAOYSA-N 0 3 409.408 4.335 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000463281622 876337297 /nfs/dbraw/zinc/33/72/97/876337297.db2.gz VWTBFIOKUQATMD-AVRDEDQJSA-N 0 3 410.518 4.035 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000470170045 884448061 /nfs/dbraw/zinc/44/80/61/884448061.db2.gz NRMWGKLQYFRBST-RVDMUPIBSA-N 0 3 414.893 4.397 20 5 HIBDHN CO[C@@H]1CC[C@H](N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564363 886272593 /nfs/dbraw/zinc/27/25/93/886272593.db2.gz SRBPQSHOFGQJQJ-ZSZQSSIHSA-N 0 3 403.866 4.085 20 5 HIBDHN COc1cccc(C=C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000473028543 887851907 /nfs/dbraw/zinc/85/19/07/887851907.db2.gz ZMYMWWNNCLKFMZ-UHFFFAOYSA-N 0 3 409.486 4.420 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003905 888862683 /nfs/dbraw/zinc/86/26/83/888862683.db2.gz ZPSBQFMWNLZGIK-JPYJTQIMSA-N 0 3 412.486 4.196 20 5 HIBDHN COc1ccc([C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N2CCCC2)cc1 ZINC000475547001 890472538 /nfs/dbraw/zinc/47/25/38/890472538.db2.gz MPIRSWRZGUNFNO-NRFANRHFSA-N 0 3 412.490 4.179 20 5 HIBDHN C[C@H](O)[C@@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000480459192 895845084 /nfs/dbraw/zinc/84/50/84/895845084.db2.gz HFHSMTUFQWDLAJ-KSFYIVLOSA-N 0 3 411.527 4.438 20 5 HIBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000482398206 897936290 /nfs/dbraw/zinc/93/62/90/897936290.db2.gz ASYDVLLEELUBEM-UHFFFAOYSA-N 0 3 413.499 4.022 20 5 HIBDHN Cc1c([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534671 898121115 /nfs/dbraw/zinc/12/11/15/898121115.db2.gz JUFCDYBTENLLPE-IAGOWNOFSA-N 0 3 400.498 4.206 20 5 HIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000482596731 898198627 /nfs/dbraw/zinc/19/86/27/898198627.db2.gz HHGQKUFAUKLEEV-UHFFFAOYSA-N 0 3 410.518 4.453 20 5 HIBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488150077 902643329 /nfs/dbraw/zinc/64/33/29/902643329.db2.gz ZMXSVZTZELBMLV-MJGOQNOKSA-N 0 3 411.527 4.445 20 5 HIBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027018 903131058 /nfs/dbraw/zinc/13/10/58/903131058.db2.gz KYIGCMWVPOKLHJ-YWZLYKJASA-N 0 3 417.481 4.453 20 5 HIBDHN C[C@H](N[C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489039796 903145733 /nfs/dbraw/zinc/14/57/33/903145733.db2.gz SZTIOLFQGAIENA-IFXJQAMLSA-N 0 3 403.454 4.144 20 5 HIBDHN COc1ccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000490050653 903744503 /nfs/dbraw/zinc/74/45/03/903744503.db2.gz RAEYXCKKPHXNRE-UHFFFAOYSA-N 0 3 403.866 4.250 20 5 HIBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000490490956 904044286 /nfs/dbraw/zinc/04/42/86/904044286.db2.gz IOFFKQMAGSSZNR-IBGZPJMESA-N 0 3 403.910 4.479 20 5 HIBDHN O=C(c1ccco1)N1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491388261 904572278 /nfs/dbraw/zinc/57/22/78/904572278.db2.gz ZPPZROTWPJHKPW-QFIPXVFZSA-N 0 3 405.454 4.172 20 5 HIBDHN COc1cc(CNCCc2cc3ccccc3o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493767717 905216530 /nfs/dbraw/zinc/21/65/30/905216530.db2.gz UKJQFPTUEURGJI-UHFFFAOYSA-N 0 3 406.385 4.326 20 5 HIBDHN O=C(NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000494052059 905392197 /nfs/dbraw/zinc/39/21/97/905392197.db2.gz ZWLGWEVQRMPCGD-JOCHJYFZSA-N 0 3 407.445 4.233 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294829 914889959 /nfs/dbraw/zinc/88/99/59/914889959.db2.gz LHRWXYSQLIRCEY-UKRRQHHQSA-N 0 3 420.416 4.153 20 5 HIBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)cc1 ZINC000506787240 915512401 /nfs/dbraw/zinc/51/24/01/915512401.db2.gz BMPOCUBTDBAKRC-UHFFFAOYSA-N 0 3 415.291 4.390 20 5 HIBDHN C[C@@H]1COCC[C@@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266691 916028951 /nfs/dbraw/zinc/02/89/51/916028951.db2.gz KDQQTNOLQJYBFM-KKVAFCGZSA-N 0 3 417.893 4.190 20 5 HIBDHN Cc1ccc(CNCc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000507861942 916694944 /nfs/dbraw/zinc/69/49/44/916694944.db2.gz SUYZVVSHUJTWOJ-UHFFFAOYSA-N 0 3 413.481 4.500 20 5 HIBDHN Cc1ccc(NC(=O)C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)nc1 ZINC000507987060 916830112 /nfs/dbraw/zinc/83/01/12/916830112.db2.gz RXIRELLIPFESFS-UHFFFAOYSA-N 0 3 420.469 4.409 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000509763164 918377150 /nfs/dbraw/zinc/37/71/50/918377150.db2.gz QISNAHJCHUEFRH-GHTZIAJQSA-N 0 3 410.518 4.350 20 5 HIBDHN O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509961935 918552114 /nfs/dbraw/zinc/55/21/14/918552114.db2.gz AILBEWFDJUMSDW-QGZVFWFLSA-N 0 3 406.442 4.251 20 5 HIBDHN CCN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C[C@@H]1CCCO1 ZINC000511539497 920162140 /nfs/dbraw/zinc/16/21/40/920162140.db2.gz FCMZVTBOPWMVGX-FQEVSTJZSA-N 0 3 400.475 4.183 20 5 HIBDHN CN(C(=O)CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511556927 920192986 /nfs/dbraw/zinc/19/29/86/920192986.db2.gz RYRBHRNAIHNUHJ-IBGZPJMESA-N 0 3 423.391 4.197 20 5 HIBDHN COc1ccc(OCCN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000512184919 920928649 /nfs/dbraw/zinc/92/86/49/920928649.db2.gz IUPSSSFTXCIPJR-INIZCTEOSA-N 0 3 415.273 4.002 20 5 HIBDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000525405143 930222583 /nfs/dbraw/zinc/22/25/83/930222583.db2.gz XHIWTECYIGOLNE-UHFFFAOYSA-N 0 3 414.893 4.278 20 5 HIBDHN COc1ccc(CSCc2nc(-c3ccc(CN(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000530632700 930780314 /nfs/dbraw/zinc/78/03/14/930780314.db2.gz CVQIQKRQSNRPCB-UHFFFAOYSA-N 0 3 414.487 4.148 20 5 HIBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000531110169 930923373 /nfs/dbraw/zinc/92/33/73/930923373.db2.gz LEPLUHQRLKVQHS-LBPRGKRZSA-N 0 3 402.838 4.500 20 5 HIBDHN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531727963 931175081 /nfs/dbraw/zinc/17/50/81/931175081.db2.gz HRSSPAZJCMGATN-CQSZACIVSA-N 0 3 411.483 4.038 20 5 HIBDHN CCC[C@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531951789 931260674 /nfs/dbraw/zinc/26/06/74/931260674.db2.gz CBGAJOLPADWVII-NRFANRHFSA-N 0 3 419.547 4.054 20 5 HIBDHN COc1ccc(CN[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532615619 931555054 /nfs/dbraw/zinc/55/50/54/931555054.db2.gz FSLYURFLUGDKDL-KSFYIVLOSA-N 0 3 400.475 4.018 20 5 HIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533369252 931850701 /nfs/dbraw/zinc/85/07/01/931850701.db2.gz GYXBNIXCTQYQQT-INIZCTEOSA-N 0 3 412.421 4.042 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000533427470 931865861 /nfs/dbraw/zinc/86/58/61/931865861.db2.gz SWHPWJFYPZKCGQ-BTYIYWSLSA-N 0 3 415.515 4.111 20 5 HIBDHN C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562925877 945153589 /nfs/dbraw/zinc/15/35/89/945153589.db2.gz GMUKNOOSCLWBLU-LPHOPBHVSA-N 0 3 401.532 4.349 20 5 HIBDHN Cn1cc(CN2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537658959 938348521 /nfs/dbraw/zinc/34/85/21/938348521.db2.gz HYDJKIKSKCNPGQ-QHCPKHFHSA-N 0 3 420.513 4.219 20 5 HIBDHN Cc1ccc(Br)cc1NC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537978817 938445864 /nfs/dbraw/zinc/44/58/64/938445864.db2.gz HWMLSUWYTMGLHN-CYBMUJFWSA-N 0 3 406.280 4.345 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ccc(F)cc1F)C(C)C ZINC000538224412 938564397 /nfs/dbraw/zinc/56/43/97/938564397.db2.gz AWBILSXNYFSOLM-FQEVSTJZSA-N 0 3 407.417 4.197 20 5 HIBDHN CC[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091573 938801348 /nfs/dbraw/zinc/80/13/48/938801348.db2.gz WWXXSVNFGOMWET-YVHKJVDXSA-N 0 3 411.502 4.085 20 5 HIBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)cc1 ZINC000539243407 938824512 /nfs/dbraw/zinc/82/45/12/938824512.db2.gz MAJINMRHCJFGEX-INIZCTEOSA-N 0 3 422.279 4.045 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(OC[C@H]4CCCCO4)CC3)o2)c1 ZINC000539825945 938947648 /nfs/dbraw/zinc/94/76/48/938947648.db2.gz YWQYJKDDFRNAEW-OAQYLSRUSA-N 0 3 400.475 4.405 20 5 HIBDHN Cc1c([C@H](C)NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000540191680 939117713 /nfs/dbraw/zinc/11/77/13/939117713.db2.gz QBYKFKGSAZPKGS-JZXOWHBKSA-N 0 3 411.502 4.003 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000540520478 939285339 /nfs/dbraw/zinc/28/53/39/939285339.db2.gz QQZCJAUOJRIGFZ-CBLJQSSYSA-N 0 3 403.866 4.182 20 5 HIBDHN C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541584877 939560796 /nfs/dbraw/zinc/56/07/96/939560796.db2.gz AQYYVYXKVUKUHH-DNVCBOLYSA-N 0 3 419.522 4.488 20 5 HIBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000542918027 939877377 /nfs/dbraw/zinc/87/73/77/939877377.db2.gz VBPVRRQOIXUOPO-WMZOPIPTSA-N 0 3 406.523 4.277 20 5 HIBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000542918026 939877514 /nfs/dbraw/zinc/87/75/14/939877514.db2.gz VBPVRRQOIXUOPO-SJLPKXTDSA-N 0 3 406.523 4.277 20 5 HIBDHN COc1cc(CN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626252 940493435 /nfs/dbraw/zinc/49/34/35/940493435.db2.gz OEWGPVLEWLFTKT-PKOBYXMFSA-N 0 3 404.438 4.103 20 5 HIBDHN CN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000549687620 941204576 /nfs/dbraw/zinc/20/45/76/941204576.db2.gz MBUIJCFRSJCHPM-ZWKOTPCHSA-N 0 3 415.362 4.427 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549942197 941243821 /nfs/dbraw/zinc/24/38/21/941243821.db2.gz RAWVJFVSSBICFB-ZFWWWQNUSA-N 0 3 407.392 4.179 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2nc(CNC3(Cc4ccc(F)cc4)CCOCC3)co2)cc1 ZINC000550188880 941296130 /nfs/dbraw/zinc/29/61/30/941296130.db2.gz GFXVHFYOTPOPPQ-UHFFFAOYSA-N 0 3 411.433 4.270 20 5 HIBDHN COc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039944 941399354 /nfs/dbraw/zinc/39/93/54/941399354.db2.gz QIRVPZYWGODMCQ-UXLLHSPISA-N 0 3 414.449 4.110 20 5 HIBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058126 941575484 /nfs/dbraw/zinc/57/54/84/941575484.db2.gz WOHKCALJMFRVID-ZAAXVRCTSA-N 0 3 417.893 4.128 20 5 HIBDHN COc1cccc([C@@H]2[C@@H](NCc3ccc(Cl)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000555127455 942394143 /nfs/dbraw/zinc/39/41/43/942394143.db2.gz CZFRFIBPMIJHQM-PZJWPPBQSA-N 0 3 401.894 4.324 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(Br)cc1F ZINC000558466146 943566419 /nfs/dbraw/zinc/56/64/19/943566419.db2.gz KPEZZXDBUPSDCS-LBPRGKRZSA-N 0 3 424.270 4.484 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)cs2)c1 ZINC000560680599 944292390 /nfs/dbraw/zinc/29/23/90/944292390.db2.gz LMTDSIRRTCEALG-HNNXBMFYSA-N 0 3 410.503 4.093 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cs2)c1 ZINC000560680599 944292398 /nfs/dbraw/zinc/29/23/98/944292398.db2.gz LMTDSIRRTCEALG-HNNXBMFYSA-N 0 3 410.503 4.093 20 5 HIBDHN C[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)cc1F ZINC000561782786 944794824 /nfs/dbraw/zinc/79/48/24/944794824.db2.gz QVFHUZKYFWRHBU-SNVBAGLBSA-N 0 3 407.243 4.266 20 5 HIBDHN Cc1cc(C(C)(C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000562057874 944916647 /nfs/dbraw/zinc/91/66/47/944916647.db2.gz GQJJXJAQLQKRPR-UHFFFAOYSA-N 0 3 420.307 4.153 20 5 HIBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000575636628 948685430 /nfs/dbraw/zinc/68/54/30/948685430.db2.gz LXBFDJWENJUUAE-OAHLLOKOSA-N 0 3 423.435 4.308 20 5 HIBDHN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164619228 719056317 /nfs/dbraw/zinc/05/63/17/719056317.db2.gz CBNROVCGSUFVBK-YJBOKZPZSA-N 0 3 422.863 4.289 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019538761 846367639 /nfs/dbraw/zinc/36/76/39/846367639.db2.gz NGGGSJVFJPWAHG-NRFANRHFSA-N 0 3 405.454 4.116 20 5 HIBDHN CN(C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000025419569 846975310 /nfs/dbraw/zinc/97/53/10/846975310.db2.gz RPQSJSYOGIJUMO-QHCPKHFHSA-N 0 3 418.497 4.240 20 5 HIBDHN Cc1c(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cccc1[N+](=O)[O-] ZINC000053039012 849657383 /nfs/dbraw/zinc/65/73/83/849657383.db2.gz YLNWPELZYIZWMN-UHFFFAOYSA-N 0 3 403.866 4.113 20 5 HIBDHN O=[N+]([O-])c1cc(NC(=S)NC2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000063142886 851620164 /nfs/dbraw/zinc/62/01/64/851620164.db2.gz DRGWPIJMGLOMAN-UHFFFAOYSA-N 0 3 404.923 4.199 20 5 HIBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000109499243 852978260 /nfs/dbraw/zinc/97/82/60/852978260.db2.gz LORHVOQEXLHZOX-UHFFFAOYSA-N 0 3 405.907 4.092 20 5 HIBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109528619 852980661 /nfs/dbraw/zinc/98/06/61/852980661.db2.gz VYZXHINYZPXOMQ-UHFFFAOYSA-N 0 3 405.907 4.092 20 5 HIBDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000150248851 853641642 /nfs/dbraw/zinc/64/16/42/853641642.db2.gz XKNRGRAPBKVMHI-FQEVSTJZSA-N 0 3 413.474 4.086 20 5 HIBDHN COc1cc(CNCCc2nc(C3CCCCC3)cs2)c([N+](=O)[O-])cc1OC ZINC000237416576 854027590 /nfs/dbraw/zinc/02/75/90/854027590.db2.gz CWXGGSKLDUEXRR-UHFFFAOYSA-N 0 3 405.520 4.449 20 5 HIBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301790960 854465492 /nfs/dbraw/zinc/46/54/92/854465492.db2.gz NWWCKAPVNXGRFZ-CYBMUJFWSA-N 0 3 405.296 4.390 20 5 HIBDHN Cc1c(Br)c(NC2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000310586609 855366582 /nfs/dbraw/zinc/36/65/82/855366582.db2.gz ADVIPVZCMZKVHO-UHFFFAOYSA-N 0 3 405.296 4.137 20 5 HIBDHN CN(C)Cc1ccc(-c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 ZINC000430993634 858396743 /nfs/dbraw/zinc/39/67/43/858396743.db2.gz YWGKYOUZKZJSRB-UHFFFAOYSA-N 0 3 403.236 4.136 20 5 HIBDHN CC[C@H]1CN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CCCO1 ZINC000467566465 881389598 /nfs/dbraw/zinc/38/95/98/881389598.db2.gz WZYADEDRTOPERE-FQEVSTJZSA-N 0 3 400.475 4.183 20 5 HIBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000434325569 860287318 /nfs/dbraw/zinc/28/73/18/860287318.db2.gz JDUIJYPTAJLMLB-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(c4ncc5n4CCCC5)CC3)co2)cc1 ZINC000434677563 860456188 /nfs/dbraw/zinc/45/61/88/860456188.db2.gz YSPDCJFEQLZIJN-UHFFFAOYSA-N 0 3 407.474 4.162 20 5 HIBDHN CCc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435381617 860777677 /nfs/dbraw/zinc/77/76/77/860777677.db2.gz VBNDCPVFEXKJJU-FQEVSTJZSA-N 0 3 419.485 4.053 20 5 HIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000467937943 881809816 /nfs/dbraw/zinc/80/98/16/881809816.db2.gz KICJEOFDEWZROL-UHFFFAOYSA-N 0 3 414.428 4.138 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000439906485 865216155 /nfs/dbraw/zinc/21/61/55/865216155.db2.gz YPEIRARKUSUGIR-QGZVFWFLSA-N 0 3 412.490 4.122 20 5 HIBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000446838043 870756410 /nfs/dbraw/zinc/75/64/10/870756410.db2.gz DLCRRKAUACYAIC-LJQANCHMSA-N 0 3 405.502 4.476 20 5 HIBDHN COCCOc1ccc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530073 871394990 /nfs/dbraw/zinc/39/49/90/871394990.db2.gz NDSLVARWRYMRRC-YWZLYKJASA-N 0 3 400.475 4.357 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1CCSC1)c1ccccc1 ZINC000447797849 871734973 /nfs/dbraw/zinc/73/49/73/871734973.db2.gz OIOUPSIZPVGDTM-FZKQIMNGSA-N 0 3 405.907 4.271 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1CCSC1)c1ccccc1 ZINC000447797850 871735141 /nfs/dbraw/zinc/73/51/41/871735141.db2.gz OIOUPSIZPVGDTM-SCLBCKFNSA-N 0 3 405.907 4.271 20 5 HIBDHN COc1cc(Br)c(CNCCCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000462766644 875827535 /nfs/dbraw/zinc/82/75/35/875827535.db2.gz VOQSJFSMWOWEPY-UHFFFAOYSA-N 0 3 423.307 4.487 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732518 877969704 /nfs/dbraw/zinc/96/97/04/877969704.db2.gz HKSVKILURLTFTM-HOCLYGCPSA-N 0 3 401.429 4.169 20 5 HIBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000503495399 912543598 /nfs/dbraw/zinc/54/35/98/912543598.db2.gz PIBGUJHRYZREON-GOSISDBHSA-N 0 3 417.893 4.081 20 5 HIBDHN COc1cc(Br)ccc1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469757566 883921840 /nfs/dbraw/zinc/92/18/40/883921840.db2.gz SCRSJFSHCHQXLB-GFCCVEGCSA-N 0 3 422.279 4.045 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003906 888862897 /nfs/dbraw/zinc/86/28/97/888862897.db2.gz ZPSBQFMWNLZGIK-MBSDFSHPSA-N 0 3 412.486 4.196 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2ccccc2C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474353989 889232694 /nfs/dbraw/zinc/23/26/94/889232694.db2.gz OBPXKTLDIPMQIK-NRFANRHFSA-N 0 3 400.475 4.332 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000474373463 889250936 /nfs/dbraw/zinc/25/09/36/889250936.db2.gz QLLFUEYNGCPZGH-FQEVSTJZSA-N 0 3 406.866 4.287 20 5 HIBDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066020 891999487 /nfs/dbraw/zinc/99/94/87/891999487.db2.gz MTFDOEGCOZCPGW-WNNBVUDTSA-N 0 3 413.499 4.223 20 5 HIBDHN Cc1c(CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000477723955 892827098 /nfs/dbraw/zinc/82/70/98/892827098.db2.gz KMYAQNYGMGJGQH-LBPRGKRZSA-N 0 3 406.280 4.173 20 5 HIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696971 896058436 /nfs/dbraw/zinc/05/84/36/896058436.db2.gz JWQDAEXUIPAZHG-IRXDYDNUSA-N 0 3 422.572 4.226 20 5 HIBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(N2CCN(C(C)C)CC2)c1 ZINC000482023688 897428440 /nfs/dbraw/zinc/42/84/40/897428440.db2.gz BJENXWSYTRDQTO-UHFFFAOYSA-N 0 3 416.909 4.339 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(c4nnc5n4CCCC5)CC3)o2)c1 ZINC000482505869 898087794 /nfs/dbraw/zinc/08/77/94/898087794.db2.gz ILIQSWCNNZERJX-UHFFFAOYSA-N 0 3 407.474 4.162 20 5 HIBDHN Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000505632658 914332719 /nfs/dbraw/zinc/33/27/19/914332719.db2.gz JXAJITKVOMWTNR-UHFFFAOYSA-N 0 3 410.518 4.453 20 5 HIBDHN COc1cc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000484284857 899852121 /nfs/dbraw/zinc/85/21/21/899852121.db2.gz PWZGOLJYAJAFBD-UHFFFAOYSA-N 0 3 415.515 4.066 20 5 HIBDHN Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(Br)cc1[N+](=O)[O-] ZINC000486014688 901222968 /nfs/dbraw/zinc/22/29/68/901222968.db2.gz YMBJCHXSPSWOKS-KXBFYZLASA-N 0 3 419.323 4.190 20 5 HIBDHN COc1cc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)ccc1[N+](=O)[O-] ZINC000486832239 901882938 /nfs/dbraw/zinc/88/29/38/901882938.db2.gz GDLKGIKOZFHKOL-WZONZLPQSA-N 0 3 420.469 4.207 20 5 HIBDHN CC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489917240 903674068 /nfs/dbraw/zinc/67/40/68/903674068.db2.gz WVGABZRDHMMGIM-ROUUACIJSA-N 0 3 402.520 4.244 20 5 HIBDHN C[C@H](OC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830270 904273550 /nfs/dbraw/zinc/27/35/50/904273550.db2.gz WNSNEIVCVFASNW-YCRPNKLZSA-N 0 3 404.894 4.351 20 5 HIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309890 904528968 /nfs/dbraw/zinc/52/89/68/904528968.db2.gz ZPSKCJGTLSGLAF-FYYLOGMGSA-N 0 3 423.538 4.409 20 5 HIBDHN CC[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000492934821 904953849 /nfs/dbraw/zinc/95/38/49/904953849.db2.gz BNWDIBKCWAYYTN-XMSQKQJNSA-N 0 3 410.518 4.352 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000493109196 905022802 /nfs/dbraw/zinc/02/28/02/905022802.db2.gz ZESFHTIAIAKCQL-MRXNPFEDSA-N 0 3 418.925 4.391 20 5 HIBDHN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601416 905171095 /nfs/dbraw/zinc/17/10/95/905171095.db2.gz HDMJQSKLANLACJ-ZWKOTPCHSA-N 0 3 414.449 4.075 20 5 HIBDHN CCc1cc(N2CCC[C@@H](N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037368 905377672 /nfs/dbraw/zinc/37/76/72/905377672.db2.gz GTAMRPWTIDMUCI-QPPBQGQZSA-N 0 3 417.513 4.295 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494077271 905414991 /nfs/dbraw/zinc/41/49/91/905414991.db2.gz GUHIAOISCHUCFC-JXFKEZNVSA-N 0 3 413.543 4.488 20 5 HIBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccnc(Oc2ccccc2F)c1 ZINC000494495219 905782397 /nfs/dbraw/zinc/78/23/97/905782397.db2.gz MPNDEFUNTRGOJG-HNNXBMFYSA-N 0 3 424.432 4.428 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497705861 907210626 /nfs/dbraw/zinc/21/06/26/907210626.db2.gz JNJKWODTBAFQCG-HXUWFJFHSA-N 0 3 422.510 4.285 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497705876 907210715 /nfs/dbraw/zinc/21/07/15/907210715.db2.gz JSBIUJRDYPDGGL-HXUWFJFHSA-N 0 3 422.510 4.285 20 5 HIBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497730202 907228594 /nfs/dbraw/zinc/22/85/94/907228594.db2.gz OIHCOXDSICPGAQ-IBGZPJMESA-N 0 3 422.510 4.285 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)cc1 ZINC000499170985 908523410 /nfs/dbraw/zinc/52/34/10/908523410.db2.gz YXNCVRRBTQSFCX-LJQANCHMSA-N 0 3 410.499 4.059 20 5 HIBDHN CC(C)N(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000507168007 915910048 /nfs/dbraw/zinc/91/00/48/915910048.db2.gz AFTKEDGMIDWCHS-UHFFFAOYSA-N 0 3 408.458 4.167 20 5 HIBDHN COc1ccc(CN(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)cc1[N+](=O)[O-] ZINC000510426390 918890838 /nfs/dbraw/zinc/89/08/38/918890838.db2.gz DXMICRTZPMZUNY-UHFFFAOYSA-N 0 3 412.465 4.208 20 5 HIBDHN CCN(CCC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000511520495 920138457 /nfs/dbraw/zinc/13/84/57/920138457.db2.gz DBEPOQDUTNJXHH-UHFFFAOYSA-N 0 3 411.252 4.002 20 5 HIBDHN CC(=O)NCC1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000511639822 920302646 /nfs/dbraw/zinc/30/26/46/920302646.db2.gz JCEQRGIKOPXIGX-UHFFFAOYSA-N 0 3 417.893 4.389 20 5 HIBDHN Cc1c(NC(=O)CCN2CCCN(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000514971869 922860063 /nfs/dbraw/zinc/86/00/63/922860063.db2.gz FVJQEPMBHDCILP-UHFFFAOYSA-N 0 3 416.909 4.098 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528755 923157708 /nfs/dbraw/zinc/15/77/08/923157708.db2.gz NAFVTZMYQOTRPR-KKSFZXQISA-N 0 3 414.506 4.047 20 5 HIBDHN CN(C)CCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000521183178 929048503 /nfs/dbraw/zinc/04/85/03/929048503.db2.gz PXIJJZPHOLZKLY-UHFFFAOYSA-N 0 3 418.497 4.415 20 5 HIBDHN C[C@@H]1C[C@H]1c1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000532893998 931682760 /nfs/dbraw/zinc/68/27/60/931682760.db2.gz ULXJSQPGAUUHIK-RDTXWAMCSA-N 0 3 411.458 4.274 20 5 HIBDHN CCOc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513640 931890772 /nfs/dbraw/zinc/89/07/72/931890772.db2.gz MGOKFXJSZIPBET-NRFANRHFSA-N 0 3 401.438 4.202 20 5 HIBDHN CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000534496077 932531273 /nfs/dbraw/zinc/53/12/73/932531273.db2.gz KKZYKDOCEDZHFK-UHFFFAOYSA-N 0 3 408.424 4.152 20 5 HIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000535555977 933240320 /nfs/dbraw/zinc/24/03/20/933240320.db2.gz MUPOUXUJVKOMBH-QFIPXVFZSA-N 0 3 406.486 4.346 20 5 HIBDHN COc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537624150 938337686 /nfs/dbraw/zinc/33/76/86/938337686.db2.gz RVIIEVSMIMMLPZ-UHFFFAOYSA-N 0 3 422.485 4.285 20 5 HIBDHN CCC(CC)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000538179376 938539970 /nfs/dbraw/zinc/53/99/70/938539970.db2.gz HDYLUQTYEQSZRK-IBGZPJMESA-N 0 3 405.476 4.091 20 5 HIBDHN O=[N+]([O-])c1cc(CNC2CCN(Cc3ccc(Br)cc3)CC2)cs1 ZINC000538426786 938617489 /nfs/dbraw/zinc/61/74/89/938617489.db2.gz RDEYHFKFNSIUKB-UHFFFAOYSA-N 0 3 410.337 4.173 20 5 HIBDHN COc1ccc(CN[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125990 938807124 /nfs/dbraw/zinc/80/71/24/938807124.db2.gz KZIHRWCVWLZQRQ-SGTLLEGYSA-N 0 3 409.280 4.232 20 5 HIBDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818881 938942178 /nfs/dbraw/zinc/94/21/78/938942178.db2.gz FLBBLTLXURRTKY-PMACEKPBSA-N 0 3 420.893 4.260 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000540391469 939230361 /nfs/dbraw/zinc/23/03/61/939230361.db2.gz XIWTXTDUMSBATP-MRXNPFEDSA-N 0 3 401.532 4.346 20 5 HIBDHN Cc1ccccc1[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000540591938 939313740 /nfs/dbraw/zinc/31/37/40/939313740.db2.gz LSUMUGQIYQNNMF-IBGZPJMESA-N 0 3 418.291 4.345 20 5 HIBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541056292 939444046 /nfs/dbraw/zinc/44/40/46/939444046.db2.gz HMMITGYICDSYBO-RCCFBDPRSA-N 0 3 406.523 4.277 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000541763445 939624299 /nfs/dbraw/zinc/62/42/99/939624299.db2.gz LHZSEKSWXRKNFO-LJQANCHMSA-N 0 3 419.485 4.258 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000542212907 939759161 /nfs/dbraw/zinc/75/91/61/939759161.db2.gz WEHKEQCTACSTPH-INIZCTEOSA-N 0 3 422.934 4.245 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000542253185 939773502 /nfs/dbraw/zinc/77/35/02/939773502.db2.gz IPQBELGUNNGYPD-GHTZIAJQSA-N 0 3 410.445 4.047 20 5 HIBDHN CC(C)([C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543401471 940052144 /nfs/dbraw/zinc/05/21/44/940052144.db2.gz OXAQPWVMZKMHGX-OAQYLSRUSA-N 0 3 417.456 4.147 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000544069246 940316884 /nfs/dbraw/zinc/31/68/84/940316884.db2.gz LSEVLBQIHYUAET-KRWDZBQOSA-N 0 3 410.392 4.018 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000544611951 940489979 /nfs/dbraw/zinc/48/99/79/940489979.db2.gz ZEEAEJIPERHOHC-UHFFFAOYSA-N 0 3 407.514 4.306 20 5 HIBDHN CCOC(=O)C1CCC(N(CC)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000549187781 941169497 /nfs/dbraw/zinc/16/94/97/941169497.db2.gz UQUWGMXPWBKHHP-UHFFFAOYSA-N 0 3 401.463 4.194 20 5 HIBDHN COc1ccc(NC(=O)CCN(C)Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000550180481 941294695 /nfs/dbraw/zinc/29/46/95/941294695.db2.gz NVVLDDKZYVIHDW-UHFFFAOYSA-N 0 3 412.273 4.371 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000553666262 941939738 /nfs/dbraw/zinc/93/97/38/941939738.db2.gz BKICBBBAMSPAHY-HXUWFJFHSA-N 0 3 417.531 4.137 20 5 HIBDHN CC(C)N(CCN1CCCCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000554097912 942035471 /nfs/dbraw/zinc/03/54/71/942035471.db2.gz HGXJIXPBEMXABU-UHFFFAOYSA-N 0 3 405.542 4.408 20 5 HIBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000556615396 942916924 /nfs/dbraw/zinc/91/69/24/942916924.db2.gz WOTMBYNSFSUPKW-HIFRSBDPSA-N 0 3 407.392 4.006 20 5 HIBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCCc2ccccc21 ZINC000558932150 943754137 /nfs/dbraw/zinc/75/41/37/943754137.db2.gz UDLNTJVBHMXFNN-UHFFFAOYSA-N 0 3 407.495 4.392 20 5 HIBDHN COCC1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000560558124 944254959 /nfs/dbraw/zinc/25/49/59/944254959.db2.gz NXCMYGBVAOXSOY-UHFFFAOYSA-N 0 3 406.866 4.326 20 5 HIBDHN Cn1cc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560611458 944273883 /nfs/dbraw/zinc/27/38/83/944273883.db2.gz BPJUVWGJOCJPOW-HXUWFJFHSA-N 0 3 412.877 4.302 20 5 HIBDHN CSc1ccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000565856050 945895552 /nfs/dbraw/zinc/89/55/52/945895552.db2.gz XHDXSCKSIYWKMI-QGZVFWFLSA-N 0 3 405.545 4.071 20 5 HIBDHN CCC[C@@]1(CO)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000566567148 946041891 /nfs/dbraw/zinc/04/18/91/946041891.db2.gz VZNFLPNMLZKHDB-HSZRJFAPSA-N 0 3 414.502 4.167 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000573018460 948059633 /nfs/dbraw/zinc/05/96/33/948059633.db2.gz OZDIICSMEWMHHA-QYZOEREBSA-N 0 3 404.413 4.201 20 5 HIBDHN C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000574144170 948375527 /nfs/dbraw/zinc/37/55/27/948375527.db2.gz XEHGAADUNHSZOI-CQSZACIVSA-N 0 3 408.545 4.331 20 5 HIBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000575636627 948687029 /nfs/dbraw/zinc/68/70/29/948687029.db2.gz LXBFDJWENJUUAE-HNNXBMFYSA-N 0 3 423.435 4.308 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031987782 847975702 /nfs/dbraw/zinc/97/57/02/847975702.db2.gz CFOAPKKCINSPSI-FQEVSTJZSA-N 0 3 416.547 4.069 20 5 HIBDHN COc1cccc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 ZINC000061012821 851272191 /nfs/dbraw/zinc/27/21/91/851272191.db2.gz ZAALBKTZSLRASR-UHFFFAOYSA-N 0 3 408.454 4.481 20 5 HIBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000061231798 851324428 /nfs/dbraw/zinc/32/44/28/851324428.db2.gz RHCUWMBXGMOSFT-HDICACEKSA-N 0 3 424.545 4.069 20 5 HIBDHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000064918965 852022914 /nfs/dbraw/zinc/02/29/14/852022914.db2.gz TZWJRHCGHBIYOI-GOSISDBHSA-N 0 3 420.494 4.343 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000065121648 852070656 /nfs/dbraw/zinc/07/06/56/852070656.db2.gz VXZHQAHIHCKRQA-HNNXBMFYSA-N 0 3 415.437 4.488 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000065121943 852071825 /nfs/dbraw/zinc/07/18/25/852071825.db2.gz YSGBXUHNWNQGQA-IBGZPJMESA-N 0 3 423.435 4.355 20 5 HIBDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000150249295 853642001 /nfs/dbraw/zinc/64/20/01/853642001.db2.gz KZKXAODURTUKMT-FQEVSTJZSA-N 0 3 413.474 4.086 20 5 HIBDHN CN(C)C(=O)[C@H](Cc1ccccc1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237026342 853953621 /nfs/dbraw/zinc/95/36/21/853953621.db2.gz JYSFHDXOBGFDFE-IBGZPJMESA-N 0 3 409.511 4.112 20 5 HIBDHN CN(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(F)cc1 ZINC000237167060 853975461 /nfs/dbraw/zinc/97/54/61/853975461.db2.gz LHDSYJSOTLRLRP-UHFFFAOYSA-N 0 3 400.479 4.079 20 5 HIBDHN COc1ccc(CNCc2ccc(O)c(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237230077 853986815 /nfs/dbraw/zinc/98/68/15/853986815.db2.gz BJHSTHQTRQVTOS-UHFFFAOYSA-N 0 3 412.417 4.317 20 5 HIBDHN NC(=O)c1ccc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC000237747412 854087514 /nfs/dbraw/zinc/08/75/14/854087514.db2.gz PUNLRPRMSVBTPK-UHFFFAOYSA-N 0 3 411.845 4.429 20 5 HIBDHN Cn1cc(CNCc2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931413 854120764 /nfs/dbraw/zinc/12/07/64/854120764.db2.gz CPKDFDVZPUIOSH-UHFFFAOYSA-N 0 3 401.264 4.048 20 5 HIBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000301687300 854445168 /nfs/dbraw/zinc/44/51/68/854445168.db2.gz MGDUKLBUQVRRNB-GFCCVEGCSA-N 0 3 411.325 4.138 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000303046284 854736927 /nfs/dbraw/zinc/73/69/27/854736927.db2.gz QSXCTGUWNYTDAO-IBGZPJMESA-N 0 3 407.392 4.296 20 5 HIBDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000303540322 855025868 /nfs/dbraw/zinc/02/58/68/855025868.db2.gz JLPFYAHVTDTWMK-GOSISDBHSA-N 0 3 421.501 4.004 20 5 HIBDHN Cc1c(Cc2noc([C@@H]3CN(C(C)(C)C)C[C@H]3C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000426461731 856302552 /nfs/dbraw/zinc/30/25/52/856302552.db2.gz SZUVJLGDSIGBME-ZIAGYGMSSA-N 0 3 412.412 4.253 20 5 HIBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000426563938 856350775 /nfs/dbraw/zinc/35/07/75/856350775.db2.gz ZNHVVRFDCFFMCW-INIZCTEOSA-N 0 3 401.532 4.008 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000427605811 856886110 /nfs/dbraw/zinc/88/61/10/856886110.db2.gz DGFNDIKWRVCYDZ-UHFFFAOYSA-N 0 3 415.515 4.066 20 5 HIBDHN CC[C@@]1(CO)CCCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428459546 857210208 /nfs/dbraw/zinc/21/02/08/857210208.db2.gz MMBKOYQIBZANHQ-HSZRJFAPSA-N 0 3 414.502 4.167 20 5 HIBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435290142 860721448 /nfs/dbraw/zinc/72/14/48/860721448.db2.gz JWUSNPZIPXMMCT-IBGZPJMESA-N 0 3 419.485 4.107 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000437926145 863302910 /nfs/dbraw/zinc/30/29/10/863302910.db2.gz MBKJIFLHAOMSSP-HXUWFJFHSA-N 0 3 416.547 4.413 20 5 HIBDHN Cc1c(CC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000438904829 864384512 /nfs/dbraw/zinc/38/45/12/864384512.db2.gz VFFFOOVDIDINCX-LJQANCHMSA-N 0 3 401.532 4.097 20 5 HIBDHN COc1cc(CNCCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000441206399 866275575 /nfs/dbraw/zinc/27/55/75/866275575.db2.gz VUCDUBZWCIIYLA-UHFFFAOYSA-N 0 3 423.391 4.358 20 5 HIBDHN CCCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441430553 866508255 /nfs/dbraw/zinc/50/82/55/866508255.db2.gz AHKMCWVLUJSBTA-UHFFFAOYSA-N 0 3 410.518 4.182 20 5 HIBDHN COc1cc(CN2CC[C@@H](OC)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073740 867811579 /nfs/dbraw/zinc/81/15/79/867811579.db2.gz WRPQCPSOYGPNCS-OXJNMPFZSA-N 0 3 400.475 4.182 20 5 HIBDHN COc1ccc([C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000443945948 868482316 /nfs/dbraw/zinc/48/23/16/868482316.db2.gz KTUDKMKTZWRIHZ-FQEVSTJZSA-N 0 3 412.490 4.179 20 5 HIBDHN CC(C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(C)CC1 ZINC000444863789 869064689 /nfs/dbraw/zinc/06/46/89/869064689.db2.gz ZPIXEQATHDLPQS-QFIPXVFZSA-N 0 3 405.542 4.168 20 5 HIBDHN CSc1cccc(N(C(=O)CCc2cccc([N+](=O)[O-])c2)C2CCN(C)CC2)c1 ZINC000445802878 869831445 /nfs/dbraw/zinc/83/14/45/869831445.db2.gz OVSDTYROJWVJHA-UHFFFAOYSA-N 0 3 413.543 4.377 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537457 871399043 /nfs/dbraw/zinc/39/90/43/871399043.db2.gz WBWYNQFEGOWSTK-VQTJNVASSA-N 0 3 411.437 4.391 20 5 HIBDHN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543552 871411984 /nfs/dbraw/zinc/41/19/84/871411984.db2.gz RRFLCBAZLXPWOS-ZHRRBRCNSA-N 0 3 412.509 4.214 20 5 HIBDHN COCC[C@H]1CCCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000468697519 882818873 /nfs/dbraw/zinc/81/88/73/882818873.db2.gz SZBOMPXDDZNNLN-CQSZACIVSA-N 0 3 420.428 4.183 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000462991200 876005785 /nfs/dbraw/zinc/00/57/85/876005785.db2.gz UISSVTHXYGFKEW-DENIHFKCSA-N 0 3 409.530 4.287 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738689 877973922 /nfs/dbraw/zinc/97/39/22/877973922.db2.gz SZJNSCXXFKFKCG-GJZGRUSLSA-N 0 3 401.429 4.169 20 5 HIBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000503455870 912480246 /nfs/dbraw/zinc/48/02/46/912480246.db2.gz AKBZTKGHNMZTEO-IBGZPJMESA-N 0 3 423.469 4.173 20 5 HIBDHN CN1CCC(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000466601890 880372095 /nfs/dbraw/zinc/37/20/95/880372095.db2.gz TUKHQRGXQHCYEH-UHFFFAOYSA-N 0 3 405.907 4.223 20 5 HIBDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467236215 880962187 /nfs/dbraw/zinc/96/21/87/880962187.db2.gz DOYLCDDDLRPQAB-UHFFFAOYSA-N 0 3 402.882 4.377 20 5 HIBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC000469561531 883815326 /nfs/dbraw/zinc/81/53/26/883815326.db2.gz CPBFWUBQRQUBQG-GOSISDBHSA-N 0 3 422.407 4.213 20 5 HIBDHN CCS[C@@H]1CCCC[C@@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771925 883947593 /nfs/dbraw/zinc/94/75/93/883947593.db2.gz HMOLHAFEPFFNQN-SUMWQHHRSA-N 0 3 404.479 4.401 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000470184398 884473639 /nfs/dbraw/zinc/47/36/39/884473639.db2.gz SCMSZEHMHPTJHA-SDXDJHTJSA-N 0 3 405.498 4.299 20 5 HIBDHN CO[C@@H]1CC[C@H](N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564360 886273121 /nfs/dbraw/zinc/27/31/21/886273121.db2.gz SRBPQSHOFGQJQJ-GMBSWORKSA-N 0 3 403.866 4.085 20 5 HIBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000472234853 887042450 /nfs/dbraw/zinc/04/24/50/887042450.db2.gz UAAVOGVDFGUHNC-HNNXBMFYSA-N 0 3 411.325 4.113 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ncccc3O)o2)c(Br)c1 ZINC000475355199 890280710 /nfs/dbraw/zinc/28/07/10/890280710.db2.gz JKDFSSGYUAYFAU-UHFFFAOYSA-N 0 3 404.220 4.008 20 5 HIBDHN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1Cc2ccccc2C1 ZINC000475507761 890423642 /nfs/dbraw/zinc/42/36/42/890423642.db2.gz AQPUEEFVXVUDHX-OAHLLOKOSA-N 0 3 407.495 4.344 20 5 HIBDHN CCOc1ccc([C@H](C)NCCC(=O)Nc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000504931492 913672595 /nfs/dbraw/zinc/67/25/95/913672595.db2.gz YISFCURDCUFUMY-ZDUSSCGKSA-N 0 3 421.881 4.335 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 ZINC000479926568 895273623 /nfs/dbraw/zinc/27/36/23/895273623.db2.gz PLZCSCOWGOAABI-CYBMUJFWSA-N 0 3 408.271 4.113 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000481420124 896822720 /nfs/dbraw/zinc/82/27/20/896822720.db2.gz BQRPUXAITNYBOA-HXUWFJFHSA-N 0 3 400.479 4.115 20 5 HIBDHN Cc1c([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534673 898120821 /nfs/dbraw/zinc/12/08/21/898120821.db2.gz JUFCDYBTENLLPE-SJORKVTESA-N 0 3 400.498 4.206 20 5 HIBDHN CSc1cccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000485757903 901014752 /nfs/dbraw/zinc/01/47/52/901014752.db2.gz JXKVTLOMSQRPLB-LJQANCHMSA-N 0 3 413.543 4.129 20 5 HIBDHN C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000487182098 902089959 /nfs/dbraw/zinc/08/99/59/902089959.db2.gz ABGIIQLVFNYQKH-IERDGZPVSA-N 0 3 404.470 4.078 20 5 HIBDHN C[C@@H](N[C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040716 903145532 /nfs/dbraw/zinc/14/55/32/903145532.db2.gz WIZXNWATSCTONC-AUUYWEPGSA-N 0 3 403.454 4.144 20 5 HIBDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490093382 903766971 /nfs/dbraw/zinc/76/69/71/903766971.db2.gz TWUGJKZPVNIJJZ-IBGZPJMESA-N 0 3 405.882 4.205 20 5 HIBDHN COc1cc(CN(C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490550582 904094993 /nfs/dbraw/zinc/09/49/93/904094993.db2.gz WZLVHIBVMXQBSG-INIZCTEOSA-N 0 3 414.449 4.171 20 5 HIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309892 904529020 /nfs/dbraw/zinc/52/90/20/904529020.db2.gz ZPSKCJGTLSGLAF-GMAHTHKFSA-N 0 3 423.538 4.409 20 5 HIBDHN CCOc1cc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000491603989 904670693 /nfs/dbraw/zinc/67/06/93/904670693.db2.gz IBBWKSUUUXRMCD-GOSISDBHSA-N 0 3 407.474 4.158 20 5 HIBDHN COc1cc(CNC2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492236124 904821088 /nfs/dbraw/zinc/82/10/88/904821088.db2.gz BTICYXGSKQDTEJ-UHFFFAOYSA-N 0 3 421.444 4.006 20 5 HIBDHN O=C(C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1)N1CCCC1 ZINC000506235712 914856808 /nfs/dbraw/zinc/85/68/08/914856808.db2.gz OWHAGLAHAACIDS-UHFFFAOYSA-N 0 3 417.893 4.343 20 5 HIBDHN COc1cc(CNC[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000493705745 905200468 /nfs/dbraw/zinc/20/04/68/905200468.db2.gz IXFVXHRFYFBHIJ-NSHDSACASA-N 0 3 416.371 4.419 20 5 HIBDHN COc1cccc(NC(=O)C[C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494519575 905809528 /nfs/dbraw/zinc/80/95/28/905809528.db2.gz BYRCOYJMGHUNLM-GFCCVEGCSA-N 0 3 411.380 4.129 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N(C)C)cc1 ZINC000495178183 906287997 /nfs/dbraw/zinc/28/79/97/906287997.db2.gz POZDVHXBVHEHRX-SFHVURJKSA-N 0 3 424.423 4.024 20 5 HIBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497730203 907227730 /nfs/dbraw/zinc/22/77/30/907227730.db2.gz OIHCOXDSICPGAQ-LJQANCHMSA-N 0 3 422.510 4.285 20 5 HIBDHN Cc1csc(Sc2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000499184739 908539123 /nfs/dbraw/zinc/53/91/23/908539123.db2.gz UMTCQXSANAACBM-CQSZACIVSA-N 0 3 420.560 4.115 20 5 HIBDHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000513061114 921516575 /nfs/dbraw/zinc/51/65/75/921516575.db2.gz HGLCEIPZYRAUCT-STQMWFEESA-N 0 3 406.280 4.425 20 5 HIBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513259578 921664729 /nfs/dbraw/zinc/66/47/29/921664729.db2.gz CNDCGQWECQAOOY-IBGZPJMESA-N 0 3 422.510 4.113 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CN(Cc4ccccc4)CCC3(F)F)n2)cc1 ZINC000508020552 916857475 /nfs/dbraw/zinc/85/74/75/916857475.db2.gz HQMUMVMFPAPCCN-QGZVFWFLSA-N 0 3 400.385 4.270 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000509266845 917955968 /nfs/dbraw/zinc/95/59/68/917955968.db2.gz ZTKRCLKCHYNCMK-QFIPXVFZSA-N 0 3 410.518 4.352 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000509368883 918034334 /nfs/dbraw/zinc/03/43/34/918034334.db2.gz AVAIRDNIXPGBET-QFIPXVFZSA-N 0 3 410.518 4.352 20 5 HIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000510494628 918942459 /nfs/dbraw/zinc/94/24/59/918942459.db2.gz YKYQGHMMVZUMMQ-UHFFFAOYSA-N 0 3 406.280 4.288 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510835303 919316376 /nfs/dbraw/zinc/31/63/76/919316376.db2.gz DTRUHLCNAHEMPK-KRWDZBQOSA-N 0 3 420.416 4.155 20 5 HIBDHN COc1cc(CN2CCC(c3cn[nH]c3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511521300 920140541 /nfs/dbraw/zinc/14/05/41/920140541.db2.gz HXFQDDOOSGWXHL-UHFFFAOYSA-N 0 3 422.485 4.285 20 5 HIBDHN CCN(CC)C(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000512235768 920989960 /nfs/dbraw/zinc/98/99/60/920989960.db2.gz DEVPGOVYFMPRPG-UHFFFAOYSA-N 0 3 401.532 4.404 20 5 HIBDHN Cc1c(NC(=O)[C@@H](C)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000513729905 922049852 /nfs/dbraw/zinc/04/98/52/922049852.db2.gz SPKJXUIDLRNTOY-ORPRQENYSA-N 0 3 419.428 4.098 20 5 HIBDHN CCN(CC)[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763518 922083111 /nfs/dbraw/zinc/08/31/11/922083111.db2.gz YTJQDMBIKHDSJQ-YADHBBJMSA-N 0 3 407.518 4.090 20 5 HIBDHN CCC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCc2sccc2C1 ZINC000514991475 922870031 /nfs/dbraw/zinc/87/00/31/922870031.db2.gz VDJMSRNOICQURD-VQTJNVASSA-N 0 3 413.543 4.377 20 5 HIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000515190420 922978648 /nfs/dbraw/zinc/97/86/48/922978648.db2.gz AAXBXOLQAHGOIL-UHFFFAOYSA-N 0 3 411.506 4.252 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC)c1 ZINC000515298539 923040948 /nfs/dbraw/zinc/04/09/48/923040948.db2.gz MQHGVDFMORUZES-LJQANCHMSA-N 0 3 411.458 4.163 20 5 HIBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000524892772 929876022 /nfs/dbraw/zinc/87/60/22/929876022.db2.gz MQYAEHCNPGRRFD-PMACEKPBSA-N 0 3 404.507 4.411 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215175 931355926 /nfs/dbraw/zinc/35/59/26/931355926.db2.gz WDYXRAFMHSRSJL-SJORKVTESA-N 0 3 400.498 4.206 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215114 931356409 /nfs/dbraw/zinc/35/64/09/931356409.db2.gz WDYXRAFMHSRSJL-DLBZAZTESA-N 0 3 400.498 4.206 20 5 HIBDHN C[C@H](c1ccncc1)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532669678 931577431 /nfs/dbraw/zinc/57/74/31/931577431.db2.gz OLLRXDWOFMDZOD-MRXNPFEDSA-N 0 3 423.542 4.429 20 5 HIBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000533047757 931752124 /nfs/dbraw/zinc/75/21/24/931752124.db2.gz NNULPAFQEYPGGT-INIZCTEOSA-N 0 3 412.421 4.042 20 5 HIBDHN O=[N+]([O-])c1cnn(CCNCc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1 ZINC000533188218 931804843 /nfs/dbraw/zinc/80/48/43/931804843.db2.gz CUNXVPRZNOSFFT-UHFFFAOYSA-N 0 3 422.876 4.087 20 5 HIBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534541280 932553196 /nfs/dbraw/zinc/55/31/96/932553196.db2.gz JHFPWSZQTQNHIT-KRWDZBQOSA-N 0 3 417.893 4.081 20 5 HIBDHN O=C(CN[C@@H](c1ccccc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000538388959 938608978 /nfs/dbraw/zinc/60/89/78/938608978.db2.gz MRPWUGJEXOPMJF-SFHVURJKSA-N 0 3 404.264 4.037 20 5 HIBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN(C)C ZINC000538574554 938653059 /nfs/dbraw/zinc/65/30/59/938653059.db2.gz NAMJFWAQHFTYAX-UHFFFAOYSA-N 0 3 401.532 4.479 20 5 HIBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000538573427 938653064 /nfs/dbraw/zinc/65/30/64/938653064.db2.gz WQKXXRIIKFVSCK-UHFFFAOYSA-N 0 3 423.579 4.106 20 5 HIBDHN C[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCc2ccccc21 ZINC000538707721 938687533 /nfs/dbraw/zinc/68/75/33/938687533.db2.gz YQSGRLNPXRJGHY-IBGZPJMESA-N 0 3 418.291 4.137 20 5 HIBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000539410551 938856668 /nfs/dbraw/zinc/85/66/68/938856668.db2.gz MPVLYANGVNMQNV-HXUWFJFHSA-N 0 3 411.502 4.197 20 5 HIBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541585430 939560723 /nfs/dbraw/zinc/56/07/23/939560723.db2.gz DNNPDCSJAGADER-UHFFFAOYSA-N 0 3 410.396 4.209 20 5 HIBDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952538 939660646 /nfs/dbraw/zinc/66/06/46/939660646.db2.gz QHEYNBHXDMAZJQ-HOTGVXAUSA-N 0 3 407.474 4.075 20 5 HIBDHN O=C(CN[C@@H](c1cccs1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000542509546 939834858 /nfs/dbraw/zinc/83/48/58/939834858.db2.gz CPAFSUIGCZNYHP-MRXNPFEDSA-N 0 3 410.293 4.098 20 5 HIBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000542918024 939877325 /nfs/dbraw/zinc/87/73/25/939877325.db2.gz VBPVRRQOIXUOPO-AEFFLSMTSA-N 0 3 406.523 4.277 20 5 HIBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)cs1 ZINC000543516336 940092918 /nfs/dbraw/zinc/09/29/18/940092918.db2.gz CPQPJJBSOAKHLN-CQSZACIVSA-N 0 3 424.482 4.367 20 5 HIBDHN C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543594119 940124355 /nfs/dbraw/zinc/12/43/55/940124355.db2.gz CYQTVRVFYFGYEB-CQSZACIVSA-N 0 3 407.495 4.460 20 5 HIBDHN CC1(CO)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000545166456 940553333 /nfs/dbraw/zinc/55/33/33/940553333.db2.gz YTTYBXLZJYOLGE-UHFFFAOYSA-N 0 3 409.280 4.212 20 5 HIBDHN CCO[C@@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000546760726 940878144 /nfs/dbraw/zinc/87/81/44/940878144.db2.gz GRYKOEOUYRXPNJ-VSKRKVRLSA-N 0 3 416.449 4.342 20 5 HIBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000546761239 940878458 /nfs/dbraw/zinc/87/84/58/940878458.db2.gz XPXBVMCRCFJFRW-UZLBHIALSA-N 0 3 406.866 4.324 20 5 HIBDHN COc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000551039942 941399537 /nfs/dbraw/zinc/39/95/37/941399537.db2.gz QIRVPZYWGODMCQ-INMHGKMJSA-N 0 3 414.449 4.110 20 5 HIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(Br)ccc1F ZINC000551241789 941433996 /nfs/dbraw/zinc/43/39/96/941433996.db2.gz OYASCLSIWHIXGK-LLVKDONJSA-N 0 3 410.243 4.003 20 5 HIBDHN CC(C)c1nc(C2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 ZINC000552528250 941696243 /nfs/dbraw/zinc/69/62/43/941696243.db2.gz PXRPZDOVGYJNHZ-UHFFFAOYSA-N 0 3 411.462 4.178 20 5 HIBDHN CCN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555125419 942392799 /nfs/dbraw/zinc/39/27/99/942392799.db2.gz LFISONSEABYXOJ-YLJYHZDGSA-N 0 3 417.872 4.189 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000555567562 942646911 /nfs/dbraw/zinc/64/69/11/942646911.db2.gz OQFQCUYAKOGPAS-UHFFFAOYSA-N 0 3 412.273 4.371 20 5 HIBDHN COc1cc(CN2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000558417909 943554893 /nfs/dbraw/zinc/55/48/93/943554893.db2.gz KQGDXVDHDNPMCJ-HSZRJFAPSA-N 0 3 414.502 4.309 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000561396530 944577656 /nfs/dbraw/zinc/57/76/56/944577656.db2.gz OKCLMDOSNZUAQJ-HSZRJFAPSA-N 0 3 410.445 4.421 20 5 HIBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764374 944786878 /nfs/dbraw/zinc/78/68/78/944786878.db2.gz JEODSCWPBROCLU-IUKKYPGJSA-N 0 3 422.529 4.009 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000571827988 947796531 /nfs/dbraw/zinc/79/65/31/947796531.db2.gz FGSOMHZKJVWWGD-RNODOKPDSA-N 0 3 401.438 4.201 20 5 HIBDHN CC[C@@H](C)N[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000572513626 947921607 /nfs/dbraw/zinc/92/16/07/947921607.db2.gz WWISCIZZSYRJRD-CZUORRHYSA-N 0 3 414.487 4.171 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000010917315 845726743 /nfs/dbraw/zinc/72/67/43/845726743.db2.gz DGNMBZHMEGFWSM-IBGZPJMESA-N 0 3 417.531 4.138 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025858747 847046801 /nfs/dbraw/zinc/04/68/01/847046801.db2.gz JQIPTDCXDSGSJF-LJQANCHMSA-N 0 3 405.882 4.070 20 5 HIBDHN Cc1c(NC(=O)CCN(C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026251019 847112173 /nfs/dbraw/zinc/11/21/73/847112173.db2.gz XGVPZCWTZRQBHK-UHFFFAOYSA-N 0 3 412.309 4.188 20 5 HIBDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000026300551 847120449 /nfs/dbraw/zinc/12/04/49/847120449.db2.gz HHOCIZHCWBKDFV-MGPUTAFESA-N 0 3 401.532 4.057 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065892486 852306139 /nfs/dbraw/zinc/30/61/39/852306139.db2.gz JMPYAABJRLJLRQ-HXUWFJFHSA-N 0 3 413.493 4.383 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006897 852462292 /nfs/dbraw/zinc/46/22/92/852462292.db2.gz UYXSDNSZMLBGAN-NRFANRHFSA-N 0 3 413.543 4.276 20 5 HIBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000195695813 853763643 /nfs/dbraw/zinc/76/36/43/853763643.db2.gz IPKILBATQZNUCB-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN COc1cccc([C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)c1 ZINC000237318463 854005765 /nfs/dbraw/zinc/00/57/65/854005765.db2.gz WJNTZDKNRLJECG-FQEVSTJZSA-N 0 3 412.515 4.119 20 5 HIBDHN COc1ccc(C[C@@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000237426589 854030637 /nfs/dbraw/zinc/03/06/37/854030637.db2.gz ZPPNLSYXFPSKIF-CQSZACIVSA-N 0 3 413.499 4.456 20 5 HIBDHN COc1ccc(C(=O)Nc2cccc(OCCNCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000237475934 854041288 /nfs/dbraw/zinc/04/12/88/854041288.db2.gz PQCXYJWNTAZDNX-UHFFFAOYSA-N 0 3 421.453 4.024 20 5 HIBDHN C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000237698351 854077979 /nfs/dbraw/zinc/07/79/79/854077979.db2.gz TXZMYTNWWQTPTO-QFBILLFUSA-N 0 3 408.527 4.471 20 5 HIBDHN O=[N+]([O-])c1cc(CNCCn2cnnc2C2CC2)ccc1Oc1ccccc1Cl ZINC000237932774 854121796 /nfs/dbraw/zinc/12/17/96/854121796.db2.gz IKPKRJKBVOEDMU-UHFFFAOYSA-N 0 3 413.865 4.299 20 5 HIBDHN Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302202169 854549078 /nfs/dbraw/zinc/54/90/78/854549078.db2.gz VTIPTUKNBDKUTM-HOTGVXAUSA-N 0 3 407.474 4.072 20 5 HIBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426044425 856067946 /nfs/dbraw/zinc/06/79/46/856067946.db2.gz SIBOJUOHZRCAPR-JOCHJYFZSA-N 0 3 408.502 4.106 20 5 HIBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437694288 863031426 /nfs/dbraw/zinc/03/14/26/863031426.db2.gz ANAHYPWWVKOUNL-IBGZPJMESA-N 0 3 414.531 4.167 20 5 HIBDHN COc1cccc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000435870210 861129914 /nfs/dbraw/zinc/12/99/14/861129914.db2.gz DZGQCFSJYHNOIN-UHFFFAOYSA-N 0 3 415.515 4.066 20 5 HIBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1O ZINC000438337317 863810861 /nfs/dbraw/zinc/81/08/61/863810861.db2.gz XVJMLPPYPKFNBW-KRWDZBQOSA-N 0 3 409.280 4.210 20 5 HIBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000440925105 866021443 /nfs/dbraw/zinc/02/14/43/866021443.db2.gz KXPCHTBPXJWUHQ-XJKSGUPXSA-N 0 3 415.877 4.396 20 5 HIBDHN COc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000446853378 870774894 /nfs/dbraw/zinc/77/48/94/870774894.db2.gz UVQJIQYKVYNSGE-UHFFFAOYSA-N 0 3 410.392 4.418 20 5 HIBDHN COCCOc1ccc([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530070 871394577 /nfs/dbraw/zinc/39/45/77/871394577.db2.gz NDSLVARWRYMRRC-QRWLVFNGSA-N 0 3 400.475 4.357 20 5 HIBDHN C[C@@H]1CN(Cc2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000447540089 871406557 /nfs/dbraw/zinc/40/65/57/871406557.db2.gz ISFXFSWRICEBKC-RHGYRFJNSA-N 0 3 409.530 4.371 20 5 HIBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543550 871411632 /nfs/dbraw/zinc/41/16/32/871411632.db2.gz RRFLCBAZLXPWOS-KSFYIVLOSA-N 0 3 412.509 4.214 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccnc2Oc2cccc(F)c2)n1 ZINC000447546567 871417893 /nfs/dbraw/zinc/41/78/93/871417893.db2.gz XBQGLFWVWUIMCO-MOPGFXCFSA-N 0 3 411.437 4.391 20 5 HIBDHN CCOc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579657 871480545 /nfs/dbraw/zinc/48/05/45/871480545.db2.gz LDJUVPZCAKRDIA-CABCVRRESA-N 0 3 410.421 4.065 20 5 HIBDHN COC[C@@H]1CCCCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000468697877 882819226 /nfs/dbraw/zinc/81/92/26/882819226.db2.gz ZXRWNWVYFWKOLP-LJQANCHMSA-N 0 3 414.502 4.431 20 5 HIBDHN COc1cc(CN[C@H]2C[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000462871497 875901087 /nfs/dbraw/zinc/90/10/87/875901087.db2.gz QCRPSISQDCGMLT-SAZUREKKSA-N 0 3 421.291 4.410 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000463105223 876141841 /nfs/dbraw/zinc/14/18/41/876141841.db2.gz FZDBIRBDLYAJAN-MRXNPFEDSA-N 0 3 415.437 4.488 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463438251 876494909 /nfs/dbraw/zinc/49/49/09/876494909.db2.gz WMGNRQKIOHHXFH-GOSISDBHSA-N 0 3 407.392 4.181 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000464769896 878012714 /nfs/dbraw/zinc/01/27/14/878012714.db2.gz BBJYZUVZPVJAEV-UHFFFAOYSA-N 0 3 414.487 4.182 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000470179228 884463355 /nfs/dbraw/zinc/46/33/55/884463355.db2.gz UTFDIICLJNOJGE-RGEXLXHISA-N 0 3 407.514 4.335 20 5 HIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000470233961 884561601 /nfs/dbraw/zinc/56/16/01/884561601.db2.gz SFMQOVSCGFBDDZ-UHFFFAOYSA-N 0 3 414.428 4.138 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474346521 889222478 /nfs/dbraw/zinc/22/24/78/889222478.db2.gz ISBWFQUBKQOGAF-FQEVSTJZSA-N 0 3 404.438 4.163 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474358303 889237430 /nfs/dbraw/zinc/23/74/30/889237430.db2.gz YQVKKHLKWKMROA-NRFANRHFSA-N 0 3 418.877 4.431 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474378755 889254398 /nfs/dbraw/zinc/25/43/98/889254398.db2.gz ZMAXXGKXVJQWKI-FQEVSTJZSA-N 0 3 404.438 4.163 20 5 HIBDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066015 891999750 /nfs/dbraw/zinc/99/97/50/891999750.db2.gz MTFDOEGCOZCPGW-MHTXLSKPSA-N 0 3 413.499 4.223 20 5 HIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1cn2cc(Br)ccc2n1)C1CC1 ZINC000480891166 896248443 /nfs/dbraw/zinc/24/84/43/896248443.db2.gz UOJKKYGEOOGNIP-QGZVFWFLSA-N 0 3 415.291 4.116 20 5 HIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532020 898119468 /nfs/dbraw/zinc/11/94/68/898119468.db2.gz KCROXCPQZKDTCN-SJORKVTESA-N 0 3 400.498 4.206 20 5 HIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000482623982 898226138 /nfs/dbraw/zinc/22/61/38/898226138.db2.gz SLGZDYDIAOABAH-UHFFFAOYSA-N 0 3 411.380 4.158 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccsc1 ZINC000484722206 900152025 /nfs/dbraw/zinc/15/20/25/900152025.db2.gz WQDHSKLOXGATEU-INIZCTEOSA-N 0 3 423.560 4.200 20 5 HIBDHN CN(CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000485742613 900996398 /nfs/dbraw/zinc/99/63/98/900996398.db2.gz NWQUJWLJMHHLAN-UHFFFAOYSA-N 0 3 419.481 4.036 20 5 HIBDHN CCN1CCN(c2ccccc2CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000487214726 902103241 /nfs/dbraw/zinc/10/32/41/902103241.db2.gz ITHSRBNMHRMNEO-UHFFFAOYSA-N 0 3 422.451 4.045 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000489916889 903672545 /nfs/dbraw/zinc/67/25/45/903672545.db2.gz WESLUFBIUAIWKG-CRAIPNDOSA-N 0 3 402.520 4.162 20 5 HIBDHN COc1ccc(CNC(=O)C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000490026802 903730146 /nfs/dbraw/zinc/73/01/46/903730146.db2.gz AJRDLXMFVVBBSS-QGZVFWFLSA-N 0 3 411.502 4.001 20 5 HIBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000490490957 904043649 /nfs/dbraw/zinc/04/36/49/904043649.db2.gz IOFFKQMAGSSZNR-LJQANCHMSA-N 0 3 403.910 4.479 20 5 HIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccnc(Oc2ccccc2F)c1 ZINC000494497414 905785893 /nfs/dbraw/zinc/78/58/93/905785893.db2.gz ROHFCIPJOLTHTN-OAHLLOKOSA-N 0 3 424.432 4.428 20 5 HIBDHN COc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512663321 921279620 /nfs/dbraw/zinc/27/96/20/921279620.db2.gz JSRYXAKNHOXJLC-UHFFFAOYSA-N 0 3 422.485 4.285 20 5 HIBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000506477155 915079861 /nfs/dbraw/zinc/07/98/61/915079861.db2.gz MJQHBIIYATZFIH-OAQYLSRUSA-N 0 3 408.527 4.425 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCN(Cc3cscn3)CC2)s1 ZINC000513415439 921784000 /nfs/dbraw/zinc/78/40/00/921784000.db2.gz JJAKXTVFVBQAOE-UHFFFAOYSA-N 0 3 414.556 4.488 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000507096137 915867049 /nfs/dbraw/zinc/86/70/49/915867049.db2.gz AGLVSMHPEZIYTL-UHFFFAOYSA-N 0 3 413.543 4.097 20 5 HIBDHN CSc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507126817 915880573 /nfs/dbraw/zinc/88/05/73/915880573.db2.gz MWSZXRAJKMYHEN-UHFFFAOYSA-N 0 3 413.543 4.097 20 5 HIBDHN Cc1c(NC(=O)[C@@H](C)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000507636473 916396210 /nfs/dbraw/zinc/39/62/10/916396210.db2.gz OQJGPOMZAPXYAM-QGZVFWFLSA-N 0 3 421.501 4.185 20 5 HIBDHN COc1cc(CNCCc2ccc(O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000507928712 916803730 /nfs/dbraw/zinc/80/37/30/916803730.db2.gz FICCSFJGUYVSHD-UHFFFAOYSA-N 0 3 408.454 4.220 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000508843191 917594156 /nfs/dbraw/zinc/59/41/56/917594156.db2.gz SJWJGSKFKWEBOT-QHCPKHFHSA-N 0 3 412.486 4.196 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000509826305 918427757 /nfs/dbraw/zinc/42/77/57/918427757.db2.gz KFALDSFINCURLQ-NRFANRHFSA-N 0 3 410.518 4.179 20 5 HIBDHN O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000509949144 918544179 /nfs/dbraw/zinc/54/41/79/918544179.db2.gz OVKLOVWLMHBYBX-GOSISDBHSA-N 0 3 406.442 4.251 20 5 HIBDHN C[C@@H]1CN(C2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000510554087 918998514 /nfs/dbraw/zinc/99/85/14/918998514.db2.gz PPWIHLFKAYQJKT-LJQANCHMSA-N 0 3 424.545 4.048 20 5 HIBDHN COc1cc(CN(C)C[C@@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511633072 920296483 /nfs/dbraw/zinc/29/64/83/920296483.db2.gz ZGNATOKFHCQAFP-FQEVSTJZSA-N 0 3 400.475 4.183 20 5 HIBDHN CN(c1ccccc1)c1ccc(CNCCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000520205307 928387566 /nfs/dbraw/zinc/38/75/66/928387566.db2.gz IEWHWVUYSNGUJX-UHFFFAOYSA-N 0 3 410.518 4.291 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000524644581 929756383 /nfs/dbraw/zinc/75/63/83/929756383.db2.gz PNSAQYOUZYHECN-FZKQIMNGSA-N 0 3 405.545 4.191 20 5 HIBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000524892774 929875846 /nfs/dbraw/zinc/87/58/46/929875846.db2.gz MQYAEHCNPGRRFD-VQTJNVASSA-N 0 3 404.507 4.411 20 5 HIBDHN C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629664 931132433 /nfs/dbraw/zinc/13/24/33/931132433.db2.gz MHJQIMQBGPMBDD-VBKZILBWSA-N 0 3 417.893 4.333 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000533427479 931865670 /nfs/dbraw/zinc/86/56/70/931865670.db2.gz SWHPWJFYPZKCGQ-VFNWGFHPSA-N 0 3 415.515 4.111 20 5 HIBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC(OCCO)CC2)cc1 ZINC000537659550 938348379 /nfs/dbraw/zinc/34/83/79/938348379.db2.gz XWQOSFAGGLZCGJ-UHFFFAOYSA-N 0 3 406.866 4.014 20 5 HIBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000538322962 938592633 /nfs/dbraw/zinc/59/26/33/938592633.db2.gz HLKZTDWNHZCVKY-ZUOKHONESA-N 0 3 401.438 4.119 20 5 HIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000538391024 938609340 /nfs/dbraw/zinc/60/93/40/938609340.db2.gz XJXGSWSQDBKSIG-SFHVURJKSA-N 0 3 403.454 4.064 20 5 HIBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000539021314 938771351 /nfs/dbraw/zinc/77/13/51/938771351.db2.gz SICBFBUIRSOLKK-QWHCGFSZSA-N 0 3 406.280 4.425 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000539047921 938782564 /nfs/dbraw/zinc/78/25/64/938782564.db2.gz ZKVCBANACZJIOF-GFCCVEGCSA-N 0 3 416.279 4.302 20 5 HIBDHN C[C@@H](N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539286653 938833831 /nfs/dbraw/zinc/83/38/31/938833831.db2.gz GBCOPENEGOBRHI-ZIAGYGMSSA-N 0 3 413.865 4.112 20 5 HIBDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818884 938942017 /nfs/dbraw/zinc/94/20/17/938942017.db2.gz FLBBLTLXURRTKY-WOJBJXKFSA-N 0 3 420.893 4.260 20 5 HIBDHN O=C1C[C@H]([C@H]2CCCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924221 938978139 /nfs/dbraw/zinc/97/81/39/938978139.db2.gz WLPGDNZDVYYHLT-QFBILLFUSA-N 0 3 413.449 4.017 20 5 HIBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540203330 939125574 /nfs/dbraw/zinc/12/55/74/939125574.db2.gz SYGNZIZORLRNID-OAQYLSRUSA-N 0 3 416.481 4.224 20 5 HIBDHN O=C(CN[C@H](c1ccc(Cl)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408124 939237453 /nfs/dbraw/zinc/23/74/53/939237453.db2.gz IHBBEOZANKVKAE-FQEVSTJZSA-N 0 3 417.849 4.046 20 5 HIBDHN CC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554239 939303451 /nfs/dbraw/zinc/30/34/51/939303451.db2.gz METLOXYPZUDBFG-FKVRIVCVSA-N 0 3 423.513 4.350 20 5 HIBDHN O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCN1c1cccnc1 ZINC000542483146 939831362 /nfs/dbraw/zinc/83/13/62/939831362.db2.gz ZBSFCGNSKRGQAO-IBGZPJMESA-N 0 3 408.483 4.004 20 5 HIBDHN O=C(CN[C@H](Cc1ccccc1)c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000543454475 940067845 /nfs/dbraw/zinc/06/78/45/940067845.db2.gz LEGVJXHZMZAAQI-LJQANCHMSA-N 0 3 407.495 4.119 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCc3c4ccccc4sc32)cc1 ZINC000543598385 940126490 /nfs/dbraw/zinc/12/64/90/940126490.db2.gz ZOOLGLDXKCBIBM-GOSISDBHSA-N 0 3 416.524 4.250 20 5 HIBDHN COc1cc(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626251 940493516 /nfs/dbraw/zinc/49/35/16/940493516.db2.gz OEWGPVLEWLFTKT-MJGOQNOKSA-N 0 3 404.438 4.103 20 5 HIBDHN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545478279 940571534 /nfs/dbraw/zinc/57/15/34/940571534.db2.gz VFWOKPKZYITJOI-QGZVFWFLSA-N 0 3 421.419 4.350 20 5 HIBDHN COCC1(NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000552083378 941581695 /nfs/dbraw/zinc/58/16/95/941581695.db2.gz AXILYWCRJDEPPD-UHFFFAOYSA-N 0 3 402.516 4.340 20 5 HIBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000553852158 941983128 /nfs/dbraw/zinc/98/31/28/941983128.db2.gz AQTCXPJEGBDLCA-IRXDYDNUSA-N 0 3 400.422 4.032 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000554354658 942111637 /nfs/dbraw/zinc/11/16/37/942111637.db2.gz MJFULCDUMDUZAQ-FQEVSTJZSA-N 0 3 400.479 4.115 20 5 HIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000558511246 943580420 /nfs/dbraw/zinc/58/04/20/943580420.db2.gz KBCBUYWBKSNQGB-UHFFFAOYSA-N 0 3 406.433 4.031 20 5 HIBDHN COc1cccc([C@H]2[C@@H](NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894653 943726113 /nfs/dbraw/zinc/72/61/13/943726113.db2.gz FKYHVCYCMCPGJZ-SFTDATJTSA-N 0 3 401.894 4.324 20 5 HIBDHN COc1cccc([C@@H]2[C@@H](NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894650 943726827 /nfs/dbraw/zinc/72/68/27/943726827.db2.gz FKYHVCYCMCPGJZ-LEWJYISDSA-N 0 3 401.894 4.324 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000559919655 944084305 /nfs/dbraw/zinc/08/43/05/944084305.db2.gz PJDOQFMXBXGDPG-LJQANCHMSA-N 0 3 408.907 4.079 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000559919652 944084418 /nfs/dbraw/zinc/08/44/18/944084418.db2.gz PJDOQFMXBXGDPG-IBGZPJMESA-N 0 3 408.907 4.079 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)cs2)c1 ZINC000560680600 944292612 /nfs/dbraw/zinc/29/26/12/944292612.db2.gz LMTDSIRRTCEALG-OAHLLOKOSA-N 0 3 410.503 4.093 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cs2)c1 ZINC000560680600 944292616 /nfs/dbraw/zinc/29/26/16/944292616.db2.gz LMTDSIRRTCEALG-OAHLLOKOSA-N 0 3 410.503 4.093 20 5 HIBDHN O=C1[C@@H](N[C@@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384048 945821181 /nfs/dbraw/zinc/82/11/81/945821181.db2.gz GEBBIIKAKCBDRF-PMACEKPBSA-N 0 3 407.495 4.335 20 5 HIBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000570502190 947269223 /nfs/dbraw/zinc/26/92/23/947269223.db2.gz DTUKZNOUTZRSLA-ACJLOTCBSA-N 0 3 420.307 4.087 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000573018459 948059342 /nfs/dbraw/zinc/05/93/42/948059342.db2.gz OZDIICSMEWMHHA-QRVBRYPASA-N 0 3 404.413 4.201 20 5 HIBDHN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626091 719066176 /nfs/dbraw/zinc/06/61/76/719066176.db2.gz NZWGMGHPNLCRGS-WBVHZDCISA-N 0 3 422.863 4.289 20 5 HIBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164635837 719255426 /nfs/dbraw/zinc/25/54/26/719255426.db2.gz QRZQFPUQEZCMLE-DLBZAZTESA-N 0 3 406.486 4.251 20 5 HIBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726928 720441590 /nfs/dbraw/zinc/44/15/90/720441590.db2.gz CGXQVXMDKRWWSJ-MOPGFXCFSA-N 0 3 409.877 4.045 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000019538762 846367246 /nfs/dbraw/zinc/36/72/46/846367246.db2.gz NGGGSJVFJPWAHG-OAQYLSRUSA-N 0 3 405.454 4.116 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987087 847975661 /nfs/dbraw/zinc/97/56/61/847975661.db2.gz OVCHMFZCPYZBDW-KSSFIOAISA-N 0 3 407.561 4.336 20 5 HIBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000062488643 851564013 /nfs/dbraw/zinc/56/40/13/851564013.db2.gz ROFUHAMIAKPBRV-HNNXBMFYSA-N 0 3 404.898 4.083 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063560067 851714086 /nfs/dbraw/zinc/71/40/86/851714086.db2.gz DLMCTIBKVCTUKU-GOSISDBHSA-N 0 3 412.408 4.264 20 5 HIBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000065938962 852327659 /nfs/dbraw/zinc/32/76/59/852327659.db2.gz ODBSIDAMPBWZQX-UHFFFAOYSA-N 0 3 415.437 4.188 20 5 HIBDHN CC1CCN([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006898 852461919 /nfs/dbraw/zinc/46/19/19/852461919.db2.gz UYXSDNSZMLBGAN-OAQYLSRUSA-N 0 3 413.543 4.276 20 5 HIBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C[C@@H](C)O1 ZINC000110414255 853097709 /nfs/dbraw/zinc/09/77/09/853097709.db2.gz HOGXYGHFQPDYDM-RTBURBONSA-N 0 3 417.553 4.349 20 5 HIBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000115926305 853273263 /nfs/dbraw/zinc/27/32/63/853273263.db2.gz BCOFRDZPPJJPOD-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215713484 853836290 /nfs/dbraw/zinc/83/62/90/853836290.db2.gz OJWAZFFYIJOFEC-IBGZPJMESA-N 0 3 422.510 4.285 20 5 HIBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236873338 853931260 /nfs/dbraw/zinc/93/12/60/853931260.db2.gz RJXPYOFIDOXWLO-GFCCVEGCSA-N 0 3 424.295 4.012 20 5 HIBDHN CS(=O)(=O)Cc1ccccc1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237346402 854010588 /nfs/dbraw/zinc/01/05/88/854010588.db2.gz YGZOABNKQHYSAJ-UHFFFAOYSA-N 0 3 416.524 4.158 20 5 HIBDHN C[C@H](CO[C@H]1CCOC1)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237399860 854023595 /nfs/dbraw/zinc/02/35/95/854023595.db2.gz YAJJTKHDHSOIMM-ZBFHGGJFSA-N 0 3 406.866 4.324 20 5 HIBDHN Cc1cc(Br)ccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237554379 854053342 /nfs/dbraw/zinc/05/33/42/854053342.db2.gz PDKDUADYYHWNGD-UHFFFAOYSA-N 0 3 415.291 4.356 20 5 HIBDHN Cn1cc(CNCc2cccc(OCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933731 854121812 /nfs/dbraw/zinc/12/18/12/854121812.db2.gz AQBPVYRJUHRJKJ-UHFFFAOYSA-N 0 3 420.391 4.226 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3N3CCOCC3)s2)cc1 ZINC000238001561 854131490 /nfs/dbraw/zinc/13/14/90/854131490.db2.gz YDPHVMMUEXUSLJ-UHFFFAOYSA-N 0 3 409.511 4.450 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000248180990 854183852 /nfs/dbraw/zinc/18/38/52/854183852.db2.gz DHJAJRHFFQNEII-LJQANCHMSA-N 0 3 405.882 4.070 20 5 HIBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000302667996 854600779 /nfs/dbraw/zinc/60/07/79/854600779.db2.gz RHCUWMBXGMOSFT-QZTJIDSGSA-N 0 3 424.545 4.069 20 5 HIBDHN O=C1[C@H](N[C@H](Cc2ccccc2)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303420480 854923340 /nfs/dbraw/zinc/92/33/40/854923340.db2.gz UNAVFEOUYLYROI-DHIUTWEWSA-N 0 3 401.466 4.274 20 5 HIBDHN Cc1ccc(-n2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(C(C)(C)C)n2)cc1 ZINC000425994164 856035350 /nfs/dbraw/zinc/03/53/50/856035350.db2.gz FUFQPSLCTVPQDG-UHFFFAOYSA-N 0 3 422.533 4.420 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249673 856201643 /nfs/dbraw/zinc/20/16/43/856201643.db2.gz GBKZIQUEHVCDOL-QFIPXVFZSA-N 0 3 408.502 4.106 20 5 HIBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426570503 856353256 /nfs/dbraw/zinc/35/32/56/856353256.db2.gz MFIHBXSAMMVVOF-MRXNPFEDSA-N 0 3 401.532 4.008 20 5 HIBDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427570256 856871854 /nfs/dbraw/zinc/87/18/54/856871854.db2.gz SOWMFNPBWRRXNO-IBGZPJMESA-N 0 3 411.477 4.137 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1CN(CCCOc1ccccc1)C1CCOCC1 ZINC000430195232 858076254 /nfs/dbraw/zinc/07/62/54/858076254.db2.gz NPFAVBOMASGUBT-UHFFFAOYSA-N 0 3 400.475 4.054 20 5 HIBDHN C[C@H]1CN(Cc2cccc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168080 859550213 /nfs/dbraw/zinc/55/02/13/859550213.db2.gz LHHPJPXRXQJSJH-GAJHUEQPSA-N 0 3 409.530 4.328 20 5 HIBDHN COC[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433201033 859564137 /nfs/dbraw/zinc/56/41/37/859564137.db2.gz UHDAKHSGQOCPJY-MJGOQNOKSA-N 0 3 406.866 4.324 20 5 HIBDHN Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435300654 860726566 /nfs/dbraw/zinc/72/65/66/860726566.db2.gz VWJQZWSFBXEUEK-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435300655 860726849 /nfs/dbraw/zinc/72/68/49/860726849.db2.gz VWJQZWSFBXEUEK-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807042 881631481 /nfs/dbraw/zinc/63/14/81/881631481.db2.gz LQUMCSPCKYKSLB-UGSOOPFHSA-N 0 3 415.877 4.253 20 5 HIBDHN Cc1c(CC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000438904826 864384126 /nfs/dbraw/zinc/38/41/26/864384126.db2.gz VFFFOOVDIDINCX-IBGZPJMESA-N 0 3 401.532 4.097 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000439169053 864598212 /nfs/dbraw/zinc/59/82/12/864598212.db2.gz MCSHDYJIQWIPRS-ACJLOTCBSA-N 0 3 407.923 4.431 20 5 HIBDHN CC(C)(CN[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(F)cccc1Cl ZINC000439654437 864980859 /nfs/dbraw/zinc/98/08/59/864980859.db2.gz YVFWVIQXDBWMRU-KRWDZBQOSA-N 0 3 405.857 4.060 20 5 HIBDHN CN(C)CCN(C)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000443209563 867876218 /nfs/dbraw/zinc/87/62/18/867876218.db2.gz FXDSTNHHERKZSF-VKAVYKQESA-N 0 3 424.526 4.155 20 5 HIBDHN COc1ccc(OCCN2CCC(c3nc4cccc(C)c4o3)CC2)c([N+](=O)[O-])c1 ZINC000444766806 868993651 /nfs/dbraw/zinc/99/36/51/868993651.db2.gz NJFICKSAPIBUDO-UHFFFAOYSA-N 0 3 411.458 4.311 20 5 HIBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445181149 869263894 /nfs/dbraw/zinc/26/38/94/869263894.db2.gz HAZXBIKGIJTHIK-KRWDZBQOSA-N 0 3 405.542 4.312 20 5 HIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@]3(CCO)CCOC3)cc2[N+](=O)[O-])c1 ZINC000447071144 870951233 /nfs/dbraw/zinc/95/12/33/870951233.db2.gz ZUJODOZSVCUMPP-HSZRJFAPSA-N 0 3 414.502 4.450 20 5 HIBDHN COc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531647 871395142 /nfs/dbraw/zinc/39/51/42/871395142.db2.gz SBIUZFCZDHUWNU-RBUKOAKNSA-N 0 3 414.506 4.395 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](n4cccn4)C3)o2)c(Br)c1 ZINC000463032277 876052300 /nfs/dbraw/zinc/05/23/00/876052300.db2.gz HRTZXCLTZVDZEY-CQSZACIVSA-N 0 3 417.263 4.261 20 5 HIBDHN Cc1cnc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000463059688 876087803 /nfs/dbraw/zinc/08/78/03/876087803.db2.gz ZNVLNGRRBFIFTQ-UHFFFAOYSA-N 0 3 417.513 4.233 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000463105222 876141528 /nfs/dbraw/zinc/14/15/28/876141528.db2.gz FZDBIRBDLYAJAN-INIZCTEOSA-N 0 3 415.437 4.488 20 5 HIBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463438252 876495430 /nfs/dbraw/zinc/49/54/30/876495430.db2.gz WMGNRQKIOHHXFH-SFHVURJKSA-N 0 3 407.392 4.181 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732515 877969831 /nfs/dbraw/zinc/96/98/31/877969831.db2.gz HKSVKILURLTFTM-GDBMZVCRSA-N 0 3 401.429 4.169 20 5 HIBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1C ZINC000470155581 884427966 /nfs/dbraw/zinc/42/79/66/884427966.db2.gz ZOGUFBAYVIXXMV-BXUZGUMPSA-N 0 3 423.263 4.001 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000470178227 884460614 /nfs/dbraw/zinc/46/06/14/884460614.db2.gz JCJFVKQGINVVBP-SAPNQHFASA-N 0 3 400.523 4.094 20 5 HIBDHN COc1cccc(C=C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000473016176 887844217 /nfs/dbraw/zinc/84/42/17/887844217.db2.gz VNGVJTVGIGOFPI-UHFFFAOYSA-N 0 3 409.486 4.420 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003904 888862303 /nfs/dbraw/zinc/86/23/03/888862303.db2.gz ZPSBQFMWNLZGIK-FDDCHVKYSA-N 0 3 412.486 4.196 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000474349696 889225796 /nfs/dbraw/zinc/22/57/96/889225796.db2.gz ABBBOXMLRUCEPI-QKAVXHIFSA-N 0 3 418.877 4.287 20 5 HIBDHN COc1ccc(CN2CCC[C@@](C)(OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475286233 890185204 /nfs/dbraw/zinc/18/52/04/890185204.db2.gz PISANKRUVGHFOS-JOCHJYFZSA-N 0 3 400.475 4.183 20 5 HIBDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000477066012 891999136 /nfs/dbraw/zinc/99/91/36/891999136.db2.gz MTFDOEGCOZCPGW-HOLBHBGLSA-N 0 3 413.499 4.223 20 5 HIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000504900063 913632564 /nfs/dbraw/zinc/63/25/64/913632564.db2.gz QMSMDSDKWQKIEA-LLVKDONJSA-N 0 3 413.421 4.111 20 5 HIBDHN CCOc1ccc([C@H](C)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911114 913645192 /nfs/dbraw/zinc/64/51/92/913645192.db2.gz AOZIVSWWPUMHAW-ROUUACIJSA-N 0 3 413.518 4.065 20 5 HIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923261 893009422 /nfs/dbraw/zinc/00/94/22/893009422.db2.gz OFUVAIVSMWLBMN-SBUREZEXSA-N 0 3 412.436 4.403 20 5 HIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696967 896058743 /nfs/dbraw/zinc/05/87/43/896058743.db2.gz JWQDAEXUIPAZHG-DLBZAZTESA-N 0 3 422.572 4.226 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000481420122 896822996 /nfs/dbraw/zinc/82/29/96/896822996.db2.gz BQRPUXAITNYBOA-FQEVSTJZSA-N 0 3 400.479 4.115 20 5 HIBDHN CCC[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256649 897737903 /nfs/dbraw/zinc/73/79/03/897737903.db2.gz NFEITABSEYCBEG-MOPGFXCFSA-N 0 3 401.532 4.451 20 5 HIBDHN Cn1cc(CN2CCC[C@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482408678 897951739 /nfs/dbraw/zinc/95/17/39/897951739.db2.gz VVWNQRLPZFSCOQ-HSZRJFAPSA-N 0 3 404.470 4.017 20 5 HIBDHN Cc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532016 898119346 /nfs/dbraw/zinc/11/93/46/898119346.db2.gz KCROXCPQZKDTCN-IRXDYDNUSA-N 0 3 400.498 4.206 20 5 HIBDHN CSc1cccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225366 901408860 /nfs/dbraw/zinc/40/88/60/901408860.db2.gz MNQNYHKSPTZLHO-CXAGYDPISA-N 0 3 405.545 4.191 20 5 HIBDHN CSc1cccc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000486559764 901705603 /nfs/dbraw/zinc/70/56/03/901705603.db2.gz UIGVEJMFIQKFJM-SFHVURJKSA-N 0 3 401.532 4.203 20 5 HIBDHN C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000487182100 902089647 /nfs/dbraw/zinc/08/96/47/902089647.db2.gz ABGIIQLVFNYQKH-IIBYNOLFSA-N 0 3 404.470 4.078 20 5 HIBDHN C[C@H](N[C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040722 903146084 /nfs/dbraw/zinc/14/60/84/903146084.db2.gz WIZXNWATSCTONC-LIRRHRJNSA-N 0 3 403.454 4.144 20 5 HIBDHN O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1c1ccccc1F ZINC000489109367 903201273 /nfs/dbraw/zinc/20/12/73/903201273.db2.gz YKTXMQSNMWAVOM-SFHVURJKSA-N 0 3 411.458 4.358 20 5 HIBDHN CC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489917241 903674317 /nfs/dbraw/zinc/67/43/17/903674317.db2.gz WVGABZRDHMMGIM-ZWKOTPCHSA-N 0 3 402.520 4.244 20 5 HIBDHN CCc1cc(N2CCC(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000493128210 905026552 /nfs/dbraw/zinc/02/65/52/905026552.db2.gz JTSKDEZXHBNLIA-XMMPIXPASA-N 0 3 417.513 4.295 20 5 HIBDHN O=C(C1CCC1)N(CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494030460 905371631 /nfs/dbraw/zinc/37/16/31/905371631.db2.gz WIPHUSIBLYMPQM-HSZRJFAPSA-N 0 3 407.514 4.455 20 5 HIBDHN O=C(NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000494064173 905401961 /nfs/dbraw/zinc/40/19/61/905401961.db2.gz FQQBCTNCCHPECH-JOCHJYFZSA-N 0 3 407.445 4.233 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494077273 905415388 /nfs/dbraw/zinc/41/53/88/905415388.db2.gz GUHIAOISCHUCFC-OXQOHEQNSA-N 0 3 413.543 4.488 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(Br)c(F)c1 ZINC000494279586 905602486 /nfs/dbraw/zinc/60/24/86/905602486.db2.gz LXRAHZCNEMXRJY-UHFFFAOYSA-N 0 3 424.270 4.265 20 5 HIBDHN Cc1ccc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000494986899 906151711 /nfs/dbraw/zinc/15/17/11/906151711.db2.gz HDLJYYIMSTWBIX-HSZRJFAPSA-N 0 3 424.522 4.228 20 5 HIBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000496282762 906646701 /nfs/dbraw/zinc/64/67/01/906646701.db2.gz JQSMFIKDGVAOBQ-SFHVURJKSA-N 0 3 420.494 4.343 20 5 HIBDHN O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)c1ccccc1 ZINC000513056693 921513977 /nfs/dbraw/zinc/51/39/77/921513977.db2.gz KIFWFADJDUIWSK-GOSISDBHSA-N 0 3 419.481 4.497 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844243 910118629 /nfs/dbraw/zinc/11/86/29/910118629.db2.gz SBCOHAUSMZAMCS-MAUKXSAKSA-N 0 3 422.510 4.284 20 5 HIBDHN CN(C)C(=O)CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000513409672 921778960 /nfs/dbraw/zinc/77/89/60/921778960.db2.gz XVOGOUIIJCSVPJ-UHFFFAOYSA-N 0 3 405.882 4.199 20 5 HIBDHN CC(C)N(C)C(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000509580922 918230139 /nfs/dbraw/zinc/23/01/39/918230139.db2.gz VBPSWYFBFVCGNY-UHFFFAOYSA-N 0 3 401.532 4.402 20 5 HIBDHN COc1cc(C[NH2+]CC(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1[O-] ZINC000509594576 918245025 /nfs/dbraw/zinc/24/50/25/918245025.db2.gz UQFKCHFMTMQWJV-UHFFFAOYSA-N 0 3 409.280 4.139 20 5 HIBDHN CCOc1cc(CN2CCCC(C)(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000510493726 918942573 /nfs/dbraw/zinc/94/25/73/918942573.db2.gz WXZBIXQEGKULNF-UHFFFAOYSA-N 0 3 416.522 4.199 20 5 HIBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](CN1CCCC1)c1ccccc1 ZINC000510835729 919316799 /nfs/dbraw/zinc/31/67/99/919316799.db2.gz FZMBWPPXVZQAIU-QGZVFWFLSA-N 0 3 420.416 4.155 20 5 HIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H]3COCCO3)cc2[N+](=O)[O-])c1 ZINC000513642542 921967066 /nfs/dbraw/zinc/96/70/66/921967066.db2.gz IFOZDHXQAGAHIU-GOSISDBHSA-N 0 3 400.475 4.324 20 5 HIBDHN CCN(CC)[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761807 922079037 /nfs/dbraw/zinc/07/90/37/922079037.db2.gz OWQDNOGLPHIVJW-FGZHOGPDSA-N 0 3 407.518 4.090 20 5 HIBDHN O=C1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000518280387 927137522 /nfs/dbraw/zinc/13/75/22/927137522.db2.gz JKKWKXFDKNOTCM-LJQANCHMSA-N 0 3 407.495 4.214 20 5 HIBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520106509 928315192 /nfs/dbraw/zinc/31/51/92/928315192.db2.gz ZOPGYHZRDSZTLO-UHFFFAOYSA-N 0 3 401.850 4.198 20 5 HIBDHN Cc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000520951103 928886809 /nfs/dbraw/zinc/88/68/09/928886809.db2.gz PBHVTXRAKRRNBC-QRWLVFNGSA-N 0 3 421.900 4.247 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521587854 929313238 /nfs/dbraw/zinc/31/32/38/929313238.db2.gz JMPYAABJRLJLRQ-FQEVSTJZSA-N 0 3 413.493 4.383 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703995 931166081 /nfs/dbraw/zinc/16/60/81/931166081.db2.gz OWZYLPJEGSWVMA-IAGOWNOFSA-N 0 3 400.498 4.288 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215117 931356210 /nfs/dbraw/zinc/35/62/10/931356210.db2.gz WDYXRAFMHSRSJL-IAGOWNOFSA-N 0 3 400.498 4.206 20 5 HIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNCCc3ncn(C)n3)cc2[N+](=O)[O-])c1 ZINC000532289109 931385814 /nfs/dbraw/zinc/38/58/14/931385814.db2.gz YJUUAPQHRAKSLK-UHFFFAOYSA-N 0 3 409.490 4.280 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000532474523 931452475 /nfs/dbraw/zinc/45/24/75/931452475.db2.gz PNNCCQLJVVRHBI-UHFFFAOYSA-N 0 3 419.428 4.053 20 5 HIBDHN CN(CCOc1ccc(Cl)cc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532910126 931689079 /nfs/dbraw/zinc/68/90/79/931689079.db2.gz HUMQAGIOLFBODD-UHFFFAOYSA-N 0 3 401.850 4.457 20 5 HIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000535555976 933240516 /nfs/dbraw/zinc/24/05/16/933240516.db2.gz MUPOUXUJVKOMBH-JOCHJYFZSA-N 0 3 406.486 4.346 20 5 HIBDHN Cn1cc(CN(CCCO)Cc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535807446 933402897 /nfs/dbraw/zinc/40/28/97/933402897.db2.gz KZPXBPSRWDRWDE-UHFFFAOYSA-N 0 3 414.893 4.033 20 5 HIBDHN O=[N+]([O-])c1cccc(CCNCc2nc(-c3cccc(Br)c3)c[nH]2)c1 ZINC000536093944 933642009 /nfs/dbraw/zinc/64/20/09/933642009.db2.gz CKBLBKBRVHWDSB-UHFFFAOYSA-N 0 3 401.264 4.080 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000538788100 938711647 /nfs/dbraw/zinc/71/16/47/938711647.db2.gz KFOSZFTUPWTTNM-KBPBESRZSA-N 0 3 401.438 4.079 20 5 HIBDHN CC[C@@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000539118932 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ZINC000437935585 863310292 /nfs/dbraw/zinc/31/02/92/863310292.db2.gz SJYOZKHLUHLSOJ-NRFANRHFSA-N 0 3 422.529 4.106 20 5 HIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817283 865134948 /nfs/dbraw/zinc/13/49/48/865134948.db2.gz AWYXEQCLVFGZNZ-HOTGVXAUSA-N 0 3 400.454 4.329 20 5 HIBDHN COCC[C@]1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000447079426 870965620 /nfs/dbraw/zinc/96/56/20/870965620.db2.gz YXGJJQPJHFFDGB-FQEVSTJZSA-N 0 3 406.866 4.326 20 5 HIBDHN COc1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC1CCCC1 ZINC000447531648 871395741 /nfs/dbraw/zinc/39/57/41/871395741.db2.gz SBIUZFCZDHUWNU-RTBURBONSA-N 0 3 414.506 4.395 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000470179229 884464467 /nfs/dbraw/zinc/46/44/67/884464467.db2.gz UTFDIICLJNOJGE-XMHGGMMESA-N 0 3 407.514 4.335 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000474349691 889226101 /nfs/dbraw/zinc/22/61/01/889226101.db2.gz ABBBOXMLRUCEPI-GQNMWPQZSA-N 0 3 418.877 4.287 20 5 HIBDHN COC(=O)COc1ccc(CNC2(c3cccc(Cl)c3)CCCC2)cc1[N+](=O)[O-] ZINC000474366370 889244445 /nfs/dbraw/zinc/24/44/45/889244445.db2.gz NBIVDRMEKDDTQA-UHFFFAOYSA-N 0 3 418.877 4.359 20 5 HIBDHN COC(=O)COc1ccc(CN2CCC(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000475581758 890511981 /nfs/dbraw/zinc/51/19/81/890511981.db2.gz KZNCZRNMSUCCSO-UHFFFAOYSA-N 0 3 423.469 4.008 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000477190859 892114948 /nfs/dbraw/zinc/11/49/48/892114948.db2.gz IMLJJONOODEBFY-IBGZPJMESA-N 0 3 419.909 4.378 20 5 HIBDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232381 892172555 /nfs/dbraw/zinc/17/25/55/892172555.db2.gz JFFZUPUAGLRJRD-CWTRNNRKSA-N 0 3 403.866 4.325 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccc(Br)cc2)CC1 ZINC000477434798 892387104 /nfs/dbraw/zinc/38/71/04/892387104.db2.gz CABNJCSGGCAFDZ-UHFFFAOYSA-N 0 3 418.291 4.273 20 5 HIBDHN Cc1c(NC(=O)CCNC2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000477442538 892392871 /nfs/dbraw/zinc/39/28/71/892392871.db2.gz YVWMAHDBOYGZBZ-UHFFFAOYSA-N 0 3 418.291 4.273 20 5 HIBDHN Cc1c(CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000477753201 892845436 /nfs/dbraw/zinc/84/54/36/892845436.db2.gz ZTHWXUOXVQXUCE-GFCCVEGCSA-N 0 3 411.380 4.309 20 5 HIBDHN Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000481645437 897029772 /nfs/dbraw/zinc/02/97/72/897029772.db2.gz VNRQJOIOTSKHJF-UHFFFAOYSA-N 0 3 416.909 4.339 20 5 HIBDHN CSc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000486486873 901642888 /nfs/dbraw/zinc/64/28/88/901642888.db2.gz KNXXXZHWDMLGMG-UHFFFAOYSA-N 0 3 413.543 4.097 20 5 HIBDHN CC(C)(NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487523288 902232183 /nfs/dbraw/zinc/23/21/83/902232183.db2.gz FQUJWQQOVOIKDM-KRWDZBQOSA-N 0 3 402.520 4.028 20 5 HIBDHN Cc1c(NC(=O)[C@H](C)N[C@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027013 903130596 /nfs/dbraw/zinc/13/05/96/903130596.db2.gz KYIGCMWVPOKLHJ-MGPUTAFESA-N 0 3 417.481 4.453 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000489732349 903566268 /nfs/dbraw/zinc/56/62/68/903566268.db2.gz GILRAVUURVWJQK-QHCPKHFHSA-N 0 3 422.529 4.070 20 5 HIBDHN COc1ccc(Cl)cc1NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490043889 903740395 /nfs/dbraw/zinc/74/03/95/903740395.db2.gz CIZYDKFXJKNBKB-UHFFFAOYSA-N 0 3 403.866 4.250 20 5 HIBDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490049004 903742627 /nfs/dbraw/zinc/74/26/27/903742627.db2.gz VAXIGAWFTCAUJD-IBGZPJMESA-N 0 3 405.882 4.205 20 5 HIBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CCN(C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000493345119 905093352 /nfs/dbraw/zinc/09/33/52/905093352.db2.gz VVWXZARUMMHFDQ-OXQOHEQNSA-N 0 3 411.527 4.221 20 5 HIBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494070119 905409238 /nfs/dbraw/zinc/40/92/38/905409238.db2.gz VBPJHBIAJVOUHC-DYVFJYSZSA-N 0 3 407.392 4.006 20 5 HIBDHN COc1ccc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000513012757 921476830 /nfs/dbraw/zinc/47/68/30/921476830.db2.gz SQGXSDVQZGBUKE-LJQANCHMSA-N 0 3 410.392 4.114 20 5 HIBDHN C[S@](=O)Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000513090504 921541496 /nfs/dbraw/zinc/54/14/96/921541496.db2.gz UZJFLVHFIHSWBH-MHZLTWQESA-N 0 3 400.525 4.492 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500844242 910118955 /nfs/dbraw/zinc/11/89/55/910118955.db2.gz SBCOHAUSMZAMCS-CRAIPNDOSA-N 0 3 422.510 4.284 20 5 HIBDHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501960728 910947323 /nfs/dbraw/zinc/94/73/23/910947323.db2.gz YQCUTHLLVYVWBI-LPHOPBHVSA-N 0 3 406.486 4.374 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C(F)(F)F)cc1 ZINC000502515065 911519571 /nfs/dbraw/zinc/51/95/71/911519571.db2.gz HZVDJWJMMWNLJS-GOSISDBHSA-N 0 3 424.423 4.130 20 5 HIBDHN CCCNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000506686630 915364331 /nfs/dbraw/zinc/36/43/31/915364331.db2.gz HEHTYUWYESXVDX-UHFFFAOYSA-N 0 3 405.882 4.246 20 5 HIBDHN COc1cc(C[NH2+]CC(C)(C)c2cccc(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000508044135 916872257 /nfs/dbraw/zinc/87/22/57/916872257.db2.gz KWGFSHOHTWPEKG-UHFFFAOYSA-N 0 3 409.280 4.139 20 5 HIBDHN CCOc1cc(CN2CCCC2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509593244 918243040 /nfs/dbraw/zinc/24/30/40/918243040.db2.gz OTFUPPZHAIICLY-UHFFFAOYSA-N 0 3 414.458 4.035 20 5 HIBDHN Cn1cc(CN2CCC(Nc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510205974 918755142 /nfs/dbraw/zinc/75/51/42/918755142.db2.gz BBBQALAFHVGUFW-UHFFFAOYSA-N 0 3 409.465 4.211 20 5 HIBDHN C[C@@H]1CN(C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)CCO1 ZINC000510551523 918996689 /nfs/dbraw/zinc/99/66/89/918996689.db2.gz JAPDMYAHFYPIRF-OAHLLOKOSA-N 0 3 419.909 4.193 20 5 HIBDHN C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000511322235 919912724 /nfs/dbraw/zinc/91/27/24/919912724.db2.gz GNKZGQLETOGGMV-CQSZACIVSA-N 0 3 415.877 4.421 20 5 HIBDHN COc1ccc(CN(C)C[C@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511640287 920306198 /nfs/dbraw/zinc/30/61/98/920306198.db2.gz LULWXTCAXHODHJ-HXUWFJFHSA-N 0 3 400.475 4.183 20 5 HIBDHN CC(C)(C)c1ccc(Oc2ccc(CNC[C@@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513612528 921942459 /nfs/dbraw/zinc/94/24/59/921942459.db2.gz BXAXNRTVQFAUNE-LJQANCHMSA-N 0 3 400.475 4.190 20 5 HIBDHN O=C(CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000517537173 924251887 /nfs/dbraw/zinc/25/18/87/924251887.db2.gz KFIYFMIVAMBCMH-UHFFFAOYSA-N 0 3 415.465 4.455 20 5 HIBDHN COc1cc(CN[C@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000517551147 924261555 /nfs/dbraw/zinc/26/15/55/924261555.db2.gz AGLRLCXPPLMKGX-VQIMIIECSA-N 0 3 400.475 4.230 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000518450765 927282707 /nfs/dbraw/zinc/28/27/07/927282707.db2.gz UBJYYGLIIUOUDM-MRXNPFEDSA-N 0 3 405.445 4.026 20 5 HIBDHN Cc1ccc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1[N+](=O)[O-] ZINC000519675284 928048013 /nfs/dbraw/zinc/04/80/13/928048013.db2.gz YIUFNLBNTRFJQG-UHFFFAOYSA-N 0 3 406.364 4.348 20 5 HIBDHN CC[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N(C)C ZINC000531709659 931169195 /nfs/dbraw/zinc/16/91/95/931169195.db2.gz MTEUCRYVPZEDLT-INIZCTEOSA-N 0 3 409.845 4.136 20 5 HIBDHN C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531727958 931175014 /nfs/dbraw/zinc/17/50/14/931175014.db2.gz HRSSPAZJCMGATN-AWEZNQCLSA-N 0 3 411.483 4.038 20 5 HIBDHN O=C(c1ccc([N+](=O)[O-])cn1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000532392567 931420770 /nfs/dbraw/zinc/42/07/70/931420770.db2.gz FVLNIIVTGSMWBV-UHFFFAOYSA-N 0 3 423.300 4.035 20 5 HIBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c(C)c1 ZINC000533227720 931814661 /nfs/dbraw/zinc/81/46/61/931814661.db2.gz IXEQMMPOZSFYPV-UHFFFAOYSA-N 0 3 423.513 4.444 20 5 HIBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513689 931890554 /nfs/dbraw/zinc/89/05/54/931890554.db2.gz OQQJCZHVGFVURT-RBZFPXEDSA-N 0 3 401.438 4.201 20 5 HIBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000534541282 932553295 /nfs/dbraw/zinc/55/32/95/932553295.db2.gz JHFPWSZQTQNHIT-QGZVFWFLSA-N 0 3 417.893 4.081 20 5 HIBDHN C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562925879 945152992 /nfs/dbraw/zinc/15/29/92/945152992.db2.gz GMUKNOOSCLWBLU-VQIMIIECSA-N 0 3 401.532 4.349 20 5 HIBDHN CCC1(CO)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000537617161 938334947 /nfs/dbraw/zinc/33/49/47/938334947.db2.gz SSGSFGXHUYBDAS-UHFFFAOYSA-N 0 3 414.502 4.167 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537646612 938345205 /nfs/dbraw/zinc/34/52/05/938345205.db2.gz DUULYDHBJRWCDM-CTEOGUNLSA-N 0 3 413.440 4.121 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537646542 938345541 /nfs/dbraw/zinc/34/55/41/938345541.db2.gz DUULYDHBJRWCDM-AFCDSYGPSA-N 0 3 413.440 4.121 20 5 HIBDHN Cc1ccc([C@@H](C)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000537954580 938431610 /nfs/dbraw/zinc/43/16/10/938431610.db2.gz NLRNFKFIMHLWJU-GFCCVEGCSA-N 0 3 416.279 4.302 20 5 HIBDHN CC(C)(C)[C@@H](COc1ccccc1F)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000539492361 938867945 /nfs/dbraw/zinc/86/79/45/938867945.db2.gz RIEGWJPVXIPLJY-LJQANCHMSA-N 0 3 404.438 4.184 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000542258502 939774594 /nfs/dbraw/zinc/77/45/94/939774594.db2.gz GAMDYFMUXJGSQF-HXUWFJFHSA-N 0 3 406.479 4.029 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000543139190 939966315 /nfs/dbraw/zinc/96/63/15/939966315.db2.gz BIFHPNBXWLKMCG-MRXNPFEDSA-N 0 3 410.392 4.018 20 5 HIBDHN CC(C)([C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543411867 940057549 /nfs/dbraw/zinc/05/75/49/940057549.db2.gz PHMTUOBSALENPR-OAQYLSRUSA-N 0 3 417.456 4.147 20 5 HIBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544443305 940433233 /nfs/dbraw/zinc/43/32/33/940433233.db2.gz GEHZZKMAIQFPGU-AWEZNQCLSA-N 0 3 407.873 4.081 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000544464613 940442320 /nfs/dbraw/zinc/44/23/20/940442320.db2.gz WRZXZQSYRIGSFG-BTYIYWSLSA-N 0 3 417.481 4.045 20 5 HIBDHN Cc1c(Cc2noc(-c3ccc(CN4CCSCC4)cc3)n2)cccc1[N+](=O)[O-] ZINC000547194513 941027768 /nfs/dbraw/zinc/02/77/68/941027768.db2.gz KIGXECPUEDEKSD-UHFFFAOYSA-N 0 3 410.499 4.093 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000547287804 941052586 /nfs/dbraw/zinc/05/25/86/941052586.db2.gz UEJIEJJYEBVSBC-GOSISDBHSA-N 0 3 407.511 4.272 20 5 HIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000552058123 941575972 /nfs/dbraw/zinc/57/59/72/941575972.db2.gz WOHKCALJMFRVID-MOXGXCLJSA-N 0 3 417.893 4.128 20 5 HIBDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000553852156 941983317 /nfs/dbraw/zinc/98/33/17/941983317.db2.gz AQTCXPJEGBDLCA-IAGOWNOFSA-N 0 3 400.422 4.032 20 5 HIBDHN Cc1ccc([C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000556868849 942944714 /nfs/dbraw/zinc/94/47/14/942944714.db2.gz XAVYAVUIIRLIER-XZOQPEGZSA-N 0 3 419.529 4.153 20 5 HIBDHN Cn1ccnc1[C@@H](Nc1cccc(CN2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000556896266 942956467 /nfs/dbraw/zinc/95/64/67/942956467.db2.gz YCDMPAIMSUONNH-NRFANRHFSA-N 0 3 423.542 4.079 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000558226482 943445905 /nfs/dbraw/zinc/44/59/05/943445905.db2.gz OHWJSFFQZWPTDG-LJQANCHMSA-N 0 3 420.897 4.460 20 5 HIBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764381 944786792 /nfs/dbraw/zinc/78/67/92/944786792.db2.gz JEODSCWPBROCLU-YZZKKUAISA-N 0 3 422.529 4.009 20 5 HIBDHN Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000565338154 945815980 /nfs/dbraw/zinc/81/59/80/945815980.db2.gz FWXYDYDKGWQPEB-GOSISDBHSA-N 0 3 410.518 4.176 20 5 HIBDHN CSc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000572074330 947839958 /nfs/dbraw/zinc/83/99/58/947839958.db2.gz RFENDUFSODMJIP-IFXJQAMLSA-N 0 3 419.572 4.216 20 5 HIBDHN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164626069 719066055 /nfs/dbraw/zinc/06/60/55/719066055.db2.gz NZWGMGHPNLCRGS-NVXWUHKLSA-N 0 3 422.863 4.289 20 5 HIBDHN COc1ccc(NC(=O)CCNC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000026219220 847104958 /nfs/dbraw/zinc/10/49/58/847104958.db2.gz JUGJRYLXEDLQET-UHFFFAOYSA-N 0 3 405.454 4.311 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000029174345 847520951 /nfs/dbraw/zinc/52/09/51/847520951.db2.gz VYLUDGVNDCALAY-OAQYLSRUSA-N 0 3 413.543 4.129 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000030152815 847682687 /nfs/dbraw/zinc/68/26/87/847682687.db2.gz TWKYONDORCUVJG-KSSFIOAISA-N 0 3 413.474 4.313 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000049790423 849330020 /nfs/dbraw/zinc/33/00/20/849330020.db2.gz JWWMAGLPKXACBS-IBGZPJMESA-N 0 3 416.547 4.271 20 5 HIBDHN Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000051132546 849434755 /nfs/dbraw/zinc/43/47/55/849434755.db2.gz BMZQABQADFUMLT-LQBOVUBWSA-N 0 3 411.502 4.330 20 5 HIBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000054295167 849842017 /nfs/dbraw/zinc/84/20/17/849842017.db2.gz JDFOGWCHYZFTBR-UHFFFAOYSA-N 0 3 409.486 4.135 20 5 HIBDHN O=C(NCCN1CCCCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000060665923 851182925 /nfs/dbraw/zinc/18/29/25/851182925.db2.gz DQFBQDVZOJTLBH-UHFFFAOYSA-N 0 3 416.909 4.076 20 5 HIBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065940009 852329525 /nfs/dbraw/zinc/32/95/25/852329525.db2.gz IVXLFMTWEYLRBV-UHFFFAOYSA-N 0 3 401.463 4.153 20 5 HIBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000195725270 853779452 /nfs/dbraw/zinc/77/94/52/853779452.db2.gz SNQNQFVBFGNVOM-UHFFFAOYSA-N 0 3 411.289 4.497 20 5 HIBDHN COc1ccc(-c2ccc(CNCc3ccc(F)c(CN(C)C)c3)o2)c([N+](=O)[O-])c1 ZINC000237432328 854032323 /nfs/dbraw/zinc/03/23/23/854032323.db2.gz XIYIEVDVSNQQMP-UHFFFAOYSA-N 0 3 413.449 4.354 20 5 HIBDHN Cn1cc(CNCc2cccc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933232 854121666 /nfs/dbraw/zinc/12/16/66/854121666.db2.gz SAEYKRQYDLOLEO-UHFFFAOYSA-N 0 3 401.264 4.048 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccc(CO)c2)cc1 ZINC000237991901 854129724 /nfs/dbraw/zinc/12/97/24/854129724.db2.gz JVTXFQUKMCWPQB-UHFFFAOYSA-N 0 3 414.465 4.230 20 5 HIBDHN Cc1ccnc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000303683959 855130655 /nfs/dbraw/zinc/13/06/55/855130655.db2.gz KYSSHIZXMBKCAO-UHFFFAOYSA-N 0 3 417.513 4.233 20 5 HIBDHN COc1ccc(Oc2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cc1 ZINC000425970611 856023373 /nfs/dbraw/zinc/02/33/73/856023373.db2.gz HMIOLMLEASNJSM-UHFFFAOYSA-N 0 3 408.458 4.429 20 5 HIBDHN CC[C@@H]1CN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000467554089 881375626 /nfs/dbraw/zinc/37/56/26/881375626.db2.gz NVYXZWFGBCEKPW-HXUWFJFHSA-N 0 3 400.475 4.183 20 5 HIBDHN CC1(C)C[C@H](NCc2ccc(Cn3ccccc3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433174316 859554176 /nfs/dbraw/zinc/55/41/76/859554176.db2.gz MYHDGXYCIYRKMX-QFIPXVFZSA-N 0 3 403.482 4.317 20 5 HIBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178950 859556431 /nfs/dbraw/zinc/55/64/31/859556431.db2.gz SIPUDTAOJIKGPX-OYHNWAKOSA-N 0 3 423.513 4.325 20 5 HIBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435032046 860607814 /nfs/dbraw/zinc/60/78/14/860607814.db2.gz CCFZCUKTTDIUTF-NWDGAFQWSA-N 0 3 423.263 4.049 20 5 HIBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435271614 860711325 /nfs/dbraw/zinc/71/13/25/860711325.db2.gz XXXCTKSRCLDGNW-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN CCc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435381618 860778282 /nfs/dbraw/zinc/77/82/82/860778282.db2.gz VBNDCPVFEXKJJU-HXUWFJFHSA-N 0 3 419.485 4.053 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000437926143 863302193 /nfs/dbraw/zinc/30/21/93/863302193.db2.gz MBKJIFLHAOMSSP-FQEVSTJZSA-N 0 3 416.547 4.413 20 5 HIBDHN CC(C)(CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000438008455 863368705 /nfs/dbraw/zinc/36/87/05/863368705.db2.gz SBTLOJJAQLQNRF-UHFFFAOYSA-N 0 3 422.529 4.106 20 5 HIBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1O ZINC000438337318 863810731 /nfs/dbraw/zinc/81/07/31/863810731.db2.gz XVJMLPPYPKFNBW-QGZVFWFLSA-N 0 3 409.280 4.210 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000438955837 864426666 /nfs/dbraw/zinc/42/66/66/864426666.db2.gz VCNFTOKIPAXPAU-OAQYLSRUSA-N 0 3 401.894 4.341 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2noc([C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)n2)s1 ZINC000445480452 869553214 /nfs/dbraw/zinc/55/32/14/869553214.db2.gz ZBAQBLGCYWGZMP-KRWDZBQOSA-N 0 3 424.404 4.412 20 5 HIBDHN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(C2CCCCC2)CC1 ZINC000447686450 871618674 /nfs/dbraw/zinc/61/86/74/871618674.db2.gz QLYHFWSLLQHMER-UHFFFAOYSA-N 0 3 408.371 4.099 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000460855782 873756278 /nfs/dbraw/zinc/75/62/78/873756278.db2.gz KYHVXGZTKNZVFJ-IBGZPJMESA-N 0 3 423.435 4.355 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)NCc2ccco2)c1 ZINC000468650765 882787208 /nfs/dbraw/zinc/78/72/08/882787208.db2.gz IJKBNPYQMKMCAS-BOPFTXTBSA-N 0 3 405.454 4.311 20 5 HIBDHN Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461962394 875088567 /nfs/dbraw/zinc/08/85/67/875088567.db2.gz YYIHRCFUWFEWDI-KXBFYZLASA-N 0 3 408.424 4.446 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000462752493 875818483 /nfs/dbraw/zinc/81/84/83/875818483.db2.gz AKPNUTNRVGMFFG-PKOBYXMFSA-N 0 3 401.532 4.178 20 5 HIBDHN COc1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000462923060 875951479 /nfs/dbraw/zinc/95/14/79/875951479.db2.gz KCGYBRKVJQGOFS-UHFFFAOYSA-N 0 3 409.408 4.335 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161219 876215384 /nfs/dbraw/zinc/21/53/84/876215384.db2.gz MXFZTKUMMICTHI-CZUORRHYSA-N 0 3 407.392 4.179 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000463578658 876677797 /nfs/dbraw/zinc/67/77/97/876677797.db2.gz VLOYDRMAYDYKEX-LJQANCHMSA-N 0 3 421.419 4.489 20 5 HIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000463946533 877068140 /nfs/dbraw/zinc/06/81/40/877068140.db2.gz ALDOOPBLMVQTRN-UHFFFAOYSA-N 0 3 406.433 4.086 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000470163262 884437537 /nfs/dbraw/zinc/43/75/37/884437537.db2.gz KQDVOJPSYDJRFC-LJQANCHMSA-N 0 3 401.532 4.203 20 5 HIBDHN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000471547778 886256805 /nfs/dbraw/zinc/25/68/05/886256805.db2.gz OEANJURMXMKRSO-YJYMSZOUSA-N 0 3 407.923 4.148 20 5 HIBDHN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000471947078 886748882 /nfs/dbraw/zinc/74/88/82/886748882.db2.gz PUMYLOTZXURMAV-RDJZCZTQSA-N 0 3 408.380 4.181 20 5 HIBDHN CC[C@H](NC(=O)Nc1cccc(N2CCN(CC)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000473837418 888676504 /nfs/dbraw/zinc/67/65/04/888676504.db2.gz SEMCRTKGBISRPU-NRFANRHFSA-N 0 3 411.506 4.010 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H]2CCCc3ccc(C(C)C)cc32)cc1[N+](=O)[O-] ZINC000474007640 888866058 /nfs/dbraw/zinc/86/60/58/888866058.db2.gz JBISZSOYPHUXOQ-FQEVSTJZSA-N 0 3 412.486 4.437 20 5 HIBDHN COC(=O)COc1ccc(CNCc2cccc(-c3ccc(C)cc3)c2)cc1[N+](=O)[O-] ZINC000474355859 889233766 /nfs/dbraw/zinc/23/37/66/889233766.db2.gz TXCUBVVLZBMBOJ-UHFFFAOYSA-N 0 3 420.465 4.412 20 5 HIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000475643627 890585747 /nfs/dbraw/zinc/58/57/47/890585747.db2.gz XFLWMRWZZPJGSG-UHFFFAOYSA-N 0 3 406.433 4.086 20 5 HIBDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232378 892172135 /nfs/dbraw/zinc/17/21/35/892172135.db2.gz JFFZUPUAGLRJRD-BUXKBTBVSA-N 0 3 403.866 4.325 20 5 HIBDHN Cc1c(CN[C@H](C)CC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000478517363 893824713 /nfs/dbraw/zinc/82/47/13/893824713.db2.gz RDSJIFJIPCIADJ-GFCCVEGCSA-N 0 3 406.280 4.173 20 5 HIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)CC)s1 ZINC000479446741 894763586 /nfs/dbraw/zinc/76/35/86/894763586.db2.gz OIDYMKWLIIAMSV-CYBMUJFWSA-N 0 3 414.574 4.110 20 5 HIBDHN CCN1CCN(c2ccccc2NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000482546441 898135152 /nfs/dbraw/zinc/13/51/52/898135152.db2.gz CGFZOHGMMQDUHE-UHFFFAOYSA-N 0 3 423.542 4.472 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000485757038 901014795 /nfs/dbraw/zinc/01/47/95/901014795.db2.gz ROQGUMVSXWYDMD-UHFFFAOYSA-N 0 3 414.531 4.019 20 5 HIBDHN CSc1cccc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225367 901408675 /nfs/dbraw/zinc/40/86/75/901408675.db2.gz MNQNYHKSPTZLHO-DYVFJYSZSA-N 0 3 405.545 4.191 20 5 HIBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486450960 901610498 /nfs/dbraw/zinc/61/04/98/901610498.db2.gz LRWKAVPNEYYLBY-CXAJTEIHSA-N 0 3 417.469 4.107 20 5 HIBDHN C[C@@H](N[C@@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040720 903145059 /nfs/dbraw/zinc/14/50/59/903145059.db2.gz WIZXNWATSCTONC-KUHUBIRLSA-N 0 3 403.454 4.144 20 5 HIBDHN CN1CCC(N(Cc2ccccc2)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000489564454 903467909 /nfs/dbraw/zinc/46/79/09/903467909.db2.gz YFFSNOOPEMUSIY-UHFFFAOYSA-N 0 3 424.545 4.224 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000489617327 903499485 /nfs/dbraw/zinc/49/94/85/903499485.db2.gz AVMIGVKEASIPHG-JOCHJYFZSA-N 0 3 408.502 4.044 20 5 HIBDHN CCc1cc(N2CCC(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000493128209 905026694 /nfs/dbraw/zinc/02/66/94/905026694.db2.gz JTSKDEZXHBNLIA-DEOSSOPVSA-N 0 3 417.513 4.295 20 5 HIBDHN Cc1cc(N2CCC(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000493249399 905067256 /nfs/dbraw/zinc/06/72/56/905067256.db2.gz PVCMECKDAFBNRL-DEOSSOPVSA-N 0 3 417.513 4.350 20 5 HIBDHN O=C1COc2ccccc2N1CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494005284 905346402 /nfs/dbraw/zinc/34/64/02/905346402.db2.gz XDQQMRUCXFFQFE-DEOSSOPVSA-N 0 3 417.465 4.090 20 5 HIBDHN COc1ccccc1NC(=O)C[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494452681 905735483 /nfs/dbraw/zinc/73/54/83/905735483.db2.gz OSNYNDHMTSQBCO-GFCCVEGCSA-N 0 3 411.380 4.129 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)N(C)C)cc1 ZINC000499167882 908520579 /nfs/dbraw/zinc/52/05/79/908520579.db2.gz MYBCIXKTNAMHFC-LJQANCHMSA-N 0 3 410.499 4.059 20 5 HIBDHN Cc1cc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)on1 ZINC000512977611 921451096 /nfs/dbraw/zinc/45/10/96/921451096.db2.gz OWIOGOVIHKUDFN-UHFFFAOYSA-N 0 3 406.236 4.246 20 5 HIBDHN CCN(CC)[C@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccsc1 ZINC000513171091 921598083 /nfs/dbraw/zinc/59/80/83/921598083.db2.gz MCZMSDGFWFDDBG-LJQANCHMSA-N 0 3 404.536 4.290 20 5 HIBDHN COc1cc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1[N+](=O)[O-] ZINC000513173192 921599719 /nfs/dbraw/zinc/59/97/19/921599719.db2.gz JGADXSWLDDLFEV-IBGZPJMESA-N 0 3 410.392 4.114 20 5 HIBDHN C[C@@H](NCC1(c2c(F)cccc2F)CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501980018 910962094 /nfs/dbraw/zinc/96/20/94/910962094.db2.gz HUULYIWIWQQHHA-CQSZACIVSA-N 0 3 403.429 4.302 20 5 HIBDHN Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000506323576 914926041 /nfs/dbraw/zinc/92/60/41/914926041.db2.gz AQMNXRGWUVUMSZ-UHFFFAOYSA-N 0 3 424.545 4.350 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000513380667 921753004 /nfs/dbraw/zinc/75/30/04/921753004.db2.gz KGJUJPWLRGKZIT-SFHVURJKSA-N 0 3 423.307 4.008 20 5 HIBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507126277 915880481 /nfs/dbraw/zinc/88/04/81/915880481.db2.gz KSOSMOHMDUWCBC-UHFFFAOYSA-N 0 3 407.470 4.122 20 5 HIBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507928162 916803506 /nfs/dbraw/zinc/80/35/06/916803506.db2.gz BTZXXNCRYSVGBL-MRXNPFEDSA-N 0 3 401.532 4.449 20 5 HIBDHN CN(c1ccccc1)c1ccc(CNCCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000507947560 916810601 /nfs/dbraw/zinc/81/06/01/916810601.db2.gz ZBJWRYUMRQQZGK-UHFFFAOYSA-N 0 3 418.497 4.159 20 5 HIBDHN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1)N(C)C ZINC000508848207 917600564 /nfs/dbraw/zinc/60/05/64/917600564.db2.gz OVIFLNOUINQRAP-SJCJKPOMSA-N 0 3 408.405 4.009 20 5 HIBDHN CC[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCc2ccccc2C1 ZINC000509296941 917977072 /nfs/dbraw/zinc/97/70/72/917977072.db2.gz RINGTHIWEIQPTC-JOCHJYFZSA-N 0 3 424.545 4.352 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000509374441 918038422 /nfs/dbraw/zinc/03/84/22/918038422.db2.gz UVXSIIRYYXLFKQ-IBGZPJMESA-N 0 3 416.547 4.413 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000509605449 918253258 /nfs/dbraw/zinc/25/32/58/918253258.db2.gz YWTYKXBQQIIAOO-UHFFFAOYSA-N 0 3 403.910 4.401 20 5 HIBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000510835728 919315894 /nfs/dbraw/zinc/31/58/94/919315894.db2.gz FZMBWPPXVZQAIU-KRWDZBQOSA-N 0 3 420.416 4.155 20 5 HIBDHN NC(=O)c1ccc(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000511103627 919710214 /nfs/dbraw/zinc/71/02/14/919710214.db2.gz CXGAEHNNKWURCF-HNNXBMFYSA-N 0 3 407.392 4.092 20 5 HIBDHN CCN(Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C[C@H]1CCCO1 ZINC000511495158 920106192 /nfs/dbraw/zinc/10/61/92/920106192.db2.gz NAUNYUZFPIEFPA-HXUWFJFHSA-N 0 3 400.475 4.183 20 5 HIBDHN COc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511526130 920144565 /nfs/dbraw/zinc/14/45/65/920144565.db2.gz ZLCUTFAQQZMVTK-UHFFFAOYSA-N 0 3 422.485 4.285 20 5 HIBDHN CCN(CC)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513763517 922082841 /nfs/dbraw/zinc/08/28/41/922082841.db2.gz YTJQDMBIKHDSJQ-VXKWHMMOSA-N 0 3 407.518 4.090 20 5 HIBDHN CC1CCN([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000516551660 923790974 /nfs/dbraw/zinc/79/09/74/923790974.db2.gz JITKABSPPHGKEQ-JOCHJYFZSA-N 0 3 410.518 4.209 20 5 HIBDHN COc1cc(C[NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000518302836 927164248 /nfs/dbraw/zinc/16/42/48/927164248.db2.gz NOJLUTHJNDIHER-SFHVURJKSA-N 0 3 419.909 4.107 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000518522760 927326113 /nfs/dbraw/zinc/32/61/13/927326113.db2.gz MHWSKQRXWLKVGV-IBGZPJMESA-N 0 3 420.897 4.461 20 5 HIBDHN Cc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000520951100 928886615 /nfs/dbraw/zinc/88/66/15/928886615.db2.gz PBHVTXRAKRRNBC-FOIQADDNSA-N 0 3 421.900 4.247 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000524644582 929756009 /nfs/dbraw/zinc/75/60/09/929756009.db2.gz PNSAQYOUZYHECN-SCLBCKFNSA-N 0 3 405.545 4.191 20 5 HIBDHN CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677201 931148026 /nfs/dbraw/zinc/14/80/26/931148026.db2.gz KGHCRVGQDIFSAX-IERDGZPVSA-N 0 3 419.547 4.427 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000532473488 931452701 /nfs/dbraw/zinc/45/27/01/931452701.db2.gz XIIMRWLVTINMHS-UHFFFAOYSA-N 0 3 419.428 4.053 20 5 HIBDHN C[C@@](O)(CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000534829554 932798050 /nfs/dbraw/zinc/79/80/50/932798050.db2.gz NXQLPAUXPYTTPP-MRXNPFEDSA-N 0 3 404.772 4.443 20 5 HIBDHN COc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537624069 938337085 /nfs/dbraw/zinc/33/70/85/938337085.db2.gz PLWUKIKJJSOICH-UHFFFAOYSA-N 0 3 422.485 4.285 20 5 HIBDHN Cc1ccc([C@H](C)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000537954581 938431159 /nfs/dbraw/zinc/43/11/59/938431159.db2.gz NLRNFKFIMHLWJU-LBPRGKRZSA-N 0 3 416.279 4.302 20 5 HIBDHN Cc1ccc([C@H](C)NCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000538001497 938458082 /nfs/dbraw/zinc/45/80/82/938458082.db2.gz ALULUFBQZIALEC-INIZCTEOSA-N 0 3 422.485 4.316 20 5 HIBDHN Cc1ccc([C@@H](C)NCc2c(Cl)cccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000539103367 938803508 /nfs/dbraw/zinc/80/35/08/938803508.db2.gz ABNJJNOBBXZOOJ-MRXNPFEDSA-N 0 3 402.926 4.159 20 5 HIBDHN CC[C@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000539118931 938805472 /nfs/dbraw/zinc/80/54/72/938805472.db2.gz LFYSTAHPOKWBPN-INIZCTEOSA-N 0 3 416.279 4.383 20 5 HIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-n2cccn2)c1 ZINC000539286651 938833941 /nfs/dbraw/zinc/83/39/41/938833941.db2.gz GBCOPENEGOBRHI-KGLIPLIRSA-N 0 3 413.865 4.112 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCCN(c4ncccn4)C3)o2)c(Cl)c1 ZINC000539427921 938859169 /nfs/dbraw/zinc/85/91/69/938859169.db2.gz AEANCLNFWRRZLS-CQSZACIVSA-N 0 3 413.865 4.057 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000540423570 939243346 /nfs/dbraw/zinc/24/33/46/939243346.db2.gz AOERRKTWFHQBRR-UHFFFAOYSA-N 0 3 403.866 4.254 20 5 HIBDHN COc1cc(CN2CCC(CCCO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541246073 939487441 /nfs/dbraw/zinc/48/74/41/939487441.db2.gz GKURHIHAVSKODS-UHFFFAOYSA-N 0 3 414.502 4.167 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000542311936 939795814 /nfs/dbraw/zinc/79/58/14/939795814.db2.gz YCNNURQJGMPNOB-UHFFFAOYSA-N 0 3 422.363 4.108 20 5 HIBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580789 940117907 /nfs/dbraw/zinc/11/79/07/940117907.db2.gz FJNWHOUTFLGMEK-KUHUBIRLSA-N 0 3 403.548 4.090 20 5 HIBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543580786 940118028 /nfs/dbraw/zinc/11/80/28/940118028.db2.gz FJNWHOUTFLGMEK-IFXJQAMLSA-N 0 3 403.548 4.090 20 5 HIBDHN COc1cc(CNC[C@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543621209 940135527 /nfs/dbraw/zinc/13/55/27/940135527.db2.gz JALUMZHCFSMODF-JTQLQIEISA-N 0 3 419.425 4.203 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000543620781 940135908 /nfs/dbraw/zinc/13/59/08/940135908.db2.gz MWDMPSMEPGDSST-GOSISDBHSA-N 0 3 411.506 4.135 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2noc([C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)n2)cc1 ZINC000544931973 940526378 /nfs/dbraw/zinc/52/63/78/940526378.db2.gz YQUILLIPWASHGI-LJQANCHMSA-N 0 3 418.375 4.351 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(CCOCC4)CC3)o2)c(Cl)c1 ZINC000546717866 940872260 /nfs/dbraw/zinc/87/22/60/940872260.db2.gz XRJTVXWNVUBUNC-UHFFFAOYSA-N 0 3 406.866 4.280 20 5 HIBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547233605 941039995 /nfs/dbraw/zinc/03/99/95/941039995.db2.gz GWPLOZJWPUUTGQ-KRWDZBQOSA-N 0 3 413.493 4.135 20 5 HIBDHN O=[N+]([O-])c1ccccc1CCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000548395183 941099633 /nfs/dbraw/zinc/09/96/33/941099633.db2.gz GFSSSDQBWBTLFH-UHFFFAOYSA-N 0 3 401.264 4.080 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N2CCCC2)cc1 ZINC000549886598 941228365 /nfs/dbraw/zinc/22/83/65/941228365.db2.gz UZNRMFXQOQVBGN-LJQANCHMSA-N 0 3 421.419 4.489 20 5 HIBDHN CC(C)(C(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000550077631 941280725 /nfs/dbraw/zinc/28/07/25/941280725.db2.gz VJAQVKGUTMPGBN-UHFFFAOYSA-N 0 3 409.530 4.040 20 5 HIBDHN CSc1ccc([C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 ZINC000550322741 941314706 /nfs/dbraw/zinc/31/47/06/941314706.db2.gz JOPAKYZYMMQTMC-KRWDZBQOSA-N 0 3 411.474 4.311 20 5 HIBDHN CSc1ccc([C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 ZINC000550322743 941314731 /nfs/dbraw/zinc/31/47/31/941314731.db2.gz JOPAKYZYMMQTMC-QGZVFWFLSA-N 0 3 411.474 4.311 20 5 HIBDHN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000550713399 941357825 /nfs/dbraw/zinc/35/78/25/941357825.db2.gz DEGNGVOSJDNIJP-ZDUSSCGKSA-N 0 3 412.412 4.002 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000552167596 941595988 /nfs/dbraw/zinc/59/59/88/941595988.db2.gz AYYFWVSLANKIFD-OAQYLSRUSA-N 0 3 413.518 4.079 20 5 HIBDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911759 941802070 /nfs/dbraw/zinc/80/20/70/941802070.db2.gz OOHVFNGPGOSCCT-DGCLKSJQSA-N 0 3 413.421 4.137 20 5 HIBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC000554015218 942019519 /nfs/dbraw/zinc/01/95/19/942019519.db2.gz RWRRXUFADWIUDV-IBGZPJMESA-N 0 3 411.458 4.161 20 5 HIBDHN Cn1cc(CNCc2ccc(OC(F)F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555619584 942673149 /nfs/dbraw/zinc/67/31/49/942673149.db2.gz XYMFONZUFOVOCY-UHFFFAOYSA-N 0 3 406.364 4.026 20 5 HIBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000556615399 942917380 /nfs/dbraw/zinc/91/73/80/942917380.db2.gz WOTMBYNSFSUPKW-ZFWWWQNUSA-N 0 3 407.392 4.006 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccncc2OCc2ccccc2)n1 ZINC000556912363 942963356 /nfs/dbraw/zinc/96/33/56/942963356.db2.gz RHPLADUMQUGOIA-WOJBJXKFSA-N 0 3 407.474 4.039 20 5 HIBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1c(Cl)cccc1N1CCOCC1 ZINC000559294725 943891448 /nfs/dbraw/zinc/89/14/48/943891448.db2.gz WDPIHAAVAUYSAX-UHFFFAOYSA-N 0 3 410.301 4.071 20 5 HIBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H](C)C1 ZINC000561764370 944787242 /nfs/dbraw/zinc/78/72/42/944787242.db2.gz JEODSCWPBROCLU-BSRJHKFKSA-N 0 3 422.529 4.009 20 5 HIBDHN O=C1[C@@H](N[C@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384084 945821068 /nfs/dbraw/zinc/82/10/68/945821068.db2.gz GEBBIIKAKCBDRF-VQTJNVASSA-N 0 3 407.495 4.335 20 5 HIBDHN COc1ccc(CN2CC[C@@H](COC(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568565614 946601550 /nfs/dbraw/zinc/60/15/50/946601550.db2.gz WOUQNXSNMXARBH-QGZVFWFLSA-N 0 3 422.428 4.244 20 5 HIBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000570422359 947236876 /nfs/dbraw/zinc/23/68/76/947236876.db2.gz SXABXAPCTCYKPA-RISCZKNCSA-N 0 3 412.393 4.040 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)s2)cc1 ZINC000570485282 947264298 /nfs/dbraw/zinc/26/42/98/947264298.db2.gz VIUQLGRYYGVEAA-CJNGLKHVSA-N 0 3 400.422 4.316 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288548 948146513 /nfs/dbraw/zinc/14/65/13/948146513.db2.gz UOHHFPXSMNWBKX-CXAGYDPISA-N 0 3 400.422 4.459 20 5 HIBDHN Cc1cccc(N2CCN(CCCNc3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 ZINC000025579019 847005256 /nfs/dbraw/zinc/00/52/56/847005256.db2.gz VMRXTAWUJMOSLL-UHFFFAOYSA-N 0 3 405.502 4.076 20 5 HIBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000031232817 847847945 /nfs/dbraw/zinc/84/79/45/847847945.db2.gz HZZJRXLTTYQKJX-CALCHBBNSA-N 0 3 410.518 4.391 20 5 HIBDHN CCN(CC)[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 ZINC000060159932 851047194 /nfs/dbraw/zinc/04/71/94/851047194.db2.gz CXKNCQFTJOXHPV-NRFANRHFSA-N 0 3 421.501 4.054 20 5 HIBDHN O=C(CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000060482674 851115080 /nfs/dbraw/zinc/11/50/80/851115080.db2.gz MELHUBZEVVULNZ-UHFFFAOYSA-N 0 3 415.877 4.172 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000065121948 852072154 /nfs/dbraw/zinc/07/21/54/852072154.db2.gz OHRRRFBNDOTXHM-IBGZPJMESA-N 0 3 423.435 4.355 20 5 HIBDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000150248112 853641792 /nfs/dbraw/zinc/64/17/92/853641792.db2.gz VDFDEFZGIDFYQF-FQEVSTJZSA-N 0 3 413.474 4.086 20 5 HIBDHN COC(=O)/C=C\c1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000212672862 853821577 /nfs/dbraw/zinc/82/15/77/853821577.db2.gz VRARZKKYIALEPW-CNRGFGOASA-N 0 3 401.488 4.092 20 5 HIBDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000217108861 853860292 /nfs/dbraw/zinc/86/02/92/853860292.db2.gz OUDVVSHMUOEAIC-BLVKFPJESA-N 0 3 403.866 4.325 20 5 HIBDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000217108828 853860469 /nfs/dbraw/zinc/86/04/69/853860469.db2.gz OUDVVSHMUOEAIC-BUXKBTBVSA-N 0 3 403.866 4.325 20 5 HIBDHN COc1cccc([C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)c1 ZINC000237290356 853999018 /nfs/dbraw/zinc/99/90/18/853999018.db2.gz WJNTZDKNRLJECG-HXUWFJFHSA-N 0 3 412.515 4.119 20 5 HIBDHN Cc1nn(-c2ccccc2)cc1CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000237895058 854115792 /nfs/dbraw/zinc/11/57/92/854115792.db2.gz LBVLQMNPRQWNFZ-UHFFFAOYSA-N 0 3 416.428 4.413 20 5 HIBDHN Cn1cc(CNCc2ccc(OCC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933018 854121731 /nfs/dbraw/zinc/12/17/31/854121731.db2.gz YQBQCEZQIYMSRC-UHFFFAOYSA-N 0 3 420.391 4.226 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccccc2N2CCOCC2)s1 ZINC000237960207 854126292 /nfs/dbraw/zinc/12/62/92/854126292.db2.gz LNNKJOYVMOAMSV-UHFFFAOYSA-N 0 3 409.511 4.450 20 5 HIBDHN CC1CCN([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000301081763 854290641 /nfs/dbraw/zinc/29/06/41/854290641.db2.gz SYTQJOXXTXRMBG-SFHVURJKSA-N 0 3 413.503 4.190 20 5 HIBDHN CN1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301851394 854476335 /nfs/dbraw/zinc/47/63/35/854476335.db2.gz ANQSUTOPNPZIKK-ZBEGNZNMSA-N 0 3 411.325 4.309 20 5 HIBDHN O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000302991751 854713223 /nfs/dbraw/zinc/71/32/23/854713223.db2.gz XMLDJHAAFPUADF-UHFFFAOYSA-N 0 3 403.866 4.256 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000303680514 855128505 /nfs/dbraw/zinc/12/85/05/855128505.db2.gz RQUMMTKYMQJYSA-LJQANCHMSA-N 0 3 415.515 4.031 20 5 HIBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426236377 856194426 /nfs/dbraw/zinc/19/44/26/856194426.db2.gz FZHQIYJNTIVZRT-IBGZPJMESA-N 0 3 414.531 4.167 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccsc1 ZINC000426259831 856207009 /nfs/dbraw/zinc/20/70/09/856207009.db2.gz BCMMVPAPUOQFPY-HXUWFJFHSA-N 0 3 416.547 4.413 20 5 HIBDHN CN(C)CCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000431368142 858581576 /nfs/dbraw/zinc/58/15/76/858581576.db2.gz DKCFKMZZSSHUBH-UHFFFAOYSA-N 0 3 416.909 4.027 20 5 HIBDHN Cc1c(Br)c(Nc2cccc3c2OCC[C@@H]3N(C)C)ncc1[N+](=O)[O-] ZINC000432943423 859440373 /nfs/dbraw/zinc/44/03/73/859440373.db2.gz HQAWUYMEVOHMEG-ZDUSSCGKSA-N 0 3 407.268 4.190 20 5 HIBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178947 859556689 /nfs/dbraw/zinc/55/66/89/859556689.db2.gz SIPUDTAOJIKGPX-NYHFZMIOSA-N 0 3 423.513 4.325 20 5 HIBDHN COC[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433201035 859564740 /nfs/dbraw/zinc/56/47/40/859564740.db2.gz UHDAKHSGQOCPJY-PKOBYXMFSA-N 0 3 406.866 4.324 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302876 859627227 /nfs/dbraw/zinc/62/72/27/859627227.db2.gz YUGIQYTYHJQOOF-HNNXBMFYSA-N 0 3 401.850 4.036 20 5 HIBDHN CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307139 859629194 /nfs/dbraw/zinc/62/91/94/859629194.db2.gz UNNPNKLJFMFWPL-XMSQKQJNSA-N 0 3 407.514 4.141 20 5 HIBDHN CC1(C)C[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307132 859629427 /nfs/dbraw/zinc/62/94/27/859629427.db2.gz UNNPNKLJFMFWPL-GCJKJVERSA-N 0 3 407.514 4.141 20 5 HIBDHN COc1ccc(NC(=O)CCN2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433318270 859637630 /nfs/dbraw/zinc/63/76/30/859637630.db2.gz KYOWUUDUWBCELZ-HNNXBMFYSA-N 0 3 403.866 4.075 20 5 HIBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000434311616 860273530 /nfs/dbraw/zinc/27/35/30/860273530.db2.gz HRIBWVCSPCFZJT-LJQANCHMSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1c(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435328261 860739881 /nfs/dbraw/zinc/73/98/81/860739881.db2.gz KMDLXFWRTDOTOS-QGZVFWFLSA-N 0 3 421.295 4.090 20 5 HIBDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000438549634 863979813 /nfs/dbraw/zinc/97/98/13/863979813.db2.gz FLQHUIYRHUXQAM-UHFFFAOYSA-N 0 3 422.957 4.019 20 5 HIBDHN CC(C)c1ccc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)cc1[N+](=O)[O-] ZINC000438926152 864405058 /nfs/dbraw/zinc/40/50/58/864405058.db2.gz BVAIQFKULLTUIV-UHFFFAOYSA-N 0 3 411.502 4.100 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000439112043 864548613 /nfs/dbraw/zinc/54/86/13/864548613.db2.gz AWALSMYQZCGDKD-UHFFFAOYSA-N 0 3 419.934 4.400 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000439933459 865232956 /nfs/dbraw/zinc/23/29/56/865232956.db2.gz PVSSYMCZNRVTRF-INIZCTEOSA-N 0 3 404.492 4.014 20 5 HIBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000440925101 866021120 /nfs/dbraw/zinc/02/11/20/866021120.db2.gz KXPCHTBPXJWUHQ-CJNGLKHVSA-N 0 3 415.877 4.396 20 5 HIBDHN CN(C)[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000447675127 871608930 /nfs/dbraw/zinc/60/89/30/871608930.db2.gz KPCVXULICHOPBH-LLVKDONJSA-N 0 3 410.368 4.420 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463281625 876339619 /nfs/dbraw/zinc/33/96/19/876339619.db2.gz VWTBFIOKUQATMD-XMSQKQJNSA-N 0 3 410.518 4.035 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1CN(CCCOc1ccccc1)C1CCOCC1 ZINC000464593981 877821475 /nfs/dbraw/zinc/82/14/75/877821475.db2.gz PGNUNMLTMJRZRK-UHFFFAOYSA-N 0 3 400.475 4.054 20 5 HIBDHN COc1cc(CN2CC[C@@H](C)[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370012 881142384 /nfs/dbraw/zinc/14/23/84/881142384.db2.gz NOPPZHPCECDJDQ-OPAMFIHVSA-N 0 3 400.475 4.039 20 5 HIBDHN COc1cc(CN2CC[C@H](C)[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370011 881142807 /nfs/dbraw/zinc/14/28/07/881142807.db2.gz NOPPZHPCECDJDQ-KSFYIVLOSA-N 0 3 400.475 4.039 20 5 HIBDHN COc1ccc(CN2CC[C@H](C)[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377787 881152200 /nfs/dbraw/zinc/15/22/00/881152200.db2.gz PLLZMUOHVNHGFH-AOMKIAJQSA-N 0 3 400.475 4.039 20 5 HIBDHN CCS[C@@H]1CCCC[C@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771922 883947325 /nfs/dbraw/zinc/94/73/25/883947325.db2.gz HMOLHAFEPFFNQN-CXAGYDPISA-N 0 3 404.479 4.401 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000470177841 884461136 /nfs/dbraw/zinc/46/11/36/884461136.db2.gz UTYJDNWDODCHHH-VKAVYKQESA-N 0 3 413.543 4.131 20 5 HIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480696969 896058958 /nfs/dbraw/zinc/05/89/58/896058958.db2.gz JWQDAEXUIPAZHG-IAGOWNOFSA-N 0 3 422.572 4.226 20 5 HIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000482620538 898222781 /nfs/dbraw/zinc/22/27/81/898222781.db2.gz CUBGAEIMUSHWJE-MRXNPFEDSA-N 0 3 410.518 4.453 20 5 HIBDHN CCC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000485252335 900538494 /nfs/dbraw/zinc/53/84/94/900538494.db2.gz BDDVNDKCHHUEJP-INIZCTEOSA-N 0 3 406.280 4.427 20 5 HIBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485405526 900703886 /nfs/dbraw/zinc/70/38/86/900703886.db2.gz BMCWUFIKMPNUDL-UHFFFAOYSA-N 0 3 402.470 4.097 20 5 HIBDHN CN(C)C(=O)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000506101322 914803847 /nfs/dbraw/zinc/80/38/47/914803847.db2.gz OTFWFMBUIKXWAK-UHFFFAOYSA-N 0 3 417.893 4.341 20 5 HIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309891 904529288 /nfs/dbraw/zinc/52/92/88/904529288.db2.gz ZPSKCJGTLSGLAF-GGAORHGYSA-N 0 3 423.538 4.409 20 5 HIBDHN O=C(CC(F)(F)F)N1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494005397 905346609 /nfs/dbraw/zinc/34/66/09/905346609.db2.gz YUVGEPLKSMSXKR-FQEVSTJZSA-N 0 3 421.419 4.217 20 5 HIBDHN C[C@@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494070118 905408624 /nfs/dbraw/zinc/40/86/24/905408624.db2.gz VBPJHBIAJVOUHC-CXAGYDPISA-N 0 3 407.392 4.006 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)Cc3ccc(F)cc3)o2)c(Cl)c1 ZINC000500221238 909713451 /nfs/dbraw/zinc/71/34/51/909713451.db2.gz JPZWEOBQYATHIS-OAHLLOKOSA-N 0 3 404.825 4.341 20 5 HIBDHN O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000513078718 921531652 /nfs/dbraw/zinc/53/16/52/921531652.db2.gz ZXSXQFMJSFOMFY-SFHVURJKSA-N 0 3 419.481 4.497 20 5 HIBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N[C@H]1CCOc2ccccc21 ZINC000500533989 909911336 /nfs/dbraw/zinc/91/13/36/909911336.db2.gz NWFKIYNRKRPHSD-IBGZPJMESA-N 0 3 423.494 4.053 20 5 HIBDHN CCN(CC)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccsc1 ZINC000513181606 921606354 /nfs/dbraw/zinc/60/63/54/921606354.db2.gz ACRFUQLRWGUFMY-IBGZPJMESA-N 0 3 402.520 4.044 20 5 HIBDHN Cc1cc(NC(=O)C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 ZINC000506307294 914897448 /nfs/dbraw/zinc/89/74/48/914897448.db2.gz CXLQQQOEKGVGIT-UHFFFAOYSA-N 0 3 410.430 4.002 20 5 HIBDHN C[C@@H]1COCC[C@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507266693 916029848 /nfs/dbraw/zinc/02/98/48/916029848.db2.gz KDQQTNOLQJYBFM-PTSWNOGYSA-N 0 3 417.893 4.190 20 5 HIBDHN CC(C)CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000511056455 919651929 /nfs/dbraw/zinc/65/19/29/919651929.db2.gz MYZNTZLMWQOJQM-UHFFFAOYSA-N 0 3 424.545 4.399 20 5 HIBDHN CCc1cccc2c(C3CCN(Cc4ccc(C(N)=O)cc4[N+](=O)[O-])CC3)c[nH]c21 ZINC000511111295 919722240 /nfs/dbraw/zinc/72/22/40/919722240.db2.gz PSJAVWPARRXJQK-UHFFFAOYSA-N 0 3 406.486 4.117 20 5 HIBDHN CC(C)(C)NC(=O)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000517548607 924259717 /nfs/dbraw/zinc/25/97/17/924259717.db2.gz XQQGIMIPPKVDQD-UHFFFAOYSA-N 0 3 405.882 4.435 20 5 HIBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000518088928 927014578 /nfs/dbraw/zinc/01/45/78/927014578.db2.gz HPVBWMGPSQAQBN-GOSISDBHSA-N 0 3 405.564 4.433 20 5 HIBDHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000518262991 927120275 /nfs/dbraw/zinc/12/02/75/927120275.db2.gz ZVKGHSWWCSBATI-HSZRJFAPSA-N 0 3 419.481 4.424 20 5 HIBDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000520991848 928908780 /nfs/dbraw/zinc/90/87/80/928908780.db2.gz JIXGOVVBNUMNQN-UHFFFAOYSA-N 0 3 400.866 4.219 20 5 HIBDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000530933787 930862449 /nfs/dbraw/zinc/86/24/49/930862449.db2.gz RCWNHWFEXDUDSS-JXNHNBEASA-N 0 3 406.504 4.033 20 5 HIBDHN CN(CCOc1ccccc1Cl)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533218799 931812436 /nfs/dbraw/zinc/81/24/36/931812436.db2.gz ADUSFCKIXXWAOO-UHFFFAOYSA-N 0 3 401.850 4.457 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000533427482 931865402 /nfs/dbraw/zinc/86/54/02/931865402.db2.gz SWHPWJFYPZKCGQ-YCRPNKLZSA-N 0 3 415.515 4.111 20 5 HIBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000537691843 938356170 /nfs/dbraw/zinc/35/61/70/938356170.db2.gz DBMKJRDNDIOCSQ-LJQANCHMSA-N 0 3 413.543 4.355 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000538210386 938557271 /nfs/dbraw/zinc/55/72/71/938557271.db2.gz HKYMSNRNUUWQRU-OAHLLOKOSA-N 0 3 420.916 4.380 20 5 HIBDHN CCOc1ccc([C@@H](C)Nc2ccc(CN3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000538534149 938643417 /nfs/dbraw/zinc/64/34/17/938643417.db2.gz BLTJNHYESNEHPH-GOSISDBHSA-N 0 3 412.534 4.304 20 5 HIBDHN Cn1cc(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538751238 938701873 /nfs/dbraw/zinc/70/18/73/938701873.db2.gz WSPPOPBSEPRCJH-HXUWFJFHSA-N 0 3 412.877 4.302 20 5 HIBDHN Cc1ccc([C@H](C)NCc2c(Cl)cccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000539103366 938803434 /nfs/dbraw/zinc/80/34/34/938803434.db2.gz ABNJJNOBBXZOOJ-INIZCTEOSA-N 0 3 402.926 4.159 20 5 HIBDHN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000539376539 938851219 /nfs/dbraw/zinc/85/12/19/938851219.db2.gz JDMGQUJWLXECGP-LLVKDONJSA-N 0 3 421.379 4.088 20 5 HIBDHN CN(c1ccccc1)c1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000539829657 938950205 /nfs/dbraw/zinc/95/02/05/938950205.db2.gz SUYGJIHXOLXMQU-LJQANCHMSA-N 0 3 405.502 4.161 20 5 HIBDHN Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Oc1cccnc1 ZINC000539838630 938954044 /nfs/dbraw/zinc/95/40/44/938954044.db2.gz URSSPAOEHIPQOR-GOSISDBHSA-N 0 3 405.458 4.172 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540410612 939239004 /nfs/dbraw/zinc/23/90/04/939239004.db2.gz UGBGLWXRGDKKHY-NRFANRHFSA-N 0 3 401.438 4.202 20 5 HIBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1=CCN(C)CC1 ZINC000541749327 939620307 /nfs/dbraw/zinc/62/03/07/939620307.db2.gz MQMUGRVEJGSVOV-HNNXBMFYSA-N 0 3 403.548 4.257 20 5 HIBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000542142418 939728527 /nfs/dbraw/zinc/72/85/27/939728527.db2.gz MOPIVNDARFAEIR-LSDHHAIUSA-N 0 3 410.474 4.011 20 5 HIBDHN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000542594154 939847181 /nfs/dbraw/zinc/84/71/81/939847181.db2.gz KJIUIJRFVXLZAT-SFHVURJKSA-N 0 3 403.548 4.187 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000543184429 939989339 /nfs/dbraw/zinc/98/93/39/939989339.db2.gz WQCCVXPEYOHBBR-FQEVSTJZSA-N 0 3 406.479 4.029 20 5 HIBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)cs1 ZINC000543516331 940092821 /nfs/dbraw/zinc/09/28/21/940092821.db2.gz CPQPJJBSOAKHLN-AWEZNQCLSA-N 0 3 424.482 4.367 20 5 HIBDHN O=C(CN[C@@H](Cc1ccccc1)c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000544416426 940417595 /nfs/dbraw/zinc/41/75/95/940417595.db2.gz ZSIFNCMXWVREIX-IBGZPJMESA-N 0 3 407.495 4.119 20 5 HIBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000544564444 940480223 /nfs/dbraw/zinc/48/02/23/940480223.db2.gz GIXFKHLHPTWNET-DLBZAZTESA-N 0 3 406.523 4.419 20 5 HIBDHN COc1cc(CN(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626249 940493700 /nfs/dbraw/zinc/49/37/00/940493700.db2.gz OEWGPVLEWLFTKT-HKUYNNGSSA-N 0 3 404.438 4.103 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510511 941197607 /nfs/dbraw/zinc/19/76/07/941197607.db2.gz XWHAGAJXPNQLHF-KDOFPFPSSA-N 0 3 404.898 4.220 20 5 HIBDHN CN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000549687618 941204570 /nfs/dbraw/zinc/20/45/70/941204570.db2.gz MBUIJCFRSJCHPM-QZTJIDSGSA-N 0 3 415.362 4.427 20 5 HIBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(Br)ccc1F ZINC000551241790 941434017 /nfs/dbraw/zinc/43/40/17/941434017.db2.gz OYASCLSIWHIXGK-NSHDSACASA-N 0 3 410.243 4.003 20 5 HIBDHN CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)N(C)C)cc1 ZINC000559000709 943797790 /nfs/dbraw/zinc/79/77/90/943797790.db2.gz AKSGSGJPWFDWSG-HNNXBMFYSA-N 0 3 411.325 4.189 20 5 HIBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000561728442 944767234 /nfs/dbraw/zinc/76/72/34/944767234.db2.gz TVBQJAKJZUIHGB-GOSISDBHSA-N 0 3 419.572 4.461 20 5 HIBDHN CC[C@H](CC(F)(F)F)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000565374127 945818749 /nfs/dbraw/zinc/81/87/49/945818749.db2.gz LCJKQACGPOGUQI-SNVBAGLBSA-N 0 3 402.154 4.020 20 5 HIBDHN CCC[C@]1(CO)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000566567152 946041664 /nfs/dbraw/zinc/04/16/64/946041664.db2.gz VZNFLPNMLZKHDB-QHCPKHFHSA-N 0 3 414.502 4.167 20 5 HIBDHN C[C@@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912230 946747085 /nfs/dbraw/zinc/74/70/85/946747085.db2.gz VULRSSFNSKYELC-IIBYNOLFSA-N 0 3 408.527 4.471 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)s2)cc1 ZINC000570485281 947263951 /nfs/dbraw/zinc/26/39/51/947263951.db2.gz VIUQLGRYYGVEAA-BBRMVZONSA-N 0 3 400.422 4.316 20 5 HIBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000570502192 947269005 /nfs/dbraw/zinc/26/90/05/947269005.db2.gz DTUKZNOUTZRSLA-SCLBCKFNSA-N 0 3 420.307 4.087 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000573018457 948059467 /nfs/dbraw/zinc/05/94/67/948059467.db2.gz OZDIICSMEWMHHA-CEXWTWQISA-N 0 3 404.413 4.201 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]([C@@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288551 948146416 /nfs/dbraw/zinc/14/64/16/948146416.db2.gz UOHHFPXSMNWBKX-SUMWQHHRSA-N 0 3 400.422 4.459 20 5 HIBDHN Cc1ccc2c(c1)CC[C@@H]2NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000573409257 948195139 /nfs/dbraw/zinc/19/51/39/948195139.db2.gz LSVYQPHYFZVKKA-KRWDZBQOSA-N 0 3 408.239 4.285 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000010917317 845726152 /nfs/dbraw/zinc/72/61/52/845726152.db2.gz DGNMBZHMEGFWSM-LJQANCHMSA-N 0 3 417.531 4.138 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000022700526 846606522 /nfs/dbraw/zinc/60/65/22/846606522.db2.gz KSVHDENBGPLIPG-LJQANCHMSA-N 0 3 405.882 4.070 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000030152814 847682343 /nfs/dbraw/zinc/68/23/43/847682343.db2.gz TWKYONDORCUVJG-KBXCAEBGSA-N 0 3 413.474 4.313 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000063704520 851743814 /nfs/dbraw/zinc/74/38/14/851743814.db2.gz PCFDZVMIZWGEOK-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)N(C)C)cc1 ZINC000065126636 852074140 /nfs/dbraw/zinc/07/41/40/852074140.db2.gz YXNCVRRBTQSFCX-IBGZPJMESA-N 0 3 410.499 4.059 20 5 HIBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000078714088 852525903 /nfs/dbraw/zinc/52/59/03/852525903.db2.gz OBWQLJDHARROSB-UHFFFAOYSA-N 0 3 417.513 4.233 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 ZINC000139794363 853421798 /nfs/dbraw/zinc/42/17/98/853421798.db2.gz GJUGQZKWMBKIPU-UHFFFAOYSA-N 0 3 417.897 4.343 20 5 HIBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215713530 853836095 /nfs/dbraw/zinc/83/60/95/853836095.db2.gz OJWAZFFYIJOFEC-LJQANCHMSA-N 0 3 422.510 4.285 20 5 HIBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217230516 853861454 /nfs/dbraw/zinc/86/14/54/853861454.db2.gz HZWBXDMDQKMWMX-GUYCJALGSA-N 0 3 411.380 4.020 20 5 HIBDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237114219 853966364 /nfs/dbraw/zinc/96/63/64/853966364.db2.gz KIDGMQXOIMVXSM-UHFFFAOYSA-N 0 3 423.542 4.391 20 5 HIBDHN COc1ccc(C(=O)Nc2cccc(OCCNCc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000237476379 854041167 /nfs/dbraw/zinc/04/11/67/854041167.db2.gz JXPAZAHIFKINEH-UHFFFAOYSA-N 0 3 421.453 4.024 20 5 HIBDHN O=C(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCCCCC1 ZINC000237814552 854102041 /nfs/dbraw/zinc/10/20/41/854102041.db2.gz DIXVAUNDRNTBNP-UHFFFAOYSA-N 0 3 405.882 4.391 20 5 HIBDHN O=C(NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000237880844 854113814 /nfs/dbraw/zinc/11/38/14/854113814.db2.gz AIRHFPCLIRVFPS-UHFFFAOYSA-N 0 3 415.446 4.107 20 5 HIBDHN CN1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301692939 854446502 /nfs/dbraw/zinc/44/65/02/854446502.db2.gz ONGCPZCMBLWIRG-NHYWBVRUSA-N 0 3 411.325 4.309 20 5 HIBDHN O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000301876407 854482432 /nfs/dbraw/zinc/48/24/32/854482432.db2.gz IVRILXURRCUPQS-GFCCVEGCSA-N 0 3 411.325 4.138 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1 ZINC000303519191 855006333 /nfs/dbraw/zinc/00/63/33/855006333.db2.gz PGZUNPLCBNUGLF-UHFFFAOYSA-N 0 3 407.923 4.174 20 5 HIBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c(OC(F)F)ccc4ccccc43)CC2)n1 ZINC000426002329 856040223 /nfs/dbraw/zinc/04/02/23/856040223.db2.gz OSFAWAKXMIQMLG-UHFFFAOYSA-N 0 3 402.401 4.383 20 5 HIBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426565194 856350652 /nfs/dbraw/zinc/35/06/52/856350652.db2.gz MFIHBXSAMMVVOF-INIZCTEOSA-N 0 3 401.532 4.008 20 5 HIBDHN COCC(C)(C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000427842567 856977448 /nfs/dbraw/zinc/97/74/48/856977448.db2.gz RWJVVKLOZNGSBY-SFHVURJKSA-N 0 3 405.882 4.190 20 5 HIBDHN CN(CCCNC(=O)C1CCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000432799892 859366526 /nfs/dbraw/zinc/36/65/26/859366526.db2.gz IPRCRJJXWDERKX-UHFFFAOYSA-N 0 3 405.882 4.246 20 5 HIBDHN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000433178954 859556757 /nfs/dbraw/zinc/55/67/57/859556757.db2.gz SIPUDTAOJIKGPX-QRQCRPRQSA-N 0 3 423.513 4.325 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433303901 859627464 /nfs/dbraw/zinc/62/74/64/859627464.db2.gz MDMXNRAKHLNACE-HNNXBMFYSA-N 0 3 403.866 4.075 20 5 HIBDHN CC1(C)C[C@@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433307136 859629389 /nfs/dbraw/zinc/62/93/89/859629389.db2.gz UNNPNKLJFMFWPL-PGRDOPGGSA-N 0 3 407.514 4.141 20 5 HIBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000467700759 881495470 /nfs/dbraw/zinc/49/54/70/881495470.db2.gz NOODGPZGMGPWSC-CJNGLKHVSA-N 0 3 407.392 4.006 20 5 HIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679816 860457193 /nfs/dbraw/zinc/45/71/93/860457193.db2.gz QRKCHQPJQUXAEK-OAHLLOKOSA-N 0 3 422.489 4.118 20 5 HIBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000467772066 881590867 /nfs/dbraw/zinc/59/08/67/881590867.db2.gz YEPRPFWDJHKUPN-QGZVFWFLSA-N 0 3 402.882 4.377 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000438955835 864426815 /nfs/dbraw/zinc/42/68/15/864426815.db2.gz VCNFTOKIPAXPAU-NRFANRHFSA-N 0 3 401.894 4.341 20 5 HIBDHN CC(C)c1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000439520729 864862194 /nfs/dbraw/zinc/86/21/94/864862194.db2.gz VBMJJZPRGFAUGW-UHFFFAOYSA-N 0 3 411.502 4.175 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000439869683 865177654 /nfs/dbraw/zinc/17/76/54/865177654.db2.gz JYAWNBHOTLZTMO-QGZVFWFLSA-N 0 3 412.490 4.122 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000439933460 865233585 /nfs/dbraw/zinc/23/35/85/865233585.db2.gz PVSSYMCZNRVTRF-MRXNPFEDSA-N 0 3 404.492 4.014 20 5 HIBDHN COc1ccc(OCCN(C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000441265044 866340423 /nfs/dbraw/zinc/34/04/23/866340423.db2.gz YYPDKGYFUVGBPK-UHFFFAOYSA-N 0 3 400.353 4.013 20 5 HIBDHN COc1ccc(OCCN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 ZINC000443650899 868246038 /nfs/dbraw/zinc/24/60/38/868246038.db2.gz JJCCKYUEZATDRK-AWEZNQCLSA-N 0 3 415.421 4.142 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000443974710 868503546 /nfs/dbraw/zinc/50/35/46/868503546.db2.gz WCZJJYUPMFDVET-HXUWFJFHSA-N 0 3 414.506 4.425 20 5 HIBDHN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCN(CC2CCCCC2)CC1 ZINC000445190069 869267518 /nfs/dbraw/zinc/26/75/18/869267518.db2.gz KBPRBPWNNBGXQQ-UHFFFAOYSA-N 0 3 417.553 4.410 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526589 871391136 /nfs/dbraw/zinc/39/11/36/871391136.db2.gz DCSYIZCDYRKPPB-UONOGXRCSA-N 0 3 400.813 4.320 20 5 HIBDHN COCCOc1ccc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000447530065 871395668 /nfs/dbraw/zinc/39/56/68/871395668.db2.gz NDSLVARWRYMRRC-FOIQADDNSA-N 0 3 400.475 4.357 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537458 871400999 /nfs/dbraw/zinc/40/09/99/871400999.db2.gz WBWYNQFEGOWSTK-WOJBJXKFSA-N 0 3 411.437 4.391 20 5 HIBDHN C[C@@H]1CN(Cc2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 ZINC000447540082 871408554 /nfs/dbraw/zinc/40/85/54/871408554.db2.gz ISFXFSWRICEBKC-GGUMNFRJSA-N 0 3 409.530 4.371 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1CCSC1)c1ccccc1 ZINC000447797851 871733947 /nfs/dbraw/zinc/73/39/47/871733947.db2.gz OIOUPSIZPVGDTM-UGSOOPFHSA-N 0 3 405.907 4.271 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)c2ccncc2)c1 ZINC000468650944 882786782 /nfs/dbraw/zinc/78/67/82/882786782.db2.gz JJQAUWCZUKBQLE-ATVHPVEESA-N 0 3 402.454 4.435 20 5 HIBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551165 875675814 /nfs/dbraw/zinc/67/58/14/875675814.db2.gz MKLDRZZLRSQUFK-IERDGZPVSA-N 0 3 408.527 4.328 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(=Cc2ccccc2F)CC1 ZINC000464873054 878159323 /nfs/dbraw/zinc/15/93/23/878159323.db2.gz GYPGWPAPJSNJSL-UHFFFAOYSA-N 0 3 413.449 4.251 20 5 HIBDHN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475170949 890037002 /nfs/dbraw/zinc/03/70/02/890037002.db2.gz BLSQQRLFQXDVPJ-GHTZIAJQSA-N 0 3 410.518 4.270 20 5 HIBDHN CCOC(=O)C1(COC)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000475624210 890559144 /nfs/dbraw/zinc/55/91/44/890559144.db2.gz LSFZFOLIOFEJGU-UHFFFAOYSA-N 0 3 418.515 4.115 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cc2cccc(F)c2o1 ZINC000475701951 890640401 /nfs/dbraw/zinc/64/04/01/890640401.db2.gz NDFOEISROJESPL-GFCCVEGCSA-N 0 3 401.394 4.168 20 5 HIBDHN CC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000479413228 894721759 /nfs/dbraw/zinc/72/17/59/894721759.db2.gz AGZLGHWVOOEDDA-KRWDZBQOSA-N 0 3 418.291 4.427 20 5 HIBDHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000479629948 894896797 /nfs/dbraw/zinc/89/67/97/894896797.db2.gz VYOLIXHNJOCPAS-YLJYHZDGSA-N 0 3 411.502 4.209 20 5 HIBDHN Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481661186 897045294 /nfs/dbraw/zinc/04/52/94/897045294.db2.gz RWTMVDZVKIEISY-UHFFFAOYSA-N 0 3 410.518 4.005 20 5 HIBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141623 897600088 /nfs/dbraw/zinc/60/00/88/897600088.db2.gz KCJBIMWJBYIEDD-LAUBAEHRSA-N 0 3 423.517 4.452 20 5 HIBDHN CCC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000485252336 900538364 /nfs/dbraw/zinc/53/83/64/900538364.db2.gz BDDVNDKCHHUEJP-MRXNPFEDSA-N 0 3 406.280 4.427 20 5 HIBDHN Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1F ZINC000485718260 900967655 /nfs/dbraw/zinc/96/76/55/900967655.db2.gz RXPUUYMXPZMIQU-KRWDZBQOSA-N 0 3 413.493 4.440 20 5 HIBDHN CSc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1[N+](=O)[O-] ZINC000486239349 901421877 /nfs/dbraw/zinc/42/18/77/901421877.db2.gz KSHHBYXJIBQPIU-UHFFFAOYSA-N 0 3 417.556 4.160 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000489600618 903490454 /nfs/dbraw/zinc/49/04/54/903490454.db2.gz VFZUDDQGCVAUKY-LAUBAEHRSA-N 0 3 413.543 4.337 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000489916892 903671978 /nfs/dbraw/zinc/67/19/78/903671978.db2.gz WESLUFBIUAIWKG-YJBOKZPZSA-N 0 3 402.520 4.162 20 5 HIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356261 904553095 /nfs/dbraw/zinc/55/30/95/904553095.db2.gz LEMWFWXVLJTVIM-JWQCQUIFSA-N 0 3 417.509 4.347 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000493030965 904994712 /nfs/dbraw/zinc/99/47/12/904994712.db2.gz HNGVWMCYLWUGRB-OAHLLOKOSA-N 0 3 420.460 4.016 20 5 HIBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000512389658 921126270 /nfs/dbraw/zinc/12/62/70/921126270.db2.gz PQKKWJSJOJKEEV-UHFFFAOYSA-N 0 3 413.865 4.469 20 5 HIBDHN Cc1ccc([C@H](CCn2cncn2)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494469811 905750362 /nfs/dbraw/zinc/75/03/62/905750362.db2.gz UWLQZLDWNGHHKO-IBGZPJMESA-N 0 3 419.407 4.435 20 5 HIBDHN CCOc1ccc(C(=O)N(CC)[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952378 907421791 /nfs/dbraw/zinc/42/17/91/907421791.db2.gz OLCQVCKCLUPNPN-XLIONFOSSA-N 0 3 411.502 4.291 20 5 HIBDHN O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC000513078717 921531770 /nfs/dbraw/zinc/53/17/70/921531770.db2.gz ZXSXQFMJSFOMFY-GOSISDBHSA-N 0 3 419.481 4.497 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCOc2cccc3cccnc32)c1 ZINC000500915122 910180307 /nfs/dbraw/zinc/18/03/07/910180307.db2.gz HNDHCZIYKXASFI-UHFFFAOYSA-N 0 3 403.385 4.303 20 5 HIBDHN CC[C@H](C)NC(=O)CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000507928160 916803573 /nfs/dbraw/zinc/80/35/73/916803573.db2.gz BTZXXNCRYSVGBL-INIZCTEOSA-N 0 3 401.532 4.449 20 5 HIBDHN C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000508570289 917343426 /nfs/dbraw/zinc/34/34/26/917343426.db2.gz PDEVIYCQJJSYRV-QRWLVFNGSA-N 0 3 421.419 4.227 20 5 HIBDHN CCOc1ccc(C2=CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000509494236 918139963 /nfs/dbraw/zinc/13/99/63/918139963.db2.gz SWDMQCWYSNPQHV-UHFFFAOYSA-N 0 3 409.486 4.420 20 5 HIBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)C3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000511389483 919994450 /nfs/dbraw/zinc/99/44/50/919994450.db2.gz CBJWJLXPZSAJIL-GOSISDBHSA-N 0 3 416.566 4.168 20 5 HIBDHN CN(C(=O)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511556929 920192766 /nfs/dbraw/zinc/19/27/66/920192766.db2.gz RYRBHRNAIHNUHJ-LJQANCHMSA-N 0 3 423.391 4.197 20 5 HIBDHN COc1cc(CN(C)C[C@H]2CCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511633073 920295102 /nfs/dbraw/zinc/29/51/02/920295102.db2.gz ZGNATOKFHCQAFP-HXUWFJFHSA-N 0 3 400.475 4.183 20 5 HIBDHN COCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000513473429 921833299 /nfs/dbraw/zinc/83/32/99/921833299.db2.gz XKGGBIUAXNWBMQ-UHFFFAOYSA-N 0 3 409.280 4.476 20 5 HIBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000517302735 924088837 /nfs/dbraw/zinc/08/88/37/924088837.db2.gz CEQSUJDTCKZXDH-IRXDYDNUSA-N 0 3 410.518 4.391 20 5 HIBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000517628374 926737247 /nfs/dbraw/zinc/73/72/47/926737247.db2.gz DOXSLSDTTRZKBG-NSHDSACASA-N 0 3 410.243 4.176 20 5 HIBDHN O=C1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000518280386 927137080 /nfs/dbraw/zinc/13/70/80/927137080.db2.gz JKKWKXFDKNOTCM-IBGZPJMESA-N 0 3 407.495 4.214 20 5 HIBDHN Cc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000518879999 927591723 /nfs/dbraw/zinc/59/17/23/927591723.db2.gz QRVZEEYFDOPJGQ-UHFFFAOYSA-N 0 3 401.894 4.295 20 5 HIBDHN CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000520318467 928480399 /nfs/dbraw/zinc/48/03/99/928480399.db2.gz QLADGTWKGNIBSI-QGZVFWFLSA-N 0 3 415.877 4.349 20 5 HIBDHN Cc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000520951102 928886574 /nfs/dbraw/zinc/88/65/74/928886574.db2.gz PBHVTXRAKRRNBC-MGPUTAFESA-N 0 3 421.900 4.247 20 5 HIBDHN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524945194 929907360 /nfs/dbraw/zinc/90/73/60/929907360.db2.gz ONZDORKERQHSAV-KOSHJBKYSA-N 0 3 421.497 4.234 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000525795313 930447307 /nfs/dbraw/zinc/44/73/07/930447307.db2.gz XBXDOIMCIRDTHO-OAQYLSRUSA-N 0 3 422.481 4.031 20 5 HIBDHN C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCOCC1 ZINC000531629663 931132368 /nfs/dbraw/zinc/13/23/68/931132368.db2.gz MHJQIMQBGPMBDD-JLTOFOAXSA-N 0 3 417.893 4.333 20 5 HIBDHN CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677200 931147779 /nfs/dbraw/zinc/14/77/79/931147779.db2.gz KGHCRVGQDIFSAX-HRAATJIYSA-N 0 3 419.547 4.427 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703996 931166020 /nfs/dbraw/zinc/16/60/20/931166020.db2.gz OWZYLPJEGSWVMA-IRXDYDNUSA-N 0 3 400.498 4.288 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000532215119 931356360 /nfs/dbraw/zinc/35/63/60/931356360.db2.gz WDYXRAFMHSRSJL-IRXDYDNUSA-N 0 3 400.498 4.206 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCc3ccc4c(c3)OCCO4)cs2)c1 ZINC000532328535 931397363 /nfs/dbraw/zinc/39/73/63/931397363.db2.gz NGHYECSTPJLDJG-UHFFFAOYSA-N 0 3 411.483 4.212 20 5 HIBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000532689014 931586121 /nfs/dbraw/zinc/58/61/21/931586121.db2.gz FHPICMNDQDXYRU-MRXNPFEDSA-N 0 3 412.421 4.042 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533055261 931757052 /nfs/dbraw/zinc/75/70/52/931757052.db2.gz WZIVFXOTWDUMOW-HSZRJFAPSA-N 0 3 423.444 4.450 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000538271555 938580386 /nfs/dbraw/zinc/58/03/86/938580386.db2.gz RIOGMERRHOXTNZ-AEFFLSMTSA-N 0 3 413.543 4.488 20 5 HIBDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000539818882 938942555 /nfs/dbraw/zinc/94/25/55/938942555.db2.gz FLBBLTLXURRTKY-UXHICEINSA-N 0 3 420.893 4.260 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(Cl)c1 ZINC000542468782 939828147 /nfs/dbraw/zinc/82/81/47/939828147.db2.gz BHAPQBFYITWHLR-IBGZPJMESA-N 0 3 410.301 4.065 20 5 HIBDHN O=C1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCN1c1cccnc1 ZINC000542483006 939831203 /nfs/dbraw/zinc/83/12/03/939831203.db2.gz UHGLATODJJBATH-GOSISDBHSA-N 0 3 408.483 4.004 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000542704838 939855468 /nfs/dbraw/zinc/85/54/68/939855468.db2.gz HCGUZMOQEZQPLN-UHFFFAOYSA-N 0 3 405.292 4.461 20 5 HIBDHN Cc1ccc(Br)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000542703668 939855449 /nfs/dbraw/zinc/85/54/49/939855449.db2.gz XIOHOZGUFSWMNC-UHFFFAOYSA-N 0 3 406.280 4.093 20 5 HIBDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000543073074 939924881 /nfs/dbraw/zinc/92/48/81/939924881.db2.gz RNRPZLLUSGBKSD-CABCVRRESA-N 0 3 410.474 4.011 20 5 HIBDHN O=C(CN[C@@H](Cc1ccccc1)c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000543454474 940067630 /nfs/dbraw/zinc/06/76/30/940067630.db2.gz LEGVJXHZMZAAQI-IBGZPJMESA-N 0 3 407.495 4.119 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000551822264 941553257 /nfs/dbraw/zinc/55/32/57/941553257.db2.gz BBJPDPCRBWKZJM-JRTNDBBKSA-N 0 3 422.529 4.276 20 5 HIBDHN CCCN(C)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553027137 941819711 /nfs/dbraw/zinc/81/97/11/941819711.db2.gz OPVPWGPQOVFWAY-KRWDZBQOSA-N 0 3 405.882 4.070 20 5 HIBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000553219623 941851875 /nfs/dbraw/zinc/85/18/75/941851875.db2.gz DVAUKFNVIMQNBH-OAHLLOKOSA-N 0 3 401.463 4.070 20 5 HIBDHN CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)N(C)C)cc1 ZINC000559000710 943797728 /nfs/dbraw/zinc/79/77/28/943797728.db2.gz AKSGSGJPWFDWSG-OAHLLOKOSA-N 0 3 411.325 4.189 20 5 HIBDHN C[C@H]1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912228 946747817 /nfs/dbraw/zinc/74/78/17/946747817.db2.gz VULRSSFNSKYELC-HRAATJIYSA-N 0 3 408.527 4.471 20 5 HIBDHN COC[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCc2ccccc21 ZINC000571813236 947793374 /nfs/dbraw/zinc/79/33/74/947793374.db2.gz XHSSPSNVNCTWKE-QHCPKHFHSA-N 0 3 408.454 4.059 20 5 HIBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436295545 861600427 /nfs/dbraw/zinc/60/04/27/861600427.db2.gz RLPJXLOJSVTCJL-INIZCTEOSA-N 0 3 409.505 4.205 20 5 HIBDHN COc1ccc(CN2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000011172687 845762876 /nfs/dbraw/zinc/76/28/76/845762876.db2.gz GOLLWNIRKXFLMK-UHFFFAOYSA-N 0 3 409.408 4.335 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(Br)s1 ZINC000026250974 847112223 /nfs/dbraw/zinc/11/22/23/847112223.db2.gz XBKYYGJQIJOXJG-UHFFFAOYSA-N 0 3 412.309 4.188 20 5 HIBDHN CCc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000026300555 847120043 /nfs/dbraw/zinc/12/00/43/847120043.db2.gz HHOCIZHCWBKDFV-YWZLYKJASA-N 0 3 401.532 4.057 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988368 847975879 /nfs/dbraw/zinc/97/58/79/847975879.db2.gz WKUPCUXRDAFQRY-IBGZPJMESA-N 0 3 402.520 4.044 20 5 HIBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000061031321 851278164 /nfs/dbraw/zinc/27/81/64/851278164.db2.gz JWJOXOQDBNBSAS-UHFFFAOYSA-N 0 3 405.907 4.223 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000138694006 853394453 /nfs/dbraw/zinc/39/44/53/853394453.db2.gz OZKGTCVHMHCFOR-UHFFFAOYSA-N 0 3 417.556 4.160 20 5 HIBDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000150249074 853641687 /nfs/dbraw/zinc/64/16/87/853641687.db2.gz KZKXAODURTUKMT-HXUWFJFHSA-N 0 3 413.474 4.086 20 5 HIBDHN COc1ccc(-c2ccc(CNC[C@H](c3ccco3)N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237416435 854027782 /nfs/dbraw/zinc/02/77/82/854027782.db2.gz GSWWECOYLCBFBK-HXUWFJFHSA-N 0 3 411.458 4.383 20 5 HIBDHN Cc1cc(NCC2CCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302132625 854535053 /nfs/dbraw/zinc/53/50/53/854535053.db2.gz CGKWOHKGHIQBKY-UHFFFAOYSA-N 0 3 404.470 4.416 20 5 HIBDHN C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000433168086 859550710 /nfs/dbraw/zinc/55/07/10/859550710.db2.gz LHHPJPXRXQJSJH-UZUQRXQVSA-N 0 3 409.530 4.328 20 5 HIBDHN COC[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433201029 859564526 /nfs/dbraw/zinc/56/45/26/859564526.db2.gz UHDAKHSGQOCPJY-HKUYNNGSSA-N 0 3 406.866 4.324 20 5 HIBDHN COC[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433201031 859565006 /nfs/dbraw/zinc/56/50/06/859565006.db2.gz UHDAKHSGQOCPJY-IEBWSBKVSA-N 0 3 406.866 4.324 20 5 HIBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435290145 860721494 /nfs/dbraw/zinc/72/14/94/860721494.db2.gz JWUSNPZIPXMMCT-LJQANCHMSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435296757 860724901 /nfs/dbraw/zinc/72/49/01/860724901.db2.gz HNAJSRYMUUZROX-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000467772063 881589729 /nfs/dbraw/zinc/58/97/29/881589729.db2.gz YEPRPFWDJHKUPN-KRWDZBQOSA-N 0 3 402.882 4.377 20 5 HIBDHN O=[N+]([O-])c1cc(CN(CCO)C2CCOCC2)ccc1Oc1ccccc1Cl ZINC000438335990 863810846 /nfs/dbraw/zinc/81/08/46/863810846.db2.gz SHDTUFZALWOUMX-UHFFFAOYSA-N 0 3 406.866 4.014 20 5 HIBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439528962 864865644 /nfs/dbraw/zinc/86/56/44/864865644.db2.gz GDDAYFITDBRNJL-HXUWFJFHSA-N 0 3 410.518 4.240 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCCC1CC1)c1ccccc1 ZINC000439637684 864964695 /nfs/dbraw/zinc/96/46/95/864964695.db2.gz HCEGMGCDWBVOGY-GOSISDBHSA-N 0 3 418.291 4.427 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000439892857 865204889 /nfs/dbraw/zinc/20/48/89/865204889.db2.gz UWGBGXRLWBVFBW-UHFFFAOYSA-N 0 3 412.490 4.122 20 5 HIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000443951028 868486826 /nfs/dbraw/zinc/48/68/26/868486826.db2.gz WETYRBRXIBPKJF-UHFFFAOYSA-N 0 3 404.898 4.461 20 5 HIBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000444457024 868835085 /nfs/dbraw/zinc/83/50/85/868835085.db2.gz AFGCBROVBGXJFL-UHFFFAOYSA-N 0 3 411.483 4.019 20 5 HIBDHN CCOc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579660 871482755 /nfs/dbraw/zinc/48/27/55/871482755.db2.gz LDJUVPZCAKRDIA-LSDHHAIUSA-N 0 3 410.421 4.065 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462158499 875254458 /nfs/dbraw/zinc/25/44/58/875254458.db2.gz LXZDPGYXLJSYMQ-OXQOHEQNSA-N 0 3 413.543 4.346 20 5 HIBDHN COc1cc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000462872872 875902045 /nfs/dbraw/zinc/90/20/45/875902045.db2.gz GXVIGIPFTRNMND-NNUKFRKNSA-N 0 3 407.264 4.107 20 5 HIBDHN COc1ccc(CN2CC[C@@H](C)[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467377790 881153194 /nfs/dbraw/zinc/15/31/94/881153194.db2.gz PLLZMUOHVNHGFH-ZHRRBRCNSA-N 0 3 400.475 4.039 20 5 HIBDHN COc1cc(Br)ccc1[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000469753061 883916266 /nfs/dbraw/zinc/91/62/66/883916266.db2.gz PEMQQQNBFCRKHW-LBPRGKRZSA-N 0 3 422.279 4.045 20 5 HIBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[C@@H]1C ZINC000470155583 884428503 /nfs/dbraw/zinc/42/85/03/884428503.db2.gz ZOGUFBAYVIXXMV-RISCZKNCSA-N 0 3 423.263 4.001 20 5 HIBDHN CO[C@@H]1CC[C@@H](N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000471564361 886273511 /nfs/dbraw/zinc/27/35/11/886273511.db2.gz SRBPQSHOFGQJQJ-IDHHARJASA-N 0 3 403.866 4.085 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475718152 890656867 /nfs/dbraw/zinc/65/68/67/890656867.db2.gz XPQLXMZGOKWJEO-LBPRGKRZSA-N 0 3 401.394 4.168 20 5 HIBDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000476268290 891189388 /nfs/dbraw/zinc/18/93/88/891189388.db2.gz GTUGLSLBWPKTJR-INIZCTEOSA-N 0 3 422.428 4.421 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000477190860 892114499 /nfs/dbraw/zinc/11/44/99/892114499.db2.gz IMLJJONOODEBFY-LJQANCHMSA-N 0 3 419.909 4.378 20 5 HIBDHN CCOc1ccc([C@@H](C)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911113 913644964 /nfs/dbraw/zinc/64/49/64/913644964.db2.gz AOZIVSWWPUMHAW-QZTJIDSGSA-N 0 3 413.518 4.065 20 5 HIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000504919985 913656899 /nfs/dbraw/zinc/65/68/99/913656899.db2.gz MFVRYGFZRLMZDJ-RTBURBONSA-N 0 3 413.543 4.419 20 5 HIBDHN Cc1c(CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000477753203 892844861 /nfs/dbraw/zinc/84/48/61/892844861.db2.gz ZTHWXUOXVQXUCE-LBPRGKRZSA-N 0 3 411.380 4.309 20 5 HIBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN(C)C ZINC000479435261 894751688 /nfs/dbraw/zinc/75/16/88/894751688.db2.gz GTBRXSDZRUZERU-UHFFFAOYSA-N 0 3 401.532 4.335 20 5 HIBDHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481007040 896337921 /nfs/dbraw/zinc/33/79/21/896337921.db2.gz YETWMWQKNRFSII-IERDGZPVSA-N 0 3 414.506 4.045 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)o1 ZINC000482505191 898086347 /nfs/dbraw/zinc/08/63/47/898086347.db2.gz HZWQUSDRSJSGSO-UHFFFAOYSA-N 0 3 407.474 4.162 20 5 HIBDHN CSc1cccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000486225369 901408249 /nfs/dbraw/zinc/40/82/49/901408249.db2.gz MNQNYHKSPTZLHO-SUMWQHHRSA-N 0 3 405.545 4.191 20 5 HIBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027008 903130774 /nfs/dbraw/zinc/13/07/74/903130774.db2.gz KYIGCMWVPOKLHJ-FOIQADDNSA-N 0 3 417.481 4.453 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000489705795 903549589 /nfs/dbraw/zinc/54/95/89/903549589.db2.gz SKCWBSIMWNGDAZ-JOCHJYFZSA-N 0 3 410.518 4.049 20 5 HIBDHN CC[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000492934820 904954670 /nfs/dbraw/zinc/95/46/70/904954670.db2.gz BNWDIBKCWAYYTN-PGRDOPGGSA-N 0 3 410.518 4.352 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938067 904956957 /nfs/dbraw/zinc/95/69/57/904956957.db2.gz SSXOTELQVFNWLN-GHTZIAJQSA-N 0 3 410.518 4.270 20 5 HIBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493560476 905163898 /nfs/dbraw/zinc/16/38/98/905163898.db2.gz XCTFUEFPRNWACT-AUUYWEPGSA-N 0 3 415.877 4.207 20 5 HIBDHN CCc1cc(N2CCC[C@@H](N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000494037371 905377879 /nfs/dbraw/zinc/37/78/79/905377879.db2.gz GTAMRPWTIDMUCI-ZJSXRUAMSA-N 0 3 417.513 4.295 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494077272 905415128 /nfs/dbraw/zinc/41/51/28/905415128.db2.gz GUHIAOISCHUCFC-OXJNMPFZSA-N 0 3 413.543 4.488 20 5 HIBDHN O=C(Nc1ccc(O)cc1)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000512623385 921265611 /nfs/dbraw/zinc/26/56/11/921265611.db2.gz RNFYGXBNBAKBPE-UHFFFAOYSA-N 0 3 421.453 4.411 20 5 HIBDHN CC1CCN([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000497636532 907120781 /nfs/dbraw/zinc/12/07/81/907120781.db2.gz DPSGWGLEKBSDNR-LJQANCHMSA-N 0 3 401.894 4.451 20 5 HIBDHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501960730 910948252 /nfs/dbraw/zinc/94/82/52/910948252.db2.gz YQCUTHLLVYVWBI-QFBILLFUSA-N 0 3 406.486 4.374 20 5 HIBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513227856 921641960 /nfs/dbraw/zinc/64/19/60/921641960.db2.gz RWLHHCSPYMJCSZ-LJQANCHMSA-N 0 3 422.510 4.113 20 5 HIBDHN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1)N(C)C ZINC000508848209 917600878 /nfs/dbraw/zinc/60/08/78/917600878.db2.gz OVIFLNOUINQRAP-SJKOYZFVSA-N 0 3 408.405 4.009 20 5 HIBDHN Cn1cnnc1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000509398890 918065618 /nfs/dbraw/zinc/06/56/18/918065618.db2.gz ILGWQDPFDKSOSG-UHFFFAOYSA-N 0 3 401.854 4.016 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000509434351 918091066 /nfs/dbraw/zinc/09/10/66/918091066.db2.gz XEUTYHXKEOPFNB-UHFFFAOYSA-N 0 3 424.545 4.352 20 5 HIBDHN COc1cc(CNC[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509594154 918242735 /nfs/dbraw/zinc/24/27/35/918242735.db2.gz SEXWAYICGPRDDZ-FQEVSTJZSA-N 0 3 420.465 4.276 20 5 HIBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000509975062 918565274 /nfs/dbraw/zinc/56/52/74/918565274.db2.gz VDOIYNMPOBPZTQ-UHFFFAOYSA-N 0 3 411.527 4.446 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000514511222 922664434 /nfs/dbraw/zinc/66/44/34/922664434.db2.gz HWFIFAADCMJAAD-KRWDZBQOSA-N 0 3 418.519 4.260 20 5 HIBDHN COC[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(Cl)c1 ZINC000515014127 922877733 /nfs/dbraw/zinc/87/77/33/922877733.db2.gz KHUODOAZUUWEAP-SFHVURJKSA-N 0 3 401.850 4.423 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528752 923157902 /nfs/dbraw/zinc/15/79/02/923157902.db2.gz NAFVTZMYQOTRPR-IERDGZPVSA-N 0 3 414.506 4.047 20 5 HIBDHN CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000518961940 927659655 /nfs/dbraw/zinc/65/96/55/927659655.db2.gz OGZVNYDEQBSQKW-IBGZPJMESA-N 0 3 415.877 4.207 20 5 HIBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000520104512 928313555 /nfs/dbraw/zinc/31/35/55/928313555.db2.gz AFCTWGJMMOJQEC-UHFFFAOYSA-N 0 3 410.396 4.209 20 5 HIBDHN O=[N+]([O-])c1cc(CNC[C@H](O)COc2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000520954702 928888884 /nfs/dbraw/zinc/88/88/84/928888884.db2.gz FESQSBHUGUEXQL-SFHVURJKSA-N 0 3 412.417 4.056 20 5 HIBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000521883176 929533864 /nfs/dbraw/zinc/53/38/64/929533864.db2.gz ISAUMKJCRYQEHV-LJQANCHMSA-N 0 3 424.526 4.331 20 5 HIBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC[C@@H](OCCO)C2)cc1 ZINC000526120839 930539137 /nfs/dbraw/zinc/53/91/37/930539137.db2.gz YXSAFOBCLUNQTH-GOSISDBHSA-N 0 3 406.866 4.014 20 5 HIBDHN CN(C)Cc1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 ZINC000530872325 930844755 /nfs/dbraw/zinc/84/47/55/930844755.db2.gz IZBNYEHBGLRMQI-UHFFFAOYSA-N 0 3 407.455 4.497 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532215441 931357423 /nfs/dbraw/zinc/35/74/23/931357423.db2.gz OQWCDBPGUOJQHN-IAGOWNOFSA-N 0 3 400.498 4.288 20 5 HIBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000532688881 931585431 /nfs/dbraw/zinc/58/54/31/931585431.db2.gz FKUXUKYCGYVPCB-INIZCTEOSA-N 0 3 412.421 4.042 20 5 HIBDHN COc1cc(CNCCc2ccncc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000533179028 931802550 /nfs/dbraw/zinc/80/25/50/931802550.db2.gz QUYILARIKIOLGI-UHFFFAOYSA-N 0 3 407.470 4.218 20 5 HIBDHN COc1cc(CNC2(c3cccc(Br)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000537606360 938332167 /nfs/dbraw/zinc/33/21/67/938332167.db2.gz CDLPNSAHFAZAAU-UHFFFAOYSA-N 0 3 421.291 4.161 20 5 HIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)o1 ZINC000537621787 938336753 /nfs/dbraw/zinc/33/67/53/938336753.db2.gz DRZGUCJIKVTFHY-LJQANCHMSA-N 0 3 400.475 4.405 20 5 HIBDHN COc1cc(CN(C)CC2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537630904 938340937 /nfs/dbraw/zinc/34/09/37/938340937.db2.gz HATKZANZRVLKQU-UHFFFAOYSA-N 0 3 400.475 4.041 20 5 HIBDHN COc1ccccc1-c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000537634412 938342045 /nfs/dbraw/zinc/34/20/45/938342045.db2.gz JLXYNDPSDLDJIO-IBGZPJMESA-N 0 3 404.470 4.352 20 5 HIBDHN CCC(CC)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000538179378 938539959 /nfs/dbraw/zinc/53/99/59/938539959.db2.gz HDYLUQTYEQSZRK-LJQANCHMSA-N 0 3 405.476 4.091 20 5 HIBDHN Cn1cnc(CCNCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)n1 ZINC000539520384 938872980 /nfs/dbraw/zinc/87/29/80/938872980.db2.gz IFCNWVMXRZFXFT-UHFFFAOYSA-N 0 3 409.490 4.145 20 5 HIBDHN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540408125 939237758 /nfs/dbraw/zinc/23/77/58/939237758.db2.gz IHBBEOZANKVKAE-HXUWFJFHSA-N 0 3 417.849 4.046 20 5 HIBDHN CC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000540554241 939303045 /nfs/dbraw/zinc/30/30/45/939303045.db2.gz METLOXYPZUDBFG-IZKUIKQZSA-N 0 3 423.513 4.350 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000541763444 939624235 /nfs/dbraw/zinc/62/42/35/939624235.db2.gz LHZSEKSWXRKNFO-IBGZPJMESA-N 0 3 419.485 4.258 20 5 HIBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952537 939661204 /nfs/dbraw/zinc/66/12/04/939661204.db2.gz QHEYNBHXDMAZJQ-CVEARBPZSA-N 0 3 407.474 4.075 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000543184431 939989787 /nfs/dbraw/zinc/98/97/87/939989787.db2.gz WQCCVXPEYOHBBR-HXUWFJFHSA-N 0 3 406.479 4.029 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3c4ccccc4sc32)cc1 ZINC000543598386 940126401 /nfs/dbraw/zinc/12/64/01/940126401.db2.gz ZOOLGLDXKCBIBM-SFHVURJKSA-N 0 3 416.524 4.250 20 5 HIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](CCO)c1ccccc1Br ZINC000543778082 940184234 /nfs/dbraw/zinc/18/42/34/940184234.db2.gz TWLBLPVLWDAUOK-KSSFIOAISA-N 0 3 407.308 4.392 20 5 HIBDHN CN(C(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000549078616 941153734 /nfs/dbraw/zinc/15/37/34/941153734.db2.gz BDIGKLVVXMTFGM-LJQANCHMSA-N 0 3 407.392 4.317 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(O[C@@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000552308181 941628367 /nfs/dbraw/zinc/62/83/67/941628367.db2.gz KJYDEDCNSWPUCG-QGZVFWFLSA-N 0 3 406.866 4.278 20 5 HIBDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552911758 941801944 /nfs/dbraw/zinc/80/19/44/941801944.db2.gz OOHVFNGPGOSCCT-AAEUAGOBSA-N 0 3 413.421 4.137 20 5 HIBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558027436 943361140 /nfs/dbraw/zinc/36/11/40/943361140.db2.gz XRKALXYKMQLZAI-NPPFBWRTSA-N 0 3 422.529 4.009 20 5 HIBDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000558226481 943445440 /nfs/dbraw/zinc/44/54/40/943445440.db2.gz OHWJSFFQZWPTDG-IBGZPJMESA-N 0 3 420.897 4.460 20 5 HIBDHN COc1cccc([C@@H]2[C@H](NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894651 943727766 /nfs/dbraw/zinc/72/77/66/943727766.db2.gz FKYHVCYCMCPGJZ-NHCUHLMSSA-N 0 3 401.894 4.324 20 5 HIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000560541487 944247512 /nfs/dbraw/zinc/24/75/12/944247512.db2.gz OIMZZIJKKFCMRG-UYKQMDHISA-N 0 3 411.502 4.171 20 5 HIBDHN C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000561533186 944659852 /nfs/dbraw/zinc/65/98/52/944659852.db2.gz IZJDXZBAEYVNNB-SFHVURJKSA-N 0 3 423.513 4.120 20 5 HIBDHN CC(C)c1ccc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000561758315 944782690 /nfs/dbraw/zinc/78/26/90/944782690.db2.gz XVEIJIUJNMCNGC-OAHLLOKOSA-N 0 3 401.429 4.141 20 5 HIBDHN C[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)cc1F ZINC000561782784 944795577 /nfs/dbraw/zinc/79/55/77/944795577.db2.gz QVFHUZKYFWRHBU-JTQLQIEISA-N 0 3 407.243 4.266 20 5 HIBDHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564760152 945752065 /nfs/dbraw/zinc/75/20/65/945752065.db2.gz MBUBSVUHIGPPNU-HSZRJFAPSA-N 0 3 419.481 4.140 20 5 HIBDHN COc1ccc(CN2CC[C@H](COC(F)F)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568565608 946602221 /nfs/dbraw/zinc/60/22/21/946602221.db2.gz WOUQNXSNMXARBH-KRWDZBQOSA-N 0 3 422.428 4.244 20 5 HIBDHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000570205580 947142333 /nfs/dbraw/zinc/14/23/33/947142333.db2.gz JRNBDLYAJGXMTG-HSZRJFAPSA-N 0 3 419.481 4.424 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)s2)cc1 ZINC000570485283 947265030 /nfs/dbraw/zinc/26/50/30/947265030.db2.gz VIUQLGRYYGVEAA-CZUORRHYSA-N 0 3 400.422 4.316 20 5 HIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000575222755 948636621 /nfs/dbraw/zinc/63/66/21/948636621.db2.gz RXWSNXKIFDYVHW-UHFFFAOYSA-N 0 3 406.433 4.031 20 5 HIBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000575977928 948806662 /nfs/dbraw/zinc/80/66/62/948806662.db2.gz YUDZGNXJOOKAMI-KRWDZBQOSA-N 0 3 408.239 4.440 20 5 HIBDHN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164619225 719056176 /nfs/dbraw/zinc/05/61/76/719056176.db2.gz CBNROVCGSUFVBK-CRAIPNDOSA-N 0 3 422.863 4.289 20 5 HIBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000436305237 861608940 /nfs/dbraw/zinc/60/89/40/861608940.db2.gz FUPMWFGOBXWTKL-LBPRGKRZSA-N 0 3 400.426 4.394 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031987784 847975966 /nfs/dbraw/zinc/97/59/66/847975966.db2.gz CFOAPKKCINSPSI-HXUWFJFHSA-N 0 3 416.547 4.069 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccccc1Cl ZINC000053278767 849689367 /nfs/dbraw/zinc/68/93/67/849689367.db2.gz JOYFLELPYLYIAZ-GOSISDBHSA-N 0 3 403.866 4.423 20 5 HIBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000060100871 851042250 /nfs/dbraw/zinc/04/22/50/851042250.db2.gz GNOIVIIGNIKEAT-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN CCN(CC)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccccc1 ZINC000060159935 851046839 /nfs/dbraw/zinc/04/68/39/851046839.db2.gz CXKNCQFTJOXHPV-OAQYLSRUSA-N 0 3 421.501 4.054 20 5 HIBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000065938999 852328096 /nfs/dbraw/zinc/32/80/96/852328096.db2.gz OBHJXWVMIVSZIO-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN CC1CCN([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006504 852462129 /nfs/dbraw/zinc/46/21/29/852462129.db2.gz IIQGAEWTNZQXED-HXUWFJFHSA-N 0 3 401.894 4.451 20 5 HIBDHN CCc1cc(NC[C@H](c2ccco2)N2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108851307 852886290 /nfs/dbraw/zinc/88/62/90/852886290.db2.gz ZVVJCMQHLVEKNJ-LJQANCHMSA-N 0 3 407.474 4.456 20 5 HIBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000195724830 853779527 /nfs/dbraw/zinc/77/95/27/853779527.db2.gz MLMWMLNEGZYXDP-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN COC(=O)/C=C\c1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000212672927 853821475 /nfs/dbraw/zinc/82/14/75/853821475.db2.gz VRARZKKYIALEPW-YPLUBFQTSA-N 0 3 401.488 4.092 20 5 HIBDHN CN1CCN(Cc2cccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)CC1 ZINC000237094734 853963117 /nfs/dbraw/zinc/96/31/17/853963117.db2.gz LUGLZFWJYVXZDK-UHFFFAOYSA-N 0 3 423.542 4.078 20 5 HIBDHN CS(=O)(=O)Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237355735 854012996 /nfs/dbraw/zinc/01/29/96/854012996.db2.gz BGDZTDACMQLGTK-UHFFFAOYSA-N 0 3 416.524 4.158 20 5 HIBDHN C[C@@H](CO[C@H]1CCOC1)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237458650 854036664 /nfs/dbraw/zinc/03/66/64/854036664.db2.gz YAJJTKHDHSOIMM-HOCLYGCPSA-N 0 3 406.866 4.324 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCCN(Cc4ccccc4)C3)cs2)c1 ZINC000238010267 854133482 /nfs/dbraw/zinc/13/34/82/854133482.db2.gz KQYGPIFWNZQWDE-IBGZPJMESA-N 0 3 408.527 4.473 20 5 HIBDHN Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302202173 854550060 /nfs/dbraw/zinc/55/00/60/854550060.db2.gz VTIPTUKNBDKUTM-IYBDPMFKSA-N 0 3 407.474 4.072 20 5 HIBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(CN2CCCC2)c1 ZINC000427598088 856883275 /nfs/dbraw/zinc/88/32/75/856883275.db2.gz AODWSBKFMYHGDP-UHFFFAOYSA-N 0 3 407.392 4.139 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437702389 863036079 /nfs/dbraw/zinc/03/60/79/863036079.db2.gz ZXPJGZOHCVKBFF-JOCHJYFZSA-N 0 3 408.502 4.106 20 5 HIBDHN CC(C)(NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431871225 858849301 /nfs/dbraw/zinc/84/93/01/858849301.db2.gz PNZBTKFORFXHTF-QGZVFWFLSA-N 0 3 402.520 4.028 20 5 HIBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000434336555 860297300 /nfs/dbraw/zinc/29/73/00/860297300.db2.gz ZKTXEGJYLHGKLV-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435054497 860617959 /nfs/dbraw/zinc/61/79/59/860617959.db2.gz CJJBSLKPBMCJRI-UHFFFAOYSA-N 0 3 409.421 4.330 20 5 HIBDHN Cc1c(NC(=O)N(CCN(C)C)C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326550 860737654 /nfs/dbraw/zinc/73/76/54/860737654.db2.gz DIIPCSTYYJLTTQ-UHFFFAOYSA-N 0 3 413.316 4.004 20 5 HIBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467807040 881630312 /nfs/dbraw/zinc/63/03/12/881630312.db2.gz LQUMCSPCKYKSLB-FZKQIMNGSA-N 0 3 415.877 4.253 20 5 HIBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000439136635 864569347 /nfs/dbraw/zinc/56/93/47/864569347.db2.gz YEHYKNLDCIZMFH-UHFFFAOYSA-N 0 3 423.435 4.055 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000439169056 864598480 /nfs/dbraw/zinc/59/84/80/864598480.db2.gz MCSHDYJIQWIPRS-UGSOOPFHSA-N 0 3 407.923 4.431 20 5 HIBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CN1C1CC1 ZINC000440925103 866022263 /nfs/dbraw/zinc/02/22/63/866022263.db2.gz KXPCHTBPXJWUHQ-CZUORRHYSA-N 0 3 415.877 4.396 20 5 HIBDHN COc1cc(CN2CC[C@H](OC)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073738 867811354 /nfs/dbraw/zinc/81/13/54/867811354.db2.gz WRPQCPSOYGPNCS-JXFKEZNVSA-N 0 3 400.475 4.182 20 5 HIBDHN Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1S(C)(=O)=O ZINC000444000756 868519914 /nfs/dbraw/zinc/51/99/14/868519914.db2.gz FQMSDHOKDJHPPU-UHFFFAOYSA-N 0 3 416.524 4.325 20 5 HIBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444244993 868693936 /nfs/dbraw/zinc/69/39/36/868693936.db2.gz CDQYEXFUFPVNIX-INIZCTEOSA-N 0 3 409.505 4.061 20 5 HIBDHN C[C@H](Cc1ccc(Br)cc1F)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446837957 870756690 /nfs/dbraw/zinc/75/66/90/870756690.db2.gz CMZVEWQUPBVGOU-SNVBAGLBSA-N 0 3 407.243 4.094 20 5 HIBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447543549 871411217 /nfs/dbraw/zinc/41/12/17/871411217.db2.gz RRFLCBAZLXPWOS-AOMKIAJQSA-N 0 3 412.509 4.214 20 5 HIBDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447886226 871800756 /nfs/dbraw/zinc/80/07/56/871800756.db2.gz OTIOKJLAYFPDIZ-AUSJPIAWSA-N 0 3 417.893 4.333 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462778768 875834972 /nfs/dbraw/zinc/83/49/72/875834972.db2.gz RZDFZJFVCXZUQX-OAQYLSRUSA-N 0 3 409.530 4.287 20 5 HIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000463963271 877087530 /nfs/dbraw/zinc/08/75/30/877087530.db2.gz ICLWTVGSJIIVEV-UHFFFAOYSA-N 0 3 404.898 4.461 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000464732517 877968466 /nfs/dbraw/zinc/96/84/66/877968466.db2.gz HKSVKILURLTFTM-GOEBONIOSA-N 0 3 401.429 4.169 20 5 HIBDHN C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000465980426 879650799 /nfs/dbraw/zinc/65/07/99/879650799.db2.gz LGUBOVNEBBYVEY-FQEVSTJZSA-N 0 3 424.545 4.224 20 5 HIBDHN C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000465980427 879651102 /nfs/dbraw/zinc/65/11/02/879651102.db2.gz LGUBOVNEBBYVEY-HXUWFJFHSA-N 0 3 424.545 4.224 20 5 HIBDHN O=C(NCCN1CCCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466603918 880373378 /nfs/dbraw/zinc/37/33/78/880373378.db2.gz IAFPXFZDUNLNNL-UHFFFAOYSA-N 0 3 405.907 4.225 20 5 HIBDHN COc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000467370013 881143021 /nfs/dbraw/zinc/14/30/21/881143021.db2.gz NOPPZHPCECDJDQ-ZHRRBRCNSA-N 0 3 400.475 4.039 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000470163261 884437749 /nfs/dbraw/zinc/43/77/49/884437749.db2.gz KQDVOJPSYDJRFC-IBGZPJMESA-N 0 3 401.532 4.203 20 5 HIBDHN COc1cc2c(c(OC)c1OC)CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470173817 884457026 /nfs/dbraw/zinc/45/70/26/884457026.db2.gz GBTGQJLULTYMDL-VBKFSLOCSA-N 0 3 412.486 4.125 20 5 HIBDHN COc1cc(CNCC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000503935559 912871582 /nfs/dbraw/zinc/87/15/82/912871582.db2.gz GNPTUOMFDLDBRV-IBGZPJMESA-N 0 3 400.475 4.231 20 5 HIBDHN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000471946976 886748499 /nfs/dbraw/zinc/74/84/99/886748499.db2.gz PUMYLOTZXURMAV-DOTOQJQBSA-N 0 3 408.380 4.181 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H]2CCCc3ccc(C(C)C)cc32)cc1[N+](=O)[O-] ZINC000474009610 888867563 /nfs/dbraw/zinc/86/75/63/888867563.db2.gz JBISZSOYPHUXOQ-HXUWFJFHSA-N 0 3 412.486 4.437 20 5 HIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000504919983 913656558 /nfs/dbraw/zinc/65/65/58/913656558.db2.gz MFVRYGFZRLMZDJ-OALUTQOASA-N 0 3 413.543 4.419 20 5 HIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CO)Cc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000477923262 893009027 /nfs/dbraw/zinc/00/90/27/893009027.db2.gz OFUVAIVSMWLBMN-UZUQRXQVSA-N 0 3 412.436 4.403 20 5 HIBDHN Cc1ccc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532009 898119532 /nfs/dbraw/zinc/11/95/32/898119532.db2.gz KCROXCPQZKDTCN-DLBZAZTESA-N 0 3 400.498 4.206 20 5 HIBDHN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cn1 ZINC000482985330 898624700 /nfs/dbraw/zinc/62/47/00/898624700.db2.gz SAGOWPFWJZDWNS-LBPRGKRZSA-N 0 3 417.263 4.301 20 5 HIBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485420472 900718250 /nfs/dbraw/zinc/71/82/50/900718250.db2.gz XBTKVHWGUQZNAB-MBSDFSHPSA-N 0 3 421.476 4.320 20 5 HIBDHN Cc1ccc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(=O)n1C ZINC000487185539 902091033 /nfs/dbraw/zinc/09/10/33/902091033.db2.gz JBUGXSISIWSABA-UHFFFAOYSA-N 0 3 413.861 4.337 20 5 HIBDHN COc1cc(CN(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)ccc1[N+](=O)[O-] ZINC000489136252 903224488 /nfs/dbraw/zinc/22/44/88/903224488.db2.gz IKPSJIKSDFWZKG-UHFFFAOYSA-N 0 3 412.465 4.208 20 5 HIBDHN CCN(Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000490355587 903949081 /nfs/dbraw/zinc/94/90/81/903949081.db2.gz QGUVHAWRFHSARU-UHFFFAOYSA-N 0 3 415.513 4.447 20 5 HIBDHN COc1ccc([C@@H]2CCN(Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000491150034 904458695 /nfs/dbraw/zinc/45/86/95/904458695.db2.gz UMNFXPJDZUXVBF-OAHLLOKOSA-N 0 3 422.428 4.245 20 5 HIBDHN Cc1cc(N2CCC(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000493249405 905066868 /nfs/dbraw/zinc/06/68/68/905066868.db2.gz PVCMECKDAFBNRL-XMMPIXPASA-N 0 3 417.513 4.350 20 5 HIBDHN COc1cc(CN[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494678737 905895431 /nfs/dbraw/zinc/89/54/31/905895431.db2.gz FVGIMNVIHLEUFI-MRXNPFEDSA-N 0 3 421.444 4.006 20 5 HIBDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497569693 907055887 /nfs/dbraw/zinc/05/58/87/907055887.db2.gz QKIVCNZQAQMMKU-LJQANCHMSA-N 0 3 411.477 4.137 20 5 HIBDHN CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2cccs2)CC1 ZINC000497781654 907274686 /nfs/dbraw/zinc/27/46/86/907274686.db2.gz ZLWJPMBQSWLTGM-LJQANCHMSA-N 0 3 424.526 4.408 20 5 HIBDHN CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000497957463 907425991 /nfs/dbraw/zinc/42/59/91/907425991.db2.gz JKXGTPDVKXRPBO-YLJYHZDGSA-N 0 3 413.543 4.371 20 5 HIBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N[C@@H]1CCOc2ccccc21 ZINC000500533991 909911732 /nfs/dbraw/zinc/91/17/32/909911732.db2.gz NWFKIYNRKRPHSD-LJQANCHMSA-N 0 3 423.494 4.053 20 5 HIBDHN C[C@@H](Cn1cncn1)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000507915458 916795662 /nfs/dbraw/zinc/79/56/62/916795662.db2.gz VFXYRIJGPFLTQC-INIZCTEOSA-N 0 3 409.490 4.454 20 5 HIBDHN C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000511322234 919911972 /nfs/dbraw/zinc/91/19/72/919911972.db2.gz GNKZGQLETOGGMV-AWEZNQCLSA-N 0 3 415.877 4.421 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2cccs2)CC1 ZINC000512055878 920825581 /nfs/dbraw/zinc/82/55/81/920825581.db2.gz HIELXCZDIKAWOV-SFHVURJKSA-N 0 3 412.515 4.341 20 5 HIBDHN CC(=O)N(C)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000512293908 921048611 /nfs/dbraw/zinc/04/86/11/921048611.db2.gz NGQGBLQBUVERFU-UHFFFAOYSA-N 0 3 417.893 4.483 20 5 HIBDHN O=[N+]([O-])c1cc(CN[C@H]2CCN(c3ccccn3)C2)ccc1Oc1ccc(F)cc1 ZINC000513507460 921855081 /nfs/dbraw/zinc/85/50/81/921855081.db2.gz UMXGUDBMQBOYQI-SFHVURJKSA-N 0 3 408.433 4.290 20 5 HIBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000513729906 922049489 /nfs/dbraw/zinc/04/94/89/922049489.db2.gz SPKJXUIDLRNTOY-YHJVDBJQSA-N 0 3 419.428 4.098 20 5 HIBDHN CSc1ccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000517547344 924258277 /nfs/dbraw/zinc/25/82/77/924258277.db2.gz WKCLEWKWVCNCLK-GOSISDBHSA-N 0 3 401.532 4.275 20 5 HIBDHN Cc1ccc(Sc2ccc(CNCCC(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 ZINC000518778142 927488269 /nfs/dbraw/zinc/48/82/69/927488269.db2.gz AESQQMCUXXGEDH-UHFFFAOYSA-N 0 3 401.532 4.449 20 5 HIBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000520104990 928313320 /nfs/dbraw/zinc/31/33/20/928313320.db2.gz BNDSFEYKNCNEMM-UHFFFAOYSA-N 0 3 419.453 4.292 20 5 HIBDHN CC(C)CCN1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000520225329 928400394 /nfs/dbraw/zinc/40/03/94/928400394.db2.gz CRWWVZOJTPLTOV-JOCHJYFZSA-N 0 3 408.502 4.174 20 5 HIBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000520312740 928474048 /nfs/dbraw/zinc/47/40/48/928474048.db2.gz PLZHIIRUVVEAMQ-OAHLLOKOSA-N 0 3 420.560 4.115 20 5 HIBDHN COc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000521819363 929475860 /nfs/dbraw/zinc/47/58/60/929475860.db2.gz AWCAXZHMPHADCF-GOSISDBHSA-N 0 3 407.873 4.323 20 5 HIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530972882 930872628 /nfs/dbraw/zinc/87/26/28/930872628.db2.gz CAQGDQGESSDSEA-XUOCYBMCSA-N 0 3 403.866 4.118 20 5 HIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000530972881 930872740 /nfs/dbraw/zinc/87/27/40/930872740.db2.gz CAQGDQGESSDSEA-SNCMPBNLSA-N 0 3 403.866 4.118 20 5 HIBDHN CN(C)Cc1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 ZINC000531110211 930923902 /nfs/dbraw/zinc/92/39/02/930923902.db2.gz VHOHHWJYZSTGSU-UHFFFAOYSA-N 0 3 407.455 4.497 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703997 931165882 /nfs/dbraw/zinc/16/58/82/931165882.db2.gz OWZYLPJEGSWVMA-SJORKVTESA-N 0 3 400.498 4.288 20 5 HIBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000532067790 931301635 /nfs/dbraw/zinc/30/16/35/931301635.db2.gz ATMLCDMVZBBPNW-ZDUSSCGKSA-N 0 3 400.788 4.031 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(Oc4ccc(F)cc4)CC3)o2)c1 ZINC000532978113 931723931 /nfs/dbraw/zinc/72/39/31/931723931.db2.gz KKGHSZLADVUVTO-UHFFFAOYSA-N 0 3 411.433 4.475 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537646614 938345379 /nfs/dbraw/zinc/34/53/79/938345379.db2.gz DUULYDHBJRWCDM-ZGRWHYIRSA-N 0 3 413.440 4.121 20 5 HIBDHN C[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCc2ccccc21 ZINC000538707722 938687416 /nfs/dbraw/zinc/68/74/16/938687416.db2.gz YQSGRLNPXRJGHY-LJQANCHMSA-N 0 3 418.291 4.137 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000539312176 938839353 /nfs/dbraw/zinc/83/93/53/938839353.db2.gz IRIBNRQCCGWIAK-KRWDZBQOSA-N 0 3 400.498 4.035 20 5 HIBDHN COc1ccc(NC(=O)CN[C@@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000540430560 939245985 /nfs/dbraw/zinc/24/59/85/939245985.db2.gz RFOCJKZMUGTJHX-OAQYLSRUSA-N 0 3 401.438 4.202 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000541555012 939554629 /nfs/dbraw/zinc/55/46/29/939554629.db2.gz GRZQXUYPJHDRFZ-CYBMUJFWSA-N 0 3 402.800 4.208 20 5 HIBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CN1C1CC1 ZINC000541724942 939614753 /nfs/dbraw/zinc/61/47/53/939614753.db2.gz NPPQTVGDOMZHTI-GOEBONIOSA-N 0 3 403.548 4.232 20 5 HIBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CN1C1CC1 ZINC000541724944 939614790 /nfs/dbraw/zinc/61/47/90/939614790.db2.gz NPPQTVGDOMZHTI-ZBFHGGJFSA-N 0 3 403.548 4.232 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000542253192 939773649 /nfs/dbraw/zinc/77/36/49/939773649.db2.gz IPQBELGUNNGYPD-WIYYLYMNSA-N 0 3 410.445 4.047 20 5 HIBDHN Cc1c(Cc2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)cccc1[N+](=O)[O-] ZINC000546487068 940833187 /nfs/dbraw/zinc/83/31/87/940833187.db2.gz ZBQYQTMGZGIDJU-GOSISDBHSA-N 0 3 410.449 4.396 20 5 HIBDHN Cc1cc(Cc2noc(-c3ccc(CN4CCSCC4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546560388 940853244 /nfs/dbraw/zinc/85/32/44/940853244.db2.gz RJINPRUUGZKTFI-UHFFFAOYSA-N 0 3 410.499 4.093 20 5 HIBDHN CCO[C@@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000546760725 940878113 /nfs/dbraw/zinc/87/81/13/940878113.db2.gz GRYKOEOUYRXPNJ-BHDDXSALSA-N 0 3 416.449 4.342 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549510513 941197525 /nfs/dbraw/zinc/19/75/25/941197525.db2.gz XWHAGAJXPNQLHF-KSSFIOAISA-N 0 3 404.898 4.220 20 5 HIBDHN CN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000549687619 941204526 /nfs/dbraw/zinc/20/45/26/941204526.db2.gz MBUIJCFRSJCHPM-ROUUACIJSA-N 0 3 415.362 4.427 20 5 HIBDHN CN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000549687617 941204559 /nfs/dbraw/zinc/20/45/59/941204559.db2.gz MBUIJCFRSJCHPM-MSOLQXFVSA-N 0 3 415.362 4.427 20 5 HIBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN(C2CCC2)C1 ZINC000553867397 941987576 /nfs/dbraw/zinc/98/75/76/941987576.db2.gz PCRPYZBVWRQBSN-KRWDZBQOSA-N 0 3 409.486 4.334 20 5 HIBDHN CCOc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000556410861 942859509 /nfs/dbraw/zinc/85/95/09/942859509.db2.gz ZJOHGNJUNRFTDW-UHFFFAOYSA-N 0 3 400.866 4.337 20 5 HIBDHN COc1cccc([C@H]2[C@H](NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000558894652 943727427 /nfs/dbraw/zinc/72/74/27/943727427.db2.gz FKYHVCYCMCPGJZ-RTWAWAEBSA-N 0 3 401.894 4.324 20 5 HIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000560541485 944248067 /nfs/dbraw/zinc/24/80/67/944248067.db2.gz OIMZZIJKKFCMRG-PBNJOUANSA-N 0 3 411.502 4.171 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4ccnc5ccccc54)CC3)co2)cc1 ZINC000561945081 944869859 /nfs/dbraw/zinc/86/98/59/944869859.db2.gz JONGHKBTWZSJRB-UHFFFAOYSA-N 0 3 415.453 4.120 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2cccc(F)c2F)CC1 ZINC000564141567 945397940 /nfs/dbraw/zinc/39/79/40/945397940.db2.gz BMRJCGPXUCBXLR-UHFFFAOYSA-N 0 3 419.428 4.090 20 5 HIBDHN C[C@@H]1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000568912229 946747167 /nfs/dbraw/zinc/74/71/67/946747167.db2.gz VULRSSFNSKYELC-IERDGZPVSA-N 0 3 408.527 4.471 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000571827989 947796849 /nfs/dbraw/zinc/79/68/49/947796849.db2.gz FGSOMHZKJVWWGD-XCLFUZPHSA-N 0 3 401.438 4.201 20 5 HIBDHN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164619226 719056520 /nfs/dbraw/zinc/05/65/20/719056520.db2.gz CBNROVCGSUFVBK-MAUKXSAKSA-N 0 3 422.863 4.289 20 5 HIBDHN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164626084 719065820 /nfs/dbraw/zinc/06/58/20/719065820.db2.gz NZWGMGHPNLCRGS-RDJZCZTQSA-N 0 3 422.863 4.289 20 5 HIBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726941 720444925 /nfs/dbraw/zinc/44/49/25/720444925.db2.gz CGXQVXMDKRWWSJ-RTBURBONSA-N 0 3 409.877 4.045 20 5 HIBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1-c1ccc(F)cc1 ZINC001164731094 720478695 /nfs/dbraw/zinc/47/86/95/720478695.db2.gz VPVAABMCAAKCTL-WOJBJXKFSA-N 0 3 419.460 4.044 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000022700524 846605918 /nfs/dbraw/zinc/60/59/18/846605918.db2.gz KSVHDENBGPLIPG-IBGZPJMESA-N 0 3 405.882 4.070 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000026226363 847107282 /nfs/dbraw/zinc/10/72/82/847107282.db2.gz XQDLHZBVRXXCTJ-UHFFFAOYSA-N 0 3 412.273 4.371 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000061503159 851391029 /nfs/dbraw/zinc/39/10/29/851391029.db2.gz SKCWBSIMWNGDAZ-QFIPXVFZSA-N 0 3 410.518 4.049 20 5 HIBDHN C[C@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000061790908 851453608 /nfs/dbraw/zinc/45/36/08/851453608.db2.gz CEYOAASGUPVGRX-INIZCTEOSA-N 0 3 414.531 4.069 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000064521832 851920504 /nfs/dbraw/zinc/92/05/04/851920504.db2.gz OYCYAKIAAIRBRH-AWEZNQCLSA-N 0 3 405.545 4.020 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000072006511 852462354 /nfs/dbraw/zinc/46/23/54/852462354.db2.gz CGKKVARFMWAGEO-FQEVSTJZSA-N 0 3 401.894 4.451 20 5 HIBDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000150248628 853641966 /nfs/dbraw/zinc/64/19/66/853641966.db2.gz XKNRGRAPBKVMHI-HXUWFJFHSA-N 0 3 413.474 4.086 20 5 HIBDHN O=[N+]([O-])c1ccccc1CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000236577324 853899868 /nfs/dbraw/zinc/89/98/68/853899868.db2.gz MCPMSYSMQTYICQ-UHFFFAOYSA-N 0 3 401.264 4.080 20 5 HIBDHN CCCC(=O)Nc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000236756050 853919720 /nfs/dbraw/zinc/91/97/20/853919720.db2.gz ZVFDBLGUENQRMF-UHFFFAOYSA-N 0 3 407.474 4.024 20 5 HIBDHN COc1ccccc1N1CC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237116763 853966580 /nfs/dbraw/zinc/96/65/80/853966580.db2.gz OKTZEHBAFSJHBI-INIZCTEOSA-N 0 3 424.526 4.343 20 5 HIBDHN COc1cc(CNCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237196976 853979332 /nfs/dbraw/zinc/97/93/32/853979332.db2.gz PNNSUNLYZOMEAO-UHFFFAOYSA-N 0 3 402.344 4.016 20 5 HIBDHN COc1cc(CNCC2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237377753 854018459 /nfs/dbraw/zinc/01/84/59/854018459.db2.gz WSFRWGFSKPISIV-UHFFFAOYSA-N 0 3 410.392 4.366 20 5 HIBDHN COc1ccc(-c2ccc(CNC[C@H](c3cccs3)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237428525 854031760 /nfs/dbraw/zinc/03/17/60/854031760.db2.gz SPSWBVLQIMQFDK-GOSISDBHSA-N 0 3 401.488 4.317 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCC(F)(F)F)o2)c(Br)c1 ZINC000237889870 854115856 /nfs/dbraw/zinc/11/58/56/854115856.db2.gz CEKMEHIAUAJPNO-UHFFFAOYSA-N 0 3 423.185 4.286 20 5 HIBDHN CC[C@]1(CO)CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428471685 857212362 /nfs/dbraw/zinc/21/23/62/857212362.db2.gz BZRJCOJUHOXQPP-DEOSSOPVSA-N 0 3 420.513 4.432 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000430999658 858399234 /nfs/dbraw/zinc/39/92/34/858399234.db2.gz MRBHCUSKPVMHDB-OAHLLOKOSA-N 0 3 401.488 4.031 20 5 HIBDHN C[C@@H](SCCN(C)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433022504 859483307 /nfs/dbraw/zinc/48/33/07/859483307.db2.gz VTBHALPOPXYVCW-CQSZACIVSA-N 0 3 407.923 4.440 20 5 HIBDHN COc1cc([C@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000433151317 859542898 /nfs/dbraw/zinc/54/28/98/859542898.db2.gz YUDVHQDCRXSVAB-IFXJQAMLSA-N 0 3 400.475 4.048 20 5 HIBDHN O=[N+]([O-])c1ccc(NC2CCN(CCOc3ccc(F)cc3)CC2)c2ncccc12 ZINC000433435814 859702739 /nfs/dbraw/zinc/70/27/39/859702739.db2.gz IXJQTJUMSGKTBL-UHFFFAOYSA-N 0 3 410.449 4.237 20 5 HIBDHN COC(=O)COc1ccc(CN(C)[C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000435298847 860725876 /nfs/dbraw/zinc/72/58/76/860725876.db2.gz OOKZPAXRJGUASN-NRFANRHFSA-N 0 3 404.438 4.115 20 5 HIBDHN Cc1c(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435328258 860740123 /nfs/dbraw/zinc/74/01/23/860740123.db2.gz KMDLXFWRTDOTOS-KRWDZBQOSA-N 0 3 421.295 4.090 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCCC2)cc1 ZINC000438021071 863380718 /nfs/dbraw/zinc/38/07/18/863380718.db2.gz GGLAOQOBURETOL-HSZRJFAPSA-N 0 3 422.529 4.414 20 5 HIBDHN COc1ccc(CN2CC[C@H](OC)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071803 867810035 /nfs/dbraw/zinc/81/00/35/867810035.db2.gz QPRREAFBTFDBJW-JXFKEZNVSA-N 0 3 400.475 4.182 20 5 HIBDHN COc1ccc(OCCN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])c1 ZINC000443650903 868246889 /nfs/dbraw/zinc/24/68/89/868246889.db2.gz JJCCKYUEZATDRK-CQSZACIVSA-N 0 3 415.421 4.142 20 5 HIBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444012066 868534833 /nfs/dbraw/zinc/53/48/33/868534833.db2.gz UVKIEHGWIPIKEP-INIZCTEOSA-N 0 3 423.532 4.451 20 5 HIBDHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000446975626 870874130 /nfs/dbraw/zinc/87/41/30/870874130.db2.gz RYJHOULIFKYXKO-AWEZNQCLSA-N 0 3 413.503 4.152 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529190 871392376 /nfs/dbraw/zinc/39/23/76/871392376.db2.gz KUEDAKKYQCIQEX-VQIMIIECSA-N 0 3 410.392 4.021 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1CCSC1)c1ccccc1 ZINC000447797848 871734126 /nfs/dbraw/zinc/73/41/26/871734126.db2.gz OIOUPSIZPVGDTM-ACJLOTCBSA-N 0 3 405.907 4.271 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000462991201 876005307 /nfs/dbraw/zinc/00/53/07/876005307.db2.gz UISSVTHXYGFKEW-KNQAVFIVSA-N 0 3 409.530 4.287 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463161218 876216003 /nfs/dbraw/zinc/21/60/03/876216003.db2.gz MXFZTKUMMICTHI-CJNGLKHVSA-N 0 3 407.392 4.179 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466513079 880287210 /nfs/dbraw/zinc/28/72/10/880287210.db2.gz GYAMZCPYQAXBJD-GHTZIAJQSA-N 0 3 410.518 4.178 20 5 HIBDHN COc1ccccc1NC(=O)C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470171743 884451753 /nfs/dbraw/zinc/45/17/53/884451753.db2.gz NXEYBNTUKFGSPX-VKAVYKQESA-N 0 3 409.486 4.357 20 5 HIBDHN CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470888062 885384518 /nfs/dbraw/zinc/38/45/18/885384518.db2.gz JWHBHADVPNNSQF-QHCPKHFHSA-N 0 3 424.545 4.224 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474349693 889227115 /nfs/dbraw/zinc/22/71/15/889227115.db2.gz ABBBOXMLRUCEPI-IBNJYYFUSA-N 0 3 418.877 4.287 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2cccc(F)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474378756 889253982 /nfs/dbraw/zinc/25/39/82/889253982.db2.gz ZMAXXGKXVJQWKI-HXUWFJFHSA-N 0 3 404.438 4.163 20 5 HIBDHN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475170950 890037205 /nfs/dbraw/zinc/03/72/05/890037205.db2.gz BLSQQRLFQXDVPJ-NQIIRXRSSA-N 0 3 410.518 4.270 20 5 HIBDHN COc1ccc(CN2CCC[C@](C)(OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475286234 890185851 /nfs/dbraw/zinc/18/58/51/890185851.db2.gz PISANKRUVGHFOS-QFIPXVFZSA-N 0 3 400.475 4.183 20 5 HIBDHN COc1cccc(N2CC[C@H](NCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2)c1 ZINC000477221724 892157424 /nfs/dbraw/zinc/15/74/24/892157424.db2.gz RPFFTCMMLAJCJG-INIZCTEOSA-N 0 3 423.469 4.241 20 5 HIBDHN Cc1ccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000477616084 892713058 /nfs/dbraw/zinc/71/30/58/892713058.db2.gz YIPYBMHSRJBUFU-LJQANCHMSA-N 0 3 401.894 4.432 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC2CCN(Cc3ccc(Br)cc3)CC2)c(F)c1 ZINC000478251103 893425364 /nfs/dbraw/zinc/42/53/64/893425364.db2.gz FVOMTBFLWLRGKH-UHFFFAOYSA-N 0 3 422.298 4.251 20 5 HIBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479419349 894728504 /nfs/dbraw/zinc/72/85/04/894728504.db2.gz WZOGYRVDJGDARC-UHFFFAOYSA-N 0 3 401.850 4.029 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000479892941 895238456 /nfs/dbraw/zinc/23/84/56/895238456.db2.gz OVTPBJIQSWMDGX-CYBMUJFWSA-N 0 3 408.271 4.113 20 5 HIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000482532012 898119501 /nfs/dbraw/zinc/11/95/01/898119501.db2.gz KCROXCPQZKDTCN-IAGOWNOFSA-N 0 3 400.498 4.206 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000482901259 898520767 /nfs/dbraw/zinc/52/07/67/898520767.db2.gz DDKINIMUCRHJQH-IBGZPJMESA-N 0 3 401.438 4.298 20 5 HIBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483400217 899033708 /nfs/dbraw/zinc/03/37/08/899033708.db2.gz CZCRUGSFGNXGJU-ZDUSSCGKSA-N 0 3 409.408 4.166 20 5 HIBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485079567 900396779 /nfs/dbraw/zinc/39/67/79/900396779.db2.gz PONMIPUMNMSJKX-UHFFFAOYSA-N 0 3 416.909 4.028 20 5 HIBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486351982 901522470 /nfs/dbraw/zinc/52/24/70/901522470.db2.gz QSCCWOMKEPVHPY-UHFFFAOYSA-N 0 3 419.481 4.165 20 5 HIBDHN O=[N+]([O-])c1cc(CNCCN2CCSCC2)ccc1Oc1ccccc1Cl ZINC000489061601 903164876 /nfs/dbraw/zinc/16/48/76/903164876.db2.gz BGSANFZUGWSAPR-UHFFFAOYSA-N 0 3 407.923 4.179 20 5 HIBDHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000506017370 914694267 /nfs/dbraw/zinc/69/42/67/914694267.db2.gz QYYLZTXKOUAHBG-UHFFFAOYSA-N 0 3 410.474 4.035 20 5 HIBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489867866 903640158 /nfs/dbraw/zinc/64/01/58/903640158.db2.gz CHYBEZQLXDZRJF-JOCHJYFZSA-N 0 3 408.502 4.106 20 5 HIBDHN COc1cc(CN(C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490550595 904094575 /nfs/dbraw/zinc/09/45/75/904094575.db2.gz WZLVHIBVMXQBSG-MRXNPFEDSA-N 0 3 414.449 4.171 20 5 HIBDHN Cc1cc(NC(=O)C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 ZINC000506257573 914867790 /nfs/dbraw/zinc/86/77/90/914867790.db2.gz DAQIVWJJPOGVEV-UHFFFAOYSA-N 0 3 410.430 4.002 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493307837 905081772 /nfs/dbraw/zinc/08/17/72/905081772.db2.gz BESBVFSBQVSTKU-RTBURBONSA-N 0 3 410.518 4.270 20 5 HIBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601415 905170795 /nfs/dbraw/zinc/17/07/95/905170795.db2.gz HDMJQSKLANLACJ-ROUUACIJSA-N 0 3 414.449 4.075 20 5 HIBDHN O=C(Nc1ccc(O)cc1)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000512609620 921259539 /nfs/dbraw/zinc/25/95/39/921259539.db2.gz OEKJXBSCXNBNPV-UHFFFAOYSA-N 0 3 421.453 4.411 20 5 HIBDHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000497872173 907348758 /nfs/dbraw/zinc/34/87/58/907348758.db2.gz RCNXTVVMDIRJQR-UHFFFAOYSA-N 0 3 401.894 4.029 20 5 HIBDHN C[C@H]1CCN(C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498718083 908143198 /nfs/dbraw/zinc/14/31/98/908143198.db2.gz BKOXNVXWJZPLDK-AWEZNQCLSA-N 0 3 403.866 4.207 20 5 HIBDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000499359457 908729565 /nfs/dbraw/zinc/72/95/65/908729565.db2.gz LHFYWDFHOBFHCI-UHFFFAOYSA-N 0 3 409.408 4.126 20 5 HIBDHN O=C(NC[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000513091267 921541083 /nfs/dbraw/zinc/54/10/83/921541083.db2.gz ZBDCMSMTBTYXHX-GOSISDBHSA-N 0 3 419.481 4.497 20 5 HIBDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)CC1 ZINC000502900156 911891612 /nfs/dbraw/zinc/89/16/12/911891612.db2.gz XPBUKLUUPQSRFO-UHFFFAOYSA-N 0 3 408.458 4.124 20 5 HIBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000506477154 915080625 /nfs/dbraw/zinc/08/06/25/915080625.db2.gz MJQHBIIYATZFIH-NRFANRHFSA-N 0 3 408.527 4.425 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CN(Cc4ccccc4)CCC3(F)F)n2)cc1 ZINC000508020551 916857671 /nfs/dbraw/zinc/85/76/71/916857671.db2.gz HQMUMVMFPAPCCN-KRWDZBQOSA-N 0 3 400.385 4.270 20 5 HIBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508589098 917361048 /nfs/dbraw/zinc/36/10/48/917361048.db2.gz PIBBMBLZGUXFCX-HXUWFJFHSA-N 0 3 421.419 4.008 20 5 HIBDHN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1)N(C)C ZINC000508848213 917600594 /nfs/dbraw/zinc/60/05/94/917600594.db2.gz OVIFLNOUINQRAP-YVEFUNNKSA-N 0 3 408.405 4.009 20 5 HIBDHN C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)C1 ZINC000509562394 918211915 /nfs/dbraw/zinc/21/19/15/918211915.db2.gz VXOYJAPZXNKYGZ-KRWDZBQOSA-N 0 3 411.502 4.325 20 5 HIBDHN COc1ccc(CN(C)C[C@@H]2CCCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000511640286 920304685 /nfs/dbraw/zinc/30/46/85/920304685.db2.gz LULWXTCAXHODHJ-FQEVSTJZSA-N 0 3 400.475 4.183 20 5 HIBDHN CC1CCN([C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000518708188 927447645 /nfs/dbraw/zinc/44/76/45/927447645.db2.gz BBPAUZCVPZJVSM-SFHVURJKSA-N 0 3 417.531 4.015 20 5 HIBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000520130308 928328305 /nfs/dbraw/zinc/32/83/05/928328305.db2.gz ROFUHAMIAKPBRV-OAHLLOKOSA-N 0 3 404.898 4.083 20 5 HIBDHN CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000520318466 928481050 /nfs/dbraw/zinc/48/10/50/928481050.db2.gz QLADGTWKGNIBSI-KRWDZBQOSA-N 0 3 415.877 4.349 20 5 HIBDHN CCCN(CCN(C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525349772 930189132 /nfs/dbraw/zinc/18/91/32/930189132.db2.gz ZLWKBMBFYREQBX-UHFFFAOYSA-N 0 3 405.882 4.454 20 5 HIBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000530679968 930796815 /nfs/dbraw/zinc/79/68/15/930796815.db2.gz GEDCCHMAGWAGCP-KRWDZBQOSA-N 0 3 413.543 4.198 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703989 931165809 /nfs/dbraw/zinc/16/58/09/931165809.db2.gz OWZYLPJEGSWVMA-DLBZAZTESA-N 0 3 400.498 4.288 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000532215443 931356948 /nfs/dbraw/zinc/35/69/48/931356948.db2.gz OQWCDBPGUOJQHN-SJORKVTESA-N 0 3 400.498 4.288 20 5 HIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000533140504 931781020 /nfs/dbraw/zinc/78/10/20/931781020.db2.gz CFDPYJVPQKDXKR-ZDUSSCGKSA-N 0 3 403.866 4.366 20 5 HIBDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000533220071 931813017 /nfs/dbraw/zinc/81/30/17/931813017.db2.gz FZNGRDTXHATAKI-UHFFFAOYSA-N 0 3 410.499 4.096 20 5 HIBDHN C[C@@H]1C[C@H](CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000537770770 938373417 /nfs/dbraw/zinc/37/34/17/938373417.db2.gz CDPZUVLHQWEGPD-SXGZJXTBSA-N 0 3 417.893 4.333 20 5 HIBDHN Cc1ccc(Br)cc1NC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537978818 938445516 /nfs/dbraw/zinc/44/55/16/938445516.db2.gz HWMLSUWYTMGLHN-ZDUSSCGKSA-N 0 3 406.280 4.345 20 5 HIBDHN Cn1cc(CNCc2cc(F)cc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538336410 938596644 /nfs/dbraw/zinc/59/66/44/938596644.db2.gz XSRUAHNTILXNJE-UHFFFAOYSA-N 0 3 419.254 4.187 20 5 HIBDHN COc1cccc(NC2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000538729708 938694825 /nfs/dbraw/zinc/69/48/25/938694825.db2.gz MQEOIBJIJDTJQA-UHFFFAOYSA-N 0 3 421.501 4.080 20 5 HIBDHN COc1ccc(CN[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000539125987 938807183 /nfs/dbraw/zinc/80/71/83/938807183.db2.gz KZIHRWCVWLZQRQ-KZULUSFZSA-N 0 3 409.280 4.232 20 5 HIBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)cc1 ZINC000539243412 938824574 /nfs/dbraw/zinc/82/45/74/938824574.db2.gz MAJINMRHCJFGEX-MRXNPFEDSA-N 0 3 422.279 4.045 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccc(F)cc2F)CCCC1 ZINC000539333791 938843438 /nfs/dbraw/zinc/84/34/38/938843438.db2.gz MSKUXKSOENPWLQ-UHFFFAOYSA-N 0 3 419.428 4.269 20 5 HIBDHN Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Oc1cccnc1 ZINC000539838631 938953716 /nfs/dbraw/zinc/95/37/16/938953716.db2.gz URSSPAOEHIPQOR-SFHVURJKSA-N 0 3 405.458 4.172 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccccc1OC(C)C ZINC000540326718 939195917 /nfs/dbraw/zinc/19/59/17/939195917.db2.gz XRJHAJQOYDKQQG-HNNXBMFYSA-N 0 3 401.463 4.070 20 5 HIBDHN Cc1ccccc1[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000540591942 939313592 /nfs/dbraw/zinc/31/35/92/939313592.db2.gz LSUMUGQIYQNNMF-LJQANCHMSA-N 0 3 418.291 4.345 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC000542467994 939828072 /nfs/dbraw/zinc/82/80/72/939828072.db2.gz GFPVWPGPASFLJC-UHFFFAOYSA-N 0 3 414.815 4.421 20 5 HIBDHN C[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542531316 939838606 /nfs/dbraw/zinc/83/86/06/939838606.db2.gz IPVINXCEYFMVPL-OAHLLOKOSA-N 0 3 417.506 4.067 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](Cc1ccccc1)c1cccs1 ZINC000543453450 940067830 /nfs/dbraw/zinc/06/78/30/940067830.db2.gz OKEQCHKJBQPAKK-GOSISDBHSA-N 0 3 411.483 4.177 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000544464614 940442252 /nfs/dbraw/zinc/44/22/52/940442252.db2.gz WRZXZQSYRIGSFG-QVKFZJNVSA-N 0 3 417.481 4.045 20 5 HIBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000546761232 940878514 /nfs/dbraw/zinc/87/85/14/940878514.db2.gz XPXBVMCRCFJFRW-JXFKEZNVSA-N 0 3 406.866 4.324 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cnc(SC3CCCC3)nc2)c1 ZINC000549923711 941239581 /nfs/dbraw/zinc/23/95/81/941239581.db2.gz NBVJSKYDIBXVDD-UHFFFAOYSA-N 0 3 424.473 4.353 20 5 HIBDHN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000550713397 941357670 /nfs/dbraw/zinc/35/76/70/941357670.db2.gz DEGNGVOSJDNIJP-CYBMUJFWSA-N 0 3 412.412 4.002 20 5 HIBDHN Cn1ccnc1[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552068042 941578507 /nfs/dbraw/zinc/57/85/07/941578507.db2.gz GLHCUOGRIVDVRT-ISKFKSNPSA-N 0 3 419.529 4.062 20 5 HIBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000554932427 942324220 /nfs/dbraw/zinc/32/42/20/942324220.db2.gz JDAVOUWAZFPOSD-UHFFFAOYSA-N 0 3 407.392 4.008 20 5 HIBDHN Cc1nccnc1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000555621424 942673902 /nfs/dbraw/zinc/67/39/02/942673902.db2.gz WIFUQCZBSZHALT-UHFFFAOYSA-N 0 3 417.263 4.048 20 5 HIBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1 ZINC000556151015 942811764 /nfs/dbraw/zinc/81/17/64/942811764.db2.gz DJUAHUWZQOYSSL-UHFFFAOYSA-N 0 3 421.419 4.350 20 5 HIBDHN CCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000560553886 944251950 /nfs/dbraw/zinc/25/19/50/944251950.db2.gz NQBLRODCKCWFTN-MORSLUCNSA-N 0 3 414.449 4.230 20 5 HIBDHN Nc1nccc([C@@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)n1 ZINC000565331205 945812587 /nfs/dbraw/zinc/81/25/87/945812587.db2.gz GPNAWSHAMQBXPE-CYBMUJFWSA-N 0 3 413.865 4.260 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000565736551 945874542 /nfs/dbraw/zinc/87/45/42/945874542.db2.gz GLMZAFIKDTZWOV-UTKZUKDTSA-N 0 3 415.559 4.305 20 5 HIBDHN CCC[C@]1(CO)CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000568800599 946700699 /nfs/dbraw/zinc/70/06/99/946700699.db2.gz OFHILJMKWGVCGI-QHCPKHFHSA-N 0 3 414.502 4.167 20 5 HIBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006992745 845232819 /nfs/dbraw/zinc/23/28/19/845232819.db2.gz KOAPBNHWINZFNY-UHFFFAOYSA-N 0 3 418.497 4.199 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCC1CCC1)c1ccccc1 ZINC000030449841 847716816 /nfs/dbraw/zinc/71/68/16/847716816.db2.gz GLSNWYHCHOLGDT-SFHVURJKSA-N 0 3 418.291 4.427 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000042145871 848292857 /nfs/dbraw/zinc/29/28/57/848292857.db2.gz TWKYONDORCUVJG-KDOFPFPSSA-N 0 3 413.474 4.313 20 5 HIBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000059387280 851003067 /nfs/dbraw/zinc/00/30/67/851003067.db2.gz LBBOIXPMQYDDCO-QGZVFWFLSA-N 0 3 410.392 4.018 20 5 HIBDHN CC1CCN(c2ccc(C(=O)N(CCN(C)C)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000063829524 851773310 /nfs/dbraw/zinc/77/33/10/851773310.db2.gz GTKDYUZYJWGFPF-UHFFFAOYSA-N 0 3 410.518 4.040 20 5 HIBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032466 852474513 /nfs/dbraw/zinc/47/45/13/852474513.db2.gz IOIXGUQQEGATMY-KXBFYZLASA-N 0 3 400.866 4.396 20 5 HIBDHN COc1cc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000437249868 862473428 /nfs/dbraw/zinc/47/34/28/862473428.db2.gz KZMIYHQQHBRLML-SAZUREKKSA-N 0 3 410.392 4.422 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000236984503 853947528 /nfs/dbraw/zinc/94/75/28/853947528.db2.gz NGESWLUIWPVPAX-KRWDZBQOSA-N 0 3 400.498 4.035 20 5 HIBDHN COc1cc(CNCCc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237197401 853979609 /nfs/dbraw/zinc/97/96/09/853979609.db2.gz XKVIBEQNFBFXRZ-UHFFFAOYSA-N 0 3 420.334 4.155 20 5 HIBDHN C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000237495711 854045374 /nfs/dbraw/zinc/04/53/74/854045374.db2.gz TXZMYTNWWQTPTO-APWZRJJASA-N 0 3 408.527 4.471 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CN3CCOCC3)c3ccccc3)s2)cc1 ZINC000238003151 854131609 /nfs/dbraw/zinc/13/16/09/854131609.db2.gz QYFFQPUCRDMUGA-QFIPXVFZSA-N 0 3 423.538 4.486 20 5 HIBDHN CN1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301692940 854446289 /nfs/dbraw/zinc/44/62/89/854446289.db2.gz ONGCPZCMBLWIRG-XHDPSFHLSA-N 0 3 411.325 4.309 20 5 HIBDHN Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302202171 854548696 /nfs/dbraw/zinc/54/86/96/854548696.db2.gz VTIPTUKNBDKUTM-HZPDHXFCSA-N 0 3 407.474 4.072 20 5 HIBDHN Cc1c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000303427885 854929219 /nfs/dbraw/zinc/92/92/19/854929219.db2.gz FAOHLQKHANGNEI-UHFFFAOYSA-N 0 3 401.894 4.295 20 5 HIBDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437496954 862853690 /nfs/dbraw/zinc/85/36/90/862853690.db2.gz YXFYMEAGBVAICE-LJQANCHMSA-N 0 3 411.477 4.137 20 5 HIBDHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000429227083 857563991 /nfs/dbraw/zinc/56/39/91/857563991.db2.gz CRVJWRIFFZSMFA-MRXNPFEDSA-N 0 3 410.449 4.142 20 5 HIBDHN CCc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)cc1 ZINC000437703704 863038182 /nfs/dbraw/zinc/03/81/82/863038182.db2.gz QGGVRKVQZSMREO-QFIPXVFZSA-N 0 3 410.518 4.134 20 5 HIBDHN CC[C@H]1CN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000467554088 881376597 /nfs/dbraw/zinc/37/65/97/881376597.db2.gz NVYXZWFGBCEKPW-FQEVSTJZSA-N 0 3 400.475 4.183 20 5 HIBDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000434305140 860267741 /nfs/dbraw/zinc/26/77/41/860267741.db2.gz BJZFYSUKCSVIES-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439817282 865134397 /nfs/dbraw/zinc/13/43/97/865134397.db2.gz AWYXEQCLVFGZNZ-CVEARBPZSA-N 0 3 400.454 4.329 20 5 HIBDHN COc1cc(CN2CC[C@H](OC)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443073743 867811861 /nfs/dbraw/zinc/81/18/61/867811861.db2.gz WRPQCPSOYGPNCS-UZLBHIALSA-N 0 3 400.475 4.182 20 5 HIBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444236805 868685835 /nfs/dbraw/zinc/68/58/35/868685835.db2.gz HNQKEQTWICXPQO-UHFFFAOYSA-N 0 3 413.521 4.322 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561628 871453998 /nfs/dbraw/zinc/45/39/98/871453998.db2.gz IUKXVHKCGICLOL-VQIMIIECSA-N 0 3 410.392 4.021 20 5 HIBDHN COc1cc(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484244 877703530 /nfs/dbraw/zinc/70/35/30/877703530.db2.gz BMAFHFVXFNGEOI-HNNXBMFYSA-N 0 3 417.485 4.288 20 5 HIBDHN COc1cc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])cc1F ZINC000464484244 877703544 /nfs/dbraw/zinc/70/35/44/877703544.db2.gz BMAFHFVXFNGEOI-HNNXBMFYSA-N 0 3 417.485 4.288 20 5 HIBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000464738692 877973593 /nfs/dbraw/zinc/97/35/93/877973593.db2.gz SZJNSCXXFKFKCG-LSDHHAIUSA-N 0 3 401.429 4.169 20 5 HIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464845244 878117700 /nfs/dbraw/zinc/11/77/00/878117700.db2.gz LWNHUXKSEGFCSK-ROUUACIJSA-N 0 3 421.501 4.302 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1c1ccccc1Cl ZINC000503495227 912542673 /nfs/dbraw/zinc/54/26/73/912542673.db2.gz UKHUVIJMOLZOOM-KRWDZBQOSA-N 0 3 401.850 4.383 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000466571221 880347237 /nfs/dbraw/zinc/34/72/37/880347237.db2.gz BSTGRWXZUOISRR-KRWDZBQOSA-N 0 3 410.927 4.192 20 5 HIBDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470521010 884911979 /nfs/dbraw/zinc/91/19/79/884911979.db2.gz SNJUQIQDYWENKK-UHFFFAOYSA-N 0 3 423.469 4.086 20 5 HIBDHN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000471547775 886256847 /nfs/dbraw/zinc/25/68/47/886256847.db2.gz OEANJURMXMKRSO-BFUOFWGJSA-N 0 3 407.923 4.148 20 5 HIBDHN CCOC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000473071438 887890401 /nfs/dbraw/zinc/89/04/01/887890401.db2.gz HYTXBZZYTUBJDR-UHFFFAOYSA-N 0 3 423.263 4.050 20 5 HIBDHN COc1ccc(-c2ccc(CN3CC[C@]4(C3)OCc3ccccc34)o2)c([N+](=O)[O-])c1 ZINC000473115474 887912728 /nfs/dbraw/zinc/91/27/28/887912728.db2.gz BJQQGMZDBWNGCM-HSZRJFAPSA-N 0 3 406.438 4.495 20 5 HIBDHN Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc(N2CCN(C(C)C)CC2)c1 ZINC000482057279 897484810 /nfs/dbraw/zinc/48/48/10/897484810.db2.gz XSWYSIDBDMQNEC-UHFFFAOYSA-N 0 3 421.501 4.167 20 5 HIBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483400214 899033398 /nfs/dbraw/zinc/03/33/98/899033398.db2.gz CZCRUGSFGNXGJU-CYBMUJFWSA-N 0 3 409.408 4.166 20 5 HIBDHN C[C@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483739978 899401552 /nfs/dbraw/zinc/40/15/52/899401552.db2.gz HARRISMHTYQQKD-HNNXBMFYSA-N 0 3 422.451 4.216 20 5 HIBDHN C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483739980 899401808 /nfs/dbraw/zinc/40/18/08/899401808.db2.gz HARRISMHTYQQKD-OAHLLOKOSA-N 0 3 422.451 4.216 20 5 HIBDHN COc1ccc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000484411421 899933396 /nfs/dbraw/zinc/93/33/96/899933396.db2.gz ZTURNFLOGQOCSD-UHFFFAOYSA-N 0 3 415.515 4.066 20 5 HIBDHN Cc1ccc(C)c(N2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000486251847 901434238 /nfs/dbraw/zinc/43/42/38/901434238.db2.gz OTCLNKKTKULMCW-UHFFFAOYSA-N 0 3 406.486 4.231 20 5 HIBDHN CN(C)[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000486373091 901538858 /nfs/dbraw/zinc/53/88/58/901538858.db2.gz OWQGCWNEPPNRQP-HSZRJFAPSA-N 0 3 419.481 4.207 20 5 HIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486450961 901610298 /nfs/dbraw/zinc/61/02/98/901610298.db2.gz LRWKAVPNEYYLBY-WFLBIRGASA-N 0 3 417.469 4.107 20 5 HIBDHN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000487182096 902089701 /nfs/dbraw/zinc/08/97/01/902089701.db2.gz ABGIIQLVFNYQKH-HRAATJIYSA-N 0 3 404.470 4.078 20 5 HIBDHN CCCN(Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000490587671 904120482 /nfs/dbraw/zinc/12/04/82/904120482.db2.gz JHGVBOGNOQFPEO-UHFFFAOYSA-N 0 3 401.486 4.022 20 5 HIBDHN COc1ccc(Cl)cc1NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490817112 904263398 /nfs/dbraw/zinc/26/33/98/904263398.db2.gz GFYOWRGVEUYLHV-UHFFFAOYSA-N 0 3 403.866 4.250 20 5 HIBDHN Cc1ccc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1[N+](=O)[O-] ZINC000506123896 914812455 /nfs/dbraw/zinc/81/24/55/914812455.db2.gz DIZLVPQKYWECBI-HNNXBMFYSA-N 0 3 419.407 4.344 20 5 HIBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000506147096 914824724 /nfs/dbraw/zinc/82/47/24/914824724.db2.gz HFDSPYXPSPGVOC-AWEZNQCLSA-N 0 3 405.380 4.036 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000492938070 904960162 /nfs/dbraw/zinc/96/01/62/904960162.db2.gz SSXOTELQVFNWLN-WIYYLYMNSA-N 0 3 410.518 4.270 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493307835 905082054 /nfs/dbraw/zinc/08/20/54/905082054.db2.gz BESBVFSBQVSTKU-OALUTQOASA-N 0 3 410.518 4.270 20 5 HIBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000493601413 905169945 /nfs/dbraw/zinc/16/99/45/905169945.db2.gz HDMJQSKLANLACJ-MSOLQXFVSA-N 0 3 414.449 4.075 20 5 HIBDHN O=C(CC(F)(F)F)N1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494005398 905346279 /nfs/dbraw/zinc/34/62/79/905346279.db2.gz YUVGEPLKSMSXKR-HXUWFJFHSA-N 0 3 421.419 4.217 20 5 HIBDHN Cc1ccc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000494986900 906151605 /nfs/dbraw/zinc/15/16/05/906151605.db2.gz HDLJYYIMSTWBIX-QHCPKHFHSA-N 0 3 424.522 4.228 20 5 HIBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000495357190 906398361 /nfs/dbraw/zinc/39/83/61/906398361.db2.gz FZOZHCBINQDGGZ-SFHVURJKSA-N 0 3 410.392 4.018 20 5 HIBDHN C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCOC1 ZINC000502620098 911645863 /nfs/dbraw/zinc/64/58/63/911645863.db2.gz GMBHCHBHHMJJOZ-NBQZKYEYSA-N 0 3 417.893 4.333 20 5 HIBDHN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000506471580 915068886 /nfs/dbraw/zinc/06/88/86/915068886.db2.gz DKZRYFJXISDXRW-UHFFFAOYSA-N 0 3 421.856 4.117 20 5 HIBDHN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000506474409 915074944 /nfs/dbraw/zinc/07/49/44/915074944.db2.gz MNWDMYVQSWUHJY-UHFFFAOYSA-N 0 3 421.856 4.117 20 5 HIBDHN Cn1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506664058 915340947 /nfs/dbraw/zinc/34/09/47/915340947.db2.gz VBOOSZLNTONXLP-UHFFFAOYSA-N 0 3 414.469 4.161 20 5 HIBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508589097 917361357 /nfs/dbraw/zinc/36/13/57/917361357.db2.gz PIBBMBLZGUXFCX-FQEVSTJZSA-N 0 3 421.419 4.008 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000509266844 917955436 /nfs/dbraw/zinc/95/54/36/917955436.db2.gz ZTKRCLKCHYNCMK-JOCHJYFZSA-N 0 3 410.518 4.352 20 5 HIBDHN CCOc1ccc(C2=CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000509461171 918111149 /nfs/dbraw/zinc/11/11/49/918111149.db2.gz DYSMTQXGJQDSAZ-UHFFFAOYSA-N 0 3 409.486 4.420 20 5 HIBDHN O=C(Nc1ccccc1)N1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000509961934 918552702 /nfs/dbraw/zinc/55/27/02/918552702.db2.gz AILBEWFDJUMSDW-KRWDZBQOSA-N 0 3 406.442 4.251 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000515528754 923157433 /nfs/dbraw/zinc/15/74/33/923157433.db2.gz NAFVTZMYQOTRPR-IIBYNOLFSA-N 0 3 414.506 4.047 20 5 HIBDHN CSc1ccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000517547345 924258650 /nfs/dbraw/zinc/25/86/50/924258650.db2.gz WKCLEWKWVCNCLK-SFHVURJKSA-N 0 3 401.532 4.275 20 5 HIBDHN O=[N+]([O-])c1ccc(OCCNCc2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000517581113 926693880 /nfs/dbraw/zinc/69/38/80/926693880.db2.gz DHYZFQPIMJQFEQ-UHFFFAOYSA-N 0 3 406.486 4.302 20 5 HIBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000520312739 928474008 /nfs/dbraw/zinc/47/40/08/928474008.db2.gz PLZHIIRUVVEAMQ-HNNXBMFYSA-N 0 3 420.560 4.115 20 5 HIBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)COc2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000520954701 928888697 /nfs/dbraw/zinc/88/86/97/928888697.db2.gz FESQSBHUGUEXQL-GOSISDBHSA-N 0 3 412.417 4.056 20 5 HIBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000521182662 929047945 /nfs/dbraw/zinc/04/79/45/929047945.db2.gz VQMGPHLWCLLUTP-GOSISDBHSA-N 0 3 410.518 4.040 20 5 HIBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3csc(-c4ccc5c(c4)OCO5)n3)c2c1 ZINC000521501305 929255412 /nfs/dbraw/zinc/25/54/12/929255412.db2.gz GOZMRWMKRUSNGP-UHFFFAOYSA-N 0 3 422.466 4.261 20 5 HIBDHN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000524945195 929907043 /nfs/dbraw/zinc/90/70/43/929907043.db2.gz ONZDORKERQHSAV-MHECFPHRSA-N 0 3 421.497 4.234 20 5 HIBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354446 930192930 /nfs/dbraw/zinc/19/29/30/930192930.db2.gz JJUQNHCPMRFSNI-WIYYLYMNSA-N 0 3 410.518 4.052 20 5 HIBDHN CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531677203 931147549 /nfs/dbraw/zinc/14/75/49/931147549.db2.gz KGHCRVGQDIFSAX-KKSFZXQISA-N 0 3 419.547 4.427 20 5 HIBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000531775502 931192121 /nfs/dbraw/zinc/19/21/21/931192121.db2.gz XPACIFZMJBCIHM-UHFFFAOYSA-N 0 3 422.485 4.004 20 5 HIBDHN CCOc1ccc([C@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000532902235 931685711 /nfs/dbraw/zinc/68/57/11/931685711.db2.gz WGGQFKAQGRNHPY-LJQANCHMSA-N 0 3 411.458 4.129 20 5 HIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000533140503 931780782 /nfs/dbraw/zinc/78/07/82/931780782.db2.gz CFDPYJVPQKDXKR-CYBMUJFWSA-N 0 3 403.866 4.366 20 5 HIBDHN CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000533147242 931785206 /nfs/dbraw/zinc/78/52/06/931785206.db2.gz FWIPZHSPELAIRP-IBGZPJMESA-N 0 3 407.392 4.012 20 5 HIBDHN CN1CCN(Cc2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 ZINC000533211995 931810926 /nfs/dbraw/zinc/81/09/26/931810926.db2.gz YQKRFGKMDWJVFU-UHFFFAOYSA-N 0 3 423.542 4.078 20 5 HIBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533369212 931850988 /nfs/dbraw/zinc/85/09/88/931850988.db2.gz BUDGLRLDAUUQTF-MRXNPFEDSA-N 0 3 412.421 4.042 20 5 HIBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513694 931890608 /nfs/dbraw/zinc/89/06/08/931890608.db2.gz OQQJCZHVGFVURT-ZUOKHONESA-N 0 3 401.438 4.201 20 5 HIBDHN COc1ccc(CNc2cc(CN(C)C)ccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537506879 933796866 /nfs/dbraw/zinc/79/68/66/933796866.db2.gz FOQRBMYCJJURAE-UHFFFAOYSA-N 0 3 422.485 4.251 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(c4ncccc4F)C3)o2)c(Cl)c1 ZINC000538420405 938616442 /nfs/dbraw/zinc/61/64/42/938616442.db2.gz PHYIBMYPUUNHQQ-CYBMUJFWSA-N 0 3 416.840 4.411 20 5 HIBDHN COc1ccc(OCCN2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320613 939193368 /nfs/dbraw/zinc/19/33/68/939193368.db2.gz GFQWWVKQZCQLEY-INIZCTEOSA-N 0 3 410.474 4.047 20 5 HIBDHN COc1ccc(OCCN2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540320613 939193371 /nfs/dbraw/zinc/19/33/71/939193371.db2.gz GFQWWVKQZCQLEY-INIZCTEOSA-N 0 3 410.474 4.047 20 5 HIBDHN COC[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)c(F)c1 ZINC000540423189 939242980 /nfs/dbraw/zinc/24/29/80/939242980.db2.gz KMGIEMXVICVETI-SFHVURJKSA-N 0 3 403.385 4.048 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2nc(-c3ccncc3)cs2)c1 ZINC000540616127 939320787 /nfs/dbraw/zinc/32/07/87/939320787.db2.gz DMNKEHFXRPZKGI-UHFFFAOYSA-N 0 3 406.414 4.047 20 5 HIBDHN COc1cc(CNc2cccc(N(C)C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000541015379 939431520 /nfs/dbraw/zinc/43/15/20/939431520.db2.gz RMFBJIHYKWTNHK-UHFFFAOYSA-N 0 3 408.458 4.256 20 5 HIBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000542253188 939773568 /nfs/dbraw/zinc/77/35/68/939773568.db2.gz IPQBELGUNNGYPD-NQIIRXRSSA-N 0 3 410.445 4.047 20 5 HIBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000542525490 939837173 /nfs/dbraw/zinc/83/71/73/939837173.db2.gz JTNGBXSNFZMZOO-LJQANCHMSA-N 0 3 416.524 4.004 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000543620782 940136094 /nfs/dbraw/zinc/13/60/94/940136094.db2.gz MWDMPSMEPGDSST-SFHVURJKSA-N 0 3 411.506 4.135 20 5 HIBDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543810639 940194034 /nfs/dbraw/zinc/19/40/34/940194034.db2.gz YWUYCGPHFZMFAF-ZDUSSCGKSA-N 0 3 413.865 4.032 20 5 HIBDHN Cc1cc(Cc2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] ZINC000545146219 940550624 /nfs/dbraw/zinc/55/06/24/940550624.db2.gz XTWQNTWLMDSHLW-SFHVURJKSA-N 0 3 410.449 4.396 20 5 HIBDHN Cc1cc(Br)cn2cc(CCNCc3ccc([N+](=O)[O-])cc3Cl)nc12 ZINC000546971525 940931487 /nfs/dbraw/zinc/93/14/87/940931487.db2.gz QLNWQUTVYOKJTB-UHFFFAOYSA-N 0 3 423.698 4.299 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000549085655 941155196 /nfs/dbraw/zinc/15/51/96/941155196.db2.gz FNHNBRVRURONAD-JOCHJYFZSA-N 0 3 411.502 4.197 20 5 HIBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 ZINC000549088051 941155400 /nfs/dbraw/zinc/15/54/00/941155400.db2.gz RHTVFAYFDLSAHF-GOSISDBHSA-N 0 3 409.408 4.209 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(O[C@H]4CCOC4)CC3)o2)c(Cl)c1 ZINC000552308180 941628516 /nfs/dbraw/zinc/62/85/16/941628516.db2.gz KJYDEDCNSWPUCG-KRWDZBQOSA-N 0 3 406.866 4.278 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000554374633 942117670 /nfs/dbraw/zinc/11/76/70/942117670.db2.gz VPTSQTIGGZEKIG-GJZGRUSLSA-N 0 3 404.339 4.362 20 5 HIBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000557837535 943309127 /nfs/dbraw/zinc/30/91/27/943309127.db2.gz OMDPULRUNVWTGK-MRXNPFEDSA-N 0 3 405.564 4.289 20 5 HIBDHN CCCN(CCN1CCCCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000558583540 943608274 /nfs/dbraw/zinc/60/82/74/943608274.db2.gz NGUJTRJKCNXZRE-UHFFFAOYSA-N 0 3 405.542 4.410 20 5 HIBDHN Cn1ccnc1[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549892 944251364 /nfs/dbraw/zinc/25/13/64/944251364.db2.gz IOJXHSHDOMCYJH-ISKFKSNPSA-N 0 3 419.529 4.062 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000565741316 945876933 /nfs/dbraw/zinc/87/69/33/945876933.db2.gz JZKZIWXBDGRLKV-MRXNPFEDSA-N 0 3 401.532 4.346 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000571827987 947796667 /nfs/dbraw/zinc/79/66/67/947796667.db2.gz FGSOMHZKJVWWGD-RBZFPXEDSA-N 0 3 401.438 4.201 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000571827990 947796936 /nfs/dbraw/zinc/79/69/36/947796936.db2.gz FGSOMHZKJVWWGD-ZUOKHONESA-N 0 3 401.438 4.201 20 5 HIBDHN Cc1ccc2c(c1)CC[C@H]2NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000573409260 948194687 /nfs/dbraw/zinc/19/46/87/948194687.db2.gz LSVYQPHYFZVKKA-QGZVFWFLSA-N 0 3 408.239 4.285 20 5 HIBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000015549885 846062054 /nfs/dbraw/zinc/06/20/54/846062054.db2.gz BGHWOTAJKSIRBN-GOSISDBHSA-N 0 3 406.280 4.283 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CCN(CC(F)(F)F)CC3)cs2)c1 ZINC000436403085 861750134 /nfs/dbraw/zinc/75/01/34/861750134.db2.gz FWCOJLSOLOFOOO-UHFFFAOYSA-N 0 3 414.453 4.082 20 5 HIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000029174342 847520669 /nfs/dbraw/zinc/52/06/69/847520669.db2.gz VYLUDGVNDCALAY-NRFANRHFSA-N 0 3 413.543 4.129 20 5 HIBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000031232820 847848122 /nfs/dbraw/zinc/84/81/22/847848122.db2.gz HZZJRXLTTYQKJX-IRXDYDNUSA-N 0 3 410.518 4.391 20 5 HIBDHN CN(C)Cc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000046681053 848908695 /nfs/dbraw/zinc/90/86/95/848908695.db2.gz VBHGTUWTBKCDQH-UHFFFAOYSA-N 0 3 410.396 4.116 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000053158001 849673314 /nfs/dbraw/zinc/67/33/14/849673314.db2.gz UYTSCYZDBGGDCD-SFHVURJKSA-N 0 3 403.866 4.423 20 5 HIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNCCN3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000060807059 851218634 /nfs/dbraw/zinc/21/86/34/851218634.db2.gz JQQZNGDPPGSCGS-UHFFFAOYSA-N 0 3 413.518 4.241 20 5 HIBDHN COc1ccc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000061003277 851269601 /nfs/dbraw/zinc/26/96/01/851269601.db2.gz VUTUJCRWHKFVQU-UHFFFAOYSA-N 0 3 408.454 4.481 20 5 HIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110478365 853105346 /nfs/dbraw/zinc/10/53/46/853105346.db2.gz WFBDVOZZKULIMK-INIZCTEOSA-N 0 3 412.421 4.042 20 5 HIBDHN CSc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000195744385 853791270 /nfs/dbraw/zinc/79/12/70/853791270.db2.gz JQENWWZWCITUPU-UHFFFAOYSA-N 0 3 417.556 4.160 20 5 HIBDHN CCCOc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000236949737 853941578 /nfs/dbraw/zinc/94/15/78/853941578.db2.gz DTPYHMLWZBUDCO-UHFFFAOYSA-N 0 3 410.474 4.083 20 5 HIBDHN C[C@H]1CN(c2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cn2)CCO1 ZINC000237546590 854052648 /nfs/dbraw/zinc/05/26/48/854052648.db2.gz LGXPAEHHURATIN-INIZCTEOSA-N 0 3 424.526 4.233 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCc2nc(-c3ccncc3)cs2)c1 ZINC000237819421 854103032 /nfs/dbraw/zinc/10/30/32/854103032.db2.gz RBMAWISKCZSKAI-UHFFFAOYSA-N 0 3 420.441 4.437 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCN(c4ccc(F)cc4)C3)cs2)c1 ZINC000237865894 854110777 /nfs/dbraw/zinc/11/07/77/854110777.db2.gz SRJDIAAVSCLMCJ-OAHLLOKOSA-N 0 3 412.490 4.474 20 5 HIBDHN Cn1cc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931765 854121008 /nfs/dbraw/zinc/12/10/08/854121008.db2.gz MZDSGEKXRFUTLP-UHFFFAOYSA-N 0 3 422.485 4.240 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3(N4CCSCC4)CCCC3)cs2)c1 ZINC000238005883 854132809 /nfs/dbraw/zinc/13/28/09/854132809.db2.gz FTIKANKYHLKUOX-UHFFFAOYSA-N 0 3 418.588 4.170 20 5 HIBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000251223130 854197324 /nfs/dbraw/zinc/19/73/24/854197324.db2.gz IOIXGUQQEGATMY-HNAYVOBHSA-N 0 3 400.866 4.396 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000303046285 854737424 /nfs/dbraw/zinc/73/74/24/854737424.db2.gz QSXCTGUWNYTDAO-LJQANCHMSA-N 0 3 407.392 4.296 20 5 HIBDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000303540327 855025723 /nfs/dbraw/zinc/02/57/23/855025723.db2.gz JLPFYAHVTDTWMK-SFHVURJKSA-N 0 3 421.501 4.004 20 5 HIBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000434325568 860285885 /nfs/dbraw/zinc/28/58/85/860285885.db2.gz JDUIJYPTAJLMLB-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000434988454 860587357 /nfs/dbraw/zinc/58/73/57/860587357.db2.gz SHINTVCGXGSIFW-QGZVFWFLSA-N 0 3 417.893 4.389 20 5 HIBDHN COc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443071804 867810092 /nfs/dbraw/zinc/81/00/92/867810092.db2.gz QPRREAFBTFDBJW-OXJNMPFZSA-N 0 3 400.475 4.182 20 5 HIBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444012069 868534377 /nfs/dbraw/zinc/53/43/77/868534377.db2.gz UVKIEHGWIPIKEP-MRXNPFEDSA-N 0 3 423.532 4.451 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000446494672 870410723 /nfs/dbraw/zinc/41/07/23/870410723.db2.gz MXOFGQWBOLJVMP-HXUWFJFHSA-N 0 3 400.479 4.116 20 5 HIBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000446838042 870756973 /nfs/dbraw/zinc/75/69/73/870756973.db2.gz DLCRRKAUACYAIC-IBGZPJMESA-N 0 3 405.502 4.476 20 5 HIBDHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)n1 ZINC000446975627 870873816 /nfs/dbraw/zinc/87/38/16/870873816.db2.gz RYJHOULIFKYXKO-CQSZACIVSA-N 0 3 413.503 4.152 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000447526590 871391246 /nfs/dbraw/zinc/39/12/46/871391246.db2.gz DCSYIZCDYRKPPB-ZIAGYGMSSA-N 0 3 400.813 4.320 20 5 HIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000447537455 871401157 /nfs/dbraw/zinc/40/11/57/871401157.db2.gz WBWYNQFEGOWSTK-PMACEKPBSA-N 0 3 411.437 4.391 20 5 HIBDHN COc1cccc(Oc2ncccc2CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543787 871411911 /nfs/dbraw/zinc/41/19/11/871411911.db2.gz MIXTXBKCYNROQW-UXHICEINSA-N 0 3 423.473 4.261 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCCCF)c1ccccc1 ZINC000461095218 874012166 /nfs/dbraw/zinc/01/21/66/874012166.db2.gz CEMXOHBDUSHVOC-KRWDZBQOSA-N 0 3 424.270 4.376 20 5 HIBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463247887 876305035 /nfs/dbraw/zinc/30/50/35/876305035.db2.gz YMNPTHHONHONDH-UHFFFAOYSA-N 0 3 407.392 4.008 20 5 HIBDHN O=C(c1ccccc1Cl)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000463283721 876341231 /nfs/dbraw/zinc/34/12/31/876341231.db2.gz PDIQZXWIWKSQSC-UHFFFAOYSA-N 0 3 408.285 4.296 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000463578657 876678070 /nfs/dbraw/zinc/67/80/70/876678070.db2.gz VLOYDRMAYDYKEX-IBGZPJMESA-N 0 3 421.419 4.489 20 5 HIBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463709822 876829035 /nfs/dbraw/zinc/82/90/35/876829035.db2.gz LGEKMLGGJGLRNA-MRXNPFEDSA-N 0 3 407.392 4.008 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000464777725 878020987 /nfs/dbraw/zinc/02/09/87/878020987.db2.gz NDUHZFFKZZAMRI-UHFFFAOYSA-N 0 3 408.458 4.121 20 5 HIBDHN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000471547776 886256499 /nfs/dbraw/zinc/25/64/99/886256499.db2.gz OEANJURMXMKRSO-DJJJIMSYSA-N 0 3 407.923 4.148 20 5 HIBDHN COc1cc(CNCCc2cccc(C)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475280422 890177791 /nfs/dbraw/zinc/17/77/91/890177791.db2.gz NHWYGVFUMZBMGZ-UHFFFAOYSA-N 0 3 407.470 4.218 20 5 HIBDHN COc1cc(CN2CCC[C@](C)(OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475292592 890196575 /nfs/dbraw/zinc/19/65/75/890196575.db2.gz TXZPBUJWCPMHEF-QFIPXVFZSA-N 0 3 400.475 4.183 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@]3(CO)Cc3ccccc3)cs2)c1 ZINC000475375181 890304234 /nfs/dbraw/zinc/30/42/34/890304234.db2.gz OZUJJEQHIJNHIV-JOCHJYFZSA-N 0 3 409.511 4.288 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cc2cccc(F)c2o1 ZINC000475718151 890656726 /nfs/dbraw/zinc/65/67/26/890656726.db2.gz XPQLXMZGOKWJEO-GFCCVEGCSA-N 0 3 401.394 4.168 20 5 HIBDHN CCOc1ccc([C@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1[N+](=O)[O-] ZINC000504905082 913639095 /nfs/dbraw/zinc/63/90/95/913639095.db2.gz BUXNKWGCQFWBRS-KRWDZBQOSA-N 0 3 407.470 4.054 20 5 HIBDHN COc1cc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125155 895499876 /nfs/dbraw/zinc/49/98/76/895499876.db2.gz NNOSAXJXHWYUFH-GUYCJALGSA-N 0 3 420.428 4.228 20 5 HIBDHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481007045 896338813 /nfs/dbraw/zinc/33/88/13/896338813.db2.gz YETWMWQKNRFSII-KKSFZXQISA-N 0 3 414.506 4.045 20 5 HIBDHN CCC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482256651 897738380 /nfs/dbraw/zinc/73/83/80/897738380.db2.gz NFEITABSEYCBEG-RBUKOAKNSA-N 0 3 401.532 4.451 20 5 HIBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000489418377 903376025 /nfs/dbraw/zinc/37/60/25/903376025.db2.gz KMCYMYITIOCKRP-UHFFFAOYSA-N 0 3 411.483 4.185 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000489600619 903489906 /nfs/dbraw/zinc/48/99/06/903489906.db2.gz VFZUDDQGCVAUKY-UTKZUKDTSA-N 0 3 413.543 4.337 20 5 HIBDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000489945412 903690331 /nfs/dbraw/zinc/69/03/31/903690331.db2.gz ALPOXWGSGHUNTA-HXUWFJFHSA-N 0 3 420.460 4.098 20 5 HIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](c2ccccc2)N2CCOCC2)c2ccccc2)c1 ZINC000491356262 904553499 /nfs/dbraw/zinc/55/34/99/904553499.db2.gz LEMWFWXVLJTVIM-LOSJGSFVSA-N 0 3 417.509 4.347 20 5 HIBDHN Cn1c(=O)c(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc2ccccc21 ZINC000491428532 904592136 /nfs/dbraw/zinc/59/21/36/904592136.db2.gz FVTBHHYYHBCIAO-UHFFFAOYSA-N 0 3 405.479 4.465 20 5 HIBDHN O=C(Nc1ccccc1O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506163224 914829964 /nfs/dbraw/zinc/82/99/64/914829964.db2.gz IWEGUERFTNXISP-UHFFFAOYSA-N 0 3 421.453 4.411 20 5 HIBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1 ZINC000506221024 914850374 /nfs/dbraw/zinc/85/03/74/914850374.db2.gz YBBSWGLHYSMJGR-UHFFFAOYSA-N 0 3 415.291 4.390 20 5 HIBDHN Cc1ccc([C@H](NCCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493279606 905078343 /nfs/dbraw/zinc/07/83/43/905078343.db2.gz YZJCSBHHXLOVNU-QHCPKHFHSA-N 0 3 424.522 4.228 20 5 HIBDHN COc1ccc2[nH]cc(C3=CCN(CCC(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000500124440 909607104 /nfs/dbraw/zinc/60/71/04/909607104.db2.gz NQCYCVBMFSDCJJ-UHFFFAOYSA-N 0 3 420.469 4.203 20 5 HIBDHN O=C(NC[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)c1ccccc1 ZINC000513091269 921541133 /nfs/dbraw/zinc/54/11/33/921541133.db2.gz ZBDCMSMTBTYXHX-SFHVURJKSA-N 0 3 419.481 4.497 20 5 HIBDHN CC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCOCC1 ZINC000500858847 910132243 /nfs/dbraw/zinc/13/22/43/910132243.db2.gz MYJYTUZJFJGFMJ-IBGZPJMESA-N 0 3 417.893 4.334 20 5 HIBDHN CN(CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000507476335 916246574 /nfs/dbraw/zinc/24/65/74/916246574.db2.gz FOGNAJULFJPVIS-UHFFFAOYSA-N 0 3 418.497 4.069 20 5 HIBDHN CN(CCc1cnccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508656294 917421486 /nfs/dbraw/zinc/42/14/86/917421486.db2.gz MNIMWBWHIRGVSK-UHFFFAOYSA-N 0 3 417.263 4.082 20 5 HIBDHN C[C@@H](CN1CCCC1=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000509598760 918248110 /nfs/dbraw/zinc/24/81/10/918248110.db2.gz GOLHYZAWCHBLDG-AWEZNQCLSA-N 0 3 403.866 4.141 20 5 HIBDHN CC(C)CN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000511056267 919652626 /nfs/dbraw/zinc/65/26/26/919652626.db2.gz KTWODJMOHUANHJ-UHFFFAOYSA-N 0 3 416.566 4.024 20 5 HIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCC1CCOCC1)c1ccccc1 ZINC000512232632 920986617 /nfs/dbraw/zinc/98/66/17/920986617.db2.gz CVOANMKOTLFWFO-FQEVSTJZSA-N 0 3 417.893 4.334 20 5 HIBDHN COC(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1OC ZINC000513510471 921857930 /nfs/dbraw/zinc/85/79/30/921857930.db2.gz CVIASWLFIZZIJY-UHFFFAOYSA-N 0 3 412.467 4.408 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(C)c2)CC1 ZINC000515284832 923033837 /nfs/dbraw/zinc/03/38/37/923033837.db2.gz AXZFINUOOGPOFV-UHFFFAOYSA-N 0 3 408.458 4.044 20 5 HIBDHN COc1ccc([C@H](Cc2ccccc2)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000518262992 927120054 /nfs/dbraw/zinc/12/00/54/927120054.db2.gz ZVKGHSWWCSBATI-QHCPKHFHSA-N 0 3 419.481 4.424 20 5 HIBDHN CCN1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000520312178 928473779 /nfs/dbraw/zinc/47/37/79/928473779.db2.gz OHDRADZUQCULHN-UHFFFAOYSA-N 0 3 403.866 4.208 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525354443 930192789 /nfs/dbraw/zinc/19/27/89/930192789.db2.gz JJUQNHCPMRFSNI-RXVVDRJESA-N 0 3 410.518 4.052 20 5 HIBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000532689013 931585974 /nfs/dbraw/zinc/58/59/74/931585974.db2.gz FHPICMNDQDXYRU-INIZCTEOSA-N 0 3 412.421 4.042 20 5 HIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000535293695 933055662 /nfs/dbraw/zinc/05/56/62/933055662.db2.gz KIPMEYPNUXWITM-UHFFFAOYSA-N 0 3 412.490 4.079 20 5 HIBDHN COc1ccccc1-c1ccc([C@@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000535584868 933255559 /nfs/dbraw/zinc/25/55/59/933255559.db2.gz UTDSLBJXCCQLFF-QGZVFWFLSA-N 0 3 407.470 4.125 20 5 HIBDHN C[C@@H]1C[C@@H](CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000537770759 938373226 /nfs/dbraw/zinc/37/32/26/938373226.db2.gz 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ZINC000433151315 859542602 /nfs/dbraw/zinc/54/26/02/859542602.db2.gz YUDVHQDCRXSVAB-AUUYWEPGSA-N 0 3 400.475 4.048 20 5 HIBDHN CC1(C)C[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433174315 859553850 /nfs/dbraw/zinc/55/38/50/859553850.db2.gz MYHDGXYCIYRKMX-JOCHJYFZSA-N 0 3 403.482 4.317 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302878 859626990 /nfs/dbraw/zinc/62/69/90/859626990.db2.gz YUGIQYTYHJQOOF-OAHLLOKOSA-N 0 3 401.850 4.036 20 5 HIBDHN CCn1nccc1C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000435029726 860606540 /nfs/dbraw/zinc/60/65/40/860606540.db2.gz ZSQAJAWSAXRBFK-UHFFFAOYSA-N 0 3 410.474 4.459 20 5 HIBDHN Cc1ccc(Sc2ccc(CNCC3([S@](C)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000435736748 861018700 /nfs/dbraw/zinc/01/87/00/861018700.db2.gz YSSFRDGFRLYMEJ-MHZLTWQESA-N 0 3 404.557 4.445 20 5 HIBDHN C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000467856418 881706488 /nfs/dbraw/zinc/70/64/88/881706488.db2.gz YPYMEZYLMLPUKS-CQSZACIVSA-N 0 3 420.307 4.057 20 5 HIBDHN COc1ccc([C@@H](CNc2cc(C)nc3c2cccc3[N+](=O)[O-])N(C)C)cc1OC ZINC000443442311 868028083 /nfs/dbraw/zinc/02/80/83/868028083.db2.gz CIOOJGZRGQKBJL-LJQANCHMSA-N 0 3 410.474 4.183 20 5 HIBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444245001 868693435 /nfs/dbraw/zinc/69/34/35/868693435.db2.gz CDQYEXFUFPVNIX-MRXNPFEDSA-N 0 3 409.505 4.061 20 5 HIBDHN COc1cccc(Oc2ncccc2CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543786 871410550 /nfs/dbraw/zinc/41/05/50/871410550.db2.gz MIXTXBKCYNROQW-PMACEKPBSA-N 0 3 423.473 4.261 20 5 HIBDHN CN(C)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1cccs1 ZINC000447675128 871609533 /nfs/dbraw/zinc/60/95/33/871609533.db2.gz KPCVXULICHOPBH-NSHDSACASA-N 0 3 410.368 4.420 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462158500 875254659 /nfs/dbraw/zinc/25/46/59/875254659.db2.gz LXZDPGYXLJSYMQ-UZLBHIALSA-N 0 3 413.543 4.346 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000462621717 875733483 /nfs/dbraw/zinc/73/34/83/875733483.db2.gz RZDKCRBPAVSZKU-KNQAVFIVSA-N 0 3 409.530 4.287 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000462991203 876006084 /nfs/dbraw/zinc/00/60/84/876006084.db2.gz UISSVTHXYGFKEW-UGKGYDQZSA-N 0 3 409.530 4.287 20 5 HIBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000503455871 912479111 /nfs/dbraw/zinc/47/91/11/912479111.db2.gz AKBZTKGHNMZTEO-LJQANCHMSA-N 0 3 423.469 4.173 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000470173217 884454537 /nfs/dbraw/zinc/45/45/37/884454537.db2.gz JXOSEWCTOGOKHL-LFIBNONCSA-N 0 3 423.469 4.078 20 5 HIBDHN COc1cc2c(c(OC)c1OC)CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470173816 884456402 /nfs/dbraw/zinc/45/64/02/884456402.db2.gz GBTGQJLULTYMDL-FOWTUZBSSA-N 0 3 412.486 4.125 20 5 HIBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000472234855 887041635 /nfs/dbraw/zinc/04/16/35/887041635.db2.gz UAAVOGVDFGUHNC-OAHLLOKOSA-N 0 3 411.325 4.113 20 5 HIBDHN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000477232671 892173249 /nfs/dbraw/zinc/17/32/49/892173249.db2.gz JFFZUPUAGLRJRD-HXPMCKFVSA-N 0 3 403.866 4.325 20 5 HIBDHN CCS(=O)(=O)c1c(Cl)cccc1CNCCCCc1ccc([N+](=O)[O-])cc1 ZINC000479446442 894763549 /nfs/dbraw/zinc/76/35/49/894763549.db2.gz BKXDLKZYXKIMEM-UHFFFAOYSA-N 0 3 410.923 4.154 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(F)c1 ZINC000480043284 895392477 /nfs/dbraw/zinc/39/24/77/895392477.db2.gz HTSPZCRGJKRDIU-UHFFFAOYSA-N 0 3 410.449 4.143 20 5 HIBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1cn2cc(Br)ccc2n1)C1CC1 ZINC000480891164 896248100 /nfs/dbraw/zinc/24/81/00/896248100.db2.gz UOJKKYGEOOGNIP-KRWDZBQOSA-N 0 3 415.291 4.116 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000487852752 902406956 /nfs/dbraw/zinc/40/69/56/902406956.db2.gz BYEURXJUTQNXDX-SFHVURJKSA-N 0 3 404.536 4.274 20 5 HIBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](COc2ccccc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000489027016 903131009 /nfs/dbraw/zinc/13/10/09/903131009.db2.gz KYIGCMWVPOKLHJ-QRWLVFNGSA-N 0 3 417.481 4.453 20 5 HIBDHN O=[N+]([O-])c1cccc([C@@H](NCCCn2cc(Br)cn2)c2ccccc2)c1 ZINC000490436965 904009664 /nfs/dbraw/zinc/00/96/64/904009664.db2.gz UCLJQJCDURQAAV-IBGZPJMESA-N 0 3 415.291 4.323 20 5 HIBDHN Cc1ccc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1[N+](=O)[O-] ZINC000506123901 914812622 /nfs/dbraw/zinc/81/26/22/914812622.db2.gz DIZLVPQKYWECBI-OAHLLOKOSA-N 0 3 419.407 4.344 20 5 HIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2)c1 ZINC000491309893 904528615 /nfs/dbraw/zinc/52/86/15/904528615.db2.gz ZPSKCJGTLSGLAF-JTHBVZDNSA-N 0 3 423.538 4.409 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000492960264 904968565 /nfs/dbraw/zinc/96/85/65/904968565.db2.gz LUYQVWKJJAEBDR-MOPGFXCFSA-N 0 3 410.518 4.270 20 5 HIBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000493074851 905009513 /nfs/dbraw/zinc/00/95/13/905009513.db2.gz DYNGXAMPOALYAC-HNNXBMFYSA-N 0 3 420.460 4.016 20 5 HIBDHN Cc1c(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cccc1[N+](=O)[O-] ZINC000493819294 905227433 /nfs/dbraw/zinc/22/74/33/905227433.db2.gz MNMQYIXJEMDNPQ-HNNXBMFYSA-N 0 3 419.407 4.344 20 5 HIBDHN CN(C)Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000494274505 905597419 /nfs/dbraw/zinc/59/74/19/905597419.db2.gz QOUACRKODKEUAQ-UHFFFAOYSA-N 0 3 405.454 4.488 20 5 HIBDHN Cc1c(NC(=O)CCN(C)Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000494275071 905598236 /nfs/dbraw/zinc/59/82/36/905598236.db2.gz WEEZJRUEKZAZCJ-UHFFFAOYSA-N 0 3 424.270 4.265 20 5 HIBDHN Cc1ccnc(-c2nnc([C@H](C)[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])[n-]2)c1 ZINC000494375500 905672186 /nfs/dbraw/zinc/67/21/86/905672186.db2.gz QEDHAUXVJYJLDH-LZLYRXPVSA-N 0 3 406.490 4.145 20 5 HIBDHN COc1ccc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000513012756 921476392 /nfs/dbraw/zinc/47/63/92/921476392.db2.gz SQGXSDVQZGBUKE-IBGZPJMESA-N 0 3 410.392 4.114 20 5 HIBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000500411206 909842655 /nfs/dbraw/zinc/84/26/55/909842655.db2.gz QWZUXSCUAAGHEY-LJQANCHMSA-N 0 3 424.545 4.035 20 5 HIBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513084131 921536329 /nfs/dbraw/zinc/53/63/29/921536329.db2.gz SQDUQXLUKMCRDA-VQIMIIECSA-N 0 3 405.882 4.291 20 5 HIBDHN Cn1cc(CN2CCC(N3CCc4ccccc43)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502355978 911339402 /nfs/dbraw/zinc/33/94/02/911339402.db2.gz SNRCMTFVPKUDSS-UHFFFAOYSA-N 0 3 417.513 4.022 20 5 HIBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513259580 921663959 /nfs/dbraw/zinc/66/39/59/921663959.db2.gz CNDCGQWECQAOOY-LJQANCHMSA-N 0 3 422.510 4.113 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000502509589 911514301 /nfs/dbraw/zinc/51/43/01/911514301.db2.gz VVNSJAZEYXBXEQ-AWEZNQCLSA-N 0 3 415.437 4.488 20 5 HIBDHN C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCOC1 ZINC000502620097 911646091 /nfs/dbraw/zinc/64/60/91/911646091.db2.gz GMBHCHBHHMJJOZ-DKICVRJWSA-N 0 3 417.893 4.333 20 5 HIBDHN C[C@H](Cn1cncn1)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000507915459 916794587 /nfs/dbraw/zinc/79/45/87/916794587.db2.gz VFXYRIJGPFLTQC-MRXNPFEDSA-N 0 3 409.490 4.454 20 5 HIBDHN Cc1ccc(NC(=O)C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)nc1 ZINC000507983335 916828116 /nfs/dbraw/zinc/82/81/16/916828116.db2.gz BMOXTXVXFVJRIG-UHFFFAOYSA-N 0 3 420.469 4.409 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000509374442 918038867 /nfs/dbraw/zinc/03/88/67/918038867.db2.gz UVXSIIRYYXLFKQ-LJQANCHMSA-N 0 3 416.547 4.413 20 5 HIBDHN CCOc1ccc(C2=CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000509431285 918089295 /nfs/dbraw/zinc/08/92/95/918089295.db2.gz MVTUSMOZSLDRQZ-UHFFFAOYSA-N 0 3 409.486 4.420 20 5 HIBDHN Cn1cc(CN2CCC(COc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510684859 919122816 /nfs/dbraw/zinc/12/28/16/919122816.db2.gz UAEGMPMKTPCAFX-UHFFFAOYSA-N 0 3 406.486 4.286 20 5 HIBDHN CC(C)CN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000511050270 919641166 /nfs/dbraw/zinc/64/11/66/919641166.db2.gz WIWSOSQMHDSIHX-SFHVURJKSA-N 0 3 416.566 4.024 20 5 HIBDHN CCN(Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)C[C@@H]1CCCO1 ZINC000511495156 920106611 /nfs/dbraw/zinc/10/66/11/920106611.db2.gz NAUNYUZFPIEFPA-FQEVSTJZSA-N 0 3 400.475 4.183 20 5 HIBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511739038 920409573 /nfs/dbraw/zinc/40/95/73/920409573.db2.gz BJTHVOSIDYEYCX-FCHUYYIVSA-N 0 3 415.493 4.301 20 5 HIBDHN CN(c1ccccc1)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000512370090 921109705 /nfs/dbraw/zinc/10/97/05/921109705.db2.gz KSTOXQRMFJWECA-UHFFFAOYSA-N 0 3 405.502 4.096 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000518522762 927325270 /nfs/dbraw/zinc/32/52/70/927325270.db2.gz MHWSKQRXWLKVGV-LJQANCHMSA-N 0 3 420.897 4.461 20 5 HIBDHN CC1CCN([C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000519843324 928090849 /nfs/dbraw/zinc/09/08/49/928090849.db2.gz QEDFEHXVINVAHL-GOSISDBHSA-N 0 3 423.485 4.066 20 5 HIBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000524892773 929875822 /nfs/dbraw/zinc/87/58/22/929875822.db2.gz MQYAEHCNPGRRFD-UXHICEINSA-N 0 3 404.507 4.411 20 5 HIBDHN COc1cc(CNCCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000527037398 930573918 /nfs/dbraw/zinc/57/39/18/930573918.db2.gz NBPGKICTIYIHSQ-UHFFFAOYSA-N 0 3 420.334 4.155 20 5 HIBDHN CC(=O)N1CC[C@@H](NCc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)C1 ZINC000531610145 931124653 /nfs/dbraw/zinc/12/46/53/931124653.db2.gz KJVRRVJYSFGLKA-LJQANCHMSA-N 0 3 411.502 4.395 20 5 HIBDHN CN(C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000533147243 931785676 /nfs/dbraw/zinc/78/56/76/931785676.db2.gz FWIPZHSPELAIRP-LJQANCHMSA-N 0 3 407.392 4.012 20 5 HIBDHN O=C(c1ccccc1)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533215545 931811979 /nfs/dbraw/zinc/81/19/79/931811979.db2.gz YOLMJNHEAHYSMY-UHFFFAOYSA-N 0 3 405.454 4.387 20 5 HIBDHN Cc1c(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000533508425 931888748 /nfs/dbraw/zinc/88/87/48/931888748.db2.gz PXIVNFWNUHBFCZ-INIZCTEOSA-N 0 3 400.454 4.076 20 5 HIBDHN COc1ccc(OC)c(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000536093668 933642307 /nfs/dbraw/zinc/64/23/07/933642307.db2.gz AKOGEKPXTAJJPO-UHFFFAOYSA-N 0 3 413.499 4.458 20 5 HIBDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000537626856 938338441 /nfs/dbraw/zinc/33/84/41/938338441.db2.gz GQZZSCWFCGVRNK-INIZCTEOSA-N 0 3 404.850 4.283 20 5 HIBDHN CNC(=O)CC1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000539822597 938945067 /nfs/dbraw/zinc/94/50/67/938945067.db2.gz PASGQPVFISAEOR-UHFFFAOYSA-N 0 3 417.893 4.389 20 5 HIBDHN Cc1c([C@@H](C)NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000540191682 939116785 /nfs/dbraw/zinc/11/67/85/939116785.db2.gz QBYKFKGSAZPKGS-SOLBZPMBSA-N 0 3 411.502 4.003 20 5 HIBDHN COc1ccc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000540405070 939236690 /nfs/dbraw/zinc/23/66/90/939236690.db2.gz WKPDNXWBRSTIIZ-FQEVSTJZSA-N 0 3 403.866 4.326 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000540408015 939237379 /nfs/dbraw/zinc/23/73/79/939237379.db2.gz OCIPDGLNCBVBNA-SJORKVTESA-N 0 3 400.498 4.288 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522138 939286614 /nfs/dbraw/zinc/28/66/14/939286614.db2.gz XCVOLCVDMGMMDI-XCLFUZPHSA-N 0 3 401.438 4.119 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000540522139 939286823 /nfs/dbraw/zinc/28/68/23/939286823.db2.gz XCVOLCVDMGMMDI-ZUOKHONESA-N 0 3 401.438 4.119 20 5 HIBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)nc2c1 ZINC000540863377 939401281 /nfs/dbraw/zinc/40/12/81/939401281.db2.gz OYCJAWLEQVPMAH-HNNXBMFYSA-N 0 3 410.478 4.281 20 5 HIBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)nc2c1 ZINC000540863377 939401287 /nfs/dbraw/zinc/40/12/87/939401287.db2.gz OYCJAWLEQVPMAH-HNNXBMFYSA-N 0 3 410.478 4.281 20 5 HIBDHN CCc1ccc([C@@H](NCC(C)(C)N2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545561 939550340 /nfs/dbraw/zinc/55/03/40/939550340.db2.gz JSHOHVHWAVOKOU-QFIPXVFZSA-N 0 3 415.534 4.319 20 5 HIBDHN O=[N+]([O-])c1ccc(CNC[C@H](c2cccc(Cl)c2)N2CCOCC2)c(Cl)c1 ZINC000542471758 939828733 /nfs/dbraw/zinc/82/87/33/939828733.db2.gz NARNBDLDGVPGFY-LJQANCHMSA-N 0 3 410.301 4.065 20 5 HIBDHN CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000542639944 939851072 /nfs/dbraw/zinc/85/10/72/939851072.db2.gz MISMRFPHUNINRA-MRXNPFEDSA-N 0 3 414.481 4.007 20 5 HIBDHN CCc1ccc([C@H](NC2CCN(Cc3ccncc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543411698 940057571 /nfs/dbraw/zinc/05/75/71/940057571.db2.gz ZZRZMPIIKKGKCQ-XMMPIXPASA-N 0 3 420.513 4.489 20 5 HIBDHN C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543522322 940095494 /nfs/dbraw/zinc/09/54/94/940095494.db2.gz GLPMMYIRGXPTHV-SFHVURJKSA-N 0 3 413.493 4.005 20 5 HIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](CCO)c1ccccc1Br ZINC000543778083 940184533 /nfs/dbraw/zinc/18/45/33/940184533.db2.gz TWLBLPVLWDAUOK-RDTXWAMCSA-N 0 3 407.308 4.392 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543904323 940234946 /nfs/dbraw/zinc/23/49/46/940234946.db2.gz MKBSUFKOSNWABR-OAHLLOKOSA-N 0 3 420.916 4.380 20 5 HIBDHN COc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000544411496 940416253 /nfs/dbraw/zinc/41/62/53/940416253.db2.gz IKAKNTYQJZTPEY-SFHVURJKSA-N 0 3 411.483 4.177 20 5 HIBDHN COc1cc(CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000544515650 940467624 /nfs/dbraw/zinc/46/76/24/940467624.db2.gz MQPPHOHXUMIXOA-AVCJSFLBSA-N 0 3 408.401 4.248 20 5 HIBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000544564445 940480538 /nfs/dbraw/zinc/48/05/38/940480538.db2.gz GIXFKHLHPTWNET-IAGOWNOFSA-N 0 3 406.523 4.419 20 5 HIBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000544590391 940485599 /nfs/dbraw/zinc/48/55/99/940485599.db2.gz LQPQRYIDVUDUBI-QGZVFWFLSA-N 0 3 400.498 4.035 20 5 HIBDHN COc1cc(CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000544626250 940493651 /nfs/dbraw/zinc/49/36/51/940493651.db2.gz OEWGPVLEWLFTKT-IEBWSBKVSA-N 0 3 404.438 4.103 20 5 HIBDHN Cn1ccnc1[C@H](NCCN1CCC2(CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552063607 941577190 /nfs/dbraw/zinc/57/71/90/941577190.db2.gz FFLXCYMZNWQOHO-OAQYLSRUSA-N 0 3 411.550 4.054 20 5 HIBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000556615398 942917182 /nfs/dbraw/zinc/91/71/82/942917182.db2.gz WOTMBYNSFSUPKW-UKRRQHHQSA-N 0 3 407.392 4.006 20 5 HIBDHN CCCN(CCN1CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000557631423 943240618 /nfs/dbraw/zinc/24/06/18/943240618.db2.gz YTKHZDUFKZZJSX-UHFFFAOYSA-N 0 3 402.520 4.056 20 5 HIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000560541484 944247745 /nfs/dbraw/zinc/24/77/45/944247745.db2.gz OIMZZIJKKFCMRG-HKBKIPCKSA-N 0 3 411.502 4.171 20 5 HIBDHN Cn1ccnc1[C@@H](Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560551272 944250788 /nfs/dbraw/zinc/25/07/88/944250788.db2.gz YIANNLMNJHNPLI-NRFANRHFSA-N 0 3 423.542 4.079 20 5 HIBDHN CC(C)N1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569870994 947027752 /nfs/dbraw/zinc/02/77/52/947027752.db2.gz PCELMUSZTATOBP-NQIIRXRSSA-N 0 3 415.444 4.063 20 5 HIBDHN CSc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000572796090 948012746 /nfs/dbraw/zinc/01/27/46/948012746.db2.gz ZZHOBFMYWACVAL-IBGZPJMESA-N 0 3 419.522 4.153 20 5 HIBDHN CSc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000572796091 948012957 /nfs/dbraw/zinc/01/29/57/948012957.db2.gz ZZHOBFMYWACVAL-LJQANCHMSA-N 0 3 419.522 4.153 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]([C@H](O)C(F)(F)F)C3)s2)cc1 ZINC000573288549 948146780 /nfs/dbraw/zinc/14/67/80/948146780.db2.gz UOHHFPXSMNWBKX-DYVFJYSZSA-N 0 3 400.422 4.459 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2cccc(F)c2F)CC1 ZINC000574951245 948563247 /nfs/dbraw/zinc/56/32/47/948563247.db2.gz HKAAZEGMJKAXBY-UHFFFAOYSA-N 0 3 417.412 4.051 20 5 HIBDHN C[C@@H]1CN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC001164635840 719255406 /nfs/dbraw/zinc/25/54/06/719255406.db2.gz QRZQFPUQEZCMLE-IAGOWNOFSA-N 0 3 406.486 4.251 20 5 HIBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436157895 861457774 /nfs/dbraw/zinc/45/77/74/861457774.db2.gz XLBZGCQYAWXGKX-HNNXBMFYSA-N 0 3 409.505 4.061 20 5 HIBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436295546 861599982 /nfs/dbraw/zinc/59/99/82/861599982.db2.gz RLPJXLOJSVTCJL-MRXNPFEDSA-N 0 3 409.505 4.205 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022994973 846646677 /nfs/dbraw/zinc/64/66/77/846646677.db2.gz XKRWQQCPWVVPNE-UHFFFAOYSA-N 0 3 423.435 4.330 20 5 HIBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342255 848411222 /nfs/dbraw/zinc/41/12/22/848411222.db2.gz GNIJKXSKHITMDG-UHFFFAOYSA-N 0 3 402.882 4.296 20 5 HIBDHN CC1CCN([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000049790424 849329936 /nfs/dbraw/zinc/32/99/36/849329936.db2.gz JWWMAGLPKXACBS-LJQANCHMSA-N 0 3 416.547 4.271 20 5 HIBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064906409 852018361 /nfs/dbraw/zinc/01/83/61/852018361.db2.gz RMOFJOKXCPVSMV-UHFFFAOYSA-N 0 3 422.510 4.113 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)N(C)C)cc1 ZINC000065126633 852073663 /nfs/dbraw/zinc/07/36/63/852073663.db2.gz MYBCIXKTNAMHFC-IBGZPJMESA-N 0 3 410.499 4.059 20 5 HIBDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000217108876 853860388 /nfs/dbraw/zinc/86/03/88/853860388.db2.gz OUDVVSHMUOEAIC-CWTRNNRKSA-N 0 3 403.866 4.325 20 5 HIBDHN COc1cc(CNCCc2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237192393 853978701 /nfs/dbraw/zinc/97/87/01/853978701.db2.gz QKVGNTWUWGXISC-UHFFFAOYSA-N 0 3 420.334 4.155 20 5 HIBDHN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc2C1 ZINC000237598076 854060714 /nfs/dbraw/zinc/06/07/14/854060714.db2.gz SHSDKORPJOTAEY-MRXNPFEDSA-N 0 3 408.527 4.255 20 5 HIBDHN Cc1nc2n(n1)C[C@H](NCc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2 ZINC000237707671 854079670 /nfs/dbraw/zinc/07/96/70/854079670.db2.gz FKZWFCRPMMNQPP-OAHLLOKOSA-N 0 3 413.865 4.045 20 5 HIBDHN O=C(NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237880679 854113882 /nfs/dbraw/zinc/11/38/82/854113882.db2.gz KTIRKVQWXAEKRP-UHFFFAOYSA-N 0 3 409.417 4.046 20 5 HIBDHN O=C(NCc1ccncc1)Nc1cccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000238043927 854136528 /nfs/dbraw/zinc/13/65/28/854136528.db2.gz SIFZOJGAONRKMJ-QPJJXVBHSA-N 0 3 417.469 4.115 20 5 HIBDHN CC(C)(CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc2C1 ZINC000425989592 856033658 /nfs/dbraw/zinc/03/36/58/856033658.db2.gz TWNQSDNLKCDSPZ-UHFFFAOYSA-N 0 3 422.529 4.106 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249672 856201068 /nfs/dbraw/zinc/20/10/68/856201068.db2.gz GBKZIQUEHVCDOL-JOCHJYFZSA-N 0 3 408.502 4.106 20 5 HIBDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000434317331 860278116 /nfs/dbraw/zinc/27/81/16/860278116.db2.gz PSRRUEVVZFCCQF-IBGZPJMESA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000439110953 864547500 /nfs/dbraw/zinc/54/75/00/864547500.db2.gz UHGABFAVCPWDAA-UHFFFAOYSA-N 0 3 401.894 4.293 20 5 HIBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000439136009 864568141 /nfs/dbraw/zinc/56/81/41/864568141.db2.gz WVQTZTLZYZIQBI-UHFFFAOYSA-N 0 3 423.435 4.055 20 5 HIBDHN CCN1CCN(c2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000439141611 864573962 /nfs/dbraw/zinc/57/39/62/864573962.db2.gz SWOKDIWCSPSLNO-UHFFFAOYSA-N 0 3 416.909 4.259 20 5 HIBDHN CSc1cccc(N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C2CCN(C)CC2)c1 ZINC000440057077 865331268 /nfs/dbraw/zinc/33/12/68/865331268.db2.gz YZFHYQCHOWDZEH-UHFFFAOYSA-N 0 3 413.543 4.295 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000443414878 867999983 /nfs/dbraw/zinc/99/99/83/867999983.db2.gz PPVJJPYRXWCFCS-QGZVFWFLSA-N 0 3 424.419 4.060 20 5 HIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444112952 868625295 /nfs/dbraw/zinc/62/52/95/868625295.db2.gz QVHSKWAVPLABLC-UHFFFAOYSA-N 0 3 403.457 4.443 20 5 HIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000462621720 875733275 /nfs/dbraw/zinc/73/32/75/875733275.db2.gz RZDKCRBPAVSZKU-UGKGYDQZSA-N 0 3 409.530 4.287 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000466361742 880120297 /nfs/dbraw/zinc/12/02/97/880120297.db2.gz DJUBGIOVPCDXKO-WJDWOHSUSA-N 0 3 401.894 4.278 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000470173603 884454055 /nfs/dbraw/zinc/45/40/55/884454055.db2.gz DJLFXBVVUHCXMT-DTQAZKPQSA-N 0 3 412.465 4.423 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000470173604 884454324 /nfs/dbraw/zinc/45/43/24/884454324.db2.gz DJLFXBVVUHCXMT-SSZFMOIBSA-N 0 3 412.465 4.423 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000470181361 884469605 /nfs/dbraw/zinc/46/96/05/884469605.db2.gz BQUYYRJPAYCSPQ-DTQAZKPQSA-N 0 3 405.458 4.323 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000474352505 889230202 /nfs/dbraw/zinc/23/02/02/889230202.db2.gz OTSNSCIUSYPPHS-FQEVSTJZSA-N 0 3 404.850 4.041 20 5 HIBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474358308 889236768 /nfs/dbraw/zinc/23/67/68/889236768.db2.gz YQVKKHLKWKMROA-OAQYLSRUSA-N 0 3 418.877 4.431 20 5 HIBDHN Cc1c(CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000477723951 892827123 /nfs/dbraw/zinc/82/71/23/892827123.db2.gz KMYAQNYGMGJGQH-GFCCVEGCSA-N 0 3 406.280 4.173 20 5 HIBDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481007042 896338878 /nfs/dbraw/zinc/33/88/78/896338878.db2.gz YETWMWQKNRFSII-IIBYNOLFSA-N 0 3 414.506 4.045 20 5 HIBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000482048116 897470742 /nfs/dbraw/zinc/47/07/42/897470742.db2.gz NLUSPRCRGRRIDQ-CYBMUJFWSA-N 0 3 406.280 4.345 20 5 HIBDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482496668 898077049 /nfs/dbraw/zinc/07/70/49/898077049.db2.gz RWYKYFOTBCFLJZ-GOEBONIOSA-N 0 3 422.865 4.051 20 5 HIBDHN CC(C)(CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc2C1 ZINC000485280833 900559203 /nfs/dbraw/zinc/55/92/03/900559203.db2.gz COPIOXWYLOZRGG-UHFFFAOYSA-N 0 3 422.529 4.106 20 5 HIBDHN Cc1ccc(CNC(=O)C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1F ZINC000485718261 900967343 /nfs/dbraw/zinc/96/73/43/900967343.db2.gz RXPUUYMXPZMIQU-QGZVFWFLSA-N 0 3 413.493 4.440 20 5 HIBDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490072267 903759112 /nfs/dbraw/zinc/75/91/12/903759112.db2.gz ARJVVVKLMWRDLP-LJQANCHMSA-N 0 3 405.882 4.205 20 5 HIBDHN COc1ccc([C@H]2CCN(Cc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000491150033 904458683 /nfs/dbraw/zinc/45/86/83/904458683.db2.gz UMNFXPJDZUXVBF-HNNXBMFYSA-N 0 3 422.428 4.245 20 5 HIBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[C@H]2C1 ZINC000493560478 905163792 /nfs/dbraw/zinc/16/37/92/905163792.db2.gz XCTFUEFPRNWACT-KUHUBIRLSA-N 0 3 415.877 4.207 20 5 HIBDHN CCOc1ccc(C(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952372 907421739 /nfs/dbraw/zinc/42/17/39/907421739.db2.gz OLCQVCKCLUPNPN-FXAWDEMLSA-N 0 3 411.502 4.291 20 5 HIBDHN C[S@@](=O)Cc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000513101939 921550218 /nfs/dbraw/zinc/55/02/18/921550218.db2.gz VIRPKSUGDRRJID-HHHXNRCGSA-N 0 3 400.525 4.492 20 5 HIBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000501238691 910396469 /nfs/dbraw/zinc/39/64/69/910396469.db2.gz JHCXNEWDQUSGMM-UHFFFAOYSA-N 0 3 416.547 4.302 20 5 HIBDHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)C1 ZINC000509521192 918170298 /nfs/dbraw/zinc/17/02/98/918170298.db2.gz QZTPQYPDZSSSCC-QGZVFWFLSA-N 0 3 411.502 4.325 20 5 HIBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510835304 919316317 /nfs/dbraw/zinc/31/63/17/919316317.db2.gz DTRUHLCNAHEMPK-QGZVFWFLSA-N 0 3 420.416 4.155 20 5 HIBDHN NC(=O)c1ccc(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000511103628 919709964 /nfs/dbraw/zinc/70/99/64/919709964.db2.gz CXGAEHNNKWURCF-OAHLLOKOSA-N 0 3 407.392 4.092 20 5 HIBDHN COc1cc(CN2CCC(n3ccnc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512354892 921099724 /nfs/dbraw/zinc/09/97/24/921099724.db2.gz MNNCYJOCTLOEAE-UHFFFAOYSA-N 0 3 422.485 4.216 20 5 HIBDHN Cc1csc(Sc2ccc(C(=O)N(CCN(C)C)CC(C)C)cc2[N+](=O)[O-])n1 ZINC000517084955 923988631 /nfs/dbraw/zinc/98/86/31/923988631.db2.gz TWIJLDSYPSFXOO-UHFFFAOYSA-N 0 3 422.576 4.171 20 5 HIBDHN COc1cc(CN[C@@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000517551145 924261331 /nfs/dbraw/zinc/26/13/31/924261331.db2.gz AGLRLCXPPLMKGX-LPHOPBHVSA-N 0 3 400.475 4.230 20 5 HIBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524946890 929908791 /nfs/dbraw/zinc/90/87/91/929908791.db2.gz HKGOOBPWEIXNEN-KOSHJBKYSA-N 0 3 421.497 4.234 20 5 HIBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000525292826 930136696 /nfs/dbraw/zinc/13/66/96/930136696.db2.gz IGIJBQIAWHQUHP-AWEZNQCLSA-N 0 3 419.934 4.471 20 5 HIBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000532688882 931585331 /nfs/dbraw/zinc/58/53/31/931585331.db2.gz FKUXUKYCGYVPCB-MRXNPFEDSA-N 0 3 412.421 4.042 20 5 HIBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000533513692 931890785 /nfs/dbraw/zinc/89/07/85/931890785.db2.gz OQQJCZHVGFVURT-RNODOKPDSA-N 0 3 401.438 4.201 20 5 HIBDHN Cc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000538001504 938458075 /nfs/dbraw/zinc/45/80/75/938458075.db2.gz ALULUFBQZIALEC-MRXNPFEDSA-N 0 3 422.485 4.316 20 5 HIBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C)cc1 ZINC000538156121 938526606 /nfs/dbraw/zinc/52/66/06/938526606.db2.gz UKNJGKMTIFHJLS-INIZCTEOSA-N 0 3 406.280 4.345 20 5 HIBDHN CC[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091572 938801431 /nfs/dbraw/zinc/80/14/31/938801431.db2.gz WWXXSVNFGOMWET-JKSBSHDWSA-N 0 3 411.502 4.085 20 5 HIBDHN COc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000539314307 938839616 /nfs/dbraw/zinc/83/96/16/938839616.db2.gz KBQSCJSDSJVEAD-NRFANRHFSA-N 0 3 401.438 4.202 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(OC[C@@H]4CCCCO4)CC3)o2)c1 ZINC000539825944 938947067 /nfs/dbraw/zinc/94/70/67/938947067.db2.gz YWQYJKDDFRNAEW-NRFANRHFSA-N 0 3 400.475 4.405 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCNc3ccccn3)o2)c(Br)c1 ZINC000540809271 939379720 /nfs/dbraw/zinc/37/97/20/939379720.db2.gz ZBQZTTGPVYYKIX-UHFFFAOYSA-N 0 3 417.263 4.214 20 5 HIBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CN1C1CC1 ZINC000541724941 939614557 /nfs/dbraw/zinc/61/45/57/939614557.db2.gz NPPQTVGDOMZHTI-GDBMZVCRSA-N 0 3 403.548 4.232 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000541952842 939660908 /nfs/dbraw/zinc/66/09/08/939660908.db2.gz VXYCHSJEWCCWKA-KRWDZBQOSA-N 0 3 421.375 4.134 20 5 HIBDHN C[C@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542531295 939838601 /nfs/dbraw/zinc/83/86/01/939838601.db2.gz IPVINXCEYFMVPL-HNNXBMFYSA-N 0 3 417.506 4.067 20 5 HIBDHN CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000542639943 939851077 /nfs/dbraw/zinc/85/10/77/939851077.db2.gz MISMRFPHUNINRA-INIZCTEOSA-N 0 3 414.481 4.007 20 5 HIBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000542918025 939877446 /nfs/dbraw/zinc/87/74/46/939877446.db2.gz VBPVRRQOIXUOPO-FUHWJXTLSA-N 0 3 406.523 4.277 20 5 HIBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544443306 940433410 /nfs/dbraw/zinc/43/34/10/940433410.db2.gz GEHZZKMAIQFPGU-CQSZACIVSA-N 0 3 407.873 4.081 20 5 HIBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000544560643 940479217 /nfs/dbraw/zinc/47/92/17/940479217.db2.gz IHJWVTCTPREOIB-SFHVURJKSA-N 0 3 403.548 4.186 20 5 HIBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN(C2CCC2)C1 ZINC000553867399 941987483 /nfs/dbraw/zinc/98/74/83/941987483.db2.gz PCRPYZBVWRQBSN-QGZVFWFLSA-N 0 3 409.486 4.334 20 5 HIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(Br)cc1F ZINC000558184175 943417639 /nfs/dbraw/zinc/41/76/39/943417639.db2.gz QFJBENFCKRGIPC-GFCCVEGCSA-N 0 3 424.270 4.484 20 5 HIBDHN COc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c(OCc2cccnc2)c1 ZINC000559072545 943825924 /nfs/dbraw/zinc/82/59/24/943825924.db2.gz LFYKJEJEQSGGJX-UHFFFAOYSA-N 0 3 407.470 4.252 20 5 HIBDHN COc1ccc(CNC[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)cc1[N+](=O)[O-] ZINC000559606322 944015553 /nfs/dbraw/zinc/01/55/53/944015553.db2.gz PUYFBDDAIBUWDO-INIZCTEOSA-N 0 3 422.909 4.218 20 5 HIBDHN O=C1[C@H](N[C@@H](Cc2ccccc2)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565384083 945821135 /nfs/dbraw/zinc/82/11/35/945821135.db2.gz GEBBIIKAKCBDRF-UXHICEINSA-N 0 3 407.495 4.335 20 5 HIBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000436305235 861610164 /nfs/dbraw/zinc/61/01/64/861610164.db2.gz FUPMWFGOBXWTKL-GFCCVEGCSA-N 0 3 400.426 4.394 20 5 HIBDHN CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000015549886 846061882 /nfs/dbraw/zinc/06/18/82/846061882.db2.gz BGHWOTAJKSIRBN-SFHVURJKSA-N 0 3 406.280 4.283 20 5 HIBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000015550330 846062291 /nfs/dbraw/zinc/06/22/91/846062291.db2.gz TTZVBEILCZDBML-GOSISDBHSA-N 0 3 424.270 4.422 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025861549 847046868 /nfs/dbraw/zinc/04/68/68/847046868.db2.gz GQLXAPZNARTZJA-HXUWFJFHSA-N 0 3 417.531 4.138 20 5 HIBDHN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000108713481 852875472 /nfs/dbraw/zinc/87/54/72/852875472.db2.gz FIPPTCHZBHNILK-UHFFFAOYSA-N 0 3 409.408 4.335 20 5 HIBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000117271257 853350374 /nfs/dbraw/zinc/35/03/74/853350374.db2.gz DUCJKHSFUBXXQK-FQEVSTJZSA-N 0 3 415.921 4.451 20 5 HIBDHN C[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000139904697 853426092 /nfs/dbraw/zinc/42/60/92/853426092.db2.gz CEYOAASGUPVGRX-MRXNPFEDSA-N 0 3 414.531 4.069 20 5 HIBDHN COc1ccc(C(=O)Nc2cccc(OCCNCc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000237476201 854041306 /nfs/dbraw/zinc/04/13/06/854041306.db2.gz APNZTSLERVOPSX-UHFFFAOYSA-N 0 3 421.453 4.024 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3nnc4n3CCCCC4)o2)c(Cl)c1 ZINC000237818104 854103337 /nfs/dbraw/zinc/10/33/37/854103337.db2.gz NPSSPLKGCYVKOV-UHFFFAOYSA-N 0 3 415.881 4.158 20 5 HIBDHN Cc1nc2n(n1)C[C@@H](NCc1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2 ZINC000237968206 854127713 /nfs/dbraw/zinc/12/77/13/854127713.db2.gz BEEWKHVQOJWKDZ-KRWDZBQOSA-N 0 3 409.515 4.059 20 5 HIBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(OCc4ccc(F)cc4)c3)CC2)n1 ZINC000425978746 856028940 /nfs/dbraw/zinc/02/89/40/856028940.db2.gz IQHPSJVHDQOEQW-UHFFFAOYSA-N 0 3 410.449 4.347 20 5 HIBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000427364384 856796433 /nfs/dbraw/zinc/79/64/33/856796433.db2.gz ARZCEOVISMYTJN-UHFFFAOYSA-N 0 3 423.435 4.137 20 5 HIBDHN C[C@H]1CN(c2cccc(F)c2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000429227081 857564701 /nfs/dbraw/zinc/56/47/01/857564701.db2.gz CRVJWRIFFZSMFA-INIZCTEOSA-N 0 3 410.449 4.142 20 5 HIBDHN COc1ccccc1-c1noc(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000433168009 859550596 /nfs/dbraw/zinc/55/05/96/859550596.db2.gz LEIRLQUMVQFQBH-UHFFFAOYSA-N 0 3 408.458 4.076 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434905033 860548939 /nfs/dbraw/zinc/54/89/39/860548939.db2.gz PIZDAFIZAWQPOP-UHFFFAOYSA-N 0 3 415.877 4.375 20 5 HIBDHN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435293569 860723488 /nfs/dbraw/zinc/72/34/88/860723488.db2.gz AFVUDUTXHIIQRE-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN COc1ccc(OCCN2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000441168894 866251358 /nfs/dbraw/zinc/25/13/58/866251358.db2.gz OCRWNMMGWXYIQJ-UHFFFAOYSA-N 0 3 413.499 4.472 20 5 HIBDHN O=[N+]([O-])c1ccc(-c2noc([C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)n2)s1 ZINC000445480453 869552808 /nfs/dbraw/zinc/55/28/08/869552808.db2.gz ZBAQBLGCYWGZMP-QGZVFWFLSA-N 0 3 424.404 4.412 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561626 871453147 /nfs/dbraw/zinc/45/31/47/871453147.db2.gz IUKXVHKCGICLOL-LPHOPBHVSA-N 0 3 410.392 4.021 20 5 HIBDHN CCOc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC(F)F ZINC000447579658 871482364 /nfs/dbraw/zinc/48/23/64/871482364.db2.gz LDJUVPZCAKRDIA-GJZGRUSLSA-N 0 3 410.421 4.065 20 5 HIBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551166 875676016 /nfs/dbraw/zinc/67/60/16/875676016.db2.gz MKLDRZZLRSQUFK-IIBYNOLFSA-N 0 3 408.527 4.328 20 5 HIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000462621716 875733087 /nfs/dbraw/zinc/73/30/87/875733087.db2.gz RZDKCRBPAVSZKU-DENIHFKCSA-N 0 3 409.530 4.287 20 5 HIBDHN COc1cc(CN(CCCOc2ccccc2)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000464571588 877793570 /nfs/dbraw/zinc/79/35/70/877793570.db2.gz DUSHWDSFWREFQJ-UHFFFAOYSA-N 0 3 418.465 4.193 20 5 HIBDHN CCS(=O)(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000466419372 880191248 /nfs/dbraw/zinc/19/12/48/880191248.db2.gz KMGJHISLRXQELH-UHFFFAOYSA-N 0 3 416.524 4.407 20 5 HIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466513080 880287106 /nfs/dbraw/zinc/28/71/06/880287106.db2.gz GYAMZCPYQAXBJD-NQIIRXRSSA-N 0 3 410.518 4.178 20 5 HIBDHN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ccccc1)N(C)C ZINC000503526611 912575619 /nfs/dbraw/zinc/57/56/19/912575619.db2.gz GZAZIYQOQHUKFE-ACJLOTCBSA-N 0 3 424.423 4.104 20 5 HIBDHN CCS[C@H]1CCCC[C@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000469771923 883946702 /nfs/dbraw/zinc/94/67/02/883946702.db2.gz HMOLHAFEPFFNQN-DYVFJYSZSA-N 0 3 404.479 4.401 20 5 HIBDHN CC(C)N1CCN(c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000503766452 912819176 /nfs/dbraw/zinc/81/91/76/912819176.db2.gz WWKPBOBNGVAZBW-UHFFFAOYSA-N 0 3 410.518 4.042 20 5 HIBDHN COc1ccccc1NC(=O)C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470171742 884452652 /nfs/dbraw/zinc/45/26/52/884452652.db2.gz NXEYBNTUKFGSPX-SAPNQHFASA-N 0 3 409.486 4.357 20 5 HIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000470178229 884461025 /nfs/dbraw/zinc/46/10/25/884461025.db2.gz JCJFVKQGINVVBP-VKAVYKQESA-N 0 3 400.523 4.094 20 5 HIBDHN COc1cccc(C=C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000473025213 887850353 /nfs/dbraw/zinc/85/03/53/887850353.db2.gz SQZXOFQITPGXJH-UHFFFAOYSA-N 0 3 409.486 4.420 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1cccc(Cl)c1F ZINC000473446501 888168238 /nfs/dbraw/zinc/16/82/38/888168238.db2.gz CJPWXEDDXCNLBD-UHFFFAOYSA-N 0 3 409.845 4.249 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H](c2ccccc2C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474353991 889233164 /nfs/dbraw/zinc/23/31/64/889233164.db2.gz OBPXKTLDIPMQIK-OAQYLSRUSA-N 0 3 400.475 4.332 20 5 HIBDHN CC(C)c1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1[N+](=O)[O-] ZINC000475085808 889932517 /nfs/dbraw/zinc/93/25/17/889932517.db2.gz FVCUQCDHCPEPDX-IRXDYDNUSA-N 0 3 406.527 4.219 20 5 HIBDHN COc1cccc(N2CC[C@@H](NCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2)c1 ZINC000477221725 892156779 /nfs/dbraw/zinc/15/67/79/892156779.db2.gz RPFFTCMMLAJCJG-MRXNPFEDSA-N 0 3 423.469 4.241 20 5 HIBDHN C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000478616770 893878442 /nfs/dbraw/zinc/87/84/42/893878442.db2.gz BTFLDEPGCJQRSL-CHWSQXEVSA-N 0 3 419.469 4.085 20 5 HIBDHN COc1ccccc1-c1nc(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000484325089 899880911 /nfs/dbraw/zinc/88/09/11/899880911.db2.gz WMVXGHUWSIJXKU-UHFFFAOYSA-N 0 3 408.458 4.076 20 5 HIBDHN Cc1c(NC(=O)CCN2CCC(c3c(F)cccc3F)CC2)cccc1[N+](=O)[O-] ZINC000485855613 901098599 /nfs/dbraw/zinc/09/85/99/901098599.db2.gz CNHOAUYLTXBTFX-UHFFFAOYSA-N 0 3 403.429 4.390 20 5 HIBDHN COc1ccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl ZINC000490788251 904233830 /nfs/dbraw/zinc/23/38/30/904233830.db2.gz BHQHLLDYCJAROS-UHFFFAOYSA-N 0 3 403.866 4.250 20 5 HIBDHN C[C@@H](OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000490830267 904273423 /nfs/dbraw/zinc/27/34/23/904273423.db2.gz WNSNEIVCVFASNW-VFNWGFHPSA-N 0 3 404.894 4.351 20 5 HIBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccnc(Oc2ccccc2F)c1 ZINC000494495220 905781885 /nfs/dbraw/zinc/78/18/85/905781885.db2.gz MPNDEFUNTRGOJG-OAHLLOKOSA-N 0 3 424.432 4.428 20 5 HIBDHN CCOc1ccc(C(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952382 907421455 /nfs/dbraw/zinc/42/14/55/907421455.db2.gz OLCQVCKCLUPNPN-YLJYHZDGSA-N 0 3 411.502 4.291 20 5 HIBDHN CCOc1ccc(C(=O)N(CC)[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000497952375 907421584 /nfs/dbraw/zinc/42/15/84/907421584.db2.gz OLCQVCKCLUPNPN-PXNSSMCTSA-N 0 3 411.502 4.291 20 5 HIBDHN C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000512903898 921396598 /nfs/dbraw/zinc/39/65/98/921396598.db2.gz JDXXRWZBKYRNOF-CYBMUJFWSA-N 0 3 424.906 4.096 20 5 HIBDHN C[S@@](=O)Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000513090503 921541381 /nfs/dbraw/zinc/54/13/81/921541381.db2.gz UZJFLVHFIHSWBH-HHHXNRCGSA-N 0 3 400.525 4.492 20 5 HIBDHN CCN(CC)[C@@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccsc1 ZINC000513171090 921597529 /nfs/dbraw/zinc/59/75/29/921597529.db2.gz MCZMSDGFWFDDBG-IBGZPJMESA-N 0 3 404.536 4.290 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000502531754 911537409 /nfs/dbraw/zinc/53/74/09/911537409.db2.gz VXZHQAHIHCKRQA-OAHLLOKOSA-N 0 3 415.437 4.488 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000502534527 911539779 /nfs/dbraw/zinc/53/97/79/911539779.db2.gz OHRRRFBNDOTXHM-LJQANCHMSA-N 0 3 423.435 4.355 20 5 HIBDHN C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCOC1 ZINC000502620099 911646348 /nfs/dbraw/zinc/64/63/48/911646348.db2.gz GMBHCHBHHMJJOZ-UVFQYZLESA-N 0 3 417.893 4.333 20 5 HIBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506294827 914889978 /nfs/dbraw/zinc/88/99/78/914889978.db2.gz LHRWXYSQLIRCEY-DZGCQCFKSA-N 0 3 420.416 4.153 20 5 HIBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000507121671 915878571 /nfs/dbraw/zinc/87/85/71/915878571.db2.gz PWNLBYXSCDBRBF-UHFFFAOYSA-N 0 3 401.894 4.029 20 5 HIBDHN COCC1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000513442793 921809447 /nfs/dbraw/zinc/80/94/47/921809447.db2.gz JYQALGJXOKIRDZ-UHFFFAOYSA-N 0 3 400.475 4.041 20 5 HIBDHN COc1cc(CNCCc2ccccc2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000508051398 916876831 /nfs/dbraw/zinc/87/68/31/916876831.db2.gz DMCGXKHWQIUXSY-UHFFFAOYSA-N 0 3 408.454 4.220 20 5 HIBDHN CCc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N(C)C)cc1 ZINC000509369146 918034141 /nfs/dbraw/zinc/03/41/41/918034141.db2.gz BTXAKPKPDOUXJV-QFIPXVFZSA-N 0 3 412.534 4.380 20 5 HIBDHN CCN1CCC[C@@H](CN(C)c2cc(C)nc3c2cccc3[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509615150 918263299 /nfs/dbraw/zinc/26/32/99/918263299.db2.gz DGEKWFDZSIZZBR-GAJHUEQPSA-N 0 3 422.533 4.094 20 5 HIBDHN CC(C)(C)c1ccc(Oc2ccc(CNC[C@H]3COCCO3)cc2[N+](=O)[O-])cc1 ZINC000513612527 921942130 /nfs/dbraw/zinc/94/21/30/921942130.db2.gz BXAXNRTVQFAUNE-IBGZPJMESA-N 0 3 400.475 4.190 20 5 HIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@H]3COCCO3)cc2[N+](=O)[O-])c1 ZINC000513642543 921966660 /nfs/dbraw/zinc/96/66/60/921966660.db2.gz IFOZDHXQAGAHIU-SFHVURJKSA-N 0 3 400.475 4.324 20 5 HIBDHN CCN(CC)[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000513761808 922080306 /nfs/dbraw/zinc/08/03/06/922080306.db2.gz OWQDNOGLPHIVJW-VXKWHMMOSA-N 0 3 407.518 4.090 20 5 HIBDHN O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCc3ccccc3C2)c(-c2cccs2)c1 ZINC000516320655 923661996 /nfs/dbraw/zinc/66/19/96/923661996.db2.gz WKHAGRWIVDKQCR-LJQANCHMSA-N 0 3 410.495 4.121 20 5 HIBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000518088936 927014694 /nfs/dbraw/zinc/01/46/94/927014694.db2.gz HPVBWMGPSQAQBN-SFHVURJKSA-N 0 3 405.564 4.433 20 5 HIBDHN CC1CCN([C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000518708185 927447821 /nfs/dbraw/zinc/44/78/21/927447821.db2.gz BBPAUZCVPZJVSM-GOSISDBHSA-N 0 3 417.531 4.015 20 5 HIBDHN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000524945196 929906790 /nfs/dbraw/zinc/90/67/90/929906790.db2.gz ONZDORKERQHSAV-UUOWRZLLSA-N 0 3 421.497 4.234 20 5 HIBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000525795312 930447087 /nfs/dbraw/zinc/44/70/87/930447087.db2.gz XBXDOIMCIRDTHO-NRFANRHFSA-N 0 3 422.481 4.031 20 5 HIBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000533047759 931753152 /nfs/dbraw/zinc/75/31/52/931753152.db2.gz NNULPAFQEYPGGT-MRXNPFEDSA-N 0 3 412.421 4.042 20 5 HIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000533427477 931865889 /nfs/dbraw/zinc/86/58/89/931865889.db2.gz SWHPWJFYPZKCGQ-QVKFZJNVSA-N 0 3 415.515 4.111 20 5 HIBDHN COc1ccc(NC(=O)CCN2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000534537918 932550946 /nfs/dbraw/zinc/55/09/46/932550946.db2.gz PKTUQJQWNPNQIE-UHFFFAOYSA-N 0 3 413.449 4.251 20 5 HIBDHN COc1ccccc1-c1ccc([C@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000535584867 933255815 /nfs/dbraw/zinc/25/58/15/933255815.db2.gz UTDSLBJXCCQLFF-KRWDZBQOSA-N 0 3 407.470 4.125 20 5 HIBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000537967823 938438972 /nfs/dbraw/zinc/43/89/72/938438972.db2.gz BXZKSOTTZWRHBC-MRXNPFEDSA-N 0 3 418.515 4.041 20 5 HIBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000537969289 938439742 /nfs/dbraw/zinc/43/97/42/938439742.db2.gz SIJZTJKYKHWCAQ-LBPRGKRZSA-N 0 3 411.380 4.129 20 5 HIBDHN COCC1(O)CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000538725863 938692742 /nfs/dbraw/zinc/69/27/42/938692742.db2.gz BQUATACZPFQSBS-UHFFFAOYSA-N 0 3 406.866 4.014 20 5 HIBDHN CC[C@H](NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091570 938801310 /nfs/dbraw/zinc/80/13/10/938801310.db2.gz WWXXSVNFGOMWET-HOIFWPIMSA-N 0 3 411.502 4.085 20 5 HIBDHN CC[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539091571 938801384 /nfs/dbraw/zinc/80/13/84/938801384.db2.gz WWXXSVNFGOMWET-HYFFOGBASA-N 0 3 411.502 4.085 20 5 HIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000539338432 938844755 /nfs/dbraw/zinc/84/47/55/938844755.db2.gz QPQMFLBIBRDHFR-UHFFFAOYSA-N 0 3 413.543 4.274 20 5 HIBDHN O=C1C[C@@H]([C@H]2CCCCN2Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000539924222 938978083 /nfs/dbraw/zinc/97/80/83/938978083.db2.gz WLPGDNZDVYYHLT-VQIMIIECSA-N 0 3 413.449 4.017 20 5 HIBDHN Cc1c([C@H](C)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000540148679 939091762 /nfs/dbraw/zinc/09/17/62/939091762.db2.gz ZYKOZMXSJXALIZ-LBPRGKRZSA-N 0 3 416.279 4.302 20 5 HIBDHN Cc1c([C@H](C)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000540148679 939091765 /nfs/dbraw/zinc/09/17/65/939091765.db2.gz ZYKOZMXSJXALIZ-LBPRGKRZSA-N 0 3 416.279 4.302 20 5 HIBDHN Cc1c([C@@H](C)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000540148678 939092259 /nfs/dbraw/zinc/09/22/59/939092259.db2.gz ZYKOZMXSJXALIZ-GFCCVEGCSA-N 0 3 416.279 4.302 20 5 HIBDHN Cc1c([C@@H](C)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000540148678 939092262 /nfs/dbraw/zinc/09/22/62/939092262.db2.gz ZYKOZMXSJXALIZ-GFCCVEGCSA-N 0 3 416.279 4.302 20 5 HIBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540203329 939125461 /nfs/dbraw/zinc/12/54/61/939125461.db2.gz SYGNZIZORLRNID-NRFANRHFSA-N 0 3 416.481 4.224 20 5 HIBDHN COc1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc(Br)c1OC ZINC000540604258 939316998 /nfs/dbraw/zinc/31/69/98/939316998.db2.gz ZOCPJSUNIZMWMT-ALCCZGGFSA-N 0 3 407.264 4.178 20 5 HIBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000541952539 939660818 /nfs/dbraw/zinc/66/08/18/939660818.db2.gz QHEYNBHXDMAZJQ-HZPDHXFCSA-N 0 3 407.474 4.075 20 5 HIBDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000542142412 939728535 /nfs/dbraw/zinc/72/85/35/939728535.db2.gz MOPIVNDARFAEIR-CABCVRRESA-N 0 3 410.474 4.011 20 5 HIBDHN COc1cc(CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000544515654 940467876 /nfs/dbraw/zinc/46/78/76/940467876.db2.gz MQPPHOHXUMIXOA-CRTZDJKQSA-N 0 3 408.401 4.248 20 5 HIBDHN Cc1cc(Cc2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)ccc1[N+](=O)[O-] ZINC000545146218 940550727 /nfs/dbraw/zinc/55/07/27/940550727.db2.gz XTWQNTWLMDSHLW-GOSISDBHSA-N 0 3 410.449 4.396 20 5 HIBDHN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@]12CCCO2 ZINC000545548597 940574305 /nfs/dbraw/zinc/57/43/05/940574305.db2.gz UZSWFYSFFJIJFN-AQNXPRMDSA-N 0 3 406.866 4.324 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N2CCCC2)cc1 ZINC000549886597 941228454 /nfs/dbraw/zinc/22/84/54/941228454.db2.gz UZNRMFXQOQVBGN-IBGZPJMESA-N 0 3 421.419 4.489 20 5 HIBDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000551568878 941503561 /nfs/dbraw/zinc/50/35/61/941503561.db2.gz AFSVBSDASKUYPE-YWZLYKJASA-N 0 3 422.909 4.288 20 5 HIBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000553667963 941940613 /nfs/dbraw/zinc/94/06/13/941940613.db2.gz IWCFWPPIKAOCJJ-IBGZPJMESA-N 0 3 405.882 4.068 20 5 HIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000554374634 942117639 /nfs/dbraw/zinc/11/76/39/942117639.db2.gz VPTSQTIGGZEKIG-HUUCEWRRSA-N 0 3 404.339 4.362 20 5 HIBDHN COc1cccc([C@H]2[C@@H](NCc3ccc(Cl)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000555127454 942394433 /nfs/dbraw/zinc/39/44/33/942394433.db2.gz CZFRFIBPMIJHQM-FPOVZHCZSA-N 0 3 401.894 4.324 20 5 HIBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cnc(SC2CCCC2)nc1 ZINC000555637817 942683543 /nfs/dbraw/zinc/68/35/43/942683543.db2.gz LZEZQPJYGBOSEZ-UHFFFAOYSA-N 0 3 402.520 4.151 20 5 HIBDHN Cc1ccc([C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000556868847 942944782 /nfs/dbraw/zinc/94/47/82/942944782.db2.gz XAVYAVUIIRLIER-GOTSBHOMSA-N 0 3 419.529 4.153 20 5 HIBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558027440 943360688 /nfs/dbraw/zinc/36/06/88/943360688.db2.gz XRKALXYKMQLZAI-SVMVAKDDSA-N 0 3 422.529 4.009 20 5 HIBDHN COc1ccc(CNC[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)cc1[N+](=O)[O-] ZINC000559606323 944015231 /nfs/dbraw/zinc/01/52/31/944015231.db2.gz PUYFBDDAIBUWDO-MRXNPFEDSA-N 0 3 422.909 4.218 20 5 HIBDHN Cn1ccnc1[C@@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560549896 944251254 /nfs/dbraw/zinc/25/12/54/944251254.db2.gz IOJXHSHDOMCYJH-LADGPHEKSA-N 0 3 419.529 4.062 20 5 HIBDHN CSc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000572074329 947839938 /nfs/dbraw/zinc/83/99/38/947839938.db2.gz RFENDUFSODMJIP-AUUYWEPGSA-N 0 3 419.572 4.216 20 5 HIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000573018458 948059690 /nfs/dbraw/zinc/05/96/90/948059690.db2.gz OZDIICSMEWMHHA-GUDVDZBRSA-N 0 3 404.413 4.201 20 5 HIBDHN CC(C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(C)CC1 ZINC000436104843 861390325 /nfs/dbraw/zinc/39/03/25/861390325.db2.gz CQUOMXVGDOHFFA-OAQYLSRUSA-N 0 3 423.532 4.307 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025861545 847047501 /nfs/dbraw/zinc/04/75/01/847047501.db2.gz GQLXAPZNARTZJA-FQEVSTJZSA-N 0 3 417.531 4.138 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(c1ccccc1)c1ccccc1 ZINC000026219234 847104886 /nfs/dbraw/zinc/10/48/86/847104886.db2.gz CAHSYDASYLEEBY-UHFFFAOYSA-N 0 3 405.454 4.311 20 5 HIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019755 849656047 /nfs/dbraw/zinc/65/60/47/849656047.db2.gz AGMLDAVQPVSDRA-ZDUSSCGKSA-N 0 3 403.866 4.366 20 5 HIBDHN COc1ccc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000061003278 851270218 /nfs/dbraw/zinc/27/02/18/851270218.db2.gz KVPQVVHWXCYSOC-UHFFFAOYSA-N 0 3 408.454 4.481 20 5 HIBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032467 852474816 /nfs/dbraw/zinc/47/48/16/852474816.db2.gz IOIXGUQQEGATMY-BEFAXECRSA-N 0 3 400.866 4.396 20 5 HIBDHN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237452668 854035630 /nfs/dbraw/zinc/03/56/30/854035630.db2.gz FKRZTAAEPDUZKO-UHFFFAOYSA-N 0 3 402.497 4.017 20 5 HIBDHN C[C@@H]1CN(c2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cn2)CCO1 ZINC000237595959 854059405 /nfs/dbraw/zinc/05/94/05/854059405.db2.gz CBVNGDHUXMJXCD-MRXNPFEDSA-N 0 3 424.526 4.233 20 5 HIBDHN CN1CCN(CCC(C)(C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000302245393 854556064 /nfs/dbraw/zinc/55/60/64/854556064.db2.gz KLRPIDUYPQYWPF-UHFFFAOYSA-N 0 3 408.852 4.095 20 5 HIBDHN Cc1c(NC(=O)CCN2CCC[C@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000431000876 858399960 /nfs/dbraw/zinc/39/99/60/858399960.db2.gz SFYFDXAUVWOKCM-HNNXBMFYSA-N 0 3 401.488 4.031 20 5 HIBDHN COc1cc([C@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000433151321 859542855 /nfs/dbraw/zinc/54/28/55/859542855.db2.gz YUDVHQDCRXSVAB-LIRRHRJNSA-N 0 3 400.475 4.048 20 5 HIBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435271610 860711705 /nfs/dbraw/zinc/71/17/05/860711705.db2.gz XXXCTKSRCLDGNW-FQEVSTJZSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435293570 860723427 /nfs/dbraw/zinc/72/34/27/860723427.db2.gz AFVUDUTXHIIQRE-HXUWFJFHSA-N 0 3 419.485 4.107 20 5 HIBDHN Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCCC2)cc1 ZINC000438021074 863381915 /nfs/dbraw/zinc/38/19/15/863381915.db2.gz GGLAOQOBURETOL-QHCPKHFHSA-N 0 3 422.529 4.414 20 5 HIBDHN COCCO[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000438547839 863975473 /nfs/dbraw/zinc/97/54/73/863975473.db2.gz UBYSSYQAXMOTMV-GOSISDBHSA-N 0 3 406.866 4.278 20 5 HIBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(Cc4c(F)cccc4Cl)CC3)nc2c1 ZINC000446840444 870758028 /nfs/dbraw/zinc/75/80/28/870758028.db2.gz ZBOZCXPDRNTAIA-UHFFFAOYSA-N 0 3 417.872 4.018 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)CCC2 ZINC000447529186 871393908 /nfs/dbraw/zinc/39/39/08/871393908.db2.gz KUEDAKKYQCIQEX-LPHOPBHVSA-N 0 3 410.392 4.021 20 5 HIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)COc1ccc(C(F)(F)F)cc1)CCC2 ZINC000447561627 871454446 /nfs/dbraw/zinc/45/44/46/871454446.db2.gz IUKXVHKCGICLOL-QFBILLFUSA-N 0 3 410.392 4.021 20 5 HIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)NCc2ccco2)c1 ZINC000468650766 882787536 /nfs/dbraw/zinc/78/75/36/882787536.db2.gz IJKBNPYQMKMCAS-GZTJUZNOSA-N 0 3 405.454 4.311 20 5 HIBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462551154 875675954 /nfs/dbraw/zinc/67/59/54/875675954.db2.gz MKLDRZZLRSQUFK-HRAATJIYSA-N 0 3 408.527 4.328 20 5 HIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCN(c4ccccc4F)C3)cs2)c1 ZINC000462910450 875935747 /nfs/dbraw/zinc/93/57/47/875935747.db2.gz RAXYRPRPTKJHCM-OAHLLOKOSA-N 0 3 412.490 4.474 20 5 HIBDHN CC(C)c1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000473921909 888802581 /nfs/dbraw/zinc/80/25/81/888802581.db2.gz KNFDNYKEAKBNPO-QZTJIDSGSA-N 0 3 417.550 4.070 20 5 HIBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000474003907 888862516 /nfs/dbraw/zinc/86/25/16/888862516.db2.gz ZPSBQFMWNLZGIK-WZONZLPQSA-N 0 3 412.486 4.196 20 5 HIBDHN CS(=O)(=O)C1(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000475425401 890347032 /nfs/dbraw/zinc/34/70/32/890347032.db2.gz SEHCHELWHLOKRB-UHFFFAOYSA-N 0 3 424.906 4.097 20 5 HIBDHN CCOc1ccc([C@@H](C)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000504911115 913644404 /nfs/dbraw/zinc/64/44/04/913644404.db2.gz AOZIVSWWPUMHAW-ZWKOTPCHSA-N 0 3 413.518 4.065 20 5 HIBDHN COc1cc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480125153 895500521 /nfs/dbraw/zinc/50/05/21/895500521.db2.gz NNOSAXJXHWYUFH-CXAGYDPISA-N 0 3 420.428 4.228 20 5 HIBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000482048117 897472976 /nfs/dbraw/zinc/47/29/76/897472976.db2.gz NLUSPRCRGRRIDQ-ZDUSSCGKSA-N 0 3 406.280 4.345 20 5 HIBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482141622 897600533 /nfs/dbraw/zinc/60/05/33/897600533.db2.gz KCJBIMWJBYIEDD-DYESRHJHSA-N 0 3 423.517 4.452 20 5 HIBDHN Cn1cc(CN2CCC[C@@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482408679 897951169 /nfs/dbraw/zinc/95/11/69/897951169.db2.gz VVWNQRLPZFSCOQ-QHCPKHFHSA-N 0 3 404.470 4.017 20 5 HIBDHN CCOc1cc(CN2CCC(C)=C(C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000482433601 897990791 /nfs/dbraw/zinc/99/07/91/897990791.db2.gz DVJRFSPIHABPTQ-UHFFFAOYSA-N 0 3 414.506 4.120 20 5 HIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000484803563 900207677 /nfs/dbraw/zinc/20/76/77/900207677.db2.gz OLTJXIGPZYZGRV-UHFFFAOYSA-N 0 3 423.391 4.347 20 5 HIBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000485143902 900444480 /nfs/dbraw/zinc/44/44/80/900444480.db2.gz GNEAGEOAAUPJFG-HNNXBMFYSA-N 0 3 413.446 4.071 20 5 HIBDHN C[C@H](N[C@H](COc1ccccc1F)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489040718 903145001 /nfs/dbraw/zinc/14/50/01/903145001.db2.gz WIZXNWATSCTONC-IFXJQAMLSA-N 0 3 403.454 4.144 20 5 HIBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000489916891 903672209 /nfs/dbraw/zinc/67/22/09/903672209.db2.gz WESLUFBIUAIWKG-QAPCUYQASA-N 0 3 402.520 4.162 20 5 HIBDHN COc1cc(CNCCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491040179 904391160 /nfs/dbraw/zinc/39/11/60/904391160.db2.gz RZPLYRROAXQNHJ-UHFFFAOYSA-N 0 3 400.809 4.233 20 5 HIBDHN Cc1c(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000491541819 904643799 /nfs/dbraw/zinc/64/37/99/904643799.db2.gz VZUWZKHBLUUSBW-LJQANCHMSA-N 0 3 407.392 4.296 20 5 HIBDHN CN(C)C(=O)c1cccc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493011879 904989536 /nfs/dbraw/zinc/98/95/36/904989536.db2.gz WJKKDCHQXCLLOE-HSZRJFAPSA-N 0 3 403.482 4.218 20 5 HIBDHN C[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000494182113 905516929 /nfs/dbraw/zinc/51/69/29/905516929.db2.gz HOSUYMAAIOJXDM-HXUWFJFHSA-N 0 3 421.419 4.398 20 5 HIBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000498454302 907917978 /nfs/dbraw/zinc/91/79/78/907917978.db2.gz MFJWFSQPBRBTBN-HDICACEKSA-N 0 3 416.566 4.024 20 5 HIBDHN CCN(CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000499684781 908876628 /nfs/dbraw/zinc/87/66/28/908876628.db2.gz OWWCBAGSIRJFTR-QGZVFWFLSA-N 0 3 424.423 4.009 20 5 HIBDHN COc1cc(CNCCc2nc(C)oc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000500246705 909736361 /nfs/dbraw/zinc/73/63/61/909736361.db2.gz WOVXEAMPESLOHD-UHFFFAOYSA-N 0 3 411.458 4.120 20 5 HIBDHN C[C@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000500411205 909842804 /nfs/dbraw/zinc/84/28/04/909842804.db2.gz QWZUXSCUAAGHEY-IBGZPJMESA-N 0 3 424.545 4.035 20 5 HIBDHN COc1cc([N+](=O)[O-])ccc1CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513213347 921628276 /nfs/dbraw/zinc/62/82/76/921628276.db2.gz CNLIXRBOTAUPMT-IBGZPJMESA-N 0 3 410.392 4.114 20 5 HIBDHN O=C(NCc1ccccc1)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506733765 915418668 /nfs/dbraw/zinc/41/86/68/915418668.db2.gz GPGNJCSYALYFPE-UHFFFAOYSA-N 0 3 419.481 4.383 20 5 HIBDHN Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)C3=CCN(C)CC3)cc2[N+](=O)[O-])cc1 ZINC000511343004 919934275 /nfs/dbraw/zinc/93/42/75/919934275.db2.gz IYUPDADHWISYNP-INIZCTEOSA-N 0 3 411.527 4.435 20 5 HIBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc2sccn21 ZINC000511672616 920338751 /nfs/dbraw/zinc/33/87/51/920338751.db2.gz OOQUZDYBLAMWTD-CYBMUJFWSA-N 0 3 411.409 4.009 20 5 HIBDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000512341206 921086987 /nfs/dbraw/zinc/08/69/87/921086987.db2.gz CCNPKVGDTBZQER-UGKGYDQZSA-N 0 3 421.501 4.199 20 5 HIBDHN Cc1nn(C)c(Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)c1[N+](=O)[O-] ZINC000513618309 921947644 /nfs/dbraw/zinc/94/76/44/921947644.db2.gz FSQIHINQKDAGIG-UHFFFAOYSA-N 0 3 420.517 4.011 20 5 HIBDHN COc1cc(CN[C@@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000517551146 924261043 /nfs/dbraw/zinc/26/10/43/924261043.db2.gz AGLRLCXPPLMKGX-QFBILLFUSA-N 0 3 400.475 4.230 20 5 HIBDHN 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