smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2ccc(S(=O)(=O)[N-]CCn3cc([N+](=O)[O-])cn3)s2)cs1 ZINC000152843205 531575396 /nfs/dbraw/zinc/57/53/96/531575396.db2.gz QURLNGGJEUZBQU-UHFFFAOYSA-N -1 3 399.479 2.263 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](c1cccs1)N(C)C ZINC000052782020 531751497 /nfs/dbraw/zinc/75/14/97/531751497.db2.gz XXFHYROYIIMMDV-GFCCVEGCSA-N -1 3 385.467 2.246 20 5 GEBDHM Nc1cccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000158271877 531773360 /nfs/dbraw/zinc/77/33/60/531773360.db2.gz ZVTXCMHQKXWVNZ-UHFFFAOYSA-N -1 3 386.227 2.418 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000121868039 532049605 /nfs/dbraw/zinc/04/96/05/532049605.db2.gz HTGQCLLHAPIMNF-GXSJLCMTSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000121863137 532050720 /nfs/dbraw/zinc/05/07/20/532050720.db2.gz YJLHUXKOZOGODL-JOYOIKCWSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122939350 532086873 /nfs/dbraw/zinc/08/68/73/532086873.db2.gz BYQAMKIKKIHJNS-GHMZBOCLSA-N -1 3 391.515 2.131 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cn(C)nc1C(F)(F)F ZINC000124854965 532130449 /nfs/dbraw/zinc/13/04/49/532130449.db2.gz MMCHRXDRDJBJJB-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM CC(=O)N1CCC(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000176694361 532146097 /nfs/dbraw/zinc/14/60/97/532146097.db2.gz RVQPQAUZXBLBJA-UHFFFAOYSA-N -1 3 389.861 2.093 20 5 GEBDHM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188278906 532347676 /nfs/dbraw/zinc/34/76/76/532347676.db2.gz HBWPIVBEWUPEBH-CQSZACIVSA-N -1 3 384.841 2.439 20 5 GEBDHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000188389801 532347913 /nfs/dbraw/zinc/34/79/13/532347913.db2.gz JUAQKMICDMKVKS-CQSZACIVSA-N -1 3 384.841 2.439 20 5 GEBDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000425202313 532373058 /nfs/dbraw/zinc/37/30/58/532373058.db2.gz KPGUPSCRPSWXCI-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000425204997 532373127 /nfs/dbraw/zinc/37/31/27/532373127.db2.gz NVTZGQYZSKMFDY-SECBINFHSA-N -1 3 385.423 2.019 20 5 GEBDHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000278034783 532371848 /nfs/dbraw/zinc/37/18/48/532371848.db2.gz XEAJGUOBQZFNFV-GZMMTYOYSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000278039604 532371974 /nfs/dbraw/zinc/37/19/74/532371974.db2.gz XJLAKPXTMJZMAM-GZMMTYOYSA-N -1 3 379.232 2.061 20 5 GEBDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467067419 532437652 /nfs/dbraw/zinc/43/76/52/532437652.db2.gz BNADOLVHISPQNI-YGRLFVJLSA-N -1 3 376.456 2.365 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467408490 532446976 /nfs/dbraw/zinc/44/69/76/532446976.db2.gz WYNFGKGBQASMSF-NSHDSACASA-N -1 3 381.435 2.049 20 5 GEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295501936 532453380 /nfs/dbraw/zinc/45/33/80/532453380.db2.gz GQODYKSXVQFNFK-UHFFFAOYSA-N -1 3 375.175 2.360 20 5 GEBDHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000295559520 532459314 /nfs/dbraw/zinc/45/93/14/532459314.db2.gz SZLTVBRXOJAAEW-MRVPVSSYSA-N -1 3 381.248 2.185 20 5 GEBDHM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000373921677 532478631 /nfs/dbraw/zinc/47/86/31/532478631.db2.gz NXPQHQDZFANMGF-NSHDSACASA-N -1 3 382.829 2.182 20 5 GEBDHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593654125 532493200 /nfs/dbraw/zinc/49/32/00/532493200.db2.gz JSNZGNRMAPHSBT-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000594863766 532538546 /nfs/dbraw/zinc/53/85/46/532538546.db2.gz RSHBSHYPTIJVIQ-ZDUSSCGKSA-N -1 3 382.797 2.126 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c1 ZINC000594865268 532538762 /nfs/dbraw/zinc/53/87/62/532538762.db2.gz NPCDEPSOFSJINM-SNVBAGLBSA-N -1 3 393.259 2.044 20 5 GEBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OC ZINC000533465834 532663597 /nfs/dbraw/zinc/66/35/97/532663597.db2.gz IYVJVOJJXIKBTR-LBPRGKRZSA-N -1 3 384.332 2.234 20 5 GEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000599372793 532659339 /nfs/dbraw/zinc/65/93/39/532659339.db2.gz MIVUQIKTWCYRKF-LBPRGKRZSA-N -1 3 378.332 2.014 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1c(C(F)(F)F)cnn1C ZINC000599370706 532659445 /nfs/dbraw/zinc/65/94/45/532659445.db2.gz WCQAUYVFQMPUFT-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000535900830 532689382 /nfs/dbraw/zinc/68/93/82/532689382.db2.gz ORSDYBPPPFZJDC-CYBMUJFWSA-N -1 3 384.841 2.378 20 5 GEBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443332679 532745876 /nfs/dbraw/zinc/74/58/76/532745876.db2.gz IJNXLOXKDUCCKL-KOLCDFICSA-N -1 3 395.275 2.433 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-]Cc2csc([C@@H](C)OC)n2)c([N+](=O)[O-])c1 ZINC000267636222 532748852 /nfs/dbraw/zinc/74/88/52/532748852.db2.gz PLRJRIOSGGTFIR-SECBINFHSA-N -1 3 387.439 2.246 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1csc([C@@H](C)OC)n1 ZINC000267637543 532749096 /nfs/dbraw/zinc/74/90/96/532749096.db2.gz QBFXJLIXDUHIKV-SECBINFHSA-N -1 3 387.439 2.246 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-]Cc2csc([C@H](C)OC)n2)c([N+](=O)[O-])c1 ZINC000267636224 532749244 /nfs/dbraw/zinc/74/92/44/532749244.db2.gz PLRJRIOSGGTFIR-VIFPVBQESA-N -1 3 387.439 2.246 20 5 GEBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000542240720 532767841 /nfs/dbraw/zinc/76/78/41/532767841.db2.gz QTUXQBJSYKGQED-SECBINFHSA-N -1 3 395.275 2.433 20 5 GEBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000451797282 532770451 /nfs/dbraw/zinc/77/04/51/532770451.db2.gz PEONBYVGZSDVDE-LBPRGKRZSA-N -1 3 381.248 2.451 20 5 GEBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000269683188 532785916 /nfs/dbraw/zinc/78/59/16/532785916.db2.gz YSWGGMNOIZOVFO-NSHDSACASA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000549556760 532794773 /nfs/dbraw/zinc/79/47/73/532794773.db2.gz PGKGIWVHBBGNLB-NOZJJQNGSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271198871 532804544 /nfs/dbraw/zinc/80/45/44/532804544.db2.gz BBOUSHOEVPZYAL-RKDXNWHRSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c(Br)c1 ZINC000271963130 532812510 /nfs/dbraw/zinc/81/25/10/532812510.db2.gz MADLKHHHIPFAMI-SECBINFHSA-N -1 3 379.232 2.205 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSC(C)(C)C ZINC000273568354 532826490 /nfs/dbraw/zinc/82/64/90/532826490.db2.gz NZBFAGQQGWSYOY-UHFFFAOYSA-N -1 3 376.456 2.191 20 5 GEBDHM CC(C)(C)NS(=O)(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC000274216182 532844626 /nfs/dbraw/zinc/84/46/26/532844626.db2.gz WFBKRZIIPXBKCY-UHFFFAOYSA-N -1 3 384.439 2.380 20 5 GEBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332591469 532857515 /nfs/dbraw/zinc/85/75/15/532857515.db2.gz KQSACNOCFLUIMK-GHMZBOCLSA-N -1 3 388.467 2.319 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000275030641 532861929 /nfs/dbraw/zinc/86/19/29/532861929.db2.gz ADHGZCIESFOHNT-GHMZBOCLSA-N -1 3 376.406 2.226 20 5 GEBDHM Cc1nnc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000290099072 532872993 /nfs/dbraw/zinc/87/29/93/532872993.db2.gz FGWYITXEIQJNNL-UHFFFAOYSA-N -1 3 376.847 2.238 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000416433358 532877157 /nfs/dbraw/zinc/87/71/57/532877157.db2.gz OQXCMOCTDFZHQR-UHFFFAOYSA-N -1 3 382.360 2.445 20 5 GEBDHM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416444269 532877393 /nfs/dbraw/zinc/87/73/93/532877393.db2.gz XTFFAWFSZHBZRP-XVKPBYJWSA-N -1 3 388.389 2.004 20 5 GEBDHM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000368744609 532934164 /nfs/dbraw/zinc/93/41/64/532934164.db2.gz OSMHSSCRYKCWHC-GFCCVEGCSA-N -1 3 382.829 2.182 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)ccc1Br ZINC000371217213 532947328 /nfs/dbraw/zinc/94/73/28/532947328.db2.gz WMWFYUIXHUIPAB-YPMHNXCESA-N -1 3 391.243 2.203 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897480 598881514 /nfs/dbraw/zinc/88/15/14/598881514.db2.gz QOBQRSBOVYLTFY-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897480 598881516 /nfs/dbraw/zinc/88/15/16/598881516.db2.gz QOBQRSBOVYLTFY-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM COc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737072914 598887016 /nfs/dbraw/zinc/88/70/16/598887016.db2.gz XAXWVRMUROTSSW-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM COc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737072914 598887018 /nfs/dbraw/zinc/88/70/18/598887018.db2.gz XAXWVRMUROTSSW-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897287 598893229 /nfs/dbraw/zinc/89/32/29/598893229.db2.gz DXHPWMIFZWMCCY-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897287 598893231 /nfs/dbraw/zinc/89/32/31/598893231.db2.gz DXHPWMIFZWMCCY-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C(F)F ZINC000736602884 598895505 /nfs/dbraw/zinc/89/55/05/598895505.db2.gz PNRXZSPASSZISQ-UHFFFAOYSA-N -1 3 379.283 2.075 20 5 GEBDHM CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C(F)F ZINC000736602884 598895506 /nfs/dbraw/zinc/89/55/06/598895506.db2.gz PNRXZSPASSZISQ-UHFFFAOYSA-N -1 3 379.283 2.075 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737373262 598999526 /nfs/dbraw/zinc/99/95/26/598999526.db2.gz RNPZGKLXLQODTL-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737373262 598999528 /nfs/dbraw/zinc/99/95/28/598999528.db2.gz RNPZGKLXLQODTL-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000737226330 599001252 /nfs/dbraw/zinc/00/12/52/599001252.db2.gz VUCOKCHKSHVXIQ-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000737226330 599001254 /nfs/dbraw/zinc/00/12/54/599001254.db2.gz VUCOKCHKSHVXIQ-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1c(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cccc1-c1nnn[n-]1 ZINC000822115342 607257283 /nfs/dbraw/zinc/25/72/83/607257283.db2.gz CLFMEKLMUXYBAX-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM Cc1c(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cccc1-c1nn[n-]n1 ZINC000822115342 607257284 /nfs/dbraw/zinc/25/72/84/607257284.db2.gz CLFMEKLMUXYBAX-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM O=C1COc2ccccc2N1CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823542639 599040190 /nfs/dbraw/zinc/04/01/90/599040190.db2.gz XLGLEWHPBJCXOJ-UHFFFAOYSA-N -1 3 395.379 2.003 20 5 GEBDHM O=C1COc2ccccc2N1CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823542639 599040193 /nfs/dbraw/zinc/04/01/93/599040193.db2.gz XLGLEWHPBJCXOJ-UHFFFAOYSA-N -1 3 395.379 2.003 20 5 GEBDHM O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823146671 599071596 /nfs/dbraw/zinc/07/15/96/599071596.db2.gz YBBIIQCARADKOL-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823146671 599071599 /nfs/dbraw/zinc/07/15/99/599071599.db2.gz YBBIIQCARADKOL-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM CCc1ccc(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736692877 599085112 /nfs/dbraw/zinc/08/51/12/599085112.db2.gz ZYAPHGSWOHYZNW-UHFFFAOYSA-N -1 3 389.393 2.246 20 5 GEBDHM CCc1ccc(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000736692877 599085116 /nfs/dbraw/zinc/08/51/16/599085116.db2.gz ZYAPHGSWOHYZNW-UHFFFAOYSA-N -1 3 389.393 2.246 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738087784 599214714 /nfs/dbraw/zinc/21/47/14/599214714.db2.gz BENNTOVHJMZKRY-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM CC(C)(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000735574545 599218582 /nfs/dbraw/zinc/21/85/82/599218582.db2.gz IEERFAVATJEQAV-UHFFFAOYSA-N -1 3 396.407 2.248 20 5 GEBDHM COc1cccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737139658 599231145 /nfs/dbraw/zinc/23/11/45/599231145.db2.gz NBYRQUDTWRRXGQ-GFCCVEGCSA-N -1 3 396.411 2.259 20 5 GEBDHM COc1cccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737139658 599231148 /nfs/dbraw/zinc/23/11/48/599231148.db2.gz NBYRQUDTWRRXGQ-GFCCVEGCSA-N -1 3 396.411 2.259 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000737940003 599231927 /nfs/dbraw/zinc/23/19/27/599231927.db2.gz DUVKPLXAIPZXHQ-UHFFFAOYSA-N -1 3 384.421 2.226 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000737940003 599231930 /nfs/dbraw/zinc/23/19/30/599231930.db2.gz DUVKPLXAIPZXHQ-UHFFFAOYSA-N -1 3 384.421 2.226 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)ccc1Cl ZINC000823635257 607328251 /nfs/dbraw/zinc/32/82/51/607328251.db2.gz UNQDAUONYWPPRI-UHFFFAOYSA-N -1 3 398.763 2.368 20 5 GEBDHM CC(=O)Nc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)C2 ZINC000819827010 607345725 /nfs/dbraw/zinc/34/57/25/607345725.db2.gz OYJRYOUFQMMENJ-UHFFFAOYSA-N -1 3 379.380 2.296 20 5 GEBDHM COc1cccc(N2C[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2=O)c1 ZINC000737140939 598248163 /nfs/dbraw/zinc/24/81/63/598248163.db2.gz UFOSCVDFYYUNRM-LBPRGKRZSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1cccc(N2C[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2=O)c1 ZINC000737140939 598248164 /nfs/dbraw/zinc/24/81/64/598248164.db2.gz UFOSCVDFYYUNRM-LBPRGKRZSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737083605 598279144 /nfs/dbraw/zinc/27/91/44/598279144.db2.gz SEOOPUPRXPONIT-UHFFFAOYSA-N -1 3 386.343 2.128 20 5 GEBDHM COc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737083605 598279146 /nfs/dbraw/zinc/27/91/46/598279146.db2.gz SEOOPUPRXPONIT-UHFFFAOYSA-N -1 3 386.343 2.128 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736828869 598326741 /nfs/dbraw/zinc/32/67/41/598326741.db2.gz RICSGOZYSUMNEJ-UHFFFAOYSA-N -1 3 385.359 2.256 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736828869 598326743 /nfs/dbraw/zinc/32/67/43/598326743.db2.gz RICSGOZYSUMNEJ-UHFFFAOYSA-N -1 3 385.359 2.256 20 5 GEBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)s1 ZINC000736679516 598327486 /nfs/dbraw/zinc/32/74/86/598327486.db2.gz WJOPEHPLCWGEAB-UHFFFAOYSA-N -1 3 390.429 2.241 20 5 GEBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)s1 ZINC000736679516 598327488 /nfs/dbraw/zinc/32/74/88/598327488.db2.gz WJOPEHPLCWGEAB-UHFFFAOYSA-N -1 3 390.429 2.241 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c4ncccc34)CC2)c(-c2nnn[n-]2)c1 ZINC000738368590 598499217 /nfs/dbraw/zinc/49/92/17/598499217.db2.gz FIENACURVPMKOI-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c4ncccc34)CC2)c(-c2nn[n-]n2)c1 ZINC000738368590 598499219 /nfs/dbraw/zinc/49/92/19/598499219.db2.gz FIENACURVPMKOI-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000738360847 598502777 /nfs/dbraw/zinc/50/27/77/598502777.db2.gz ZWDULRNQXGPDFL-UHFFFAOYSA-N -1 3 392.379 2.243 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000738360847 598502779 /nfs/dbraw/zinc/50/27/79/598502779.db2.gz ZWDULRNQXGPDFL-UHFFFAOYSA-N -1 3 392.379 2.243 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370142 598504434 /nfs/dbraw/zinc/50/44/34/598504434.db2.gz QHTXRMCMRTXHLL-INIZCTEOSA-N -1 3 399.386 2.259 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370142 598504435 /nfs/dbraw/zinc/50/44/35/598504435.db2.gz QHTXRMCMRTXHLL-INIZCTEOSA-N -1 3 399.386 2.259 20 5 GEBDHM COc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737151107 598551471 /nfs/dbraw/zinc/55/14/71/598551471.db2.gz XSIXBFZTMLWQBQ-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737151107 598551473 /nfs/dbraw/zinc/55/14/73/598551473.db2.gz XSIXBFZTMLWQBQ-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1ccccc1Cl ZINC000738358850 598555247 /nfs/dbraw/zinc/55/52/47/598555247.db2.gz PVFZATOHKSXTIH-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1ccccc1Cl ZINC000738358850 598555249 /nfs/dbraw/zinc/55/52/49/598555249.db2.gz PVFZATOHKSXTIH-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM CCNc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825480995 607358632 /nfs/dbraw/zinc/35/86/32/607358632.db2.gz PZXSLOYFHONTRN-UHFFFAOYSA-N -1 3 396.363 2.246 20 5 GEBDHM CCNc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825480995 607358634 /nfs/dbraw/zinc/35/86/34/607358634.db2.gz PZXSLOYFHONTRN-UHFFFAOYSA-N -1 3 396.363 2.246 20 5 GEBDHM O=C1[C@@H](Sc2cc(-c3nnn[n-]3)ccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295599 598582636 /nfs/dbraw/zinc/58/26/36/598582636.db2.gz ISMNYTMXOWURPH-ZDUSSCGKSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C1[C@@H](Sc2cc(-c3nn[n-]n3)ccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295599 598582638 /nfs/dbraw/zinc/58/26/38/598582638.db2.gz ISMNYTMXOWURPH-ZDUSSCGKSA-N -1 3 383.393 2.068 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737483875 598646187 /nfs/dbraw/zinc/64/61/87/598646187.db2.gz PRWZZUNWNVIGTL-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000737483875 598646188 /nfs/dbraw/zinc/64/61/88/598646188.db2.gz PRWZZUNWNVIGTL-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000738369304 598680088 /nfs/dbraw/zinc/68/00/88/598680088.db2.gz KQGNBOKEMQSKEQ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738369304 598680090 /nfs/dbraw/zinc/68/00/90/598680090.db2.gz KQGNBOKEMQSKEQ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736778147 598706276 /nfs/dbraw/zinc/70/62/76/598706276.db2.gz BIRRWWGKNOUVBO-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736778147 598706277 /nfs/dbraw/zinc/70/62/77/598706277.db2.gz BIRRWWGKNOUVBO-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM COC(=O)c1cc(OCCOc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736952192 598751942 /nfs/dbraw/zinc/75/19/42/598751942.db2.gz YAUHRQKHSYHVFI-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COC(=O)c1cc(OCCOc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000736952192 598751945 /nfs/dbraw/zinc/75/19/45/598751945.db2.gz YAUHRQKHSYHVFI-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639745 599380105 /nfs/dbraw/zinc/38/01/05/599380105.db2.gz GWSQGOKJCOIGHQ-GOSISDBHSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639745 599380107 /nfs/dbraw/zinc/38/01/07/599380107.db2.gz GWSQGOKJCOIGHQ-GOSISDBHSA-N -1 3 395.423 2.260 20 5 GEBDHM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415551 607375666 /nfs/dbraw/zinc/37/56/66/607375666.db2.gz JUSJJBLDJFWCEC-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415551 607375667 /nfs/dbraw/zinc/37/56/67/607375667.db2.gz JUSJJBLDJFWCEC-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC(C)(C)C ZINC000820451627 599497268 /nfs/dbraw/zinc/49/72/68/599497268.db2.gz WKUHTWGOWBGSTL-SECBINFHSA-N -1 3 384.400 2.038 20 5 GEBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC(C)(C)C ZINC000820451627 599497271 /nfs/dbraw/zinc/49/72/71/599497271.db2.gz WKUHTWGOWBGSTL-SECBINFHSA-N -1 3 384.400 2.038 20 5 GEBDHM Cc1cc(C)n(C2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C2)n1 ZINC000822197595 599541653 /nfs/dbraw/zinc/54/16/53/599541653.db2.gz HCHBZWPPPZMCQH-UHFFFAOYSA-N -1 3 391.395 2.198 20 5 GEBDHM Cc1cc(C)n(C2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)C2)n1 ZINC000822197595 599541655 /nfs/dbraw/zinc/54/16/55/599541655.db2.gz HCHBZWPPPZMCQH-UHFFFAOYSA-N -1 3 391.395 2.198 20 5 GEBDHM CO[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000821676702 599557370 /nfs/dbraw/zinc/55/73/70/599557370.db2.gz FSOKIJKFUASNGD-NSHDSACASA-N -1 3 383.290 2.312 20 5 GEBDHM CO[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000821676702 599557372 /nfs/dbraw/zinc/55/73/72/599557372.db2.gz FSOKIJKFUASNGD-NSHDSACASA-N -1 3 383.290 2.312 20 5 GEBDHM CC(C)(C)OC(=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819928227 599572693 /nfs/dbraw/zinc/57/26/93/599572693.db2.gz LHKPNHDKXROZRT-UHFFFAOYSA-N -1 3 385.384 2.467 20 5 GEBDHM CC(C)(C)OC(=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819928227 599572695 /nfs/dbraw/zinc/57/26/95/599572695.db2.gz LHKPNHDKXROZRT-UHFFFAOYSA-N -1 3 385.384 2.467 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826184429 607390733 /nfs/dbraw/zinc/39/07/33/607390733.db2.gz WQUZJGXHVVJUBW-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826184429 607390735 /nfs/dbraw/zinc/39/07/35/607390735.db2.gz WQUZJGXHVVJUBW-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM CCN1CCN(C[C@@H](C)CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737116204 599854133 /nfs/dbraw/zinc/85/41/33/599854133.db2.gz OUMLVOQYVMUEBY-ZKKXHLJNSA-N -1 3 376.457 2.378 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000821742070 607410847 /nfs/dbraw/zinc/41/08/47/607410847.db2.gz YPLURWRAANALHW-UHFFFAOYSA-N -1 3 398.379 2.329 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000821742070 607410849 /nfs/dbraw/zinc/41/08/49/607410849.db2.gz YPLURWRAANALHW-UHFFFAOYSA-N -1 3 398.379 2.329 20 5 GEBDHM COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2Br)cc1-c1nnn[n-]1 ZINC000826208313 607543939 /nfs/dbraw/zinc/54/39/39/607543939.db2.gz DPKYEPNZRSGPSW-UHFFFAOYSA-N -1 3 394.189 2.099 20 5 GEBDHM COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2Br)cc1-c1nn[n-]n1 ZINC000826208313 607543941 /nfs/dbraw/zinc/54/39/41/607543941.db2.gz DPKYEPNZRSGPSW-UHFFFAOYSA-N -1 3 394.189 2.099 20 5 GEBDHM C[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CNC(=O)[O-] ZINC000825926354 603710014 /nfs/dbraw/zinc/71/00/14/603710014.db2.gz WNGAOAKVDBZUSE-WFASDCNBSA-N -1 3 392.412 2.261 20 5 GEBDHM Cc1cc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)nc(C)n1 ZINC000822206973 606102470 /nfs/dbraw/zinc/10/24/70/606102470.db2.gz GMVFEEUSLLJKSU-UHFFFAOYSA-N -1 3 395.427 2.263 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639517 606106181 /nfs/dbraw/zinc/10/61/81/606106181.db2.gz BUSTWDYFNPOYRY-HNNXBMFYSA-N -1 3 388.428 2.329 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639517 606106182 /nfs/dbraw/zinc/10/61/82/606106182.db2.gz BUSTWDYFNPOYRY-HNNXBMFYSA-N -1 3 388.428 2.329 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823214889 606112863 /nfs/dbraw/zinc/11/28/63/606112863.db2.gz FJJMQPZMAQMFBR-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000823630297 606144121 /nfs/dbraw/zinc/14/41/21/606144121.db2.gz WHDNNPBSMRXISF-FPLPWBNLSA-N -1 3 391.340 2.294 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000823630297 606144123 /nfs/dbraw/zinc/14/41/23/606144123.db2.gz WHDNNPBSMRXISF-FPLPWBNLSA-N -1 3 391.340 2.294 20 5 GEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000822655811 606209698 /nfs/dbraw/zinc/20/96/98/606209698.db2.gz YRLDUKYGEVGKGQ-UHFFFAOYSA-N -1 3 396.392 2.489 20 5 GEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000822655811 606209699 /nfs/dbraw/zinc/20/96/99/606209699.db2.gz YRLDUKYGEVGKGQ-UHFFFAOYSA-N -1 3 396.392 2.489 20 5 GEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821607580 606218067 /nfs/dbraw/zinc/21/80/67/606218067.db2.gz VBSWEYRTQPYKIB-UHFFFAOYSA-N -1 3 375.776 2.039 20 5 GEBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821607580 606218068 /nfs/dbraw/zinc/21/80/68/606218068.db2.gz VBSWEYRTQPYKIB-UHFFFAOYSA-N -1 3 375.776 2.039 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821846256 606242033 /nfs/dbraw/zinc/24/20/33/606242033.db2.gz OVYMYEMNHSMZLP-AWEZNQCLSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821846256 606242035 /nfs/dbraw/zinc/24/20/35/606242035.db2.gz OVYMYEMNHSMZLP-AWEZNQCLSA-N -1 3 395.379 2.001 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823346877 606268990 /nfs/dbraw/zinc/26/89/90/606268990.db2.gz RUJYYIFXHGHCGO-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823346877 606268992 /nfs/dbraw/zinc/26/89/92/606268992.db2.gz RUJYYIFXHGHCGO-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM C[C@@H](N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419409 606301074 /nfs/dbraw/zinc/30/10/74/606301074.db2.gz GTARLULZGIUVJI-YGRLFVJLSA-N -1 3 399.436 2.293 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823055374 606364904 /nfs/dbraw/zinc/36/49/04/606364904.db2.gz NIIBNLKRNJFHPO-UHFFFAOYSA-N -1 3 396.319 2.038 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823055374 606364906 /nfs/dbraw/zinc/36/49/06/606364906.db2.gz NIIBNLKRNJFHPO-UHFFFAOYSA-N -1 3 396.319 2.038 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823077836 606375600 /nfs/dbraw/zinc/37/56/00/606375600.db2.gz BGXFSWLWMAZPHY-UHFFFAOYSA-N -1 3 380.320 2.202 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823077836 606375601 /nfs/dbraw/zinc/37/56/01/606375601.db2.gz BGXFSWLWMAZPHY-UHFFFAOYSA-N -1 3 380.320 2.202 20 5 GEBDHM COc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)s3)C(=O)O2)cc1[N+](=O)[O-] ZINC000821782874 606392161 /nfs/dbraw/zinc/39/21/61/606392161.db2.gz QNOUVQLGQCOSJX-JXMROGBWSA-N -1 3 398.360 2.190 20 5 GEBDHM CC[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820925088 606483626 /nfs/dbraw/zinc/48/36/26/606483626.db2.gz DBVCHJNHNRWEOZ-OAHLLOKOSA-N -1 3 388.409 2.205 20 5 GEBDHM CC[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820925088 606483627 /nfs/dbraw/zinc/48/36/27/606483627.db2.gz DBVCHJNHNRWEOZ-OAHLLOKOSA-N -1 3 388.409 2.205 20 5 GEBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820121300 606537253 /nfs/dbraw/zinc/53/72/53/606537253.db2.gz PDSYBSYMLIKZRU-UHFFFAOYSA-N -1 3 381.396 2.408 20 5 GEBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820121300 606537255 /nfs/dbraw/zinc/53/72/55/606537255.db2.gz PDSYBSYMLIKZRU-UHFFFAOYSA-N -1 3 381.396 2.408 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820508880 606567315 /nfs/dbraw/zinc/56/73/15/606567315.db2.gz ZPIREGHDUNQMJC-MRVPVSSYSA-N -1 3 388.365 2.020 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820508880 606567317 /nfs/dbraw/zinc/56/73/17/606567317.db2.gz ZPIREGHDUNQMJC-MRVPVSSYSA-N -1 3 388.365 2.020 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(OCCCOc2ccccc2)C1 ZINC000823630093 606643951 /nfs/dbraw/zinc/64/39/51/606643951.db2.gz QYBSMJUNEFHQHH-UHFFFAOYSA-N -1 3 396.407 2.449 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(OCCCOc2ccccc2)C1 ZINC000823630093 606643952 /nfs/dbraw/zinc/64/39/52/606643952.db2.gz QYBSMJUNEFHQHH-UHFFFAOYSA-N -1 3 396.407 2.449 20 5 GEBDHM C[C@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)cn2)CCO1 ZINC000820776966 606644662 /nfs/dbraw/zinc/64/46/62/606644662.db2.gz OJCPYGFTVYLWET-LBPRGKRZSA-N -1 3 396.411 2.007 20 5 GEBDHM C[C@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)cn2)CCO1 ZINC000820776966 606644663 /nfs/dbraw/zinc/64/46/63/606644663.db2.gz OJCPYGFTVYLWET-LBPRGKRZSA-N -1 3 396.411 2.007 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000823639751 606772477 /nfs/dbraw/zinc/77/24/77/606772477.db2.gz HAHOSWBGHPMQPH-UHFFFAOYSA-N -1 3 384.787 2.366 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000823639751 606772478 /nfs/dbraw/zinc/77/24/78/606772478.db2.gz HAHOSWBGHPMQPH-UHFFFAOYSA-N -1 3 384.787 2.366 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000823644054 606794501 /nfs/dbraw/zinc/79/45/01/606794501.db2.gz DZSMTWQZQXVITQ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000823644054 606794503 /nfs/dbraw/zinc/79/45/03/606794503.db2.gz DZSMTWQZQXVITQ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823630000 606876817 /nfs/dbraw/zinc/87/68/17/606876817.db2.gz PDRRYXLTSJESGF-MAUKXSAKSA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823630000 606876819 /nfs/dbraw/zinc/87/68/19/606876819.db2.gz PDRRYXLTSJESGF-MAUKXSAKSA-N -1 3 396.407 2.104 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821845426 606943644 /nfs/dbraw/zinc/94/36/44/606943644.db2.gz GCIDMFGBLUTQDA-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821845426 606943645 /nfs/dbraw/zinc/94/36/45/606943645.db2.gz GCIDMFGBLUTQDA-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000822137033 607004250 /nfs/dbraw/zinc/00/42/50/607004250.db2.gz UEUJARNNRXEAQH-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000822137033 607004252 /nfs/dbraw/zinc/00/42/52/607004252.db2.gz UEUJARNNRXEAQH-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000822270852 607004307 /nfs/dbraw/zinc/00/43/07/607004307.db2.gz AIVBFSGPHFFSSJ-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000822270852 607004309 /nfs/dbraw/zinc/00/43/09/607004309.db2.gz AIVBFSGPHFFSSJ-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823665489 607009009 /nfs/dbraw/zinc/00/90/09/607009009.db2.gz MAJAATKGDGXVSK-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823665489 607009011 /nfs/dbraw/zinc/00/90/11/607009011.db2.gz MAJAATKGDGXVSK-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM Cn1c(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000822604804 607037198 /nfs/dbraw/zinc/03/71/98/607037198.db2.gz LBIUBCGNXHOGNE-UHFFFAOYSA-N -1 3 381.381 2.117 20 5 GEBDHM Cn1c(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000822604804 607037199 /nfs/dbraw/zinc/03/71/99/607037199.db2.gz LBIUBCGNXHOGNE-UHFFFAOYSA-N -1 3 381.381 2.117 20 5 GEBDHM Cc1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822021053 607246184 /nfs/dbraw/zinc/24/61/84/607246184.db2.gz TZNDDFIWYVSGCT-UHFFFAOYSA-N -1 3 388.271 2.350 20 5 GEBDHM Cc1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822021053 607246185 /nfs/dbraw/zinc/24/61/85/607246185.db2.gz TZNDDFIWYVSGCT-UHFFFAOYSA-N -1 3 388.271 2.350 20 5 GEBDHM CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825379924 607799313 /nfs/dbraw/zinc/79/93/13/607799313.db2.gz MNPKXWWILTTZED-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825379924 607799314 /nfs/dbraw/zinc/79/93/14/607799314.db2.gz MNPKXWWILTTZED-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM C[C@H](CC(=O)OCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824391833 607810846 /nfs/dbraw/zinc/81/08/46/607810846.db2.gz LCAAXGKHUHVQIE-LLVKDONJSA-N -1 3 383.368 2.104 20 5 GEBDHM C[C@H](CC(=O)OCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824391833 607810847 /nfs/dbraw/zinc/81/08/47/607810847.db2.gz LCAAXGKHUHVQIE-LLVKDONJSA-N -1 3 383.368 2.104 20 5 GEBDHM Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)sc1C ZINC000826326945 607820454 /nfs/dbraw/zinc/82/04/54/607820454.db2.gz LPSQGDAVNKCEGT-UHFFFAOYSA-N -1 3 386.441 2.175 20 5 GEBDHM Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)sc1C ZINC000826326945 607820455 /nfs/dbraw/zinc/82/04/55/607820455.db2.gz LPSQGDAVNKCEGT-UHFFFAOYSA-N -1 3 386.441 2.175 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)COc1ccccc1Cl ZINC000826499358 607876777 /nfs/dbraw/zinc/87/67/77/607876777.db2.gz FSSPOGQWJLHGQC-SNVBAGLBSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)COc1ccccc1Cl ZINC000826499358 607876778 /nfs/dbraw/zinc/87/67/78/607876778.db2.gz FSSPOGQWJLHGQC-SNVBAGLBSA-N -1 3 391.771 2.247 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415595 607928674 /nfs/dbraw/zinc/92/86/74/607928674.db2.gz LGYZMNXEPORGCT-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415595 607928675 /nfs/dbraw/zinc/92/86/75/607928675.db2.gz LGYZMNXEPORGCT-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826411575 607957868 /nfs/dbraw/zinc/95/78/68/607957868.db2.gz DZISXZCFYNSFMR-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826411575 607957869 /nfs/dbraw/zinc/95/78/69/607957869.db2.gz DZISXZCFYNSFMR-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM O=C1C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000826478905 607968684 /nfs/dbraw/zinc/96/86/84/607968684.db2.gz LTQVUQAUEQSBMT-AWEZNQCLSA-N -1 3 393.407 2.236 20 5 GEBDHM O=C1C[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC000826478905 607968685 /nfs/dbraw/zinc/96/86/85/607968685.db2.gz LTQVUQAUEQSBMT-AWEZNQCLSA-N -1 3 393.407 2.236 20 5 GEBDHM Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1C ZINC000826290274 607968855 /nfs/dbraw/zinc/96/88/55/607968855.db2.gz HKGMQOCLWMEYAH-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1C ZINC000826290274 607968856 /nfs/dbraw/zinc/96/88/56/607968856.db2.gz HKGMQOCLWMEYAH-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM CCOC(=O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825517795 607987043 /nfs/dbraw/zinc/98/70/43/607987043.db2.gz MXKJDNUHDIAJGG-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM CCOC(=O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825517795 607987044 /nfs/dbraw/zinc/98/70/44/607987044.db2.gz MXKJDNUHDIAJGG-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826498217 608052792 /nfs/dbraw/zinc/05/27/92/608052792.db2.gz LPGHGUGBSIRKAK-CQSZACIVSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826498217 608052793 /nfs/dbraw/zinc/05/27/93/608052793.db2.gz LPGHGUGBSIRKAK-CQSZACIVSA-N -1 3 387.787 2.401 20 5 GEBDHM CCn1c(NC(=O)c2csc([N+](=O)[O-])c2)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825796575 608177673 /nfs/dbraw/zinc/17/76/73/608177673.db2.gz IFMXDDPWJHHYSZ-UHFFFAOYSA-N -1 3 384.381 2.458 20 5 GEBDHM CCn1c(NC(=O)c2csc([N+](=O)[O-])c2)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825796575 608177674 /nfs/dbraw/zinc/17/76/74/608177674.db2.gz IFMXDDPWJHHYSZ-UHFFFAOYSA-N -1 3 384.381 2.458 20 5 GEBDHM Cc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000826243212 608267546 /nfs/dbraw/zinc/26/75/46/608267546.db2.gz YVXSKJXKGUANRZ-UHFFFAOYSA-N -1 3 388.409 2.068 20 5 GEBDHM Cc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000826243212 608267548 /nfs/dbraw/zinc/26/75/48/608267548.db2.gz YVXSKJXKGUANRZ-UHFFFAOYSA-N -1 3 388.409 2.068 20 5 GEBDHM CNc1nc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000826099090 608379602 /nfs/dbraw/zinc/37/96/02/608379602.db2.gz XZSPDAOZZFEESP-UHFFFAOYSA-N -1 3 383.397 2.433 20 5 GEBDHM CNc1nc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000826099090 608379603 /nfs/dbraw/zinc/37/96/03/608379603.db2.gz XZSPDAOZZFEESP-UHFFFAOYSA-N -1 3 383.397 2.433 20 5 GEBDHM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824529289 608391388 /nfs/dbraw/zinc/39/13/88/608391388.db2.gz FYMXICMEYBCXHC-VXGBXAGGSA-N -1 3 381.396 2.453 20 5 GEBDHM C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824530672 608391644 /nfs/dbraw/zinc/39/16/44/608391644.db2.gz MSSFGPJDLZALPH-NEPJUHHUSA-N -1 3 381.396 2.453 20 5 GEBDHM C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824530672 608391645 /nfs/dbraw/zinc/39/16/45/608391645.db2.gz MSSFGPJDLZALPH-NEPJUHHUSA-N -1 3 381.396 2.453 20 5 GEBDHM C[C@@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824770449 608409605 /nfs/dbraw/zinc/40/96/05/608409605.db2.gz KQHZXDZNWUPSAW-LBPRGKRZSA-N -1 3 398.402 2.192 20 5 GEBDHM C[C@@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824770449 608409606 /nfs/dbraw/zinc/40/96/06/608409606.db2.gz KQHZXDZNWUPSAW-LBPRGKRZSA-N -1 3 398.402 2.192 20 5 GEBDHM CC(C)n1cnnc1C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000824377657 608667081 /nfs/dbraw/zinc/66/70/81/608667081.db2.gz KLOAGSBYMFGPRS-UHFFFAOYSA-N -1 3 383.416 2.331 20 5 GEBDHM CC(C)n1cnnc1C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000824377657 608667082 /nfs/dbraw/zinc/66/70/82/608667082.db2.gz KLOAGSBYMFGPRS-UHFFFAOYSA-N -1 3 383.416 2.331 20 5 GEBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2Br)c(C)c1[N+](=O)[O-] ZINC000826334654 609304721 /nfs/dbraw/zinc/30/47/21/609304721.db2.gz DFDZGZLJWPIQJK-UHFFFAOYSA-N -1 3 378.190 2.399 20 5 GEBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2Br)c(C)c1[N+](=O)[O-] ZINC000826334654 609304723 /nfs/dbraw/zinc/30/47/23/609304723.db2.gz DFDZGZLJWPIQJK-UHFFFAOYSA-N -1 3 378.190 2.399 20 5 GEBDHM CN(C[C@H]1CCCC[C@H]1O)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908537 609325342 /nfs/dbraw/zinc/32/53/42/609325342.db2.gz JCOMVXQJEABVRA-BDJLRTHQSA-N -1 3 383.412 2.310 20 5 GEBDHM CN(C[C@H]1CCCC[C@H]1O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908537 609325344 /nfs/dbraw/zinc/32/53/44/609325344.db2.gz JCOMVXQJEABVRA-BDJLRTHQSA-N -1 3 383.412 2.310 20 5 GEBDHM CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000825817852 609378078 /nfs/dbraw/zinc/37/80/78/609378078.db2.gz QRVKOFPEIJDSOM-UHFFFAOYSA-N -1 3 397.351 2.279 20 5 GEBDHM CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000825817852 609378079 /nfs/dbraw/zinc/37/80/79/609378079.db2.gz QRVKOFPEIJDSOM-UHFFFAOYSA-N -1 3 397.351 2.279 20 5 GEBDHM Cc1c(Br)c(=O)n(Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826243068 609492294 /nfs/dbraw/zinc/49/22/94/609492294.db2.gz SEZRJVYUFOPJLQ-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM Cc1c(Br)c(=O)n(Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826243068 609492296 /nfs/dbraw/zinc/49/22/96/609492296.db2.gz SEZRJVYUFOPJLQ-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM Cn1cc(C(C)(C)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826359051 609511313 /nfs/dbraw/zinc/51/13/13/609511313.db2.gz SZNUXVOECAYSHM-UHFFFAOYSA-N -1 3 390.791 2.078 20 5 GEBDHM Cn1cc(C(C)(C)C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826359051 609511315 /nfs/dbraw/zinc/51/13/15/609511315.db2.gz SZNUXVOECAYSHM-UHFFFAOYSA-N -1 3 390.791 2.078 20 5 GEBDHM O=C1[C@H](Nc2ccccc2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477528 609575615 /nfs/dbraw/zinc/57/56/15/609575615.db2.gz FWBWRAHHBKJIGM-OAHLLOKOSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@H](Nc2ccccc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477528 609575616 /nfs/dbraw/zinc/57/56/16/609575616.db2.gz FWBWRAHHBKJIGM-OAHLLOKOSA-N -1 3 379.380 2.382 20 5 GEBDHM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000451027016 650081368 /nfs/dbraw/zinc/08/13/68/650081368.db2.gz MHVORSQXMNXYGP-UHFFFAOYSA-N -1 3 390.219 2.147 20 5 GEBDHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000451735287 650137287 /nfs/dbraw/zinc/13/72/87/650137287.db2.gz NGYWDYNYDBYCBO-ZDUSSCGKSA-N -1 3 377.850 2.029 20 5 GEBDHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451945967 650156256 /nfs/dbraw/zinc/15/62/56/650156256.db2.gz KIAVWGRLZJCNFZ-PWSUYJOCSA-N -1 3 376.818 2.258 20 5 GEBDHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451946890 650156473 /nfs/dbraw/zinc/15/64/73/650156473.db2.gz NJKNZOMMZMFELB-MNOVXSKESA-N -1 3 376.818 2.258 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](O)CC ZINC000451974927 650159855 /nfs/dbraw/zinc/15/98/55/650159855.db2.gz JTCMTFRJFLGTIJ-MNOVXSKESA-N -1 3 381.248 2.185 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000503730576 650421897 /nfs/dbraw/zinc/42/18/97/650421897.db2.gz FOKHJDOXLZJRAC-UWVGGRQHSA-N -1 3 393.259 2.451 20 5 GEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000462491290 650482041 /nfs/dbraw/zinc/48/20/41/650482041.db2.gz DFKBQIHHBKRXKO-JTQLQIEISA-N -1 3 378.834 2.362 20 5 GEBDHM O=C(NCc1ncccc1[O-])c1cc(I)cc([N+](=O)[O-])c1 ZINC000526941686 650665478 /nfs/dbraw/zinc/66/54/78/650665478.db2.gz HSPMAWIMXVMSQJ-UHFFFAOYSA-N -1 3 399.144 2.230 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1 ZINC000101579285 643110900 /nfs/dbraw/zinc/11/09/00/643110900.db2.gz PUTVCHPRYCQJIQ-UHFFFAOYSA-N -1 3 387.776 2.304 20 5 GEBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120186069 643595219 /nfs/dbraw/zinc/59/52/19/643595219.db2.gz OOTLEUJJCHWYKW-UHFFFAOYSA-N -1 3 375.815 2.470 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000132930814 643888397 /nfs/dbraw/zinc/88/83/97/643888397.db2.gz AQFGMVJABXKTCZ-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000543169683 650902435 /nfs/dbraw/zinc/90/24/35/650902435.db2.gz MIVNYETVLYLMQI-PRHODGIISA-N -1 3 379.232 2.203 20 5 GEBDHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178742885 644438214 /nfs/dbraw/zinc/43/82/14/644438214.db2.gz VWJROMVGRYOHDG-LBPRGKRZSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000194450223 645328583 /nfs/dbraw/zinc/32/85/83/645328583.db2.gz UYPMTMYVOUPMPW-UHFFFAOYSA-N -1 3 390.215 2.441 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000249945160 645563325 /nfs/dbraw/zinc/56/33/25/645563325.db2.gz UFNGFSAYNXXTOE-WCQGTBRESA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c1Cl ZINC000269144799 646019709 /nfs/dbraw/zinc/01/97/09/646019709.db2.gz OTFHTNZTZUAISK-UHFFFAOYSA-N -1 3 379.225 2.385 20 5 GEBDHM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269504724 646042459 /nfs/dbraw/zinc/04/24/59/646042459.db2.gz YGLNGXAXBFZUDD-SECBINFHSA-N -1 3 378.332 2.177 20 5 GEBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000269769876 646054297 /nfs/dbraw/zinc/05/42/97/646054297.db2.gz OVJQFHMCWAXNLZ-UHFFFAOYSA-N -1 3 379.232 2.205 20 5 GEBDHM Cc1c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cnn1C ZINC000279488247 646604367 /nfs/dbraw/zinc/60/43/67/646604367.db2.gz OYLKVMLEXAZFET-UHFFFAOYSA-N -1 3 379.225 2.422 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCOCC2)C1 ZINC000331398121 647384059 /nfs/dbraw/zinc/38/40/59/647384059.db2.gz LEJVVVSXIZWBMH-GFCCVEGCSA-N -1 3 390.845 2.255 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000416493053 648147460 /nfs/dbraw/zinc/14/74/60/648147460.db2.gz FYRYXYPVWCDDDW-OIBJUYFYSA-N -1 3 392.302 2.297 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1 ZINC000416524003 648159290 /nfs/dbraw/zinc/15/92/90/648159290.db2.gz KNMLVKJHVJBKFP-LLVKDONJSA-N -1 3 382.360 2.443 20 5 GEBDHM O=C(Nc1cc2ccc(Br)cn2n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000513752134 648440701 /nfs/dbraw/zinc/44/07/01/648440701.db2.gz OMCJBNRIYSKABT-UHFFFAOYSA-N -1 3 378.142 2.358 20 5 GEBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443319319 648872197 /nfs/dbraw/zinc/87/21/97/648872197.db2.gz KAQYYXHNKSODCF-NXEZZACHSA-N -1 3 395.275 2.433 20 5 GEBDHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443319325 648872719 /nfs/dbraw/zinc/87/27/19/648872719.db2.gz KAQYYXHNKSODCF-VHSXEESVSA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000443352680 648873655 /nfs/dbraw/zinc/87/36/55/648873655.db2.gz RCKUJEGKICDJJP-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM CN(C)c1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC000552396973 651148195 /nfs/dbraw/zinc/14/81/95/651148195.db2.gz MGIZWYSFNTUSLA-UHFFFAOYSA-N -1 3 382.174 2.171 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccc(F)cc3)[nH]2)s1 ZINC000609598012 651626415 /nfs/dbraw/zinc/62/64/15/651626415.db2.gz WGMIQSNRMULYRF-UHFFFAOYSA-N -1 3 383.386 2.059 20 5 GEBDHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610957404 651695397 /nfs/dbraw/zinc/69/53/97/651695397.db2.gz RJAZSXWCYMAPKF-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1O ZINC000611019025 651700614 /nfs/dbraw/zinc/70/06/14/651700614.db2.gz QGZLOOJSTNNWER-UHFFFAOYSA-N -1 3 386.813 2.483 20 5 GEBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000745941131 652089222 /nfs/dbraw/zinc/08/92/22/652089222.db2.gz OOKIHRZZEVCISH-LLVKDONJSA-N -1 3 381.248 2.307 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000751401457 652344969 /nfs/dbraw/zinc/34/49/69/652344969.db2.gz ALAOOYUDZBBZLI-SNVBAGLBSA-N -1 3 376.740 2.148 20 5 GEBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000751436923 652349623 /nfs/dbraw/zinc/34/96/23/652349623.db2.gz DCZIRQILUFSIDL-ZDUSSCGKSA-N -1 3 376.843 2.496 20 5 GEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000759167265 652565491 /nfs/dbraw/zinc/56/54/91/652565491.db2.gz FZTYNEMUIGFZHC-UHFFFAOYSA-N -1 3 378.288 2.194 20 5 GEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2cccc([O-])c2Cl)c1 ZINC000590184042 652576427 /nfs/dbraw/zinc/57/64/27/652576427.db2.gz ZYHIHXGIDVFSMG-UHFFFAOYSA-N -1 3 385.829 2.022 20 5 GEBDHM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594808618 652684456 /nfs/dbraw/zinc/68/44/56/652684456.db2.gz OHUJNRJHSJLFOZ-QKCSRTOESA-N -1 3 392.861 2.093 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599481409 652875345 /nfs/dbraw/zinc/87/53/45/652875345.db2.gz CTEGNUOEGFROLT-CMPLNLGQSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])s1 ZINC000601374835 653089181 /nfs/dbraw/zinc/08/91/81/653089181.db2.gz MBDKIEYJMRIDSF-GWCFXTLKSA-N -1 3 378.497 2.298 20 5 GEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000776158054 653340838 /nfs/dbraw/zinc/34/08/38/653340838.db2.gz KTGTWOGTQDOPEE-UHFFFAOYSA-N -1 3 378.698 2.385 20 5 GEBDHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000859422789 653461584 /nfs/dbraw/zinc/46/15/84/653461584.db2.gz ZWAKDJHJPGKJGZ-WAAGHKOSSA-N -1 3 379.232 2.061 20 5 GEBDHM Cc1nccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1Br ZINC000783611094 653681637 /nfs/dbraw/zinc/68/16/37/653681637.db2.gz QVAVWPYMLWSXDH-UHFFFAOYSA-N -1 3 378.229 2.345 20 5 GEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)O1 ZINC000841559760 653733589 /nfs/dbraw/zinc/73/35/89/653733589.db2.gz HDMMSAGYKDKMDK-UTLUCORTSA-N -1 3 393.259 2.449 20 5 GEBDHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000845966642 653873520 /nfs/dbraw/zinc/87/35/20/653873520.db2.gz AROREBPQCJOLFU-CABZTGNLSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br ZINC000795572070 653959323 /nfs/dbraw/zinc/95/93/23/653959323.db2.gz OIJIDNYLDZRYBA-UHFFFAOYSA-N -1 3 375.204 2.200 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@H]23)c1 ZINC000795796332 653966760 /nfs/dbraw/zinc/96/67/60/653966760.db2.gz OHRDPRBDMYLUES-NWDGAFQWSA-N -1 3 377.825 2.292 20 5 GEBDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796138702 653987775 /nfs/dbraw/zinc/98/77/75/653987775.db2.gz CNZXXGRQRHLBCS-NXEZZACHSA-N -1 3 393.259 2.308 20 5 GEBDHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000849469511 654043606 /nfs/dbraw/zinc/04/36/06/654043606.db2.gz WYBGMOJUUJDTRA-ZDUSSCGKSA-N -1 3 382.797 2.126 20 5 GEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000804991852 654332274 /nfs/dbraw/zinc/33/22/74/654332274.db2.gz LYZYOUPVJPYRGI-UHFFFAOYSA-N -1 3 375.765 2.140 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COC[C@@H]2C2CC2)c(Br)c1 ZINC000908412755 654627770 /nfs/dbraw/zinc/62/77/70/654627770.db2.gz VPEBMNYLWMWIES-PWSUYJOCSA-N -1 3 391.243 2.061 20 5 GEBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000152796880 531571204 /nfs/dbraw/zinc/57/12/04/531571204.db2.gz FFDHJTYOFKYJGQ-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCO1 ZINC000156107050 531714139 /nfs/dbraw/zinc/71/41/39/531714139.db2.gz MIZVTXYCMSPIDY-LBPRGKRZSA-N -1 3 379.232 2.205 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(=O)Nc1ccc(Cl)cc1 ZINC000053671660 531769800 /nfs/dbraw/zinc/76/98/00/531769800.db2.gz FQBXHDJEDDVUGJ-UHFFFAOYSA-N -1 3 383.813 2.474 20 5 GEBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[S@](C)=O ZINC000163488694 531858964 /nfs/dbraw/zinc/85/89/64/531858964.db2.gz SKDKNCFONZSSKK-OTHYDSGKSA-N -1 3 388.389 2.049 20 5 GEBDHM COC(=O)c1sccc1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000068248436 531902072 /nfs/dbraw/zinc/90/20/72/531902072.db2.gz FSAYSYXVFUSXJP-UHFFFAOYSA-N -1 3 384.391 2.099 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([S@](C)=O)cc2)c1C ZINC000121331307 532023038 /nfs/dbraw/zinc/02/30/38/532023038.db2.gz XXJZCRBZNGMAMI-XMMPIXPASA-N -1 3 382.463 2.428 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000122969389 532087579 /nfs/dbraw/zinc/08/75/79/532087579.db2.gz TXXYTAQZTLXWGB-UHFFFAOYSA-N -1 3 383.451 2.145 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000176678897 532145968 /nfs/dbraw/zinc/14/59/68/532145968.db2.gz BGGYPNZNXMOTPV-VIFPVBQESA-N -1 3 377.850 2.138 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1ccc(F)cc1Cl ZINC000136162933 532282760 /nfs/dbraw/zinc/28/27/60/532282760.db2.gz PUSNHFDVIBZWHV-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000186905748 532342443 /nfs/dbraw/zinc/34/24/43/532342443.db2.gz ZEBSNSAXEBXNAM-UHFFFAOYSA-N -1 3 376.312 2.499 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)cc1Br ZINC000190649012 532357180 /nfs/dbraw/zinc/35/71/80/532357180.db2.gz YMBQHMSULNPHKG-IRUJWGPZSA-N -1 3 391.243 2.203 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000187446616 532344456 /nfs/dbraw/zinc/34/44/56/532344456.db2.gz XDPTWFQUXDMBLQ-UHFFFAOYSA-N -1 3 389.430 2.337 20 5 GEBDHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000278010710 532368948 /nfs/dbraw/zinc/36/89/48/532368948.db2.gz VURIOFKXLDBOAR-PRHODGIISA-N -1 3 379.232 2.061 20 5 GEBDHM Nc1ccc([N+](=O)[O-])c(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000192773411 532408792 /nfs/dbraw/zinc/40/87/92/532408792.db2.gz DZMFNLQYAUAAGV-UHFFFAOYSA-N -1 3 382.467 2.186 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000281150737 532421161 /nfs/dbraw/zinc/42/11/61/532421161.db2.gz KRLADRMLCYFBKS-UHFFFAOYSA-N -1 3 380.304 2.092 20 5 GEBDHM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467068755 532438423 /nfs/dbraw/zinc/43/84/23/532438423.db2.gz GXFNSSIEJBBSJV-UHFFFAOYSA-N -1 3 384.435 2.272 20 5 GEBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000296120650 532502651 /nfs/dbraw/zinc/50/26/51/532502651.db2.gz HRZRDSYRLZEAKE-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000296113519 532503229 /nfs/dbraw/zinc/50/32/29/532503229.db2.gz HEZROIBJHOVMRN-SECBINFHSA-N -1 3 386.348 2.239 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594860286 532537174 /nfs/dbraw/zinc/53/71/74/532537174.db2.gz MCVUFOUQOMLWCV-CHWSQXEVSA-N -1 3 384.483 2.388 20 5 GEBDHM Nc1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000283415319 532538497 /nfs/dbraw/zinc/53/84/97/532538497.db2.gz BETFQEFJBKXSRF-UHFFFAOYSA-N -1 3 382.467 2.186 20 5 GEBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000564567189 532529805 /nfs/dbraw/zinc/52/98/05/532529805.db2.gz JKNOWTKRZXJBAE-ZDUSSCGKSA-N -1 3 384.483 2.413 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C ZINC000595382054 532562799 /nfs/dbraw/zinc/56/27/99/532562799.db2.gz BUURTJWKWFLOIR-MRVPVSSYSA-N -1 3 378.332 2.387 20 5 GEBDHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000440093213 532706788 /nfs/dbraw/zinc/70/67/88/532706788.db2.gz RTIADNDYOSEFEY-KTLBGCOUSA-N -1 3 376.818 2.424 20 5 GEBDHM CN1C(=O)COc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc21 ZINC000611928020 532722279 /nfs/dbraw/zinc/72/22/79/532722279.db2.gz CHQZGFBZTPZDDJ-UHFFFAOYSA-N -1 3 383.407 2.159 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c(Br)c1 ZINC000443234930 532743412 /nfs/dbraw/zinc/74/34/12/532743412.db2.gz RRUAFUIVSLKVJG-GXSJLCMTSA-N -1 3 393.259 2.187 20 5 GEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443292981 532744839 /nfs/dbraw/zinc/74/48/39/532744839.db2.gz IVBLJXSGUUKABR-GFCCVEGCSA-N -1 3 395.275 2.433 20 5 GEBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443332681 532746218 /nfs/dbraw/zinc/74/62/18/532746218.db2.gz IJNXLOXKDUCCKL-MWLCHTKSSA-N -1 3 395.275 2.433 20 5 GEBDHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446943326 532756360 /nfs/dbraw/zinc/75/63/60/532756360.db2.gz WWVFDSJWSPKQAC-UHFFFAOYSA-N -1 3 384.332 2.234 20 5 GEBDHM COC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000325836446 532789464 /nfs/dbraw/zinc/78/94/64/532789464.db2.gz VLLHZKMZOZFKJO-UHFFFAOYSA-N -1 3 376.818 2.258 20 5 GEBDHM NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000551115719 532799597 /nfs/dbraw/zinc/79/95/97/532799597.db2.gz MNYHZIYRIBQTMG-UHFFFAOYSA-N -1 3 384.801 2.217 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOCC2)c(Br)c1 ZINC000271963132 532812645 /nfs/dbraw/zinc/81/26/45/532812645.db2.gz MADLKHHHIPFAMI-VIFPVBQESA-N -1 3 379.232 2.205 20 5 GEBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000053524199 205137372 /nfs/dbraw/zinc/13/73/72/205137372.db2.gz REIWLFUYQNAYLK-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000053524199 205137375 /nfs/dbraw/zinc/13/73/75/205137375.db2.gz REIWLFUYQNAYLK-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000274798980 532856645 /nfs/dbraw/zinc/85/66/45/532856645.db2.gz PYJXCPMVGVPJQE-XHDPSFHLSA-N -1 3 390.458 2.375 20 5 GEBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000275027229 532861553 /nfs/dbraw/zinc/86/15/53/532861553.db2.gz BPANNYKPNHDPJO-UHFFFAOYSA-N -1 3 385.320 2.394 20 5 GEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416367985 532872227 /nfs/dbraw/zinc/87/22/27/532872227.db2.gz GBVLURPCJPGEKD-LLVKDONJSA-N -1 3 381.376 2.376 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1 ZINC000416436901 532877217 /nfs/dbraw/zinc/87/72/17/532877217.db2.gz FEAYZOKMOHVCNC-MFKMUULPSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1nn(C)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416458183 532878197 /nfs/dbraw/zinc/87/81/97/532878197.db2.gz PNJRBXCKRJTJKA-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000276291228 532892567 /nfs/dbraw/zinc/89/25/67/532892567.db2.gz ZTJLRUZYFPXIIJ-SNVBAGLBSA-N -1 3 384.435 2.352 20 5 GEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000293875377 532932694 /nfs/dbraw/zinc/93/26/94/532932694.db2.gz SXPXTZQIWBIQMB-LLVKDONJSA-N -1 3 379.232 2.061 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737894786 598847687 /nfs/dbraw/zinc/84/76/87/598847687.db2.gz KIJSFFYGCCGXSE-UHFFFAOYSA-N -1 3 395.423 2.326 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737115799 598883556 /nfs/dbraw/zinc/88/35/56/598883556.db2.gz OVKBZEMSWJKGSH-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737115799 598883558 /nfs/dbraw/zinc/88/35/58/598883558.db2.gz OVKBZEMSWJKGSH-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000736037839 598884232 /nfs/dbraw/zinc/88/42/32/598884232.db2.gz OXJBINBQMVOMBD-LBPRGKRZSA-N -1 3 399.363 2.164 20 5 GEBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000736037839 598884233 /nfs/dbraw/zinc/88/42/33/598884233.db2.gz OXJBINBQMVOMBD-LBPRGKRZSA-N -1 3 399.363 2.164 20 5 GEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCCOc3ccc(-c4nn[n-]n4)cc3)cc2N1 ZINC000823535741 599049107 /nfs/dbraw/zinc/04/91/07/599049107.db2.gz GIDJZBUPAWJMLB-UHFFFAOYSA-N -1 3 395.379 2.151 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c([N+](=O)[O-])c1 ZINC000736690413 599084843 /nfs/dbraw/zinc/08/48/43/599084843.db2.gz KPENCKBZYSUXJZ-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c([N+](=O)[O-])c1 ZINC000736690413 599084845 /nfs/dbraw/zinc/08/48/45/599084845.db2.gz KPENCKBZYSUXJZ-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821406182 599144657 /nfs/dbraw/zinc/14/46/57/599144657.db2.gz BMUAIOXSMVPFJE-UHFFFAOYSA-N -1 3 397.395 2.249 20 5 GEBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821406182 599144660 /nfs/dbraw/zinc/14/46/60/599144660.db2.gz BMUAIOXSMVPFJE-UHFFFAOYSA-N -1 3 397.395 2.249 20 5 GEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738314163 599160647 /nfs/dbraw/zinc/16/06/47/599160647.db2.gz RRUMGOUXORHRLJ-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738314163 599160648 /nfs/dbraw/zinc/16/06/48/599160648.db2.gz RRUMGOUXORHRLJ-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738233887 599242464 /nfs/dbraw/zinc/24/24/64/599242464.db2.gz WKXNNAIPLKDWIC-UHFFFAOYSA-N -1 3 392.331 2.386 20 5 GEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738233887 599242467 /nfs/dbraw/zinc/24/24/67/599242467.db2.gz WKXNNAIPLKDWIC-UHFFFAOYSA-N -1 3 392.331 2.386 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000738368841 598245961 /nfs/dbraw/zinc/24/59/61/598245961.db2.gz DPAKPYJPVBPTHR-UHFFFAOYSA-N -1 3 396.367 2.010 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000738368841 598245962 /nfs/dbraw/zinc/24/59/62/598245962.db2.gz DPAKPYJPVBPTHR-UHFFFAOYSA-N -1 3 396.367 2.010 20 5 GEBDHM O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738370261 598256910 /nfs/dbraw/zinc/25/69/10/598256910.db2.gz SYHKSPXUFPCEKO-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370144 598504342 /nfs/dbraw/zinc/50/43/42/598504342.db2.gz QHTXRMCMRTXHLL-MRXNPFEDSA-N -1 3 399.386 2.259 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370144 598504343 /nfs/dbraw/zinc/50/43/43/598504343.db2.gz QHTXRMCMRTXHLL-MRXNPFEDSA-N -1 3 399.386 2.259 20 5 GEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738232514 598575494 /nfs/dbraw/zinc/57/54/94/598575494.db2.gz KLPDYAPUXQOQRQ-QGZVFWFLSA-N -1 3 394.391 2.487 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000737944188 598650622 /nfs/dbraw/zinc/65/06/22/598650622.db2.gz WNBBUTQLJJXYHY-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000737944188 598650623 /nfs/dbraw/zinc/65/06/23/598650623.db2.gz WNBBUTQLJJXYHY-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738272231 598747900 /nfs/dbraw/zinc/74/79/00/598747900.db2.gz ZNPMBZXMBBEOQQ-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM COC(=O)c1cc(OCCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000736949134 598752280 /nfs/dbraw/zinc/75/22/80/598752280.db2.gz CRCASSCYGIBXFD-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736949848 598755934 /nfs/dbraw/zinc/75/59/34/598755934.db2.gz HMQKIAMOTYUFLI-UHFFFAOYSA-N -1 3 386.280 2.262 20 5 GEBDHM COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000736949848 598755935 /nfs/dbraw/zinc/75/59/35/598755935.db2.gz HMQKIAMOTYUFLI-UHFFFAOYSA-N -1 3 386.280 2.262 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738368080 598758167 /nfs/dbraw/zinc/75/81/67/598758167.db2.gz CYQOISKQOPNYPU-UHFFFAOYSA-N -1 3 397.414 2.232 20 5 GEBDHM CC(C)OC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735893984 598794913 /nfs/dbraw/zinc/79/49/13/598794913.db2.gz ANJDRFSAFPNAMH-UHFFFAOYSA-N -1 3 375.389 2.196 20 5 GEBDHM CC(C)OC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000735893984 598794915 /nfs/dbraw/zinc/79/49/15/598794915.db2.gz ANJDRFSAFPNAMH-UHFFFAOYSA-N -1 3 375.389 2.196 20 5 GEBDHM O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415438 607367324 /nfs/dbraw/zinc/36/73/24/607367324.db2.gz GAQKGLZSIHHVPH-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415438 607367326 /nfs/dbraw/zinc/36/73/26/607367326.db2.gz GAQKGLZSIHHVPH-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM CCN1C[C@H](CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Oc2ccccc21 ZINC000821241157 599315389 /nfs/dbraw/zinc/31/53/89/599315389.db2.gz KIFPOAADCNFEIH-AWEZNQCLSA-N -1 3 395.423 2.499 20 5 GEBDHM CCN1C[C@H](CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Oc2ccccc21 ZINC000821241157 599315392 /nfs/dbraw/zinc/31/53/92/599315392.db2.gz KIFPOAADCNFEIH-AWEZNQCLSA-N -1 3 395.423 2.499 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000822137944 599360434 /nfs/dbraw/zinc/36/04/34/599360434.db2.gz YKWQBSHCCQUNII-UHFFFAOYSA-N -1 3 389.393 2.301 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000822137944 599360437 /nfs/dbraw/zinc/36/04/37/599360437.db2.gz YKWQBSHCCQUNII-UHFFFAOYSA-N -1 3 389.393 2.301 20 5 GEBDHM CC(C)(C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824064378 607374587 /nfs/dbraw/zinc/37/45/87/607374587.db2.gz FZWRSDZGOCQBBZ-UHFFFAOYSA-N -1 3 395.375 2.479 20 5 GEBDHM CC(C)(C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824064378 607374588 /nfs/dbraw/zinc/37/45/88/607374588.db2.gz FZWRSDZGOCQBBZ-UHFFFAOYSA-N -1 3 395.375 2.479 20 5 GEBDHM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415424 607375717 /nfs/dbraw/zinc/37/57/17/607375717.db2.gz FIYOZNNSYCFLOG-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415424 607375719 /nfs/dbraw/zinc/37/57/19/607375719.db2.gz FIYOZNNSYCFLOG-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC(C)(C)C ZINC000820451630 599496832 /nfs/dbraw/zinc/49/68/32/599496832.db2.gz WKUHTWGOWBGSTL-VIFPVBQESA-N -1 3 384.400 2.038 20 5 GEBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC(C)(C)C ZINC000820451630 599496833 /nfs/dbraw/zinc/49/68/33/599496833.db2.gz WKUHTWGOWBGSTL-VIFPVBQESA-N -1 3 384.400 2.038 20 5 GEBDHM O=C(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)NC1CCCCC1 ZINC000823009547 599504817 /nfs/dbraw/zinc/50/48/17/599504817.db2.gz MQEBSGXQZJBRMF-UHFFFAOYSA-N -1 3 396.411 2.184 20 5 GEBDHM O=C(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)NC1CCCCC1 ZINC000823009547 599504819 /nfs/dbraw/zinc/50/48/19/599504819.db2.gz MQEBSGXQZJBRMF-UHFFFAOYSA-N -1 3 396.411 2.184 20 5 GEBDHM COc1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000821868480 599508501 /nfs/dbraw/zinc/50/85/01/599508501.db2.gz RKCJTKKEHPYOGV-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM COc1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000821868480 599508503 /nfs/dbraw/zinc/50/85/03/599508503.db2.gz RKCJTKKEHPYOGV-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390139 599531473 /nfs/dbraw/zinc/53/14/73/599531473.db2.gz FTQFRRDMWBBVAC-SNVBAGLBSA-N -1 3 396.363 2.037 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390139 599531474 /nfs/dbraw/zinc/53/14/74/599531474.db2.gz FTQFRRDMWBBVAC-SNVBAGLBSA-N -1 3 396.363 2.037 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826251195 607383043 /nfs/dbraw/zinc/38/30/43/607383043.db2.gz IHHLIQPVMPOXBW-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826251195 607383046 /nfs/dbraw/zinc/38/30/46/607383046.db2.gz IHHLIQPVMPOXBW-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM O=C1CCCCN1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823530241 599542731 /nfs/dbraw/zinc/54/27/31/599542731.db2.gz FSPOAJAUNMZCHR-UHFFFAOYSA-N -1 3 396.411 2.138 20 5 GEBDHM O=C1CCCCN1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000823530241 599542732 /nfs/dbraw/zinc/54/27/32/599542732.db2.gz FSPOAJAUNMZCHR-UHFFFAOYSA-N -1 3 396.411 2.138 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826242808 607442894 /nfs/dbraw/zinc/44/28/94/607442894.db2.gz HIIKUOZRLCZGJY-UHFFFAOYSA-N -1 3 383.324 2.268 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826242808 607442895 /nfs/dbraw/zinc/44/28/95/607442895.db2.gz HIIKUOZRLCZGJY-UHFFFAOYSA-N -1 3 383.324 2.268 20 5 GEBDHM O=[N+]([O-])c1ccc(OC2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826498648 607509948 /nfs/dbraw/zinc/50/99/48/607509948.db2.gz DJGIFGOLJIGYNE-UHFFFAOYSA-N -1 3 381.396 2.213 20 5 GEBDHM Cc1nc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cs1 ZINC000826324892 607525311 /nfs/dbraw/zinc/52/53/11/607525311.db2.gz HZZCPOFYOIJZHI-UHFFFAOYSA-N -1 3 379.789 2.374 20 5 GEBDHM Cc1nc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cs1 ZINC000826324892 607525313 /nfs/dbraw/zinc/52/53/13/607525313.db2.gz HZZCPOFYOIJZHI-UHFFFAOYSA-N -1 3 379.789 2.374 20 5 GEBDHM COc1ccc(NC(=O)CCN2CCC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739922465 601972019 /nfs/dbraw/zinc/97/20/19/601972019.db2.gz YRMSZLSCSRZBSC-GFCCVEGCSA-N -1 3 380.401 2.006 20 5 GEBDHM CN(Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825992428 607541260 /nfs/dbraw/zinc/54/12/60/607541260.db2.gz WPDAYZQXOFBHLM-UHFFFAOYSA-N -1 3 382.306 2.164 20 5 GEBDHM CN(Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825992428 607541262 /nfs/dbraw/zinc/54/12/62/607541262.db2.gz WPDAYZQXOFBHLM-UHFFFAOYSA-N -1 3 382.306 2.164 20 5 GEBDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826199132 607562931 /nfs/dbraw/zinc/56/29/31/607562931.db2.gz QTDFVHWEMAJOMM-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826199132 607562933 /nfs/dbraw/zinc/56/29/33/607562933.db2.gz QTDFVHWEMAJOMM-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826499654 607572786 /nfs/dbraw/zinc/57/27/86/607572786.db2.gz REOPFYXVUIIHAF-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826418085 607595082 /nfs/dbraw/zinc/59/50/82/607595082.db2.gz QPYSHADZVLGTTD-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826418085 607595083 /nfs/dbraw/zinc/59/50/83/607595083.db2.gz QPYSHADZVLGTTD-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM COc1ccc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205447 607601081 /nfs/dbraw/zinc/60/10/81/607601081.db2.gz WQAXVCNMWYTRDC-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM COc1ccc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205447 607601082 /nfs/dbraw/zinc/60/10/82/607601082.db2.gz WQAXVCNMWYTRDC-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM CCc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821475933 606134600 /nfs/dbraw/zinc/13/46/00/606134600.db2.gz DLYLMSQHKABSTI-UHFFFAOYSA-N -1 3 383.368 2.001 20 5 GEBDHM CCc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821475933 606134601 /nfs/dbraw/zinc/13/46/01/606134601.db2.gz DLYLMSQHKABSTI-UHFFFAOYSA-N -1 3 383.368 2.001 20 5 GEBDHM CN(C)c1nc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821591142 606142176 /nfs/dbraw/zinc/14/21/76/606142176.db2.gz YAHIPQAOHVDNHG-UHFFFAOYSA-N -1 3 397.424 2.458 20 5 GEBDHM CN(C)c1nc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821591142 606142178 /nfs/dbraw/zinc/14/21/78/606142178.db2.gz YAHIPQAOHVDNHG-UHFFFAOYSA-N -1 3 397.424 2.458 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000823640194 606145925 /nfs/dbraw/zinc/14/59/25/606145925.db2.gz WXRQJIVMGHXLCL-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000823640194 606145927 /nfs/dbraw/zinc/14/59/27/606145927.db2.gz WXRQJIVMGHXLCL-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823215171 606351366 /nfs/dbraw/zinc/35/13/66/606351366.db2.gz KGZFQAHMJBPERC-UHFFFAOYSA-N -1 3 387.331 2.115 20 5 GEBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823215171 606351368 /nfs/dbraw/zinc/35/13/68/606351368.db2.gz KGZFQAHMJBPERC-UHFFFAOYSA-N -1 3 387.331 2.115 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822212761 606361108 /nfs/dbraw/zinc/36/11/08/606361108.db2.gz GPAVJQOGFUGKEF-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822212761 606361109 /nfs/dbraw/zinc/36/11/09/606361109.db2.gz GPAVJQOGFUGKEF-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648256 606362616 /nfs/dbraw/zinc/36/26/16/606362616.db2.gz FQRDIKNCKHWGJV-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648256 606362619 /nfs/dbraw/zinc/36/26/19/606362619.db2.gz FQRDIKNCKHWGJV-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822228795 606435824 /nfs/dbraw/zinc/43/58/24/606435824.db2.gz FTTYEYILTCUVBN-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228795 606435825 /nfs/dbraw/zinc/43/58/25/606435825.db2.gz FTTYEYILTCUVBN-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM CC[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820925087 606483824 /nfs/dbraw/zinc/48/38/24/606483824.db2.gz DBVCHJNHNRWEOZ-HNNXBMFYSA-N -1 3 388.409 2.205 20 5 GEBDHM CC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820925087 606483825 /nfs/dbraw/zinc/48/38/25/606483825.db2.gz DBVCHJNHNRWEOZ-HNNXBMFYSA-N -1 3 388.409 2.205 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823376105 606508158 /nfs/dbraw/zinc/50/81/58/606508158.db2.gz WZZJULUMXXNSES-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823376105 606508159 /nfs/dbraw/zinc/50/81/59/606508159.db2.gz WZZJULUMXXNSES-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823409020 606561267 /nfs/dbraw/zinc/56/12/67/606561267.db2.gz ANSKIPFJEZJXFD-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440188 606566528 /nfs/dbraw/zinc/56/65/28/606566528.db2.gz GZKVHOZMJKDHMG-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440188 606566529 /nfs/dbraw/zinc/56/65/29/606566529.db2.gz GZKVHOZMJKDHMG-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(c1ccsc1)N1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000823498450 606646207 /nfs/dbraw/zinc/64/62/07/606646207.db2.gz QCOJKGJRNFBCEW-UHFFFAOYSA-N -1 3 399.436 2.189 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823648634 606738850 /nfs/dbraw/zinc/73/88/50/606738850.db2.gz ZUOBPPGVRPXEFY-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823648634 606738851 /nfs/dbraw/zinc/73/88/51/606738851.db2.gz ZUOBPPGVRPXEFY-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823410227 606758057 /nfs/dbraw/zinc/75/80/57/606758057.db2.gz SFUAYHDFEAWYTP-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823410227 606758059 /nfs/dbraw/zinc/75/80/59/606758059.db2.gz SFUAYHDFEAWYTP-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000823648622 606960423 /nfs/dbraw/zinc/96/04/23/606960423.db2.gz ZENRCJOMCARJSC-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000823648622 606960424 /nfs/dbraw/zinc/96/04/24/606960424.db2.gz ZENRCJOMCARJSC-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822271450 607004091 /nfs/dbraw/zinc/00/40/91/607004091.db2.gz ZXWQORQATFWHMR-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822271450 607004092 /nfs/dbraw/zinc/00/40/92/607004092.db2.gz ZXWQORQATFWHMR-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000822222896 607005801 /nfs/dbraw/zinc/00/58/01/607005801.db2.gz XMIOHWXMUPJKRK-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000822222896 607005803 /nfs/dbraw/zinc/00/58/03/607005803.db2.gz XMIOHWXMUPJKRK-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(O)CCCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644613 607032409 /nfs/dbraw/zinc/03/24/09/607032409.db2.gz JMCGWXJZIYFAHL-BLVKFPJESA-N -1 3 395.423 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(O)CCCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644613 607032410 /nfs/dbraw/zinc/03/24/10/607032410.db2.gz JMCGWXJZIYFAHL-BLVKFPJESA-N -1 3 395.423 2.455 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000822222968 607049822 /nfs/dbraw/zinc/04/98/22/607049822.db2.gz ZMQYHYJVBHRCQH-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000822222968 607049824 /nfs/dbraw/zinc/04/98/24/607049824.db2.gz ZMQYHYJVBHRCQH-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823392165 607133691 /nfs/dbraw/zinc/13/36/91/607133691.db2.gz MGOLQMVUSHFESH-KBPBESRZSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823392165 607133693 /nfs/dbraw/zinc/13/36/93/607133693.db2.gz MGOLQMVUSHFESH-KBPBESRZSA-N -1 3 383.368 2.312 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000823645246 607145058 /nfs/dbraw/zinc/14/50/58/607145058.db2.gz QKYWTSXVOZHCOH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000823645246 607145060 /nfs/dbraw/zinc/14/50/60/607145060.db2.gz QKYWTSXVOZHCOH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823032052 607193406 /nfs/dbraw/zinc/19/34/06/607193406.db2.gz MBZYRWIGVHSEEB-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823009727 607229333 /nfs/dbraw/zinc/22/93/33/607229333.db2.gz RLFHTAHYTPAFCA-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826497762 607811249 /nfs/dbraw/zinc/81/12/49/607811249.db2.gz TWGUQSWXURTWCJ-IBGZPJMESA-N -1 3 378.392 2.453 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826497762 607811250 /nfs/dbraw/zinc/81/12/50/607811250.db2.gz TWGUQSWXURTWCJ-IBGZPJMESA-N -1 3 378.392 2.453 20 5 GEBDHM O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826420337 607817101 /nfs/dbraw/zinc/81/71/01/607817101.db2.gz ISNKZGGPIVMJSH-UHFFFAOYSA-N -1 3 384.421 2.325 20 5 GEBDHM O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826420337 607817102 /nfs/dbraw/zinc/81/71/02/607817102.db2.gz ISNKZGGPIVMJSH-UHFFFAOYSA-N -1 3 384.421 2.325 20 5 GEBDHM Cc1cc(C)cc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826264393 607869561 /nfs/dbraw/zinc/86/95/61/607869561.db2.gz MSSGGHSMOBIBCT-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cc(C)cc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826264393 607869562 /nfs/dbraw/zinc/86/95/62/607869562.db2.gz MSSGGHSMOBIBCT-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cc(C)c(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826263467 607872588 /nfs/dbraw/zinc/87/25/88/607872588.db2.gz CGZJWENUQKGQIH-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824045221 607942846 /nfs/dbraw/zinc/94/28/46/607942846.db2.gz JKMXITCHAWFUPP-GFCCVEGCSA-N -1 3 393.407 2.160 20 5 GEBDHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824045221 607942847 /nfs/dbraw/zinc/94/28/47/607942847.db2.gz JKMXITCHAWFUPP-GFCCVEGCSA-N -1 3 393.407 2.160 20 5 GEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824728799 607956355 /nfs/dbraw/zinc/95/63/55/607956355.db2.gz HOHWRFSFGHZZJH-LBPRGKRZSA-N -1 3 394.391 2.127 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826185209 607960864 /nfs/dbraw/zinc/96/08/64/607960864.db2.gz CEHYOOWWUDKGBQ-UHFFFAOYSA-N -1 3 395.379 2.374 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826185209 607960865 /nfs/dbraw/zinc/96/08/65/607960865.db2.gz CEHYOOWWUDKGBQ-UHFFFAOYSA-N -1 3 395.379 2.374 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498006 607970131 /nfs/dbraw/zinc/97/01/31/607970131.db2.gz CTVOKHYBVVXFIL-ZBEGNZNMSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498006 607970132 /nfs/dbraw/zinc/97/01/32/607970132.db2.gz CTVOKHYBVVXFIL-ZBEGNZNMSA-N -1 3 388.334 2.365 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000824755842 608002275 /nfs/dbraw/zinc/00/22/75/608002275.db2.gz LUEXGQUEUFUWPH-SECBINFHSA-N -1 3 394.351 2.057 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000824755842 608002276 /nfs/dbraw/zinc/00/22/76/608002276.db2.gz LUEXGQUEUFUWPH-SECBINFHSA-N -1 3 394.351 2.057 20 5 GEBDHM CCOC(=O)CC[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825507406 608018709 /nfs/dbraw/zinc/01/87/09/608018709.db2.gz QRSKHDFBUPWSRV-JTQLQIEISA-N -1 3 385.384 2.467 20 5 GEBDHM CCOC(=O)CC[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825507406 608018710 /nfs/dbraw/zinc/01/87/10/608018710.db2.gz QRSKHDFBUPWSRV-JTQLQIEISA-N -1 3 385.384 2.467 20 5 GEBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000826477398 608053592 /nfs/dbraw/zinc/05/35/92/608053592.db2.gz BWENDQJXEMNBSU-MRXNPFEDSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000826477398 608053593 /nfs/dbraw/zinc/05/35/93/608053593.db2.gz BWENDQJXEMNBSU-MRXNPFEDSA-N -1 3 393.407 2.378 20 5 GEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826497957 608067715 /nfs/dbraw/zinc/06/77/15/608067715.db2.gz AMCLYHOSKVYXGP-KRWDZBQOSA-N -1 3 384.371 2.488 20 5 GEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826497957 608067716 /nfs/dbraw/zinc/06/77/16/608067716.db2.gz AMCLYHOSKVYXGP-KRWDZBQOSA-N -1 3 384.371 2.488 20 5 GEBDHM COc1ccccc1OC[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826220777 608124380 /nfs/dbraw/zinc/12/43/80/608124380.db2.gz ZPYVFVPNZAAEHJ-LLVKDONJSA-N -1 3 385.384 2.306 20 5 GEBDHM COc1ccccc1OC[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826220777 608124381 /nfs/dbraw/zinc/12/43/81/608124381.db2.gz ZPYVFVPNZAAEHJ-LLVKDONJSA-N -1 3 385.384 2.306 20 5 GEBDHM Cn1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1C(F)F ZINC000826366130 608162003 /nfs/dbraw/zinc/16/20/03/608162003.db2.gz UHODEHWMHQXOHC-UHFFFAOYSA-N -1 3 398.717 2.352 20 5 GEBDHM Cn1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1C(F)F ZINC000826366130 608162004 /nfs/dbraw/zinc/16/20/04/608162004.db2.gz UHODEHWMHQXOHC-UHFFFAOYSA-N -1 3 398.717 2.352 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)OCO2 ZINC000826451010 608164309 /nfs/dbraw/zinc/16/43/09/608164309.db2.gz MBZUEHRUIXZIMB-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)OCO2 ZINC000826451010 608164310 /nfs/dbraw/zinc/16/43/10/608164310.db2.gz MBZUEHRUIXZIMB-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])sc1C ZINC000826272378 608301149 /nfs/dbraw/zinc/30/11/49/608301149.db2.gz GHJWXQCBWVFULV-UHFFFAOYSA-N -1 3 381.395 2.221 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])sc1C ZINC000826272378 608301151 /nfs/dbraw/zinc/30/11/51/608301151.db2.gz GHJWXQCBWVFULV-UHFFFAOYSA-N -1 3 381.395 2.221 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000826272905 608336521 /nfs/dbraw/zinc/33/65/21/608336521.db2.gz GUQHSZHFECDQMM-GFCCVEGCSA-N -1 3 394.391 2.440 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000826272905 608336523 /nfs/dbraw/zinc/33/65/23/608336523.db2.gz GUQHSZHFECDQMM-GFCCVEGCSA-N -1 3 394.391 2.440 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000826279325 608339708 /nfs/dbraw/zinc/33/97/08/608339708.db2.gz MYQXXBSMJGEKHN-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000826279325 608339710 /nfs/dbraw/zinc/33/97/10/608339710.db2.gz MYQXXBSMJGEKHN-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826169867 608355290 /nfs/dbraw/zinc/35/52/90/608355290.db2.gz IDOPZZKYGJDEQR-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826169867 608355292 /nfs/dbraw/zinc/35/52/92/608355292.db2.gz IDOPZZKYGJDEQR-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Cn1ccnc1 ZINC000824426503 608368728 /nfs/dbraw/zinc/36/87/28/608368728.db2.gz GQEAYGVLEFEDBV-LLVKDONJSA-N -1 3 379.384 2.268 20 5 GEBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)Cn1ccnc1 ZINC000824426503 608368731 /nfs/dbraw/zinc/36/87/31/608368731.db2.gz GQEAYGVLEFEDBV-LLVKDONJSA-N -1 3 379.384 2.268 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000824744844 608433522 /nfs/dbraw/zinc/43/35/22/608433522.db2.gz HEPLNWCAOJNJGH-RYUDHWBXSA-N -1 3 382.380 2.420 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000824744844 608433523 /nfs/dbraw/zinc/43/35/23/608433523.db2.gz HEPLNWCAOJNJGH-RYUDHWBXSA-N -1 3 382.380 2.420 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826425865 608441757 /nfs/dbraw/zinc/44/17/57/608441757.db2.gz XDKQBXMDWVSUMZ-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826425865 608441758 /nfs/dbraw/zinc/44/17/58/608441758.db2.gz XDKQBXMDWVSUMZ-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826174666 608549514 /nfs/dbraw/zinc/54/95/14/608549514.db2.gz FNVFUZXFNNVIPD-LLVKDONJSA-N -1 3 398.379 2.040 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826174666 608549515 /nfs/dbraw/zinc/54/95/15/608549515.db2.gz FNVFUZXFNNVIPD-LLVKDONJSA-N -1 3 398.379 2.040 20 5 GEBDHM Cc1ccc([C@@H](C)NCC(=O)Nc2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826283323 608554032 /nfs/dbraw/zinc/55/40/32/608554032.db2.gz OQKPPSCNQKJLQT-SNVBAGLBSA-N -1 3 387.425 2.434 20 5 GEBDHM COc1cc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)ccc1[N+](=O)[O-] ZINC000826178922 608874294 /nfs/dbraw/zinc/87/42/94/608874294.db2.gz RCJLTLMHFHOXAC-MDWZMJQESA-N -1 3 392.331 2.128 20 5 GEBDHM COc1cc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)ccc1[N+](=O)[O-] ZINC000826178922 608874308 /nfs/dbraw/zinc/87/43/08/608874308.db2.gz RCJLTLMHFHOXAC-MDWZMJQESA-N -1 3 392.331 2.128 20 5 GEBDHM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(N2CCCC2)n1 ZINC000826288803 609313642 /nfs/dbraw/zinc/31/36/42/609313642.db2.gz XLXYHLJIHLELJK-UHFFFAOYSA-N -1 3 381.400 2.086 20 5 GEBDHM Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(N2CCCC2)n1 ZINC000826288803 609313645 /nfs/dbraw/zinc/31/36/45/609313645.db2.gz XLXYHLJIHLELJK-UHFFFAOYSA-N -1 3 381.400 2.086 20 5 GEBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000825319098 609355952 /nfs/dbraw/zinc/35/59/52/609355952.db2.gz XZLCYMUXRTZWMI-UHFFFAOYSA-N -1 3 382.384 2.036 20 5 GEBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000825319098 609355955 /nfs/dbraw/zinc/35/59/55/609355955.db2.gz XZLCYMUXRTZWMI-UHFFFAOYSA-N -1 3 382.384 2.036 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000781641426 609370818 /nfs/dbraw/zinc/37/08/18/609370818.db2.gz RFGCWDZOAHAEBK-UHFFFAOYSA-N -1 3 383.324 2.254 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000781641426 609370820 /nfs/dbraw/zinc/37/08/20/609370820.db2.gz RFGCWDZOAHAEBK-UHFFFAOYSA-N -1 3 383.324 2.254 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826186290 609379673 /nfs/dbraw/zinc/37/96/73/609379673.db2.gz MLAJBTMQAPNGQM-UHFFFAOYSA-N -1 3 398.364 2.041 20 5 GEBDHM Cc1c(Br)c(=O)n(Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826242882 609492501 /nfs/dbraw/zinc/49/25/01/609492501.db2.gz KPWJMRPNFLXFTB-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM Cc1c(Br)c(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826242882 609492503 /nfs/dbraw/zinc/49/25/03/609492503.db2.gz KPWJMRPNFLXFTB-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826499887 609493572 /nfs/dbraw/zinc/49/35/72/609493572.db2.gz CUKIVIYOHRHTPJ-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826499887 609493574 /nfs/dbraw/zinc/49/35/74/609493574.db2.gz CUKIVIYOHRHTPJ-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826500878 609493678 /nfs/dbraw/zinc/49/36/78/609493678.db2.gz PUQXQKJWQCCGDO-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826500878 609493679 /nfs/dbraw/zinc/49/36/79/609493679.db2.gz PUQXQKJWQCCGDO-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000826499226 609539946 /nfs/dbraw/zinc/53/99/46/609539946.db2.gz ABICFUUXABCDNC-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000826499226 609539947 /nfs/dbraw/zinc/53/99/47/609539947.db2.gz ABICFUUXABCDNC-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C1[C@@H](Nc2ccccc2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477527 609575578 /nfs/dbraw/zinc/57/55/78/609575578.db2.gz FWBWRAHHBKJIGM-HNNXBMFYSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@@H](Nc2ccccc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477527 609575579 /nfs/dbraw/zinc/57/55/79/609575579.db2.gz FWBWRAHHBKJIGM-HNNXBMFYSA-N -1 3 379.380 2.382 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccnc2)c(Br)c1 ZINC000446966951 649991325 /nfs/dbraw/zinc/99/13/25/649991325.db2.gz QOEOREQVTWICKU-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cn2)c(Br)c1 ZINC000447016411 649994317 /nfs/dbraw/zinc/99/43/17/649994317.db2.gz JUYKSNQUCPNHGV-UHFFFAOYSA-N -1 3 390.190 2.370 20 5 GEBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119200584 643541267 /nfs/dbraw/zinc/54/12/67/643541267.db2.gz YBEYMHXUZIXFHF-TVQRCGJNSA-N -1 3 395.275 2.433 20 5 GEBDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000123747782 643676813 /nfs/dbraw/zinc/67/68/13/643676813.db2.gz CYSALQVBEJGFSO-JTQLQIEISA-N -1 3 395.275 2.434 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2nccs2)c1 ZINC000173082699 644349726 /nfs/dbraw/zinc/34/97/26/644349726.db2.gz UALJQVZHMWRTKI-UHFFFAOYSA-N -1 3 392.256 2.335 20 5 GEBDHM CC(C)(CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269804548 646061676 /nfs/dbraw/zinc/06/16/76/646061676.db2.gz LMSHRGXIRZPSQK-UHFFFAOYSA-N -1 3 381.248 2.044 20 5 GEBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000416453655 648129525 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O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cccc3c2OCCO3)c(Cl)c1 ZINC000466540805 532429663 /nfs/dbraw/zinc/42/96/63/532429663.db2.gz PVBGWWPEMFFWQS-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000466887040 532436689 /nfs/dbraw/zinc/43/66/89/532436689.db2.gz HQFHBRHELUPQCC-LBPRGKRZSA-N -1 3 381.248 2.307 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)nc1 ZINC000593557434 532486817 /nfs/dbraw/zinc/48/68/17/532486817.db2.gz DLTLDSASSOQCCA-LBPRGKRZSA-N -1 3 382.829 2.200 20 5 GEBDHM CCc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)s1 ZINC000469104103 532491102 /nfs/dbraw/zinc/49/11/02/532491102.db2.gz XYSVMGLBVQZOHL-UHFFFAOYSA-N -1 3 384.435 2.484 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC2(CO)CCC2)c1 ZINC000593664467 532493974 /nfs/dbraw/zinc/49/39/74/532493974.db2.gz OBTWCFFDQKWMEM-UHFFFAOYSA-N -1 3 393.259 2.188 20 5 GEBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000296291965 532511947 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2.351 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298927485 532685054 /nfs/dbraw/zinc/68/50/54/532685054.db2.gz DFTZTCBSMVLYNG-WDEREUQCSA-N -1 3 383.451 2.201 20 5 GEBDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443279008 532744216 /nfs/dbraw/zinc/74/42/16/532744216.db2.gz DZGWXRRFOWBMLS-SNVBAGLBSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c(F)c1 ZINC000269152384 532776023 /nfs/dbraw/zinc/77/60/23/532776023.db2.gz SRLHZJKWFTYARI-YGRLFVJLSA-N -1 3 376.431 2.067 20 5 GEBDHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000549556761 532794903 /nfs/dbraw/zinc/79/49/03/532794903.db2.gz PGKGIWVHBBGNLB-RNCFNFMXSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCC3)c1 ZINC000272402304 532815074 /nfs/dbraw/zinc/81/50/74/532815074.db2.gz BDLUEPXJVGPNRI-SECBINFHSA-N -1 3 385.833 2.134 20 5 GEBDHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330483030 532819020 /nfs/dbraw/zinc/81/90/20/532819020.db2.gz UYXSGAYXZOWPAH-QWHCGFSZSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)cc1C ZINC000274274211 532846774 /nfs/dbraw/zinc/84/67/74/532846774.db2.gz SCLJLXAHBAGLPP-UHFFFAOYSA-N -1 3 382.467 2.035 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000275030649 532861743 /nfs/dbraw/zinc/86/17/43/532861743.db2.gz ADHGZCIESFOHNT-QWRGUYRKSA-N -1 3 376.406 2.226 20 5 GEBDHM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416444266 532877377 /nfs/dbraw/zinc/87/73/77/532877377.db2.gz XTFFAWFSZHBZRP-GMSGAONNSA-N -1 3 388.389 2.004 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000276291226 532892554 /nfs/dbraw/zinc/89/25/54/532892554.db2.gz ZTJLRUZYFPXIIJ-JTQLQIEISA-N -1 3 384.435 2.352 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCOCC1 ZINC000292439692 532916478 /nfs/dbraw/zinc/91/64/78/532916478.db2.gz WXEZEAVIGHLMAN-UHFFFAOYSA-N -1 3 392.861 2.278 20 5 GEBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000736037351 598889016 /nfs/dbraw/zinc/88/90/16/598889016.db2.gz KMJVOFAKZQLIOM-GFCCVEGCSA-N -1 3 399.363 2.164 20 5 GEBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000736037351 598889018 /nfs/dbraw/zinc/88/90/18/598889018.db2.gz KMJVOFAKZQLIOM-GFCCVEGCSA-N -1 3 399.363 2.164 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736897310 598892968 /nfs/dbraw/zinc/89/29/68/598892968.db2.gz FLCPGCLKGPWLDR-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736897310 598892969 /nfs/dbraw/zinc/89/29/69/598892969.db2.gz FLCPGCLKGPWLDR-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM CCOC(=O)c1cnn(-c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C(F)F ZINC000736603441 598895935 /nfs/dbraw/zinc/89/59/35/598895935.db2.gz WFTXMAAAKQIRKE-UHFFFAOYSA-N -1 3 379.283 2.075 20 5 GEBDHM CCOC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C(F)F ZINC000736603441 598895936 /nfs/dbraw/zinc/89/59/36/598895936.db2.gz WFTXMAAAKQIRKE-UHFFFAOYSA-N -1 3 379.283 2.075 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737031584 598937374 /nfs/dbraw/zinc/93/73/74/598937374.db2.gz APAVAGCPRZUWMK-UHFFFAOYSA-N -1 3 387.352 2.250 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737031584 598937376 /nfs/dbraw/zinc/93/73/76/598937376.db2.gz APAVAGCPRZUWMK-UHFFFAOYSA-N -1 3 387.352 2.250 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC000737364674 598996762 /nfs/dbraw/zinc/99/67/62/598996762.db2.gz BOZCGFQLOSBMIG-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC000737364674 598996763 /nfs/dbraw/zinc/99/67/63/598996763.db2.gz BOZCGFQLOSBMIG-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC000736290162 599039028 /nfs/dbraw/zinc/03/90/28/599039028.db2.gz PDNRZPJTDMKCKW-JTQLQIEISA-N -1 3 386.393 2.087 20 5 GEBDHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC000736290162 599039030 /nfs/dbraw/zinc/03/90/30/599039030.db2.gz PDNRZPJTDMKCKW-JTQLQIEISA-N -1 3 386.393 2.087 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738368646 599044788 /nfs/dbraw/zinc/04/47/88/599044788.db2.gz HBFDWHARLBDNSV-LLVKDONJSA-N -1 3 379.739 2.108 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738368646 599044791 /nfs/dbraw/zinc/04/47/91/599044791.db2.gz HBFDWHARLBDNSV-LLVKDONJSA-N -1 3 379.739 2.108 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736691576 599085235 /nfs/dbraw/zinc/08/52/35/599085235.db2.gz PRABVRQAJGMTGR-UHFFFAOYSA-N -1 3 375.366 2.105 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736691576 599085237 /nfs/dbraw/zinc/08/52/37/599085237.db2.gz PRABVRQAJGMTGR-UHFFFAOYSA-N -1 3 375.366 2.105 20 5 GEBDHM CCc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000821486398 599098091 /nfs/dbraw/zinc/09/80/91/599098091.db2.gz FOPIYXLRGHGOOH-UHFFFAOYSA-N -1 3 380.412 2.059 20 5 GEBDHM CCc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000821486398 599098093 /nfs/dbraw/zinc/09/80/93/599098093.db2.gz FOPIYXLRGHGOOH-UHFFFAOYSA-N -1 3 380.412 2.059 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737052437 599164266 /nfs/dbraw/zinc/16/42/66/599164266.db2.gz SVUHZBPRLYBUQA-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737052437 599164268 /nfs/dbraw/zinc/16/42/68/599164268.db2.gz SVUHZBPRLYBUQA-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367945 599256093 /nfs/dbraw/zinc/25/60/93/599256093.db2.gz XKNAJXQBTZHFCY-MRXNPFEDSA-N -1 3 377.364 2.469 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738367945 599256095 /nfs/dbraw/zinc/25/60/95/599256095.db2.gz XKNAJXQBTZHFCY-MRXNPFEDSA-N -1 3 377.364 2.469 20 5 GEBDHM Cc1c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822096064 607284775 /nfs/dbraw/zinc/28/47/75/607284775.db2.gz JOVHPEMUVRMEIG-UHFFFAOYSA-N -1 3 383.368 2.284 20 5 GEBDHM Cc1c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822096064 607284776 /nfs/dbraw/zinc/28/47/76/607284776.db2.gz JOVHPEMUVRMEIG-UHFFFAOYSA-N -1 3 383.368 2.284 20 5 GEBDHM CC(C)(NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000819987778 607302210 /nfs/dbraw/zinc/30/22/10/607302210.db2.gz LJBHCIRZZFJLMM-UHFFFAOYSA-N -1 3 387.787 2.488 20 5 GEBDHM CC(C)(NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000819987778 607302211 /nfs/dbraw/zinc/30/22/11/607302211.db2.gz LJBHCIRZZFJLMM-UHFFFAOYSA-N -1 3 387.787 2.488 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000738368211 598261725 /nfs/dbraw/zinc/26/17/25/598261725.db2.gz AQLWGDJSCNVWDA-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000738368211 598261727 /nfs/dbraw/zinc/26/17/27/598261727.db2.gz AQLWGDJSCNVWDA-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM COc1cc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737042126 598289515 /nfs/dbraw/zinc/28/95/15/598289515.db2.gz OAPGSQZSJJOWCZ-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COc1cc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737042126 598289517 /nfs/dbraw/zinc/28/95/17/598289517.db2.gz OAPGSQZSJJOWCZ-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COc1cc(CNCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])cc1OC ZINC000737045819 598314375 /nfs/dbraw/zinc/31/43/75/598314375.db2.gz OJVFSGIQJQWATQ-UHFFFAOYSA-N -1 3 388.359 2.221 20 5 GEBDHM COc1cc(CNCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])cc1OC ZINC000737045819 598314376 /nfs/dbraw/zinc/31/43/76/598314376.db2.gz OJVFSGIQJQWATQ-UHFFFAOYSA-N -1 3 388.359 2.221 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738359665 598370382 /nfs/dbraw/zinc/37/03/82/598370382.db2.gz LLPBFJVIVXHQDW-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738359665 598370383 /nfs/dbraw/zinc/37/03/83/598370383.db2.gz LLPBFJVIVXHQDW-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2ncn(CCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000738358972 598379343 /nfs/dbraw/zinc/37/93/43/598379343.db2.gz HDDMBDWJKUDQES-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2ncn(CCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000738358972 598379344 /nfs/dbraw/zinc/37/93/44/598379344.db2.gz HDDMBDWJKUDQES-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000737222203 598395421 /nfs/dbraw/zinc/39/54/21/598395421.db2.gz UZINHDGHLKJJTE-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM CC[C@@H](C)NC(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736328635 598498533 /nfs/dbraw/zinc/49/85/33/598498533.db2.gz XMKPRYNDAKUSIC-SNVBAGLBSA-N -1 3 382.384 2.442 20 5 GEBDHM CC[C@@H](C)NC(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736328635 598498535 /nfs/dbraw/zinc/49/85/35/598498535.db2.gz XMKPRYNDAKUSIC-SNVBAGLBSA-N -1 3 382.384 2.442 20 5 GEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc2c(c1)CC(=O)N2C ZINC000736137546 598612632 /nfs/dbraw/zinc/61/26/32/598612632.db2.gz KRPMZEXJHMTVAI-JTQLQIEISA-N -1 3 379.380 2.467 20 5 GEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2C ZINC000736137546 598612633 /nfs/dbraw/zinc/61/26/33/598612633.db2.gz KRPMZEXJHMTVAI-JTQLQIEISA-N -1 3 379.380 2.467 20 5 GEBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736173412 598657606 /nfs/dbraw/zinc/65/76/06/598657606.db2.gz HBXOQDXQFVMEQR-MRVPVSSYSA-N -1 3 389.759 2.229 20 5 GEBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736173412 598657608 /nfs/dbraw/zinc/65/76/08/598657608.db2.gz HBXOQDXQFVMEQR-MRVPVSSYSA-N -1 3 389.759 2.229 20 5 GEBDHM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736786745 598799334 /nfs/dbraw/zinc/79/93/34/598799334.db2.gz CYJAFAUFIAYTPE-UHFFFAOYSA-N -1 3 389.322 2.128 20 5 GEBDHM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736786745 598799335 /nfs/dbraw/zinc/79/93/35/598799335.db2.gz CYJAFAUFIAYTPE-UHFFFAOYSA-N -1 3 389.322 2.128 20 5 GEBDHM Cn1cc([C@@H]2CCN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C2)cn1 ZINC000737602108 599297275 /nfs/dbraw/zinc/29/72/75/599297275.db2.gz DVDUDRHQXSAMKA-LLVKDONJSA-N -1 3 391.395 2.051 20 5 GEBDHM Cn1cc([C@@H]2CCN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)C2)cn1 ZINC000737602108 599297276 /nfs/dbraw/zinc/29/72/76/599297276.db2.gz DVDUDRHQXSAMKA-LLVKDONJSA-N -1 3 391.395 2.051 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822212015 599323908 /nfs/dbraw/zinc/32/39/08/599323908.db2.gz YUEKZHZSWOOWBY-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822212015 599323911 /nfs/dbraw/zinc/32/39/11/599323911.db2.gz YUEKZHZSWOOWBY-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822130254 599325896 /nfs/dbraw/zinc/32/58/96/599325896.db2.gz RVIWWNHCQMJKEZ-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822130254 599325899 /nfs/dbraw/zinc/32/58/99/599325899.db2.gz RVIWWNHCQMJKEZ-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822270842 599326083 /nfs/dbraw/zinc/32/60/83/599326083.db2.gz ADQHHNBQXSNLGZ-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822270842 599326084 /nfs/dbraw/zinc/32/60/84/599326084.db2.gz ADQHHNBQXSNLGZ-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826415590 607370916 /nfs/dbraw/zinc/37/09/16/607370916.db2.gz KZVHJCNTZNJBAK-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826415590 607370917 /nfs/dbraw/zinc/37/09/17/607370917.db2.gz KZVHJCNTZNJBAK-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(C3)CCOCC4)cc(-c3nnn[n-]3)c2c1 ZINC000823645926 599359053 /nfs/dbraw/zinc/35/90/53/599359053.db2.gz WNAVZNMLWLGUPG-UHFFFAOYSA-N -1 3 381.396 2.330 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(C3)CCOCC4)cc(-c3nn[n-]n3)c2c1 ZINC000823645926 599359054 /nfs/dbraw/zinc/35/90/54/599359054.db2.gz WNAVZNMLWLGUPG-UHFFFAOYSA-N -1 3 381.396 2.330 20 5 GEBDHM CC(=O)N(Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C1CC1 ZINC000735460587 599442197 /nfs/dbraw/zinc/44/21/97/599442197.db2.gz KDJVKDKAHJQOKA-UHFFFAOYSA-N -1 3 394.395 2.424 20 5 GEBDHM CC(=O)N(Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)C1CC1 ZINC000735460587 599442200 /nfs/dbraw/zinc/44/22/00/599442200.db2.gz KDJVKDKAHJQOKA-UHFFFAOYSA-N -1 3 394.395 2.424 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)cc1OC(F)F ZINC000823639454 599472406 /nfs/dbraw/zinc/47/24/06/599472406.db2.gz AOFYQPRKUUOWKY-UHFFFAOYSA-N -1 3 392.326 2.295 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)cc1OC(F)F ZINC000823639454 599472408 /nfs/dbraw/zinc/47/24/08/599472408.db2.gz AOFYQPRKUUOWKY-UHFFFAOYSA-N -1 3 392.326 2.295 20 5 GEBDHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1[N+](=O)[O-] ZINC000821821740 599488367 /nfs/dbraw/zinc/48/83/67/599488367.db2.gz UPAJLMSUJYFMGZ-UHFFFAOYSA-N -1 3 377.364 2.366 20 5 GEBDHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1[N+](=O)[O-] ZINC000821821740 599488370 /nfs/dbraw/zinc/48/83/70/599488370.db2.gz UPAJLMSUJYFMGZ-UHFFFAOYSA-N -1 3 377.364 2.366 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(c4cc[nH]n4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643741 599513342 /nfs/dbraw/zinc/51/33/42/599513342.db2.gz AGMNAYIULKFNDP-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(c4cc[nH]n4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643741 599513344 /nfs/dbraw/zinc/51/33/44/599513344.db2.gz AGMNAYIULKFNDP-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM Cn1cc(CCCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822679917 599519916 /nfs/dbraw/zinc/51/99/16/599519916.db2.gz KFGJUXXDGCMDOQ-UHFFFAOYSA-N -1 3 379.384 2.101 20 5 GEBDHM Cn1cc(CCCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822679917 599519918 /nfs/dbraw/zinc/51/99/18/599519918.db2.gz KFGJUXXDGCMDOQ-UHFFFAOYSA-N -1 3 379.384 2.101 20 5 GEBDHM C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820403800 599526202 /nfs/dbraw/zinc/52/62/02/599526202.db2.gz MUECTFGKDOMAFS-SECBINFHSA-N -1 3 378.352 2.142 20 5 GEBDHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000738269646 599534541 /nfs/dbraw/zinc/53/45/41/599534541.db2.gz WGFWSFHIPHQVHN-LBPRGKRZSA-N -1 3 397.370 2.408 20 5 GEBDHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000738269646 599534546 /nfs/dbraw/zinc/53/45/46/599534546.db2.gz WGFWSFHIPHQVHN-LBPRGKRZSA-N -1 3 397.370 2.408 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826251194 607382763 /nfs/dbraw/zinc/38/27/63/607382763.db2.gz IHHLIQPVMPOXBW-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826251194 607382766 /nfs/dbraw/zinc/38/27/66/607382766.db2.gz IHHLIQPVMPOXBW-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1nccn1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822477958 599577476 /nfs/dbraw/zinc/57/74/76/599577476.db2.gz NPSBWESTLYMJLV-UHFFFAOYSA-N -1 3 379.384 2.330 20 5 GEBDHM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000740098673 599706990 /nfs/dbraw/zinc/70/69/90/599706990.db2.gz XKKHBZJQFPBUGE-ZDUSSCGKSA-N -1 3 394.384 2.257 20 5 GEBDHM CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737346844 599708695 /nfs/dbraw/zinc/70/86/95/599708695.db2.gz DHGYJBFCRUZGNF-GQSKFBFOSA-N -1 3 390.440 2.047 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000821741546 607416960 /nfs/dbraw/zinc/41/69/60/607416960.db2.gz OFFBTFJJWRJZEO-UHFFFAOYSA-N -1 3 399.363 2.078 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000821741546 607416961 /nfs/dbraw/zinc/41/69/61/607416961.db2.gz OFFBTFJJWRJZEO-UHFFFAOYSA-N -1 3 399.363 2.078 20 5 GEBDHM CC(C)c1n[nH]c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1[N+](=O)[O-] ZINC000824342227 607419215 /nfs/dbraw/zinc/41/92/15/607419215.db2.gz NNBROCJMGCHDTK-UHFFFAOYSA-N -1 3 382.384 2.041 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1Cc2ccccc2O1 ZINC000826450780 607523513 /nfs/dbraw/zinc/52/35/13/607523513.db2.gz DCBVINQPIOHRMN-ZDUSSCGKSA-N -1 3 386.755 2.371 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1Cc2ccccc2O1 ZINC000826450780 607523514 /nfs/dbraw/zinc/52/35/14/607523514.db2.gz DCBVINQPIOHRMN-ZDUSSCGKSA-N -1 3 386.755 2.371 20 5 GEBDHM O=C([O-])[C@]1(NC(=O)c2ccccc2[N+](=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833128453 601741632 /nfs/dbraw/zinc/74/16/32/601741632.db2.gz GSAGPTXUUKQYGO-FQEVSTJZSA-N -1 3 383.404 2.444 20 5 GEBDHM COc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826201158 607583407 /nfs/dbraw/zinc/58/34/07/607583407.db2.gz BTKRPDUPYLTPRH-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826201158 607583408 /nfs/dbraw/zinc/58/34/08/607583408.db2.gz BTKRPDUPYLTPRH-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1-c1nnn[n-]1 ZINC000826200765 607584899 /nfs/dbraw/zinc/58/48/99/607584899.db2.gz HWBIEUHNYLICJR-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1-c1nn[n-]n1 ZINC000826200765 607584900 /nfs/dbraw/zinc/58/49/00/607584900.db2.gz HWBIEUHNYLICJR-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825717183 607616724 /nfs/dbraw/zinc/61/67/24/607616724.db2.gz ILUYZMARTPVSLD-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826413127 607630166 /nfs/dbraw/zinc/63/01/66/607630166.db2.gz SDQADJGHWITGNF-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826499470 607742901 /nfs/dbraw/zinc/74/29/01/607742901.db2.gz JXKZKYXLHPWPIK-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826499470 607742902 /nfs/dbraw/zinc/74/29/02/607742902.db2.gz JXKZKYXLHPWPIK-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640260 606301100 /nfs/dbraw/zinc/30/11/00/606301100.db2.gz DWCAGIWHOOVRSI-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640260 606301102 /nfs/dbraw/zinc/30/11/02/606301102.db2.gz DWCAGIWHOOVRSI-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000821666731 606351662 /nfs/dbraw/zinc/35/16/62/606351662.db2.gz BMCYQCVJFPTILJ-JTQLQIEISA-N -1 3 397.347 2.480 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000821666731 606351663 /nfs/dbraw/zinc/35/16/63/606351663.db2.gz BMCYQCVJFPTILJ-JTQLQIEISA-N -1 3 397.347 2.480 20 5 GEBDHM NC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000822874228 606429528 /nfs/dbraw/zinc/42/95/28/606429528.db2.gz VNJPNXWUKWKRTP-CYBMUJFWSA-N -1 3 387.787 2.457 20 5 GEBDHM NC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000822874228 606429530 /nfs/dbraw/zinc/42/95/30/606429530.db2.gz VNJPNXWUKWKRTP-CYBMUJFWSA-N -1 3 387.787 2.457 20 5 GEBDHM Cn1c(CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2ccccc21 ZINC000822596168 606433053 /nfs/dbraw/zinc/43/30/53/606433053.db2.gz IAZOVOFXOUETEK-UHFFFAOYSA-N -1 3 379.384 2.101 20 5 GEBDHM Cn1c(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2ccccc21 ZINC000822596168 606433055 /nfs/dbraw/zinc/43/30/55/606433055.db2.gz IAZOVOFXOUETEK-UHFFFAOYSA-N -1 3 379.384 2.101 20 5 GEBDHM CC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820914312 606588304 /nfs/dbraw/zinc/58/83/04/606588304.db2.gz OIBYAMBIIHEEKU-HNNXBMFYSA-N -1 3 382.380 2.421 20 5 GEBDHM CC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820914312 606588305 /nfs/dbraw/zinc/58/83/05/606588305.db2.gz OIBYAMBIIHEEKU-HNNXBMFYSA-N -1 3 382.380 2.421 20 5 GEBDHM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)cn2)CCO1 ZINC000820776965 606644668 /nfs/dbraw/zinc/64/46/68/606644668.db2.gz OJCPYGFTVYLWET-GFCCVEGCSA-N -1 3 396.411 2.007 20 5 GEBDHM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)cn2)CCO1 ZINC000820776965 606644669 /nfs/dbraw/zinc/64/46/69/606644669.db2.gz OJCPYGFTVYLWET-GFCCVEGCSA-N -1 3 396.411 2.007 20 5 GEBDHM O=[N+]([O-])c1cc(NC[C@H](c2ccccc2)N2CCOCC2)ccc1-c1nnn[n-]1 ZINC000823634233 606645262 /nfs/dbraw/zinc/64/52/62/606645262.db2.gz FCSVGLWWAUJGKQ-GOSISDBHSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cc(NC[C@H](c2ccccc2)N2CCOCC2)ccc1-c1nn[n-]n1 ZINC000823634233 606645263 /nfs/dbraw/zinc/64/52/63/606645263.db2.gz FCSVGLWWAUJGKQ-GOSISDBHSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cc(NCc2cccc(CN3CCOCC3)c2)ccc1-c1nnn[n-]1 ZINC000823634523 606646238 /nfs/dbraw/zinc/64/62/38/606646238.db2.gz JKPUXGLMLJLKJY-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM O=[N+]([O-])c1cc(NCc2cccc(CN3CCOCC3)c2)ccc1-c1nn[n-]n1 ZINC000823634523 606646239 /nfs/dbraw/zinc/64/62/39/606646239.db2.gz JKPUXGLMLJLKJY-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM COCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688271 606682765 /nfs/dbraw/zinc/68/27/65/606682765.db2.gz DYXAQNNHORYPRY-UHFFFAOYSA-N -1 3 396.407 2.387 20 5 GEBDHM COCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688271 606682766 /nfs/dbraw/zinc/68/27/66/606682766.db2.gz DYXAQNNHORYPRY-UHFFFAOYSA-N -1 3 396.407 2.387 20 5 GEBDHM Cc1nc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000822449521 606698118 /nfs/dbraw/zinc/69/81/18/606698118.db2.gz CEQXNKNYBIBFPR-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM Cc1nc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000822449521 606698120 /nfs/dbraw/zinc/69/81/20/606698120.db2.gz CEQXNKNYBIBFPR-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM O=C(COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000823022789 606757687 /nfs/dbraw/zinc/75/76/87/606757687.db2.gz OUTQMZDPLAZBMT-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=C(COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000823022789 606757690 /nfs/dbraw/zinc/75/76/90/606757690.db2.gz OUTQMZDPLAZBMT-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000821898559 606809229 /nfs/dbraw/zinc/80/92/29/606809229.db2.gz QDAYSXUXBCQULU-ZDUSSCGKSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000821898559 606809230 /nfs/dbraw/zinc/80/92/30/606809230.db2.gz QDAYSXUXBCQULU-ZDUSSCGKSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821699353 606809794 /nfs/dbraw/zinc/80/97/94/606809794.db2.gz NEEXSYVWENKWDW-UHFFFAOYSA-N -1 3 376.716 2.051 20 5 GEBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821699353 606809795 /nfs/dbraw/zinc/80/97/95/606809795.db2.gz NEEXSYVWENKWDW-UHFFFAOYSA-N -1 3 376.716 2.051 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000820549964 606823202 /nfs/dbraw/zinc/82/32/02/606823202.db2.gz UCSAKTVTFDNOCK-LBPRGKRZSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000820549964 606823203 /nfs/dbraw/zinc/82/32/03/606823203.db2.gz UCSAKTVTFDNOCK-LBPRGKRZSA-N -1 3 383.364 2.328 20 5 GEBDHM O=[N+]([O-])c1nn(CCCOc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000823652285 606867923 /nfs/dbraw/zinc/86/79/23/606867923.db2.gz YSZMQZQNVXORBB-UHFFFAOYSA-N -1 3 394.189 2.203 20 5 GEBDHM O=[N+]([O-])c1nn(CCCOc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000823652285 606867926 /nfs/dbraw/zinc/86/79/26/606867926.db2.gz YSZMQZQNVXORBB-UHFFFAOYSA-N -1 3 394.189 2.203 20 5 GEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822238409 606947856 /nfs/dbraw/zinc/94/78/56/606947856.db2.gz GQNYUGOAMLCFHC-AWEZNQCLSA-N -1 3 397.395 2.258 20 5 GEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822238409 606947858 /nfs/dbraw/zinc/94/78/58/606947858.db2.gz GQNYUGOAMLCFHC-AWEZNQCLSA-N -1 3 397.395 2.258 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@]4(O)CCCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644615 607032722 /nfs/dbraw/zinc/03/27/22/607032722.db2.gz JMCGWXJZIYFAHL-CWTRNNRKSA-N -1 3 395.423 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@]4(O)CCCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644615 607032724 /nfs/dbraw/zinc/03/27/24/607032724.db2.gz JMCGWXJZIYFAHL-CWTRNNRKSA-N -1 3 395.423 2.455 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822458562 607040003 /nfs/dbraw/zinc/04/00/03/607040003.db2.gz DRDYDNADDQWEET-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822458562 607040004 /nfs/dbraw/zinc/04/00/04/607040004.db2.gz DRDYDNADDQWEET-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077987 607133902 /nfs/dbraw/zinc/13/39/02/607133902.db2.gz CYZMGMMHTODJOD-CABCVRRESA-N -1 3 397.395 2.241 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077987 607133904 /nfs/dbraw/zinc/13/39/04/607133904.db2.gz CYZMGMMHTODJOD-CABCVRRESA-N -1 3 397.395 2.241 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823392760 607134262 /nfs/dbraw/zinc/13/42/62/607134262.db2.gz TXQZFAXKZUMNKE-ZIAGYGMSSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823392760 607134264 /nfs/dbraw/zinc/13/42/64/607134264.db2.gz TXQZFAXKZUMNKE-ZIAGYGMSSA-N -1 3 383.368 2.312 20 5 GEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000823620508 607161198 /nfs/dbraw/zinc/16/11/98/607161198.db2.gz MJGORNWMDBGJMT-DAXSKMNVSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000823620508 607161200 /nfs/dbraw/zinc/16/12/00/607161200.db2.gz MJGORNWMDBGJMT-DAXSKMNVSA-N -1 3 392.423 2.005 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821846711 607164868 /nfs/dbraw/zinc/16/48/68/607164868.db2.gz YEJNEDOZCQVUEN-UHFFFAOYSA-N -1 3 394.351 2.446 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821846711 607164869 /nfs/dbraw/zinc/16/48/69/607164869.db2.gz YEJNEDOZCQVUEN-UHFFFAOYSA-N -1 3 394.351 2.446 20 5 GEBDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824391835 607811004 /nfs/dbraw/zinc/81/10/04/607811004.db2.gz LCAAXGKHUHVQIE-NSHDSACASA-N -1 3 383.368 2.104 20 5 GEBDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824391835 607811005 /nfs/dbraw/zinc/81/10/05/607811005.db2.gz LCAAXGKHUHVQIE-NSHDSACASA-N -1 3 383.368 2.104 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826292152 607866706 /nfs/dbraw/zinc/86/67/06/607866706.db2.gz KHDHFALWDCEHIR-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826292152 607866707 /nfs/dbraw/zinc/86/67/07/607866707.db2.gz KHDHFALWDCEHIR-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc(C)c(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826263466 607872690 /nfs/dbraw/zinc/87/26/90/607872690.db2.gz CGZJWENUQKGQIH-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000131993668 607970221 /nfs/dbraw/zinc/97/02/21/607970221.db2.gz QXPMHQNZOWLUGW-UHFFFAOYSA-N -1 3 377.364 2.115 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000131993668 607970222 /nfs/dbraw/zinc/97/02/22/607970222.db2.gz QXPMHQNZOWLUGW-UHFFFAOYSA-N -1 3 377.364 2.115 20 5 GEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000825971540 607970541 /nfs/dbraw/zinc/97/05/41/607970541.db2.gz KSJJEEMXDHABGD-UHFFFAOYSA-N -1 3 391.391 2.457 20 5 GEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000825971540 607970542 /nfs/dbraw/zinc/97/05/42/607970542.db2.gz KSJJEEMXDHABGD-UHFFFAOYSA-N -1 3 391.391 2.457 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826421040 608003498 /nfs/dbraw/zinc/00/34/98/608003498.db2.gz ONFXOSOHQOSSPI-UHFFFAOYSA-N -1 3 396.392 2.382 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826421040 608003499 /nfs/dbraw/zinc/00/34/99/608003499.db2.gz ONFXOSOHQOSSPI-UHFFFAOYSA-N -1 3 396.392 2.382 20 5 GEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826358411 608029283 /nfs/dbraw/zinc/02/92/83/608029283.db2.gz SHCFFFAJFOOZCL-UHFFFAOYSA-N -1 3 395.335 2.125 20 5 GEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826358411 608029284 /nfs/dbraw/zinc/02/92/84/608029284.db2.gz SHCFFFAJFOOZCL-UHFFFAOYSA-N -1 3 395.335 2.125 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826258359 608082018 /nfs/dbraw/zinc/08/20/18/608082018.db2.gz IRZNIEMWOSUIKB-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826258359 608082019 /nfs/dbraw/zinc/08/20/19/608082019.db2.gz IRZNIEMWOSUIKB-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccnc(C2CC2)n1 ZINC000826450787 608162101 /nfs/dbraw/zinc/16/21/01/608162101.db2.gz DHJFESFMYVTXJH-UHFFFAOYSA-N -1 3 386.759 2.348 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccnc(C2CC2)n1 ZINC000826450787 608162102 /nfs/dbraw/zinc/16/21/02/608162102.db2.gz DHJFESFMYVTXJH-UHFFFAOYSA-N -1 3 386.759 2.348 20 5 GEBDHM Cn1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C(F)F)n1 ZINC000826358707 608163389 /nfs/dbraw/zinc/16/33/89/608163389.db2.gz FDKLIRNWKNUDSC-UHFFFAOYSA-N -1 3 398.717 2.352 20 5 GEBDHM Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C(F)F)n1 ZINC000826358707 608163390 /nfs/dbraw/zinc/16/33/90/608163390.db2.gz FDKLIRNWKNUDSC-UHFFFAOYSA-N -1 3 398.717 2.352 20 5 GEBDHM O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826409645 608173515 /nfs/dbraw/zinc/17/35/15/608173515.db2.gz IVGZEUCYAICDJW-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826409645 608173516 /nfs/dbraw/zinc/17/35/16/608173516.db2.gz IVGZEUCYAICDJW-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189688 608239052 /nfs/dbraw/zinc/23/90/52/608239052.db2.gz BMUPLTSJLOYADZ-BMIGLBTASA-N -1 3 385.384 2.367 20 5 GEBDHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189688 608239053 /nfs/dbraw/zinc/23/90/53/608239053.db2.gz BMUPLTSJLOYADZ-BMIGLBTASA-N -1 3 385.384 2.367 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)cc([N+](=O)[O-])c1F ZINC000826255150 608246955 /nfs/dbraw/zinc/24/69/55/608246955.db2.gz NOWFOMMUZPJQSZ-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)cc([N+](=O)[O-])c1F ZINC000826255150 608246956 /nfs/dbraw/zinc/24/69/56/608246956.db2.gz NOWFOMMUZPJQSZ-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826293086 608328959 /nfs/dbraw/zinc/32/89/59/608328959.db2.gz AEBDWEKXDYQABH-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826293086 608328961 /nfs/dbraw/zinc/32/89/61/608328961.db2.gz AEBDWEKXDYQABH-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000826172332 608350966 /nfs/dbraw/zinc/35/09/66/608350966.db2.gz ZZCDQXOLQOORHF-UHFFFAOYSA-N -1 3 384.352 2.031 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000826172332 608350967 /nfs/dbraw/zinc/35/09/67/608350967.db2.gz ZZCDQXOLQOORHF-UHFFFAOYSA-N -1 3 384.352 2.031 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)Nc1sccc1-c1nnn[n-]1)CC2 ZINC000826272807 608385033 /nfs/dbraw/zinc/38/50/33/608385033.db2.gz BXUHTLPYYNOGCP-UHFFFAOYSA-N -1 3 385.409 2.146 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)Nc1sccc1-c1nn[n-]n1)CC2 ZINC000826272807 608385035 /nfs/dbraw/zinc/38/50/35/608385035.db2.gz BXUHTLPYYNOGCP-UHFFFAOYSA-N -1 3 385.409 2.146 20 5 GEBDHM C[C@H](N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553842 608392082 /nfs/dbraw/zinc/39/20/82/608392082.db2.gz IUYMPYOZBFQMEQ-GXFFZTMASA-N -1 3 399.436 2.293 20 5 GEBDHM C[C@H](N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553842 608392084 /nfs/dbraw/zinc/39/20/84/608392084.db2.gz IUYMPYOZBFQMEQ-GXFFZTMASA-N -1 3 399.436 2.293 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825879684 608439601 /nfs/dbraw/zinc/43/96/01/608439601.db2.gz NYOOKWCYOZHCSH-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000825879684 608439603 /nfs/dbraw/zinc/43/96/03/608439603.db2.gz NYOOKWCYOZHCSH-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826499883 608517308 /nfs/dbraw/zinc/51/73/08/608517308.db2.gz CKLWPXNLKQJPCL-HYXAFXHYSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826499883 608517310 /nfs/dbraw/zinc/51/73/10/608517310.db2.gz CKLWPXNLKQJPCL-HYXAFXHYSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826499882 608517578 /nfs/dbraw/zinc/51/75/78/608517578.db2.gz CKLWPXNLKQJPCL-HWKANZROSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826499882 608517580 /nfs/dbraw/zinc/51/75/80/608517580.db2.gz CKLWPXNLKQJPCL-HWKANZROSA-N -1 3 392.423 2.005 20 5 GEBDHM COc1cc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1OC ZINC000826178731 608526924 /nfs/dbraw/zinc/52/69/24/608526924.db2.gz JUIFTBFIZQFKPA-UHFFFAOYSA-N -1 3 384.396 2.424 20 5 GEBDHM COc1cc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000826178731 608526925 /nfs/dbraw/zinc/52/69/25/608526925.db2.gz JUIFTBFIZQFKPA-UHFFFAOYSA-N -1 3 384.396 2.424 20 5 GEBDHM CC(C)n1cnnc1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824377957 608666686 /nfs/dbraw/zinc/66/66/86/608666686.db2.gz UNRFFIAYNBWFIW-UHFFFAOYSA-N -1 3 383.416 2.331 20 5 GEBDHM CC(C)n1cnnc1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824377957 608666689 /nfs/dbraw/zinc/66/66/89/608666689.db2.gz UNRFFIAYNBWFIW-UHFFFAOYSA-N -1 3 383.416 2.331 20 5 GEBDHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000826458488 609292007 /nfs/dbraw/zinc/29/20/07/609292007.db2.gz RPKHVCXUBOMFLY-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM Cc1cc(=O)n(Cc2ccc(-c3nnn[n-]3)cc2Br)cc1[N+](=O)[O-] ZINC000826256685 609311707 /nfs/dbraw/zinc/31/17/07/609311707.db2.gz WAZZZDGAORGSCY-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM Cc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2Br)cc1[N+](=O)[O-] ZINC000826256685 609311708 /nfs/dbraw/zinc/31/17/08/609311708.db2.gz WAZZZDGAORGSCY-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM C[C@H](CCNC(=O)OC(C)(C)C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824400381 609320194 /nfs/dbraw/zinc/32/01/94/609320194.db2.gz GSWZMVJYMGONMD-SNVBAGLBSA-N -1 3 377.405 2.490 20 5 GEBDHM C[C@H](CCNC(=O)OC(C)(C)C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824400381 609320196 /nfs/dbraw/zinc/32/01/96/609320196.db2.gz GSWZMVJYMGONMD-SNVBAGLBSA-N -1 3 377.405 2.490 20 5 GEBDHM CN(C[C@H]1CCCC[C@@H]1O)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908538 609325458 /nfs/dbraw/zinc/32/54/58/609325458.db2.gz JCOMVXQJEABVRA-BZNIZROVSA-N -1 3 383.412 2.310 20 5 GEBDHM CN(C[C@H]1CCCC[C@@H]1O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908538 609325459 /nfs/dbraw/zinc/32/54/59/609325459.db2.gz JCOMVXQJEABVRA-BZNIZROVSA-N -1 3 383.412 2.310 20 5 GEBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499626 609533099 /nfs/dbraw/zinc/53/30/99/609533099.db2.gz QDGDTZIZQKVZOG-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499626 609533102 /nfs/dbraw/zinc/53/31/02/609533102.db2.gz QDGDTZIZQKVZOG-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cscn2)c(Br)c1 ZINC000447013784 649994260 /nfs/dbraw/zinc/99/42/60/649994260.db2.gz RCZPJJLIIDSBJE-UHFFFAOYSA-N -1 3 392.256 2.335 20 5 GEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000447028259 649994742 /nfs/dbraw/zinc/99/47/42/649994742.db2.gz NMGMQUJQPVWGSB-RYUDHWBXSA-N -1 3 393.259 2.449 20 5 GEBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524836284 650647005 /nfs/dbraw/zinc/64/70/05/650647005.db2.gz OEQBREYAXSZBSK-UHFFFAOYSA-N -1 3 384.391 2.083 20 5 GEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000482233907 650663055 /nfs/dbraw/zinc/66/30/55/650663055.db2.gz ZTLVBYHHHPSNPX-UHFFFAOYSA-N -1 3 394.107 2.424 20 5 GEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000483303443 650676517 /nfs/dbraw/zinc/67/65/17/650676517.db2.gz GAJNSMZLOPOGRI-UHFFFAOYSA-N -1 3 378.698 2.385 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)c(Cl)c1 ZINC000056090540 642791059 /nfs/dbraw/zinc/79/10/59/642791059.db2.gz AZRBPJOIMRKBFV-UHFFFAOYSA-N -1 3 376.818 2.212 20 5 GEBDHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)N(C)C)c1 ZINC000064243003 642871431 /nfs/dbraw/zinc/87/14/31/642871431.db2.gz VMDBGAWXAMJMOT-ZDUSSCGKSA-N -1 3 385.467 2.246 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c(F)c1 ZINC000106890495 643243107 /nfs/dbraw/zinc/24/31/07/643243107.db2.gz JFBMDDRMMPHYQZ-UHFFFAOYSA-N -1 3 376.312 2.369 20 5 GEBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119200439 643541435 /nfs/dbraw/zinc/54/14/35/643541435.db2.gz YBEYMHXUZIXFHF-NOZJJQNGSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2cn(C)c(Cl)n2)c([N+](=O)[O-])c1 ZINC000124248837 643683795 /nfs/dbraw/zinc/68/37/95/643683795.db2.gz UWYQLXZVTKUPRS-UHFFFAOYSA-N -1 3 387.849 2.071 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccn2CC(F)(F)F)c(Cl)c1 ZINC000540272140 650861888 /nfs/dbraw/zinc/86/18/88/650861888.db2.gz XOYHFCLRYNIPDE-UHFFFAOYSA-N -1 3 398.750 2.486 20 5 GEBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC000156137534 644085354 /nfs/dbraw/zinc/08/53/54/644085354.db2.gz JCEQAOLWIMAOFV-LBPRGKRZSA-N -1 3 379.232 2.205 20 5 GEBDHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000543169686 650902408 /nfs/dbraw/zinc/90/24/08/650902408.db2.gz MIVNYETVLYLMQI-UFBFGSQYSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000269463330 646036576 /nfs/dbraw/zinc/03/65/76/646036576.db2.gz HQFKFKACNBDHEC-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271743907 646227408 /nfs/dbraw/zinc/22/74/08/646227408.db2.gz WXRVFRUYQBBEJK-GMSGAONNSA-N -1 3 388.389 2.004 20 5 GEBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2nc[n-]c(=O)c2C1 ZINC000272991859 646294963 /nfs/dbraw/zinc/29/49/63/646294963.db2.gz KWKAJVSJNYXLPA-UHFFFAOYSA-N -1 3 380.813 2.421 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000278831611 646554742 /nfs/dbraw/zinc/55/47/42/646554742.db2.gz IWGJHQPNWAAALR-GFCCVEGCSA-N -1 3 378.332 2.219 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H]2CCN(c3ccccc3)C2=O)s1 ZINC000301930406 647277735 /nfs/dbraw/zinc/27/77/35/647277735.db2.gz KJSFQVWJXABNBT-LLVKDONJSA-N -1 3 381.435 2.277 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCOCC2)C1 ZINC000331398122 647384004 /nfs/dbraw/zinc/38/40/04/647384004.db2.gz LEJVVVSXIZWBMH-LBPRGKRZSA-N -1 3 390.845 2.255 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000390531763 647892842 /nfs/dbraw/zinc/89/28/42/647892842.db2.gz XKWDMJAICPSITN-UHFFFAOYSA-N -1 3 378.353 2.238 20 5 GEBDHM Cc1nnc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416484575 648143988 /nfs/dbraw/zinc/14/39/88/648143988.db2.gz UZGGXTBQCMRTEK-UHFFFAOYSA-N -1 3 396.372 2.295 20 5 GEBDHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486159 648144438 /nfs/dbraw/zinc/14/44/38/648144438.db2.gz DGYUAOAINSIOGG-ZANVPECISA-N -1 3 382.360 2.443 20 5 GEBDHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000416486112 648144506 /nfs/dbraw/zinc/14/45/06/648144506.db2.gz HSXUJCOVXOZILF-UHFFFAOYSA-N -1 3 379.316 2.431 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccn(C)n1 ZINC000416555261 648169768 /nfs/dbraw/zinc/16/97/68/648169768.db2.gz DUKOWOUDEMZAJL-MRVPVSSYSA-N -1 3 378.332 2.387 20 5 GEBDHM CCn1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000416577211 648174898 /nfs/dbraw/zinc/17/48/98/648174898.db2.gz FGFROEVIRNYJIG-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416577348 648175122 /nfs/dbraw/zinc/17/51/22/648175122.db2.gz FQDXKEOTRDIEJO-VIFPVBQESA-N -1 3 381.248 2.308 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000416669297 648207830 /nfs/dbraw/zinc/20/78/30/648207830.db2.gz XGWVIKKSDFNOGK-MWLCHTKSSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2O)c(Br)c1 ZINC000553908536 651193723 /nfs/dbraw/zinc/19/37/23/651193723.db2.gz RAHNISUWUHDLCB-VXGBXAGGSA-N -1 3 393.259 2.329 20 5 GEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1n[nH]cc1Br ZINC000555191071 651219841 /nfs/dbraw/zinc/21/98/41/651219841.db2.gz BMXVBOBMFYZFKF-UHFFFAOYSA-N -1 3 375.204 2.065 20 5 GEBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000611199302 651713748 /nfs/dbraw/zinc/71/37/48/651713748.db2.gz ZUNUPPGYNJUXOA-UHFFFAOYSA-N -1 3 380.411 2.085 20 5 GEBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000594748529 652680372 /nfs/dbraw/zinc/68/03/72/652680372.db2.gz MBHSCVWYNBEFPD-AWEZNQCLSA-N -1 3 384.483 2.413 20 5 GEBDHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000762340097 652686686 /nfs/dbraw/zinc/68/66/86/652686686.db2.gz QMZMWEIHWFDYQI-KCJUWKMLSA-N -1 3 379.232 2.061 20 5 GEBDHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599396456 652866086 /nfs/dbraw/zinc/86/60/86/652866086.db2.gz JXOAMXATMLUAOA-ISVAXAHUSA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599484028 652875750 /nfs/dbraw/zinc/87/57/50/652875750.db2.gz WTBYFIRQBWZREA-BXKDBHETSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])s1 ZINC000601374836 653089243 /nfs/dbraw/zinc/08/92/43/653089243.db2.gz MBDKIEYJMRIDSF-GXFFZTMASA-N -1 3 378.497 2.298 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)O1 ZINC000601499501 653102181 /nfs/dbraw/zinc/10/21/81/653102181.db2.gz POEPVELKZYFEAW-XLDPMVHQSA-N -1 3 379.232 2.202 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c1 ZINC000859252222 653429388 /nfs/dbraw/zinc/42/93/88/653429388.db2.gz LEMCEQUJZYPNJS-SNVBAGLBSA-N -1 3 393.259 2.452 20 5 GEBDHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859290953 653435333 /nfs/dbraw/zinc/43/53/33/653435333.db2.gz CGDXBRVTPWBVOB-OQPBUACISA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCN(C2CC2)C1 ZINC000814987195 653641969 /nfs/dbraw/zinc/64/19/69/653641969.db2.gz LLKMWLCXRYIHCR-SECBINFHSA-N -1 3 377.825 2.150 20 5 GEBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989622 653642146 /nfs/dbraw/zinc/64/21/46/653642146.db2.gz QZDPCJOIJHDAPV-SNVBAGLBSA-N -1 3 379.841 2.398 20 5 GEBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000841529821 653728129 /nfs/dbraw/zinc/72/81/29/653728129.db2.gz OZHIZLOBGOWHLT-UHFFFAOYSA-N -1 3 398.254 2.115 20 5 GEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)O1 ZINC000841559755 653733593 /nfs/dbraw/zinc/73/35/93/653733593.db2.gz HDMMSAGYKDKMDK-BBBLOLIVSA-N -1 3 393.259 2.449 20 5 GEBDHM COC(C)(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000867729401 653978010 /nfs/dbraw/zinc/97/80/10/653978010.db2.gz VYYYNYJQJNXUHW-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796107632 653986630 /nfs/dbraw/zinc/98/66/30/653986630.db2.gz MQFDLHOUWAWYLK-GMSGAONNSA-N -1 3 381.273 2.387 20 5 GEBDHM COC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000796177725 653989715 /nfs/dbraw/zinc/98/97/15/653989715.db2.gz YNEVSDAVUAGCQR-UHFFFAOYSA-N -1 3 391.833 2.005 20 5 GEBDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000849468822 654043600 /nfs/dbraw/zinc/04/36/00/654043600.db2.gz GWXQHGOJUKLMFR-CYBMUJFWSA-N -1 3 382.797 2.126 20 5 GEBDHM CCC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000831764686 654207683 /nfs/dbraw/zinc/20/76/83/654207683.db2.gz ZDGMWDASMBRWMT-SNVBAGLBSA-N -1 3 381.248 2.451 20 5 GEBDHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC000832494370 654269962 /nfs/dbraw/zinc/26/99/62/654269962.db2.gz MVAHKIQPIPXCON-UHFFFAOYSA-N -1 3 390.215 2.386 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOC1CCSCC1 ZINC000908460565 654631193 /nfs/dbraw/zinc/63/11/93/654631193.db2.gz JFMMBFNPFFPDEN-UHFFFAOYSA-N -1 3 380.875 2.439 20 5 GEBDHM COc1cc(Cl)c(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000152814897 531572362 /nfs/dbraw/zinc/57/23/62/531572362.db2.gz NAEQDKMAQCIYDT-UHFFFAOYSA-N -1 3 395.224 2.085 20 5 GEBDHM Cc1c(Cl)cccc1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000021184989 531586338 /nfs/dbraw/zinc/58/63/38/531586338.db2.gz VZEAXSDAUYBVRX-UHFFFAOYSA-N -1 3 383.813 2.474 20 5 GEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2ccccn21 ZINC000155690084 531696100 /nfs/dbraw/zinc/69/61/00/531696100.db2.gz QKBBTELVGBFGIS-ZDUSSCGKSA-N -1 3 381.439 2.375 20 5 GEBDHM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000055580110 531794432 /nfs/dbraw/zinc/79/44/32/531794432.db2.gz ULHOWWDSXJOAJK-TXEJJXNPSA-N -1 3 391.877 2.026 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2cccn2)c(C(F)(F)F)c1 ZINC000162762906 531850169 /nfs/dbraw/zinc/85/01/69/531850169.db2.gz JFSVNQWKPSDQJH-UHFFFAOYSA-N -1 3 378.332 2.179 20 5 GEBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000172506806 531955634 /nfs/dbraw/zinc/95/56/34/531955634.db2.gz WKWCXJIXJXSAIO-UHFFFAOYSA-N -1 3 389.842 2.148 20 5 GEBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120841567 531998663 /nfs/dbraw/zinc/99/86/63/531998663.db2.gz BKCSMRWNYSGANJ-IUCAKERBSA-N -1 3 381.248 2.043 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000121867899 532049747 /nfs/dbraw/zinc/04/97/47/532049747.db2.gz HTGQCLLHAPIMNF-MWLCHTKSSA-N -1 3 382.360 2.443 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000123260542 532096803 /nfs/dbraw/zinc/09/68/03/532096803.db2.gz CZAXUCSPRUSUNV-CQSZACIVSA-N -1 3 383.495 2.416 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000125598739 532139661 /nfs/dbraw/zinc/13/96/61/532139661.db2.gz JESAMUDCBNLVQD-GFCCVEGCSA-N -1 3 387.483 2.034 20 5 GEBDHM Cc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000128750046 532168066 /nfs/dbraw/zinc/16/80/66/532168066.db2.gz WRMKHOGYEIUJDJ-UHFFFAOYSA-N -1 3 376.847 2.404 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CCOCC2)ccc1Br ZINC000178322708 532199090 /nfs/dbraw/zinc/19/90/90/532199090.db2.gz GKVSXERKWVOXQM-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)c1 ZINC000133962832 532247220 /nfs/dbraw/zinc/24/72/20/532247220.db2.gz YNZBTICLJNQWNP-RNCFNFMXSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCCO)cc1Br ZINC000180665111 532277259 /nfs/dbraw/zinc/27/72/59/532277259.db2.gz XOFNZKIGKLZHSA-UHFFFAOYSA-N -1 3 381.248 2.188 20 5 GEBDHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000180821728 532282756 /nfs/dbraw/zinc/28/27/56/532282756.db2.gz MDGUZAZPUSCXSQ-UHFFFAOYSA-N -1 3 377.300 2.244 20 5 GEBDHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188278877 532347712 /nfs/dbraw/zinc/34/77/12/532347712.db2.gz HBWPIVBEWUPEBH-AWEZNQCLSA-N -1 3 384.841 2.439 20 5 GEBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000295396148 532444180 /nfs/dbraw/zinc/44/41/80/532444180.db2.gz VEDGNRHFTPANGH-UHFFFAOYSA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c(F)c1 ZINC000561528986 532444240 /nfs/dbraw/zinc/44/42/40/532444240.db2.gz VXXYDFQNABTPMM-UHFFFAOYSA-N -1 3 384.370 2.324 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2n[nH]c(C3CC3)n2)c(Cl)cc1Cl ZINC000295423812 532444893 /nfs/dbraw/zinc/44/48/93/532444893.db2.gz XCGUIFYYUSTEAN-UHFFFAOYSA-N -1 3 392.224 2.376 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000467765990 532454860 /nfs/dbraw/zinc/45/48/60/532454860.db2.gz CGYGAWSEVUKSML-UHFFFAOYSA-N -1 3 386.455 2.231 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c(Br)c1 ZINC000594865403 532538602 /nfs/dbraw/zinc/53/86/02/532538602.db2.gz POGDPIBNPGYRTL-SNVBAGLBSA-N -1 3 393.259 2.044 20 5 GEBDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594702458 532521012 /nfs/dbraw/zinc/52/10/12/532521012.db2.gz YKEVKDNDJWVXIC-NSHDSACASA-N -1 3 384.332 2.066 20 5 GEBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n(C)n1 ZINC000284708889 532612369 /nfs/dbraw/zinc/61/23/69/532612369.db2.gz QKSZQFIKHZZOSA-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000599476766 532661861 /nfs/dbraw/zinc/66/18/61/532661861.db2.gz JWBOXLMEGBMTEP-UHFFFAOYSA-N -1 3 389.861 2.175 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)c(Cl)c1 ZINC000377297135 532649634 /nfs/dbraw/zinc/64/96/34/532649634.db2.gz QFPWKCSXNNRSFT-WFASDCNBSA-N -1 3 384.797 2.021 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000298806233 532674939 /nfs/dbraw/zinc/67/49/39/532674939.db2.gz HYUOOJSGCAEYEI-NSHDSACASA-N -1 3 381.376 2.066 20 5 GEBDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000285682104 532698514 /nfs/dbraw/zinc/69/85/14/532698514.db2.gz RBXMVVRWTIGWQB-NXEZZACHSA-N -1 3 393.259 2.308 20 5 GEBDHM Cc1nnc2n1CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000378597642 532699073 /nfs/dbraw/zinc/69/90/73/532699073.db2.gz LBJFVBQLRAQDOE-JTQLQIEISA-N -1 3 385.833 2.270 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000488670719 532701496 /nfs/dbraw/zinc/70/14/96/532701496.db2.gz RXLIZSPNVZCGOW-SECBINFHSA-N -1 3 392.275 2.118 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000488670724 532701525 /nfs/dbraw/zinc/70/15/25/532701525.db2.gz RXLIZSPNVZCGOW-VIFPVBQESA-N -1 3 392.275 2.118 20 5 GEBDHM CC(=O)Nc1ccncc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486144013 532688614 /nfs/dbraw/zinc/68/86/14/532688614.db2.gz NIHPASIINGUHPU-UHFFFAOYSA-N -1 3 385.199 2.446 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000266207133 532706258 /nfs/dbraw/zinc/70/62/58/532706258.db2.gz PQECOTTYWWBNBL-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000539219359 532726871 /nfs/dbraw/zinc/72/68/71/532726871.db2.gz HTLWIDAYDPNLPU-JOYOIKCWSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c(Br)c1 ZINC000443234933 532742934 /nfs/dbraw/zinc/74/29/34/532742934.db2.gz RRUAFUIVSLKVJG-ONGXEEELSA-N -1 3 393.259 2.187 20 5 GEBDHM CS[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000541309234 532751548 /nfs/dbraw/zinc/75/15/48/532751548.db2.gz WBAUQRRMYIZHMI-CQSZACIVSA-N -1 3 390.483 2.422 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CO[C@@H]2CCOC2)c1 ZINC000272494779 532816524 /nfs/dbraw/zinc/81/65/24/532816524.db2.gz QJXOZCFDUZRFMC-WDEREUQCSA-N -1 3 378.834 2.029 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CO[C@@H]2CCOC2)c1 ZINC000272494773 532816545 /nfs/dbraw/zinc/81/65/45/532816545.db2.gz QJXOZCFDUZRFMC-GHMZBOCLSA-N -1 3 378.834 2.029 20 5 GEBDHM CN(CCCC(=O)[O-])Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000414638180 532833568 /nfs/dbraw/zinc/83/35/68/532833568.db2.gz NMGMRNPDUXEPNU-UHFFFAOYSA-N -1 3 378.166 2.496 20 5 GEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000331346676 532838368 /nfs/dbraw/zinc/83/83/68/532838368.db2.gz RNMQRJSCXXOWGZ-GFCCVEGCSA-N -1 3 379.232 2.205 20 5 GEBDHM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000332507351 532856686 /nfs/dbraw/zinc/85/66/86/532856686.db2.gz YGZBZTIKFXGQNP-UKRRQHHQSA-N -1 3 392.861 2.093 20 5 GEBDHM CCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000275072331 532863315 /nfs/dbraw/zinc/86/33/15/532863315.db2.gz KVPFJKDFEAYXMD-UHFFFAOYSA-N -1 3 376.406 2.228 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c1 ZINC000275144595 532866287 /nfs/dbraw/zinc/86/62/87/532866287.db2.gz FHJVULAHBQSKRQ-NOZJJQNGSA-N -1 3 393.259 2.187 20 5 GEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416367988 532872156 /nfs/dbraw/zinc/87/21/56/532872156.db2.gz GBVLURPCJPGEKD-NSHDSACASA-N -1 3 381.376 2.376 20 5 GEBDHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C ZINC000416459438 532878207 /nfs/dbraw/zinc/87/82/07/532878207.db2.gz SODSABUCJOKCII-KOLCDFICSA-N -1 3 381.376 2.375 20 5 GEBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276200349 532890901 /nfs/dbraw/zinc/89/09/01/532890901.db2.gz JFXMGOASTJMDMF-JTQLQIEISA-N -1 3 376.456 2.191 20 5 GEBDHM C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421845696 532891000 /nfs/dbraw/zinc/89/10/00/532891000.db2.gz QQYJWWGPLHYCBB-NSHDSACASA-N -1 3 384.845 2.272 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ncc(C)s1 ZINC000276291670 532892676 /nfs/dbraw/zinc/89/26/76/532892676.db2.gz ZYBCRZWJSBWHIX-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000737524690 598826885 /nfs/dbraw/zinc/82/68/85/598826885.db2.gz PXDDSAVNXMOMHO-UHFFFAOYSA-N -1 3 390.363 2.225 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000737524690 598826887 /nfs/dbraw/zinc/82/68/87/598826887.db2.gz PXDDSAVNXMOMHO-UHFFFAOYSA-N -1 3 390.363 2.225 20 5 GEBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000736037838 598884626 /nfs/dbraw/zinc/88/46/26/598884626.db2.gz OXJBINBQMVOMBD-GFCCVEGCSA-N -1 3 399.363 2.164 20 5 GEBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000736037838 598884628 /nfs/dbraw/zinc/88/46/28/598884628.db2.gz OXJBINBQMVOMBD-GFCCVEGCSA-N -1 3 399.363 2.164 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737919707 598892893 /nfs/dbraw/zinc/89/28/93/598892893.db2.gz PPWMOZGGHQPDKV-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736897307 598893392 /nfs/dbraw/zinc/89/33/92/598893392.db2.gz FLCPGCLKGPWLDR-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736897307 598893394 /nfs/dbraw/zinc/89/33/94/598893394.db2.gz FLCPGCLKGPWLDR-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM Cn1c(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2ccc(F)cc21 ZINC000737592332 598933461 /nfs/dbraw/zinc/93/34/61/598933461.db2.gz NLKHRAZBMAPQTK-UHFFFAOYSA-N -1 3 382.359 2.455 20 5 GEBDHM Cn1c(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2ccc(F)cc21 ZINC000737592332 598933463 /nfs/dbraw/zinc/93/34/63/598933463.db2.gz NLKHRAZBMAPQTK-UHFFFAOYSA-N -1 3 382.359 2.455 20 5 GEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774552 599040009 /nfs/dbraw/zinc/04/00/09/599040009.db2.gz FRAKQGDWYQPOHZ-MEBBXXQBSA-N -1 3 385.359 2.275 20 5 GEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774552 599040012 /nfs/dbraw/zinc/04/00/12/599040012.db2.gz FRAKQGDWYQPOHZ-MEBBXXQBSA-N -1 3 385.359 2.275 20 5 GEBDHM CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736564500 599040793 /nfs/dbraw/zinc/04/07/93/599040793.db2.gz HBBOCBYRGGIMOH-UHFFFAOYSA-N -1 3 388.409 2.299 20 5 GEBDHM CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736564500 599040796 /nfs/dbraw/zinc/04/07/96/599040796.db2.gz HBBOCBYRGGIMOH-UHFFFAOYSA-N -1 3 388.409 2.299 20 5 GEBDHM CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736564199 599040868 /nfs/dbraw/zinc/04/08/68/599040868.db2.gz AHWDYHFMDYPPHA-UHFFFAOYSA-N -1 3 392.372 2.129 20 5 GEBDHM CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736564199 599040871 /nfs/dbraw/zinc/04/08/71/599040871.db2.gz AHWDYHFMDYPPHA-UHFFFAOYSA-N -1 3 392.372 2.129 20 5 GEBDHM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736564650 599040885 /nfs/dbraw/zinc/04/08/85/599040885.db2.gz KUSZQDNMIIUPEC-UHFFFAOYSA-N -1 3 388.409 2.299 20 5 GEBDHM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736564650 599040888 /nfs/dbraw/zinc/04/08/88/599040888.db2.gz KUSZQDNMIIUPEC-UHFFFAOYSA-N -1 3 388.409 2.299 20 5 GEBDHM Cc1ccnc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000737437914 599045193 /nfs/dbraw/zinc/04/51/93/599045193.db2.gz UDVXHZHLGVFMCU-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM Cc1ccnc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000737437914 599045196 /nfs/dbraw/zinc/04/51/96/599045196.db2.gz UDVXHZHLGVFMCU-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM CC(C)(C)OC(=O)CCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819928014 599089696 /nfs/dbraw/zinc/08/96/96/599089696.db2.gz GGBYAWCEPONLRD-UHFFFAOYSA-N -1 3 377.405 2.484 20 5 GEBDHM CC(C)(C)OC(=O)CCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819928014 599089698 /nfs/dbraw/zinc/08/96/98/599089698.db2.gz GGBYAWCEPONLRD-UHFFFAOYSA-N -1 3 377.405 2.484 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823066192 599162936 /nfs/dbraw/zinc/16/29/36/599162936.db2.gz OZBPPZOPSFJJNU-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823066192 599162938 /nfs/dbraw/zinc/16/29/38/599162938.db2.gz OZBPPZOPSFJJNU-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737368497 599187082 /nfs/dbraw/zinc/18/70/82/599187082.db2.gz LIIJTHICHUJIIH-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737368497 599187085 /nfs/dbraw/zinc/18/70/85/599187085.db2.gz LIIJTHICHUJIIH-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823478745 599205386 /nfs/dbraw/zinc/20/53/86/599205386.db2.gz QRAQBEJDOSUTIG-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823478745 599205388 /nfs/dbraw/zinc/20/53/88/599205388.db2.gz QRAQBEJDOSUTIG-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738089731 599221283 /nfs/dbraw/zinc/22/12/83/599221283.db2.gz REHRILYLFMQAEF-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737117528 598253085 /nfs/dbraw/zinc/25/30/85/598253085.db2.gz YFXCIWBNYRFIRP-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737117528 598253087 /nfs/dbraw/zinc/25/30/87/598253087.db2.gz YFXCIWBNYRFIRP-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1cc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737040154 598289442 /nfs/dbraw/zinc/28/94/42/598289442.db2.gz FOLZVFUQKTYVSS-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737847236 598304078 /nfs/dbraw/zinc/30/40/78/598304078.db2.gz IENSIDGXMVTSDW-UHFFFAOYSA-N -1 3 385.359 2.032 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737847236 598304080 /nfs/dbraw/zinc/30/40/80/598304080.db2.gz IENSIDGXMVTSDW-UHFFFAOYSA-N -1 3 385.359 2.032 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738100945 598305822 /nfs/dbraw/zinc/30/58/22/598305822.db2.gz BLTVRXXKGCKYLW-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738100945 598305824 /nfs/dbraw/zinc/30/58/24/598305824.db2.gz BLTVRXXKGCKYLW-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM COc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737084954 598394195 /nfs/dbraw/zinc/39/41/95/598394195.db2.gz WYLKOQSEDMPEDC-MDWZMJQESA-N -1 3 392.331 2.128 20 5 GEBDHM COc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737084954 598394196 /nfs/dbraw/zinc/39/41/96/598394196.db2.gz WYLKOQSEDMPEDC-MDWZMJQESA-N -1 3 392.331 2.128 20 5 GEBDHM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000736892937 598427728 /nfs/dbraw/zinc/42/77/28/598427728.db2.gz QIMZXUWRQXAYQW-AWEZNQCLSA-N -1 3 382.380 2.452 20 5 GEBDHM COC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000736892937 598427729 /nfs/dbraw/zinc/42/77/29/598427729.db2.gz QIMZXUWRQXAYQW-AWEZNQCLSA-N -1 3 382.380 2.452 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000737293677 598444905 /nfs/dbraw/zinc/44/49/05/598444905.db2.gz IBEAKKROKZGFEY-UHFFFAOYSA-N -1 3 382.336 2.107 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000737293677 598444907 /nfs/dbraw/zinc/44/49/07/598444907.db2.gz IBEAKKROKZGFEY-UHFFFAOYSA-N -1 3 382.336 2.107 20 5 GEBDHM COc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1N1CCCC1=O ZINC000737050165 598497338 /nfs/dbraw/zinc/49/73/38/598497338.db2.gz AHXBJFAERQVABC-UHFFFAOYSA-N -1 3 396.367 2.049 20 5 GEBDHM COc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1N1CCCC1=O ZINC000737050165 598497340 /nfs/dbraw/zinc/49/73/40/598497340.db2.gz AHXBJFAERQVABC-UHFFFAOYSA-N -1 3 396.367 2.049 20 5 GEBDHM CCOC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000736590092 598500460 /nfs/dbraw/zinc/50/04/60/598500460.db2.gz FAPAVAUSXBRTJE-CYBMUJFWSA-N -1 3 397.395 2.004 20 5 GEBDHM CCOC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000736590092 598500461 /nfs/dbraw/zinc/50/04/61/598500461.db2.gz FAPAVAUSXBRTJE-CYBMUJFWSA-N -1 3 397.395 2.004 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826420817 607359858 /nfs/dbraw/zinc/35/98/58/607359858.db2.gz DRKIJFPODUVRIV-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826420817 607359860 /nfs/dbraw/zinc/35/98/60/607359860.db2.gz DRKIJFPODUVRIV-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM COc1ccccc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737149359 598551288 /nfs/dbraw/zinc/55/12/88/598551288.db2.gz GYVRTCNULHIFFM-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738123594 598579102 /nfs/dbraw/zinc/57/91/02/598579102.db2.gz HMGSGVBAYWYDDY-QGZVFWFLSA-N -1 3 393.407 2.060 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc([N+](=O)[O-])ccc1Br ZINC000738150775 598661901 /nfs/dbraw/zinc/66/19/01/598661901.db2.gz FPLSTXPOMACXKF-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc([N+](=O)[O-])ccc1Br ZINC000738150775 598661902 /nfs/dbraw/zinc/66/19/02/598661902.db2.gz FPLSTXPOMACXKF-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(NCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000738065955 598677709 /nfs/dbraw/zinc/67/77/09/598677709.db2.gz OSZOAIOJTVECPW-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=C(NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000738065955 598677711 /nfs/dbraw/zinc/67/77/11/598677711.db2.gz OSZOAIOJTVECPW-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738359736 598694550 /nfs/dbraw/zinc/69/45/50/598694550.db2.gz MYQYEMBEIWCNPL-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737847634 598704971 /nfs/dbraw/zinc/70/49/71/598704971.db2.gz KAHJNEDJIHZANQ-UHFFFAOYSA-N -1 3 386.343 2.459 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737847634 598704972 /nfs/dbraw/zinc/70/49/72/598704972.db2.gz KAHJNEDJIHZANQ-UHFFFAOYSA-N -1 3 386.343 2.459 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736187296 598778701 /nfs/dbraw/zinc/77/87/01/598778701.db2.gz IAGDCYQYARBFOL-SNVBAGLBSA-N -1 3 387.327 2.425 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736187296 598778703 /nfs/dbraw/zinc/77/87/03/598778703.db2.gz IAGDCYQYARBFOL-SNVBAGLBSA-N -1 3 387.327 2.425 20 5 GEBDHM CC(=O)Nc1cccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735489056 598795537 /nfs/dbraw/zinc/79/55/37/598795537.db2.gz SYTOQMRRRJILNY-UHFFFAOYSA-N -1 3 383.368 2.224 20 5 GEBDHM CC(=O)Nc1cccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735489056 598795538 /nfs/dbraw/zinc/79/55/38/598795538.db2.gz SYTOQMRRRJILNY-UHFFFAOYSA-N -1 3 383.368 2.224 20 5 GEBDHM O=[N+]([O-])c1ccc(Sc2nnnn2Cc2cccs2)c(-c2nnn[n-]2)c1 ZINC000823645605 599321624 /nfs/dbraw/zinc/32/16/24/599321624.db2.gz UYEVKQKCKAHKQO-UHFFFAOYSA-N -1 3 387.410 2.022 20 5 GEBDHM O=[N+]([O-])c1ccc(Sc2nnnn2Cc2cccs2)c(-c2nn[n-]n2)c1 ZINC000823645605 599321626 /nfs/dbraw/zinc/32/16/26/599321626.db2.gz UYEVKQKCKAHKQO-UHFFFAOYSA-N -1 3 387.410 2.022 20 5 GEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000736841635 599350242 /nfs/dbraw/zinc/35/02/42/599350242.db2.gz GKCDBBPLACTZJK-HNNXBMFYSA-N -1 3 379.380 2.017 20 5 GEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000736841635 599350245 /nfs/dbraw/zinc/35/02/45/599350245.db2.gz GKCDBBPLACTZJK-HNNXBMFYSA-N -1 3 379.380 2.017 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000822135462 599362639 /nfs/dbraw/zinc/36/26/39/599362639.db2.gz AZWFIKUBONVICK-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000822135462 599362642 /nfs/dbraw/zinc/36/26/42/599362642.db2.gz AZWFIKUBONVICK-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C ZINC000822271262 599363913 /nfs/dbraw/zinc/36/39/13/599363913.db2.gz TZUYMMKQCXHUCS-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822271262 599363915 /nfs/dbraw/zinc/36/39/15/599363915.db2.gz TZUYMMKQCXHUCS-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820570536 599365493 /nfs/dbraw/zinc/36/54/93/599365493.db2.gz LXUYFAHIYVLQOW-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820570536 599365496 /nfs/dbraw/zinc/36/54/96/599365496.db2.gz LXUYFAHIYVLQOW-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM CN(CCCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736801119 599442770 /nfs/dbraw/zinc/44/27/70/599442770.db2.gz QGLPADSKSYNOSB-UHFFFAOYSA-N -1 3 377.405 2.126 20 5 GEBDHM CN(CCCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736801119 599442772 /nfs/dbraw/zinc/44/27/72/599442772.db2.gz QGLPADSKSYNOSB-UHFFFAOYSA-N -1 3 377.405 2.126 20 5 GEBDHM Cc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1C ZINC000822309317 599446258 /nfs/dbraw/zinc/44/62/58/599446258.db2.gz UMYZBZQBWJICFI-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM Cc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1C ZINC000822309317 599446261 /nfs/dbraw/zinc/44/62/61/599446261.db2.gz UMYZBZQBWJICFI-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM COc1cc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000821720006 599514021 /nfs/dbraw/zinc/51/40/21/599514021.db2.gz LPOQMLCWDVCLDA-UHFFFAOYSA-N -1 3 381.396 2.110 20 5 GEBDHM COc1cc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000821720006 599514024 /nfs/dbraw/zinc/51/40/24/599514024.db2.gz LPOQMLCWDVCLDA-UHFFFAOYSA-N -1 3 381.396 2.110 20 5 GEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000821690469 607382342 /nfs/dbraw/zinc/38/23/42/607382342.db2.gz NBGCVIWIGFQNTG-UHFFFAOYSA-N -1 3 389.803 2.476 20 5 GEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000821690469 607382343 /nfs/dbraw/zinc/38/23/43/607382343.db2.gz NBGCVIWIGFQNTG-UHFFFAOYSA-N -1 3 389.803 2.476 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000736184692 599546131 /nfs/dbraw/zinc/54/61/31/599546131.db2.gz MIFUHISALXROMU-LLVKDONJSA-N -1 3 380.364 2.132 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000736184692 599546133 /nfs/dbraw/zinc/54/61/33/599546133.db2.gz MIFUHISALXROMU-LLVKDONJSA-N -1 3 380.364 2.132 20 5 GEBDHM CN(C)C(=O)c1cccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821580048 599585072 /nfs/dbraw/zinc/58/50/72/599585072.db2.gz XQMMUGDMEFGNKJ-UHFFFAOYSA-N -1 3 381.396 2.131 20 5 GEBDHM CN(C)C(=O)c1cccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821580048 599585076 /nfs/dbraw/zinc/58/50/76/599585076.db2.gz XQMMUGDMEFGNKJ-UHFFFAOYSA-N -1 3 381.396 2.131 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821845899 607416363 /nfs/dbraw/zinc/41/63/63/607416363.db2.gz LPUNLTIWRDHMEL-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821845899 607416364 /nfs/dbraw/zinc/41/63/64/607416364.db2.gz LPUNLTIWRDHMEL-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM O=C(Cn1ncc2ccccc21)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826425489 607466686 /nfs/dbraw/zinc/46/66/86/607466686.db2.gz GIVPCCJYOWDYKF-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM O=C(Cn1ncc2ccccc21)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826425489 607466688 /nfs/dbraw/zinc/46/66/88/607466688.db2.gz GIVPCCJYOWDYKF-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826498213 607575925 /nfs/dbraw/zinc/57/59/25/607575925.db2.gz LNGHCKGYDVLYEN-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C([O-])NC1(CN[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCCC1 ZINC000740548334 602710297 /nfs/dbraw/zinc/71/02/97/602710297.db2.gz QRFXZQKHKVLEDR-HNNXBMFYSA-N -1 3 376.413 2.260 20 5 GEBDHM Cc1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2C)c1-c1nnn[n-]1 ZINC000826304337 607592648 /nfs/dbraw/zinc/59/26/48/607592648.db2.gz HVCLIKKGQOALCE-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826302848 607592903 /nfs/dbraw/zinc/59/29/03/607592903.db2.gz UNWCVXDSRYBCBI-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826302848 607592904 /nfs/dbraw/zinc/59/29/04/607592904.db2.gz UNWCVXDSRYBCBI-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM COc1ccc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1-c1nnn[n-]1 ZINC000826205882 607605865 /nfs/dbraw/zinc/60/58/65/607605865.db2.gz RKALBAYVBLTNPI-UHFFFAOYSA-N -1 3 384.352 2.031 20 5 GEBDHM COc1ccc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1-c1nn[n-]n1 ZINC000826205882 607605867 /nfs/dbraw/zinc/60/58/67/607605867.db2.gz RKALBAYVBLTNPI-UHFFFAOYSA-N -1 3 384.352 2.031 20 5 GEBDHM COc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826201437 607611924 /nfs/dbraw/zinc/61/19/24/607611924.db2.gz PIKSIZVCKAAVQS-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826201437 607611925 /nfs/dbraw/zinc/61/19/25/607611925.db2.gz PIKSIZVCKAAVQS-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM C[C@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CNC(=O)[O-] ZINC000825926351 603709697 /nfs/dbraw/zinc/70/96/97/603709697.db2.gz WNGAOAKVDBZUSE-SWLSCSKDSA-N -1 3 392.412 2.261 20 5 GEBDHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833622314 605021931 /nfs/dbraw/zinc/02/19/31/605021931.db2.gz HCXCOXVJOQRROB-IAQYHMDHSA-N -1 3 393.465 2.374 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825203964 607735917 /nfs/dbraw/zinc/73/59/17/607735917.db2.gz ONPSWGPQBSXBJV-SMDDNHRTSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825203964 607735918 /nfs/dbraw/zinc/73/59/18/607735918.db2.gz ONPSWGPQBSXBJV-SMDDNHRTSA-N -1 3 385.428 2.224 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820270248 606038905 /nfs/dbraw/zinc/03/89/05/606038905.db2.gz YMWIFXCIAUTCQO-JTQLQIEISA-N -1 3 377.405 2.124 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820270248 606038908 /nfs/dbraw/zinc/03/89/08/606038908.db2.gz YMWIFXCIAUTCQO-JTQLQIEISA-N -1 3 377.405 2.124 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819939522 606060869 /nfs/dbraw/zinc/06/08/69/606060869.db2.gz FLNSPAHXNPENJB-LBPRGKRZSA-N -1 3 389.416 2.268 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819939522 606060873 /nfs/dbraw/zinc/06/08/73/606060873.db2.gz FLNSPAHXNPENJB-LBPRGKRZSA-N -1 3 389.416 2.268 20 5 GEBDHM Cc1cc(-n2ccc(=O)c([N+](=O)[O-])c2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822152886 606061936 /nfs/dbraw/zinc/06/19/36/606061936.db2.gz JJERLHKFOZVWJW-UHFFFAOYSA-N -1 3 388.347 2.035 20 5 GEBDHM Cc1cc(-n2ccc(=O)c([N+](=O)[O-])c2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822152886 606061942 /nfs/dbraw/zinc/06/19/42/606061942.db2.gz JJERLHKFOZVWJW-UHFFFAOYSA-N -1 3 388.347 2.035 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cc(F)ccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000823640032 606108781 /nfs/dbraw/zinc/10/87/81/606108781.db2.gz PYPVTRVPRXYNMK-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cc(F)ccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000823640032 606108784 /nfs/dbraw/zinc/10/87/84/606108784.db2.gz PYPVTRVPRXYNMK-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000820534548 606129909 /nfs/dbraw/zinc/12/99/09/606129909.db2.gz LIIDNJNKBRLFBJ-SNVBAGLBSA-N -1 3 387.327 2.425 20 5 GEBDHM Cc1c(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000822116183 606243607 /nfs/dbraw/zinc/24/36/07/606243607.db2.gz NXFWMWOBANIBJK-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1c(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000822116183 606243609 /nfs/dbraw/zinc/24/36/09/606243609.db2.gz NXFWMWOBANIBJK-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM O=C1[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823514145 606244594 /nfs/dbraw/zinc/24/45/94/606244594.db2.gz WZFWIFPNQJFNOR-CQSZACIVSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823514145 606244596 /nfs/dbraw/zinc/24/45/96/606244596.db2.gz WZFWIFPNQJFNOR-CQSZACIVSA-N -1 3 383.343 2.131 20 5 GEBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823664601 606305409 /nfs/dbraw/zinc/30/54/09/606305409.db2.gz APHIUZQIQDSUAX-WEVVVXLNSA-N -1 3 393.388 2.491 20 5 GEBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823664601 606305411 /nfs/dbraw/zinc/30/54/11/606305411.db2.gz APHIUZQIQDSUAX-WEVVVXLNSA-N -1 3 393.388 2.491 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821615670 606315402 /nfs/dbraw/zinc/31/54/02/606315402.db2.gz IHWQWNNVFTUXTR-AWEZNQCLSA-N -1 3 399.436 2.074 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821615670 606315405 /nfs/dbraw/zinc/31/54/05/606315405.db2.gz IHWQWNNVFTUXTR-AWEZNQCLSA-N -1 3 399.436 2.074 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648114 606367075 /nfs/dbraw/zinc/36/70/75/606367075.db2.gz BGGLCZQANDCACA-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648114 606367076 /nfs/dbraw/zinc/36/70/76/606367076.db2.gz BGGLCZQANDCACA-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823665607 606390115 /nfs/dbraw/zinc/39/01/15/606390115.db2.gz SBVGSIOGMAKLBM-CLFYSBASSA-N -1 3 393.388 2.491 20 5 GEBDHM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229447 606435908 /nfs/dbraw/zinc/43/59/08/606435908.db2.gz UZLSTGQJXSZCFV-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229447 606435910 /nfs/dbraw/zinc/43/59/10/606435910.db2.gz UZLSTGQJXSZCFV-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823410466 606561181 /nfs/dbraw/zinc/56/11/81/606561181.db2.gz WVXYLECCJMOGEU-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823410466 606561183 /nfs/dbraw/zinc/56/11/83/606561183.db2.gz WVXYLECCJMOGEU-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM Cc1cccc(C)c1OC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822299567 606645925 /nfs/dbraw/zinc/64/59/25/606645925.db2.gz NGJHIJRIBLVRMK-AWEZNQCLSA-N -1 3 384.396 2.244 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823647238 606739244 /nfs/dbraw/zinc/73/92/44/606739244.db2.gz INVHJAZZJGWUMK-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823647238 606739246 /nfs/dbraw/zinc/73/92/46/606739246.db2.gz INVHJAZZJGWUMK-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823657651 606780110 /nfs/dbraw/zinc/78/01/10/606780110.db2.gz TUQVAINNKKHLBA-UHFFFAOYSA-N -1 3 398.713 2.240 20 5 GEBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823657651 606780111 /nfs/dbraw/zinc/78/01/11/606780111.db2.gz TUQVAINNKKHLBA-UHFFFAOYSA-N -1 3 398.713 2.240 20 5 GEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000823451005 607248466 /nfs/dbraw/zinc/24/84/66/607248466.db2.gz RYUQNJJLMNYLIE-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000823451005 607248467 /nfs/dbraw/zinc/24/84/67/607248467.db2.gz RYUQNJJLMNYLIE-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM Cc1c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234486 607791243 /nfs/dbraw/zinc/79/12/43/607791243.db2.gz YSUBCVYYOAGPLB-UHFFFAOYSA-N -1 3 383.324 2.268 20 5 GEBDHM Cc1c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234486 607791244 /nfs/dbraw/zinc/79/12/44/607791244.db2.gz YSUBCVYYOAGPLB-UHFFFAOYSA-N -1 3 383.324 2.268 20 5 GEBDHM CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825999405 607848320 /nfs/dbraw/zinc/84/83/20/607848320.db2.gz ZTTQLBZMCWCJAK-UHFFFAOYSA-N -1 3 395.358 2.266 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COc1ccccc1Cl ZINC000826497656 607869415 /nfs/dbraw/zinc/86/94/15/607869415.db2.gz OURDJAHLQWYVQV-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1ccccc1Cl ZINC000826497656 607869416 /nfs/dbraw/zinc/86/94/16/607869416.db2.gz OURDJAHLQWYVQV-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000826497360 607873463 /nfs/dbraw/zinc/87/34/63/607873463.db2.gz FADAAPLXUAICGU-LBPRGKRZSA-N -1 3 396.363 2.075 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000826497360 607873464 /nfs/dbraw/zinc/87/34/64/607873464.db2.gz FADAAPLXUAICGU-LBPRGKRZSA-N -1 3 396.363 2.075 20 5 GEBDHM O=C1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000826478906 607968687 /nfs/dbraw/zinc/96/86/87/607968687.db2.gz LTQVUQAUEQSBMT-CQSZACIVSA-N -1 3 393.407 2.236 20 5 GEBDHM O=C1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC000826478906 607968688 /nfs/dbraw/zinc/96/86/88/607968688.db2.gz LTQVUQAUEQSBMT-CQSZACIVSA-N -1 3 393.407 2.236 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473700 608082305 /nfs/dbraw/zinc/08/23/05/608082305.db2.gz JQTGFONMBYJKHH-LBPRGKRZSA-N -1 3 386.393 2.050 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473700 608082306 /nfs/dbraw/zinc/08/23/06/608082306.db2.gz JQTGFONMBYJKHH-LBPRGKRZSA-N -1 3 386.393 2.050 20 5 GEBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826463907 608105075 /nfs/dbraw/zinc/10/50/75/608105075.db2.gz ZHEIXJDEZMVYLH-UHFFFAOYSA-N -1 3 394.347 2.492 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826440673 608106635 /nfs/dbraw/zinc/10/66/35/608106635.db2.gz WNWMAGSFXZMUEW-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826440673 608106636 /nfs/dbraw/zinc/10/66/36/608106636.db2.gz WNWMAGSFXZMUEW-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM COc1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1-c1nnn[n-]1 ZINC000826200811 608107587 /nfs/dbraw/zinc/10/75/87/608107587.db2.gz JYANFFVTGHQVEX-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM COc1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1-c1nn[n-]n1 ZINC000826200811 608107588 /nfs/dbraw/zinc/10/75/88/608107588.db2.gz JYANFFVTGHQVEX-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM CC(C)n1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000824371571 608161119 /nfs/dbraw/zinc/16/11/19/608161119.db2.gz KJQIZRHGXPXGJH-UHFFFAOYSA-N -1 3 390.791 2.387 20 5 GEBDHM CC(C)n1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000824371571 608161121 /nfs/dbraw/zinc/16/11/21/608161121.db2.gz KJQIZRHGXPXGJH-UHFFFAOYSA-N -1 3 390.791 2.387 20 5 GEBDHM Cc1cc(C)n(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265016 608163268 /nfs/dbraw/zinc/16/32/68/608163268.db2.gz JLUBJGPFCFQIAX-UHFFFAOYSA-N -1 3 390.791 2.270 20 5 GEBDHM Cc1cc(C)n(CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265016 608163270 /nfs/dbraw/zinc/16/32/70/608163270.db2.gz JLUBJGPFCFQIAX-UHFFFAOYSA-N -1 3 390.791 2.270 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000826278457 608267636 /nfs/dbraw/zinc/26/76/36/608267636.db2.gz DEIZLQWTMCPJPM-UHFFFAOYSA-N -1 3 388.409 2.068 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000826278457 608267639 /nfs/dbraw/zinc/26/76/39/608267639.db2.gz DEIZLQWTMCPJPM-UHFFFAOYSA-N -1 3 388.409 2.068 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826172325 608350713 /nfs/dbraw/zinc/35/07/13/608350713.db2.gz ZLEDFVPSNKVVOW-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826172325 608350715 /nfs/dbraw/zinc/35/07/15/608350715.db2.gz ZLEDFVPSNKVVOW-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826112064 608392831 /nfs/dbraw/zinc/39/28/31/608392831.db2.gz RLYHAFRAQNLCOR-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826112064 608392833 /nfs/dbraw/zinc/39/28/33/608392833.db2.gz RLYHAFRAQNLCOR-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000826288166 608515351 /nfs/dbraw/zinc/51/53/51/608515351.db2.gz UIISIQAEGIXUSN-UHFFFAOYSA-N -1 3 379.424 2.406 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826441668 609318211 /nfs/dbraw/zinc/31/82/11/609318211.db2.gz OLHSKKJDDFDGOP-UHFFFAOYSA-N -1 3 392.297 2.322 20 5 GEBDHM O=C(N1CCc2ccc(-c3nnn[n-]3)cc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826426655 609332834 /nfs/dbraw/zinc/33/28/34/609332834.db2.gz SNIJCNKYAQYOBS-UHFFFAOYSA-N -1 3 386.318 2.456 20 5 GEBDHM O=C(N1CCc2ccc(-c3nn[n-]n3)cc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826426655 609332836 /nfs/dbraw/zinc/33/28/36/609332836.db2.gz SNIJCNKYAQYOBS-UHFFFAOYSA-N -1 3 386.318 2.456 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cccc(-c2nnn[n-]2)c1 ZINC000826408666 609397281 /nfs/dbraw/zinc/39/72/81/609397281.db2.gz QDCKWUXSOUQFDA-UHFFFAOYSA-N -1 3 398.335 2.359 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1cccc(-c2nn[n-]n2)c1 ZINC000826408666 609397283 /nfs/dbraw/zinc/39/72/83/609397283.db2.gz QDCKWUXSOUQFDA-UHFFFAOYSA-N -1 3 398.335 2.359 20 5 GEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826442672 609426073 /nfs/dbraw/zinc/42/60/73/609426073.db2.gz GMNLGWSYIPGULZ-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826442672 609426076 /nfs/dbraw/zinc/42/60/76/609426076.db2.gz GMNLGWSYIPGULZ-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826499888 609493191 /nfs/dbraw/zinc/49/31/91/609493191.db2.gz CUKIVIYOHRHTPJ-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826499888 609493195 /nfs/dbraw/zinc/49/31/95/609493195.db2.gz CUKIVIYOHRHTPJ-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000447028257 649994623 /nfs/dbraw/zinc/99/46/23/649994623.db2.gz NMGMQUJQPVWGSB-NWDGAFQWSA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOCC1CCOCC1 ZINC000525385658 650653453 /nfs/dbraw/zinc/65/34/53/650653453.db2.gz GLJJPANAFAKFCI-UHFFFAOYSA-N -1 3 392.861 2.360 20 5 GEBDHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000533984387 650767877 /nfs/dbraw/zinc/76/78/77/650767877.db2.gz BGMRZHZWBARGJX-UHFFFAOYSA-N -1 3 385.785 2.162 20 5 GEBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121483412 643633631 /nfs/dbraw/zinc/63/36/31/643633631.db2.gz HJAXQLKIQALZHB-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c1 ZINC000152216070 643964742 /nfs/dbraw/zinc/96/47/42/643964742.db2.gz GRZQTALFZNJCBA-AOOOYVTPSA-N -1 3 393.259 2.187 20 5 GEBDHM CCOCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173047120 644349117 /nfs/dbraw/zinc/34/91/17/644349117.db2.gz AWFIXAVHLJCYIB-UHFFFAOYSA-N -1 3 381.248 2.452 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCOCC2)c(Br)c1 ZINC000269445230 646034762 /nfs/dbraw/zinc/03/47/62/646034762.db2.gz AOMXMOFSBQIZGY-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM CSC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269773587 646055093 /nfs/dbraw/zinc/05/50/93/646055093.db2.gz NGVHUMHTXNUGGF-LLVKDONJSA-N -1 3 388.389 2.006 20 5 GEBDHM C[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000271214185 646180838 /nfs/dbraw/zinc/18/08/38/646180838.db2.gz BPLSBYBNFJDWDP-SNVBAGLBSA-N -1 3 383.451 2.177 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1)OCCO2 ZINC000281632182 646785785 /nfs/dbraw/zinc/78/57/85/646785785.db2.gz LVCCMYWRBCJDJN-SECBINFHSA-N -1 3 378.353 2.080 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000416484349 648143334 /nfs/dbraw/zinc/14/33/34/648143334.db2.gz SNIJZASCJMFUSQ-LLVKDONJSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486158 648144536 /nfs/dbraw/zinc/14/45/36/648144536.db2.gz DGYUAOAINSIOGG-TVQRCGJNSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC000416497247 648149521 /nfs/dbraw/zinc/14/95/21/648149521.db2.gz RJWNDUJOFGEQGQ-LBPRGKRZSA-N -1 3 380.344 2.461 20 5 GEBDHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000425187661 648669992 /nfs/dbraw/zinc/66/99/92/648669992.db2.gz GFLRCGBXTUWLJG-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000431849065 648772758 /nfs/dbraw/zinc/77/27/58/648772758.db2.gz QDKPDKWUCZYUMU-HZMBPMFUSA-N -1 3 384.435 2.485 20 5 GEBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443319328 648872697 /nfs/dbraw/zinc/87/26/97/648872697.db2.gz KAQYYXHNKSODCF-ZJUUUORDSA-N -1 3 395.275 2.433 20 5 GEBDHM CSCC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443484327 648879263 /nfs/dbraw/zinc/87/92/63/648879263.db2.gz CFZSAIZKVUZMTI-QMMMGPOBSA-N -1 3 388.389 2.006 20 5 GEBDHM CCc1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]n1 ZINC000738382761 651894780 /nfs/dbraw/zinc/89/47/80/651894780.db2.gz HHEKTMMFUAHKJQ-UHFFFAOYSA-N -1 3 389.231 2.121 20 5 GEBDHM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000751277218 652337747 /nfs/dbraw/zinc/33/77/47/652337747.db2.gz QXWLEHLSTRBKSO-JTQLQIEISA-N -1 3 381.248 2.043 20 5 GEBDHM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751451774 652352118 /nfs/dbraw/zinc/35/21/18/652352118.db2.gz YOZHOBUHGGWUOJ-JTQLQIEISA-N -1 3 381.248 2.187 20 5 GEBDHM CC1(O)CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000751480089 652355964 /nfs/dbraw/zinc/35/59/64/652355964.db2.gz URWUJXDKAZCNDF-UHFFFAOYSA-N -1 3 393.259 2.329 20 5 GEBDHM CC(C)[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000585708051 652534423 /nfs/dbraw/zinc/53/44/23/652534423.db2.gz KOSUBNJBFZTJJT-STQMWFEESA-N -1 3 384.376 2.005 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cccc([O-])c1Cl ZINC000590185383 652576371 /nfs/dbraw/zinc/57/63/71/652576371.db2.gz HCASHNVBJKCJSL-UHFFFAOYSA-N -1 3 385.829 2.022 20 5 GEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592104492 652586197 /nfs/dbraw/zinc/58/61/97/652586197.db2.gz KSDRTPJFYDYUSR-XWIASGKRSA-N -1 3 380.875 2.436 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN3CCCC[C@@H]23)cc1Cl ZINC000809808688 653296749 /nfs/dbraw/zinc/29/67/49/653296749.db2.gz DQAPEXVLSDZKBH-NEPJUHHUSA-N -1 3 377.825 2.292 20 5 GEBDHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859299353 653437437 /nfs/dbraw/zinc/43/74/37/653437437.db2.gz 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CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)COC1 ZINC000832488528 654269930 /nfs/dbraw/zinc/26/99/30/654269930.db2.gz PCLPYJJGXBXKOJ-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM Nc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000804690836 654317235 /nfs/dbraw/zinc/31/72/35/654317235.db2.gz IMEXTDKAIXQRHV-UHFFFAOYSA-N -1 3 388.808 2.360 20 5 GEBDHM CCc1ccc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921854585 654331198 /nfs/dbraw/zinc/33/11/98/654331198.db2.gz NPSQDCHNQSIANT-GXFFZTMASA-N -1 3 382.360 2.403 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000154853060 531637554 /nfs/dbraw/zinc/63/75/54/531637554.db2.gz FYATZTYAVJCYLW-UHFFFAOYSA-N -1 3 389.842 2.018 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000030530464 531639428 /nfs/dbraw/zinc/63/94/28/531639428.db2.gz BDUBEGNGGSTBOP-UHFFFAOYSA-N -1 3 388.398 2.247 20 5 GEBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000157182462 531732172 /nfs/dbraw/zinc/73/21/72/531732172.db2.gz PGJGBMCJPDTQNL-UHFFFAOYSA-N -1 3 378.332 2.338 20 5 GEBDHM O=C(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000053671713 531768863 /nfs/dbraw/zinc/76/88/63/531768863.db2.gz KGXCHFRPOLTMFM-UHFFFAOYSA-N -1 3 383.813 2.306 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)N(C)C1CC1 ZINC000163275815 531854882 /nfs/dbraw/zinc/85/48/82/531854882.db2.gz OUEZKFWSZIFKDT-SECBINFHSA-N -1 3 381.376 2.375 20 5 GEBDHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120770260 531994778 /nfs/dbraw/zinc/99/47/78/531994778.db2.gz CUQLURRDWOTCHV-RKDXNWHRSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000120960992 532004287 /nfs/dbraw/zinc/00/42/87/532004287.db2.gz SMVVKOXDGZENCB-IUCAKERBSA-N -1 3 379.232 2.061 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c1 ZINC000121358694 532024786 /nfs/dbraw/zinc/02/47/86/532024786.db2.gz SGCHLUMWIMWKFM-TVQRCGJNSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000123027267 532090276 /nfs/dbraw/zinc/09/02/76/532090276.db2.gz VGFUKNFKXDVVOT-UHFFFAOYSA-N -1 3 382.467 2.438 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000123194307 532095879 /nfs/dbraw/zinc/09/58/79/532095879.db2.gz GXECZAUYQBYOBX-UHFFFAOYSA-N -1 3 379.423 2.024 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000124066830 532113878 /nfs/dbraw/zinc/11/38/78/532113878.db2.gz DTCXTASSVJUPSA-NWDGAFQWSA-N -1 3 389.499 2.326 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000124067310 532114030 /nfs/dbraw/zinc/11/40/30/532114030.db2.gz DTCXTASSVJUPSA-VXGBXAGGSA-N -1 3 389.499 2.326 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000125565611 532138217 /nfs/dbraw/zinc/13/82/17/532138217.db2.gz OTGDSWLFBDVREM-UHFFFAOYSA-N -1 3 377.831 2.370 20 5 GEBDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000125153792 532132729 /nfs/dbraw/zinc/13/27/29/532132729.db2.gz ABJKOCCOLGDDSZ-UTSGRSJNSA-N -1 3 380.513 2.323 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000176678912 532145380 /nfs/dbraw/zinc/14/53/80/532145380.db2.gz BGGYPNZNXMOTPV-SECBINFHSA-N -1 3 377.850 2.138 20 5 GEBDHM C[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000129157385 532174315 /nfs/dbraw/zinc/17/43/15/532174315.db2.gz BBTCEVZDTGYDKF-VHSXEESVSA-N -1 3 375.472 2.261 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000134051556 532249247 /nfs/dbraw/zinc/24/92/47/532249247.db2.gz NQSKYWXTHNAJIC-BXKDBHETSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000180942413 532286514 /nfs/dbraw/zinc/28/65/14/532286514.db2.gz JEHGGCMHXNSBAB-LLVKDONJSA-N -1 3 384.845 2.272 20 5 GEBDHM CC(=O)N1CCC(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000183650187 532327101 /nfs/dbraw/zinc/32/71/01/532327101.db2.gz RUEKLCOMQAPPCR-UHFFFAOYSA-N -1 3 389.861 2.093 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1C ZINC000589922706 532363273 /nfs/dbraw/zinc/36/32/73/532363273.db2.gz NADVQRLNKUHMNF-GXFFZTMASA-N -1 3 382.360 2.336 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000517091391 532404730 /nfs/dbraw/zinc/40/47/30/532404730.db2.gz LMUDLSHCHXGDHN-UHFFFAOYSA-N -1 3 384.332 2.248 20 5 GEBDHM CN1CC=C(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295178698 532414574 /nfs/dbraw/zinc/41/45/74/532414574.db2.gz PKKQZJBWAOGDFS-UHFFFAOYSA-N -1 3 380.253 2.442 20 5 GEBDHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000467077987 532437413 /nfs/dbraw/zinc/43/74/13/532437413.db2.gz FAXBNCUGPVZXJA-LLVKDONJSA-N -1 3 384.435 2.255 20 5 GEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OC ZINC000592079234 532439287 /nfs/dbraw/zinc/43/92/87/532439287.db2.gz VDVZMWJOUKVZKB-MRVPVSSYSA-N -1 3 384.332 2.091 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000562016653 532456564 /nfs/dbraw/zinc/45/65/64/532456564.db2.gz XAOHYQUGBWKXIU-CZUORRHYSA-N -1 3 382.463 2.409 20 5 GEBDHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593654053 532493238 /nfs/dbraw/zinc/49/32/38/532493238.db2.gz PCDOSYKKDUVXIC-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(CO)CCC2)c(Br)c1 ZINC000593664937 532493996 /nfs/dbraw/zinc/49/39/96/532493996.db2.gz XRGIQLXATVTQHN-UHFFFAOYSA-N -1 3 393.259 2.188 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000594865303 532537850 /nfs/dbraw/zinc/53/78/50/532537850.db2.gz OSFQKCMHIBORBZ-SNVBAGLBSA-N -1 3 382.360 2.301 20 5 GEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 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CWEGHAPKXXBOEE-NOZJJQNGSA-N -1 3 393.259 2.451 20 5 GEBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443332683 532745576 /nfs/dbraw/zinc/74/55/76/532745576.db2.gz IJNXLOXKDUCCKL-ONGXEEELSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)Cc1ccc(F)cc1 ZINC000501157369 532738366 /nfs/dbraw/zinc/73/83/66/532738366.db2.gz XLWDCVNXXMZSET-ZDUSSCGKSA-N -1 3 388.804 2.269 20 5 GEBDHM Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ncc1[N+](=O)[O-] ZINC000301802194 532760066 /nfs/dbraw/zinc/76/00/66/532760066.db2.gz SWCCUOSJQWVGBR-UHFFFAOYSA-N -1 3 376.847 2.404 20 5 GEBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000286887314 532774420 /nfs/dbraw/zinc/77/44/20/532774420.db2.gz ZUMCQLANXFGHNU-UHFFFAOYSA-N -1 3 378.422 2.474 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000271276273 532806273 /nfs/dbraw/zinc/80/62/73/532806273.db2.gz PMULIMLZRCXJCQ-SCZZXKLOSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000271276277 532806652 /nfs/dbraw/zinc/80/66/52/532806652.db2.gz PMULIMLZRCXJCQ-WCBMZHEXSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000551125781 532799144 /nfs/dbraw/zinc/79/91/44/532799144.db2.gz NPNGUFDMCOCEMS-UHFFFAOYSA-N -1 3 379.366 2.440 20 5 GEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271198869 532804332 /nfs/dbraw/zinc/80/43/32/532804332.db2.gz BBOUSHOEVPZYAL-IUCAKERBSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271198865 532804664 /nfs/dbraw/zinc/80/46/64/532804664.db2.gz BBOUSHOEVPZYAL-BDAKNGLRSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330483032 532819195 /nfs/dbraw/zinc/81/91/95/532819195.db2.gz UYXSGAYXZOWPAH-STQMWFEESA-N -1 3 393.259 2.187 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ncc(C)s1 ZINC000273538604 532825988 /nfs/dbraw/zinc/82/59/88/532825988.db2.gz LDCQLEFKQPMBGQ-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331133734 532833668 /nfs/dbraw/zinc/83/36/68/532833668.db2.gz BWXJFUILWKSBPA-LLVKDONJSA-N -1 3 392.275 2.120 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ncc(C)s1 ZINC000276291673 532892611 /nfs/dbraw/zinc/89/26/11/532892611.db2.gz ZYBCRZWJSBWHIX-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1ccccc1[N+](=O)[O-] ZINC000737525606 598827489 /nfs/dbraw/zinc/82/74/89/598827489.db2.gz UPBGFXVIJDVDRT-UHFFFAOYSA-N -1 3 392.379 2.421 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1ccccc1[N+](=O)[O-] ZINC000737525606 598827491 /nfs/dbraw/zinc/82/74/91/598827491.db2.gz UPBGFXVIJDVDRT-UHFFFAOYSA-N -1 3 392.379 2.421 20 5 GEBDHM CS(=O)(=O)c1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821938211 599057000 /nfs/dbraw/zinc/05/70/00/599057000.db2.gz YPIRAVACAJTMPN-UHFFFAOYSA-N -1 3 395.397 2.469 20 5 GEBDHM CS(=O)(=O)c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821938211 599057003 /nfs/dbraw/zinc/05/70/03/599057003.db2.gz YPIRAVACAJTMPN-UHFFFAOYSA-N -1 3 395.397 2.469 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](COCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823648354 599063206 /nfs/dbraw/zinc/06/32/06/599063206.db2.gz VONDUKFKLLVYDF-AWEZNQCLSA-N -1 3 381.396 2.213 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823648354 599063208 /nfs/dbraw/zinc/06/32/08/599063208.db2.gz VONDUKFKLLVYDF-AWEZNQCLSA-N -1 3 381.396 2.213 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736692708 599085180 /nfs/dbraw/zinc/08/51/80/599085180.db2.gz WZPZNVDUEADEKR-UHFFFAOYSA-N -1 3 375.366 2.105 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000736692708 599085183 /nfs/dbraw/zinc/08/51/83/599085183.db2.gz WZPZNVDUEADEKR-UHFFFAOYSA-N -1 3 375.366 2.105 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823239097 599182782 /nfs/dbraw/zinc/18/27/82/599182782.db2.gz WPCQRIWAFUSKPS-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823239097 599182785 /nfs/dbraw/zinc/18/27/85/599182785.db2.gz WPCQRIWAFUSKPS-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988592 599203826 /nfs/dbraw/zinc/20/38/26/599203826.db2.gz PCFRHGFUEJIRFC-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988592 599203827 /nfs/dbraw/zinc/20/38/27/599203827.db2.gz PCFRHGFUEJIRFC-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM Cc1c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cccc1-c1nnn[n-]1 ZINC000822077811 607270890 /nfs/dbraw/zinc/27/08/90/607270890.db2.gz YKPSHDTUDFCANJ-UHFFFAOYSA-N -1 3 378.352 2.072 20 5 GEBDHM Cc1c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cccc1-c1nn[n-]n1 ZINC000822077811 607270891 /nfs/dbraw/zinc/27/08/91/607270891.db2.gz YKPSHDTUDFCANJ-UHFFFAOYSA-N -1 3 378.352 2.072 20 5 GEBDHM COC(=O)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc([N+](=O)[O-])c1 ZINC000821667006 607269518 /nfs/dbraw/zinc/26/95/18/607269518.db2.gz PUFVUVJTUNIWLW-UHFFFAOYSA-N -1 3 382.336 2.122 20 5 GEBDHM COC(=O)c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc([N+](=O)[O-])c1 ZINC000821667006 607269519 /nfs/dbraw/zinc/26/95/19/607269519.db2.gz PUFVUVJTUNIWLW-UHFFFAOYSA-N -1 3 382.336 2.122 20 5 GEBDHM Cc1cc(C)c(NC(=O)CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000822194262 599267919 /nfs/dbraw/zinc/26/79/19/599267919.db2.gz PNGGBSCRFVYAFJ-UHFFFAOYSA-N -1 3 396.411 2.170 20 5 GEBDHM Cc1cc(C)c(NC(=O)CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000822194262 599267921 /nfs/dbraw/zinc/26/79/21/599267921.db2.gz PNGGBSCRFVYAFJ-UHFFFAOYSA-N -1 3 396.411 2.170 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000823639993 607345798 /nfs/dbraw/zinc/34/57/98/607345798.db2.gz OLGGJBAQXNXRQO-UHFFFAOYSA-N -1 3 396.367 2.010 20 5 GEBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738286540 598237229 /nfs/dbraw/zinc/23/72/29/598237229.db2.gz QFNXUEYANSQGMM-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738286540 598237232 /nfs/dbraw/zinc/23/72/32/598237232.db2.gz QFNXUEYANSQGMM-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM CNC(=O)CCOc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736873262 598244855 /nfs/dbraw/zinc/24/48/55/598244855.db2.gz HUDMTZKVWPNLLV-UHFFFAOYSA-N -1 3 383.368 2.033 20 5 GEBDHM CNC(=O)CCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736873262 598244857 /nfs/dbraw/zinc/24/48/57/598244857.db2.gz HUDMTZKVWPNLLV-UHFFFAOYSA-N -1 3 383.368 2.033 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735635267 598246584 /nfs/dbraw/zinc/24/65/84/598246584.db2.gz AKABUQMFMWUBNY-LLVKDONJSA-N -1 3 389.416 2.126 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735635267 598246586 /nfs/dbraw/zinc/24/65/86/598246586.db2.gz AKABUQMFMWUBNY-LLVKDONJSA-N -1 3 389.416 2.126 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000737221357 598273471 /nfs/dbraw/zinc/27/34/71/598273471.db2.gz KBDWUNHJHUAWFQ-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000737221357 598273473 /nfs/dbraw/zinc/27/34/73/598273473.db2.gz KBDWUNHJHUAWFQ-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737283499 598289502 /nfs/dbraw/zinc/28/95/02/598289502.db2.gz SPVZVYPRTBXXIY-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737283499 598289504 /nfs/dbraw/zinc/28/95/04/598289504.db2.gz SPVZVYPRTBXXIY-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000736733533 598310020 /nfs/dbraw/zinc/31/00/20/598310020.db2.gz TVDNHYWSWXXYIT-UHFFFAOYSA-N -1 3 385.359 2.379 20 5 GEBDHM CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000736733533 598310021 /nfs/dbraw/zinc/31/00/21/598310021.db2.gz TVDNHYWSWXXYIT-UHFFFAOYSA-N -1 3 385.359 2.379 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2ncn(CCOc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000738366107 598377465 /nfs/dbraw/zinc/37/74/65/598377465.db2.gz CNXZQUYGMOMDRL-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2ncn(CCOc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000738366107 598377467 /nfs/dbraw/zinc/37/74/67/598377467.db2.gz CNXZQUYGMOMDRL-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM O=[N+]([O-])c1c(F)cccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738357073 598459289 /nfs/dbraw/zinc/45/92/89/598459289.db2.gz AASSKTRKMLFNQX-UHFFFAOYSA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1c(F)cccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738357073 598459290 /nfs/dbraw/zinc/45/92/90/598459290.db2.gz AASSKTRKMLFNQX-UHFFFAOYSA-N -1 3 384.375 2.390 20 5 GEBDHM COc1cc(OCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737050226 598484783 /nfs/dbraw/zinc/48/47/83/598484783.db2.gz BTRVRRZURQLNSA-NSHDSACASA-N -1 3 399.363 2.467 20 5 GEBDHM COc1cc(OCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737050226 598484786 /nfs/dbraw/zinc/48/47/86/598484786.db2.gz BTRVRRZURQLNSA-NSHDSACASA-N -1 3 399.363 2.467 20 5 GEBDHM CC(C)c1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)no1 ZINC000735940605 598500841 /nfs/dbraw/zinc/50/08/41/598500841.db2.gz RWQIBAVFFLDMNY-SNVBAGLBSA-N -1 3 385.388 2.060 20 5 GEBDHM CC(C)c1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)no1 ZINC000735940605 598500842 /nfs/dbraw/zinc/50/08/42/598500842.db2.gz RWQIBAVFFLDMNY-SNVBAGLBSA-N -1 3 385.388 2.060 20 5 GEBDHM Cc1cc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737242371 598531554 /nfs/dbraw/zinc/53/15/54/598531554.db2.gz OBDRRDQSXYZVGD-UHFFFAOYSA-N -1 3 398.379 2.291 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000737948181 598600277 /nfs/dbraw/zinc/60/02/77/598600277.db2.gz PTVXIGFAAROQSB-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000737948181 598600278 /nfs/dbraw/zinc/60/02/78/598600278.db2.gz PTVXIGFAAROQSB-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM Cc1cc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nc(C)n1 ZINC000737271011 598672812 /nfs/dbraw/zinc/67/28/12/598672812.db2.gz HRHHMJZSDGOBIW-CQSZACIVSA-N -1 3 395.427 2.263 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735628867 598676695 /nfs/dbraw/zinc/67/66/95/598676695.db2.gz ZWTAINCINAPLJB-SNVBAGLBSA-N -1 3 375.389 2.196 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735628867 598676697 /nfs/dbraw/zinc/67/66/97/598676697.db2.gz ZWTAINCINAPLJB-SNVBAGLBSA-N -1 3 375.389 2.196 20 5 GEBDHM COc1ccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c2c1 ZINC000737113739 598817545 /nfs/dbraw/zinc/81/75/45/598817545.db2.gz FSTCURGCXPEUDV-UHFFFAOYSA-N -1 3 380.368 2.314 20 5 GEBDHM COc1ccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c2c1 ZINC000737113739 598817547 /nfs/dbraw/zinc/81/75/47/598817547.db2.gz FSTCURGCXPEUDV-UHFFFAOYSA-N -1 3 380.368 2.314 20 5 GEBDHM Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822266766 599325994 /nfs/dbraw/zinc/32/59/94/599325994.db2.gz HRVAGZQJKOILGX-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822266766 599325996 /nfs/dbraw/zinc/32/59/96/599325996.db2.gz HRVAGZQJKOILGX-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639746 599380027 /nfs/dbraw/zinc/38/00/27/599380027.db2.gz GWSQGOKJCOIGHQ-SFHVURJKSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639746 599380030 /nfs/dbraw/zinc/38/00/30/599380030.db2.gz GWSQGOKJCOIGHQ-SFHVURJKSA-N -1 3 395.423 2.260 20 5 GEBDHM COc1ccc(Cl)cc1CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821824116 599385638 /nfs/dbraw/zinc/38/56/38/599385638.db2.gz HBOCVVYDPIKJIX-UHFFFAOYSA-N -1 3 375.776 2.468 20 5 GEBDHM COc1ccc(Cl)cc1CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821824116 599385641 /nfs/dbraw/zinc/38/56/41/599385641.db2.gz HBOCVVYDPIKJIX-UHFFFAOYSA-N -1 3 375.776 2.468 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000738368695 599425995 /nfs/dbraw/zinc/42/59/95/599425995.db2.gz IVTGQLUOSXMVNS-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000738368695 599425997 /nfs/dbraw/zinc/42/59/97/599425997.db2.gz IVTGQLUOSXMVNS-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000821669924 607378366 /nfs/dbraw/zinc/37/83/66/607378366.db2.gz FDAMMTVKKBWKNE-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])c(OCc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821669924 607378368 /nfs/dbraw/zinc/37/83/68/607378368.db2.gz FDAMMTVKKBWKNE-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820333775 599519542 /nfs/dbraw/zinc/51/95/42/599519542.db2.gz GBDDKAQRZJDXEI-NSHDSACASA-N -1 3 392.379 2.002 20 5 GEBDHM C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820333775 599519543 /nfs/dbraw/zinc/51/95/43/599519543.db2.gz GBDDKAQRZJDXEI-NSHDSACASA-N -1 3 392.379 2.002 20 5 GEBDHM COc1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000821845408 599648577 /nfs/dbraw/zinc/64/85/77/599648577.db2.gz FWFFEXURPNEQFB-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COc1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000821845408 599648578 /nfs/dbraw/zinc/64/85/78/599648578.db2.gz FWFFEXURPNEQFB-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000823445475 599649354 /nfs/dbraw/zinc/64/93/54/599649354.db2.gz XKKIDMBPIFOKMW-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000823445475 599649355 /nfs/dbraw/zinc/64/93/55/599649355.db2.gz XKKIDMBPIFOKMW-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM COc1ccc(OCCOC(=O)c2sccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821846242 599658990 /nfs/dbraw/zinc/65/89/90/599658990.db2.gz OMYMTPAFPCZALY-UHFFFAOYSA-N -1 3 391.365 2.081 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000826251897 607400068 /nfs/dbraw/zinc/40/00/68/607400068.db2.gz FRQHVKZBILEUKL-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000826251897 607400070 /nfs/dbraw/zinc/40/00/70/607400070.db2.gz FRQHVKZBILEUKL-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826272379 607466261 /nfs/dbraw/zinc/46/62/61/607466261.db2.gz GJFWOSDOCHDFIU-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826272379 607466263 /nfs/dbraw/zinc/46/62/63/607466263.db2.gz GJFWOSDOCHDFIU-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826401059 607468047 /nfs/dbraw/zinc/46/80/47/607468047.db2.gz OIDHOABUFVMSIL-FPYGCLRLSA-N -1 3 388.347 2.370 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826401059 607468049 /nfs/dbraw/zinc/46/80/49/607468049.db2.gz OIDHOABUFVMSIL-FPYGCLRLSA-N -1 3 388.347 2.370 20 5 GEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833118672 601734992 /nfs/dbraw/zinc/73/49/92/601734992.db2.gz OMXKAOJZVXUXIN-OAQYLSRUSA-N -1 3 397.431 2.373 20 5 GEBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826500595 607572653 /nfs/dbraw/zinc/57/26/53/607572653.db2.gz DLVWXJBOXPFHPV-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826499548 607599838 /nfs/dbraw/zinc/59/98/38/607599838.db2.gz MUYUIHNQWMVQKZ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825205468 607736014 /nfs/dbraw/zinc/73/60/14/607736014.db2.gz WGSBCAMNGAPDEE-ABAIWWIYSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825205468 607736015 /nfs/dbraw/zinc/73/60/15/607736015.db2.gz WGSBCAMNGAPDEE-ABAIWWIYSA-N -1 3 385.428 2.224 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826242870 607742028 /nfs/dbraw/zinc/74/20/28/607742028.db2.gz JTCLFCNGQWJCIE-UHFFFAOYSA-N -1 3 389.393 2.301 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000826242870 607742029 /nfs/dbraw/zinc/74/20/29/607742029.db2.gz JTCLFCNGQWJCIE-UHFFFAOYSA-N -1 3 389.393 2.301 20 5 GEBDHM C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833615059 605392401 /nfs/dbraw/zinc/39/24/01/605392401.db2.gz ZUCJRWUZYZWYRP-GFCCVEGCSA-N -1 3 399.469 2.082 20 5 GEBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000834183643 605440077 /nfs/dbraw/zinc/44/00/77/605440077.db2.gz PRAVVBLVSWFSGZ-HFBAOOFYSA-N -1 3 377.397 2.329 20 5 GEBDHM CCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCN(C(=O)[O-])CC1 ZINC000826897724 605483315 /nfs/dbraw/zinc/48/33/15/605483315.db2.gz NGYPPLFXPMQSBU-UHFFFAOYSA-N -1 3 390.440 2.338 20 5 GEBDHM Cc1cnc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c([N+](=O)[O-])c1 ZINC000822400105 606021473 /nfs/dbraw/zinc/02/14/73/606021473.db2.gz WSNDHEILORDPSM-UHFFFAOYSA-N -1 3 380.324 2.107 20 5 GEBDHM Cc1cnc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000822400105 606021475 /nfs/dbraw/zinc/02/14/75/606021475.db2.gz WSNDHEILORDPSM-UHFFFAOYSA-N -1 3 380.324 2.107 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819940260 606061009 /nfs/dbraw/zinc/06/10/09/606061009.db2.gz UXKYTEJFXUGGAX-LBPRGKRZSA-N -1 3 389.416 2.268 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819940260 606061013 /nfs/dbraw/zinc/06/10/13/606061013.db2.gz UXKYTEJFXUGGAX-LBPRGKRZSA-N -1 3 389.416 2.268 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000820548891 606129856 /nfs/dbraw/zinc/12/98/56/606129856.db2.gz HQNTXMUKAVBQPQ-JTQLQIEISA-N -1 3 387.327 2.425 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000820548891 606129857 /nfs/dbraw/zinc/12/98/57/606129857.db2.gz HQNTXMUKAVBQPQ-JTQLQIEISA-N -1 3 387.327 2.425 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000820548892 606129862 /nfs/dbraw/zinc/12/98/62/606129862.db2.gz HQNTXMUKAVBQPQ-SNVBAGLBSA-N -1 3 387.327 2.425 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000820548892 606129863 /nfs/dbraw/zinc/12/98/63/606129863.db2.gz HQNTXMUKAVBQPQ-SNVBAGLBSA-N -1 3 387.327 2.425 20 5 GEBDHM Cc1noc(CCCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822528191 606218744 /nfs/dbraw/zinc/21/87/44/606218744.db2.gz WRCIEGVWEMALCN-UHFFFAOYSA-N -1 3 381.356 2.059 20 5 GEBDHM Cc1noc(CCCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822528191 606218746 /nfs/dbraw/zinc/21/87/46/606218746.db2.gz WRCIEGVWEMALCN-UHFFFAOYSA-N -1 3 381.356 2.059 20 5 GEBDHM CCN(C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1)CC(F)(F)F ZINC000821206752 606240193 /nfs/dbraw/zinc/24/01/93/606240193.db2.gz DSLHLPVZPPBHDW-NSHDSACASA-N -1 3 399.377 2.485 20 5 GEBDHM CCN(C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1)CC(F)(F)F ZINC000821206752 606240195 /nfs/dbraw/zinc/24/01/95/606240195.db2.gz DSLHLPVZPPBHDW-NSHDSACASA-N -1 3 399.377 2.485 20 5 GEBDHM CC[C@@](C)(CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1OCCO1 ZINC000820854448 606240291 /nfs/dbraw/zinc/24/02/91/606240291.db2.gz UVFBQNUHVFFMMZ-INIZCTEOSA-N -1 3 377.405 2.151 20 5 GEBDHM CC[C@@](C)(CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1OCCO1 ZINC000820854448 606240293 /nfs/dbraw/zinc/24/02/93/606240293.db2.gz UVFBQNUHVFFMMZ-INIZCTEOSA-N -1 3 377.405 2.151 20 5 GEBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823071028 606326242 /nfs/dbraw/zinc/32/62/42/606326242.db2.gz YFWYKCREXFPWON-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823071028 606326244 /nfs/dbraw/zinc/32/62/44/606326244.db2.gz YFWYKCREXFPWON-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823646826 606379520 /nfs/dbraw/zinc/37/95/20/606379520.db2.gz AYBLKDAMEIBEDR-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823646826 606379522 /nfs/dbraw/zinc/37/95/22/606379522.db2.gz AYBLKDAMEIBEDR-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000821104735 606438096 /nfs/dbraw/zinc/43/80/96/606438096.db2.gz OTDYKJLPMDYUBG-UHFFFAOYSA-N -1 3 381.396 2.410 20 5 GEBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000821104735 606438098 /nfs/dbraw/zinc/43/80/98/606438098.db2.gz OTDYKJLPMDYUBG-UHFFFAOYSA-N -1 3 381.396 2.410 20 5 GEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc([N+](=O)[O-])o1 ZINC000823421855 606558002 /nfs/dbraw/zinc/55/80/02/606558002.db2.gz ISYRIZURQNWKMA-UHFFFAOYSA-N -1 3 381.251 2.326 20 5 GEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc([N+](=O)[O-])o1 ZINC000823421855 606558004 /nfs/dbraw/zinc/55/80/04/606558004.db2.gz ISYRIZURQNWKMA-UHFFFAOYSA-N -1 3 381.251 2.326 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820507798 606562385 /nfs/dbraw/zinc/56/23/85/606562385.db2.gz KPGKYBCLYJZYCH-QMMMGPOBSA-N -1 3 388.365 2.020 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820507798 606562386 /nfs/dbraw/zinc/56/23/86/606562386.db2.gz KPGKYBCLYJZYCH-QMMMGPOBSA-N -1 3 388.365 2.020 20 5 GEBDHM CC[C@H](N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920361 606621370 /nfs/dbraw/zinc/62/13/70/606621370.db2.gz PGNRKWWSENEIRI-JKSUJKDBSA-N -1 3 381.396 2.042 20 5 GEBDHM CC[C@H](N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920361 606621371 /nfs/dbraw/zinc/62/13/71/606621371.db2.gz PGNRKWWSENEIRI-JKSUJKDBSA-N -1 3 381.396 2.042 20 5 GEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000823621165 606700059 /nfs/dbraw/zinc/70/00/59/606700059.db2.gz XPIBHWHHEYQNSC-UHFFFAOYSA-N -1 3 398.402 2.386 20 5 GEBDHM O=C(C1CCCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822917442 606725483 /nfs/dbraw/zinc/72/54/83/606725483.db2.gz UOVROOZSJMISBE-ZDUSSCGKSA-N -1 3 385.428 2.368 20 5 GEBDHM O=C(C1CCCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822917442 606725484 /nfs/dbraw/zinc/72/54/84/606725484.db2.gz UOVROOZSJMISBE-ZDUSSCGKSA-N -1 3 385.428 2.368 20 5 GEBDHM Cc1nc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449992 606813080 /nfs/dbraw/zinc/81/30/80/606813080.db2.gz YAQABWYJPPJGKV-HNNXBMFYSA-N -1 3 394.395 2.086 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823635478 606856495 /nfs/dbraw/zinc/85/64/95/606856495.db2.gz XPMYVPJZPKBSQA-MRXNPFEDSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823635478 606856497 /nfs/dbraw/zinc/85/64/97/606856497.db2.gz XPMYVPJZPKBSQA-MRXNPFEDSA-N -1 3 377.364 2.372 20 5 GEBDHM CCc1nnc(NCCNc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821542101 606909964 /nfs/dbraw/zinc/90/99/64/606909964.db2.gz JBLUNMPVORTIJC-UHFFFAOYSA-N -1 3 383.416 2.214 20 5 GEBDHM CCc1nnc(NCCNc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821542101 606909965 /nfs/dbraw/zinc/90/99/65/606909965.db2.gz JBLUNMPVORTIJC-UHFFFAOYSA-N -1 3 383.416 2.214 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822271195 607024990 /nfs/dbraw/zinc/02/49/90/607024990.db2.gz QBDFGTHKLBUVHH-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822271195 607024991 /nfs/dbraw/zinc/02/49/91/607024991.db2.gz QBDFGTHKLBUVHH-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077994 607133620 /nfs/dbraw/zinc/13/36/20/607133620.db2.gz CYZMGMMHTODJOD-LSDHHAIUSA-N -1 3 397.395 2.241 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077994 607133622 /nfs/dbraw/zinc/13/36/22/607133622.db2.gz CYZMGMMHTODJOD-LSDHHAIUSA-N -1 3 397.395 2.241 20 5 GEBDHM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000820280928 607166713 /nfs/dbraw/zinc/16/67/13/607166713.db2.gz PNTULIMLZXPEJR-JTQLQIEISA-N -1 3 386.441 2.090 20 5 GEBDHM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000820280928 607166715 /nfs/dbraw/zinc/16/67/15/607166715.db2.gz PNTULIMLZXPEJR-JTQLQIEISA-N -1 3 386.441 2.090 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000823265658 607188688 /nfs/dbraw/zinc/18/86/88/607188688.db2.gz CUVLOFISGZJXHI-UHFFFAOYSA-N -1 3 390.363 2.095 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000823265658 607188689 /nfs/dbraw/zinc/18/86/89/607188689.db2.gz CUVLOFISGZJXHI-UHFFFAOYSA-N -1 3 390.363 2.095 20 5 GEBDHM CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376560 607798333 /nfs/dbraw/zinc/79/83/33/607798333.db2.gz JQXPYLPYOYVHQQ-UHFFFAOYSA-N -1 3 382.380 2.379 20 5 GEBDHM CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376560 607798334 /nfs/dbraw/zinc/79/83/34/607798334.db2.gz JQXPYLPYOYVHQQ-UHFFFAOYSA-N -1 3 382.380 2.379 20 5 GEBDHM CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825372193 607799770 /nfs/dbraw/zinc/79/97/70/607799770.db2.gz RZJGYPRZGRULAJ-UHFFFAOYSA-N -1 3 381.396 2.264 20 5 GEBDHM CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825372193 607799771 /nfs/dbraw/zinc/79/97/71/607799771.db2.gz RZJGYPRZGRULAJ-UHFFFAOYSA-N -1 3 381.396 2.264 20 5 GEBDHM Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)n1 ZINC000826299541 607841459 /nfs/dbraw/zinc/84/14/59/607841459.db2.gz KBJSTPCADIYMJA-CYBMUJFWSA-N -1 3 380.412 2.417 20 5 GEBDHM Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)n1 ZINC000826299541 607841460 /nfs/dbraw/zinc/84/14/60/607841460.db2.gz KBJSTPCADIYMJA-CYBMUJFWSA-N -1 3 380.412 2.417 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292836 607866930 /nfs/dbraw/zinc/86/69/30/607866930.db2.gz NZCGIURCFUNXAK-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826272534 607873140 /nfs/dbraw/zinc/87/31/40/607873140.db2.gz OPRFFVPYSBIUND-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)COc1ccccc1Cl ZINC000826499357 607876876 /nfs/dbraw/zinc/87/68/76/607876876.db2.gz FSSPOGQWJLHGQC-JTQLQIEISA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COc1ccccc1Cl ZINC000826499357 607876877 /nfs/dbraw/zinc/87/68/77/607876877.db2.gz FSSPOGQWJLHGQC-JTQLQIEISA-N -1 3 391.771 2.247 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826401658 607956911 /nfs/dbraw/zinc/95/69/11/607956911.db2.gz DFHFRPKJANXZLM-CMDGGOBGSA-N -1 3 376.376 2.373 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826401658 607956912 /nfs/dbraw/zinc/95/69/12/607956912.db2.gz DFHFRPKJANXZLM-CMDGGOBGSA-N -1 3 376.376 2.373 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCc2c1cccc2[N+](=O)[O-] ZINC000826176402 607957251 /nfs/dbraw/zinc/95/72/51/607957251.db2.gz NVDDWUACSOJJDB-UHFFFAOYSA-N -1 3 382.380 2.225 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCc2c1cccc2[N+](=O)[O-] ZINC000826176402 607957252 /nfs/dbraw/zinc/95/72/52/607957252.db2.gz NVDDWUACSOJJDB-UHFFFAOYSA-N -1 3 382.380 2.225 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2cccc(C(F)(F)F)n2)c(-c2nnn[n-]2)c1 ZINC000826500756 607967654 /nfs/dbraw/zinc/96/76/54/607967654.db2.gz LDZRHLKMXKRLFU-UHFFFAOYSA-N -1 3 396.289 2.075 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2cccc(C(F)(F)F)n2)c(-c2nn[n-]n2)c1 ZINC000826500756 607967655 /nfs/dbraw/zinc/96/76/55/607967655.db2.gz LDZRHLKMXKRLFU-UHFFFAOYSA-N -1 3 396.289 2.075 20 5 GEBDHM O=C1C[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479416 607969104 /nfs/dbraw/zinc/96/91/04/607969104.db2.gz XWFOWFRKZMDACU-AWEZNQCLSA-N -1 3 393.407 2.236 20 5 GEBDHM O=C1C[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479416 607969105 /nfs/dbraw/zinc/96/91/05/607969105.db2.gz XWFOWFRKZMDACU-AWEZNQCLSA-N -1 3 393.407 2.236 20 5 GEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826164225 608052302 /nfs/dbraw/zinc/05/23/02/608052302.db2.gz JCGGLMUSZVZEPD-SFHVURJKSA-N -1 3 396.407 2.499 20 5 GEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826164225 608052303 /nfs/dbraw/zinc/05/23/03/608052303.db2.gz JCGGLMUSZVZEPD-SFHVURJKSA-N -1 3 396.407 2.499 20 5 GEBDHM COc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826180602 608052388 /nfs/dbraw/zinc/05/23/88/608052388.db2.gz ORGVJQZRFYVAOA-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1cc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826180602 608052389 /nfs/dbraw/zinc/05/23/89/608052389.db2.gz ORGVJQZRFYVAOA-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2ccccn21 ZINC000826497558 608052746 /nfs/dbraw/zinc/05/27/46/608052746.db2.gz LEQYQSYAZFRJEA-CQSZACIVSA-N -1 3 392.379 2.001 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2ccccn21 ZINC000826497558 608052747 /nfs/dbraw/zinc/05/27/47/608052747.db2.gz LEQYQSYAZFRJEA-CQSZACIVSA-N -1 3 392.379 2.001 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2sccn21 ZINC000826497734 608052929 /nfs/dbraw/zinc/05/29/29/608052929.db2.gz SJHHLKYYVMGCBK-GFCCVEGCSA-N -1 3 398.408 2.062 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2sccn21 ZINC000826497734 608052930 /nfs/dbraw/zinc/05/29/30/608052930.db2.gz SJHHLKYYVMGCBK-GFCCVEGCSA-N -1 3 398.408 2.062 20 5 GEBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826470226 608086694 /nfs/dbraw/zinc/08/66/94/608086694.db2.gz ISJHLXONKLKHAX-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826470226 608086695 /nfs/dbraw/zinc/08/66/95/608086695.db2.gz ISJHLXONKLKHAX-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415986 608116907 /nfs/dbraw/zinc/11/69/07/608116907.db2.gz CKDVPJSLDVKXSA-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415986 608116908 /nfs/dbraw/zinc/11/69/08/608116908.db2.gz CKDVPJSLDVKXSA-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM CC(=CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942521 608141526 /nfs/dbraw/zinc/14/15/26/608141526.db2.gz FANIEOVVOVRZCL-VAWYXSNFSA-N -1 3 395.379 2.229 20 5 GEBDHM CC(=CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942521 608141527 /nfs/dbraw/zinc/14/15/27/608141527.db2.gz FANIEOVVOVRZCL-VAWYXSNFSA-N -1 3 395.379 2.229 20 5 GEBDHM COc1ccc([C@@H](OC)[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189689 608239372 /nfs/dbraw/zinc/23/93/72/608239372.db2.gz BMUPLTSJLOYADZ-BONVTDFDSA-N -1 3 385.384 2.367 20 5 GEBDHM COc1ccc([C@@H](OC)[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189689 608239374 /nfs/dbraw/zinc/23/93/74/608239374.db2.gz BMUPLTSJLOYADZ-BONVTDFDSA-N -1 3 385.384 2.367 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3COC4(CCCC4)O3)cc(-c3nnn[n-]3)c2c1 ZINC000826499745 608295505 /nfs/dbraw/zinc/29/55/05/608295505.db2.gz VNLXDFRAVHZAKJ-LBPRGKRZSA-N -1 3 397.395 2.421 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3COC4(CCCC4)O3)cc(-c3nn[n-]n3)c2c1 ZINC000826499745 608295506 /nfs/dbraw/zinc/29/55/06/608295506.db2.gz VNLXDFRAVHZAKJ-LBPRGKRZSA-N -1 3 397.395 2.421 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3c4ccccc4C[C@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000826499627 608376522 /nfs/dbraw/zinc/37/65/22/608376522.db2.gz QEOSBJQIEMFPAB-AEFFLSMTSA-N -1 3 389.375 2.393 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3c4ccccc4C[C@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000826499627 608376525 /nfs/dbraw/zinc/37/65/25/608376525.db2.gz QEOSBJQIEMFPAB-AEFFLSMTSA-N -1 3 389.375 2.393 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000824731341 608433193 /nfs/dbraw/zinc/43/31/93/608433193.db2.gz UQBCAXLTUVLUFB-VXGBXAGGSA-N -1 3 382.380 2.420 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826500072 608509346 /nfs/dbraw/zinc/50/93/46/608509346.db2.gz KAYSCIYZZOVJNK-GQCTYLIASA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826500072 608509347 /nfs/dbraw/zinc/50/93/47/608509347.db2.gz KAYSCIYZZOVJNK-GQCTYLIASA-N -1 3 392.423 2.005 20 5 GEBDHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867295 608545401 /nfs/dbraw/zinc/54/54/01/608545401.db2.gz OZVCJVLBLFNOMF-HTQZYQBOSA-N -1 3 378.776 2.372 20 5 GEBDHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867295 608545403 /nfs/dbraw/zinc/54/54/03/608545403.db2.gz OZVCJVLBLFNOMF-HTQZYQBOSA-N -1 3 378.776 2.372 20 5 GEBDHM CCc1nn(C)c(NCCSCc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825759952 608769081 /nfs/dbraw/zinc/76/90/81/608769081.db2.gz QCBAUWGNMFBGML-UHFFFAOYSA-N -1 3 388.457 2.416 20 5 GEBDHM CCc1nn(C)c(NCCSCc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825759952 608769083 /nfs/dbraw/zinc/76/90/83/608769083.db2.gz QCBAUWGNMFBGML-UHFFFAOYSA-N -1 3 388.457 2.416 20 5 GEBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000824669196 609164795 /nfs/dbraw/zinc/16/47/95/609164795.db2.gz AVYMCWHXZVIYRO-CYBMUJFWSA-N -1 3 383.290 2.048 20 5 GEBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000824669196 609164797 /nfs/dbraw/zinc/16/47/97/609164797.db2.gz AVYMCWHXZVIYRO-CYBMUJFWSA-N -1 3 383.290 2.048 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc2nccn21 ZINC000826451130 609238156 /nfs/dbraw/zinc/23/81/56/609238156.db2.gz RDVDRNBAFFMJTF-UHFFFAOYSA-N -1 3 384.743 2.328 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc2nccn21 ZINC000826451130 609238158 /nfs/dbraw/zinc/23/81/58/609238158.db2.gz RDVDRNBAFFMJTF-UHFFFAOYSA-N -1 3 384.743 2.328 20 5 GEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826483428 609303794 /nfs/dbraw/zinc/30/37/94/609303794.db2.gz NHFZVDADMMWYBF-VGOFMYFVSA-N -1 3 380.295 2.259 20 5 GEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826483428 609303796 /nfs/dbraw/zinc/30/37/96/609303796.db2.gz NHFZVDADMMWYBF-VGOFMYFVSA-N -1 3 380.295 2.259 20 5 GEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(N2CCCC2)n1 ZINC000826288316 609312827 /nfs/dbraw/zinc/31/28/27/609312827.db2.gz AVVGOSBDYKNWGP-UHFFFAOYSA-N -1 3 381.400 2.086 20 5 GEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(N2CCCC2)n1 ZINC000826288316 609312829 /nfs/dbraw/zinc/31/28/29/609312829.db2.gz AVVGOSBDYKNWGP-UHFFFAOYSA-N -1 3 381.400 2.086 20 5 GEBDHM C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824513268 609385224 /nfs/dbraw/zinc/38/52/24/609385224.db2.gz AMAGLMQAFGIUDJ-QMMMGPOBSA-N -1 3 396.392 2.271 20 5 GEBDHM C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824513268 609385225 /nfs/dbraw/zinc/38/52/25/609385225.db2.gz AMAGLMQAFGIUDJ-QMMMGPOBSA-N -1 3 396.392 2.271 20 5 GEBDHM CN(Cc1ncc(Cl)n1C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825999261 609435173 /nfs/dbraw/zinc/43/51/73/609435173.db2.gz UBQQGSAAOOKKKD-UHFFFAOYSA-N -1 3 399.802 2.346 20 5 GEBDHM CN(Cc1ncc(Cl)n1C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825999261 609435176 /nfs/dbraw/zinc/43/51/76/609435176.db2.gz UBQQGSAAOOKKKD-UHFFFAOYSA-N -1 3 399.802 2.346 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000826499639 609489333 /nfs/dbraw/zinc/48/93/33/609489333.db2.gz QOMBPWVJPUFAOE-UHFFFAOYSA-N -1 3 391.434 2.341 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000826499639 609489335 /nfs/dbraw/zinc/48/93/35/609489335.db2.gz QOMBPWVJPUFAOE-UHFFFAOYSA-N -1 3 391.434 2.341 20 5 GEBDHM CC(=CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943925 609501438 /nfs/dbraw/zinc/50/14/38/609501438.db2.gz VFARKBNCCGYVFG-SEYXRHQNSA-N -1 3 394.391 2.373 20 5 GEBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826498294 609561086 /nfs/dbraw/zinc/56/10/86/609561086.db2.gz ORBVSPWJRXENCH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826498294 609561089 /nfs/dbraw/zinc/56/10/89/609561089.db2.gz ORBVSPWJRXENCH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478288 609577723 /nfs/dbraw/zinc/57/77/23/609577723.db2.gz YKKVQRSISQWQFG-MRXNPFEDSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478288 609577726 /nfs/dbraw/zinc/57/77/26/609577726.db2.gz YKKVQRSISQWQFG-MRXNPFEDSA-N -1 3 379.380 2.382 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nccs2)c(Br)c1 ZINC000447034098 649995114 /nfs/dbraw/zinc/99/51/14/649995114.db2.gz OVJGZWPOAUFLKM-UHFFFAOYSA-N -1 3 392.256 2.335 20 5 GEBDHM COc1cc2c(cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)O[C@@H](C)C2 ZINC000448170635 650014239 /nfs/dbraw/zinc/01/42/39/650014239.db2.gz RCGDQAJUTYTKRV-VIFPVBQESA-N -1 3 384.435 2.467 20 5 GEBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000462133370 650470538 /nfs/dbraw/zinc/47/05/38/650470538.db2.gz YSHZTQXMJVSLLD-ZDUSSCGKSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000462357899 650477152 /nfs/dbraw/zinc/47/71/52/650477152.db2.gz KEJGLBWORNTXJR-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000462435157 650479326 /nfs/dbraw/zinc/47/93/26/650479326.db2.gz DTVZDYCFNKCUSJ-UHFFFAOYSA-N -1 3 375.328 2.403 20 5 GEBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000510995676 650522892 /nfs/dbraw/zinc/52/28/92/650522892.db2.gz HXLIQVBYCRYDET-ZCFIWIBFSA-N -1 3 379.320 2.080 20 5 GEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000482210126 650662216 /nfs/dbraw/zinc/66/22/16/650662216.db2.gz LHESCQCBTABSOP-UHFFFAOYSA-N -1 3 394.107 2.424 20 5 GEBDHM O=C1[N-]C(=O)C(=CNc2ncc(Br)cc2[N+](=O)[O-])c2ccccc21 ZINC000016720342 642391781 /nfs/dbraw/zinc/39/17/81/642391781.db2.gz HBDAKFHJKKMXSM-YRNVUSSQSA-N -1 3 389.165 2.475 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000121768355 643639717 /nfs/dbraw/zinc/63/97/17/643639717.db2.gz HCBJOPFTJKZLRS-KOLCDFICSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c(Br)c1 ZINC000125513583 643708313 /nfs/dbraw/zinc/70/83/13/643708313.db2.gz QJVLPLVPDBTVJS-UHFFFAOYSA-N -1 3 387.215 2.366 20 5 GEBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272153959 646257434 /nfs/dbraw/zinc/25/74/34/646257434.db2.gz MKOMJKIQUBCNDI-UHFFFAOYSA-N -1 3 393.252 2.465 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1 ZINC000416409658 648115606 /nfs/dbraw/zinc/11/56/06/648115606.db2.gz VNYSNYFVOOWZFO-ONGXEEELSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000416476146 648139528 /nfs/dbraw/zinc/13/95/28/648139528.db2.gz XAHGBOXBRMZERN-GXSJLCMTSA-N -1 3 382.360 2.443 20 5 GEBDHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000435637366 648783707 /nfs/dbraw/zinc/78/37/07/648783707.db2.gz NADZFVWFULCBAY-KOLCDFICSA-N -1 3 376.818 2.258 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c(Cl)c1 ZINC000553904637 651193399 /nfs/dbraw/zinc/19/33/99/651193399.db2.gz DTHNKFKLUCVWHM-UHFFFAOYSA-N -1 3 378.744 2.454 20 5 GEBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000612684548 651765355 /nfs/dbraw/zinc/76/53/55/651765355.db2.gz SZKPEHCXKVWFEC-ZNMIVQPWSA-N -1 3 390.845 2.253 20 5 GEBDHM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000751222722 652332108 /nfs/dbraw/zinc/33/21/08/652332108.db2.gz PHMMQJBSDDHATF-AWEZNQCLSA-N -1 3 386.813 2.269 20 5 GEBDHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000759792352 652586736 /nfs/dbraw/zinc/58/67/36/652586736.db2.gz HGQSNCRFHXCHMW-ZJUUUORDSA-N -1 3 393.259 2.451 20 5 GEBDHM COC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000593600984 652628368 /nfs/dbraw/zinc/62/83/68/652628368.db2.gz JMVGDVLSWLFZOS-GFCCVEGCSA-N -1 3 385.829 2.352 20 5 GEBDHM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594808030 652684771 /nfs/dbraw/zinc/68/47/71/652684771.db2.gz JHUXXYXWNAJFJB-RTXFEEFZSA-N -1 3 392.861 2.093 20 5 GEBDHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000762340095 652686631 /nfs/dbraw/zinc/68/66/31/652686631.db2.gz QMZMWEIHWFDYQI-GZMMTYOYSA-N -1 3 379.232 2.061 20 5 GEBDHM CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000595360226 652715222 /nfs/dbraw/zinc/71/52/22/652715222.db2.gz BHTZKLFFLWGDNC-SNVBAGLBSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)F ZINC000599397661 652866375 /nfs/dbraw/zinc/86/63/75/652866375.db2.gz MADOBDOEIPUIJO-JTQLQIEISA-N -1 3 383.804 2.256 20 5 GEBDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000774799150 653258415 /nfs/dbraw/zinc/25/84/15/653258415.db2.gz RMLHFHSNHHUZHB-JOYOIKCWSA-N -1 3 393.259 2.451 20 5 GEBDHM Cn1cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])nc1Cl ZINC000778049051 653422550 /nfs/dbraw/zinc/42/25/50/653422550.db2.gz DTWUWCQLBPPVRM-UHFFFAOYSA-N -1 3 379.225 2.156 20 5 GEBDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859299352 653437556 /nfs/dbraw/zinc/43/75/56/653437556.db2.gz QDJMMDDEAGBJAD-JTQLQIEISA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)c1nsc([N-]C(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000813368783 653477105 /nfs/dbraw/zinc/47/71/05/653477105.db2.gz CSPZCCYUXQPYBV-UHFFFAOYSA-N -1 3 387.171 2.248 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC000779939971 653617141 /nfs/dbraw/zinc/61/71/41/653617141.db2.gz NRTJDQVSFZLLDB-NXEZZACHSA-N -1 3 393.259 2.451 20 5 GEBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000815079325 653650023 /nfs/dbraw/zinc/65/00/23/653650023.db2.gz PIXJZLYWOUEIEL-LLVKDONJSA-N -1 3 379.232 2.061 20 5 GEBDHM COCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000790461803 653792667 /nfs/dbraw/zinc/79/26/67/653792667.db2.gz XGLAOHXJHYPPLM-UHFFFAOYSA-N -1 3 379.232 2.205 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@]1(C)C[C@]1(F)Cl ZINC000845976613 653875918 /nfs/dbraw/zinc/87/59/18/653875918.db2.gz RPZMLMWWIFCAJY-ZIAGYGMSSA-N -1 3 394.808 2.364 20 5 GEBDHM Cc1cc(=O)[n-]c(N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)n1 ZINC000884705580 653885554 /nfs/dbraw/zinc/88/55/54/653885554.db2.gz ZUAMELKYVHYVAR-UHFFFAOYSA-N -1 3 394.229 2.488 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826224189 653948233 /nfs/dbraw/zinc/94/82/33/653948233.db2.gz SQLNQOBKTRNCQK-UHFFFAOYSA-N -1 3 383.436 2.391 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826224189 653948234 /nfs/dbraw/zinc/94/82/34/653948234.db2.gz SQLNQOBKTRNCQK-UHFFFAOYSA-N -1 3 383.436 2.391 20 5 GEBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795940984 653978708 /nfs/dbraw/zinc/97/87/08/653978708.db2.gz ZNZVEWMONFOSGC-UHFFFAOYSA-N -1 3 398.254 2.115 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1nccn1C ZINC000851856686 654192897 /nfs/dbraw/zinc/19/28/97/654192897.db2.gz YRVXUKAMVGONHD-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831728962 654204114 /nfs/dbraw/zinc/20/41/14/654204114.db2.gz LDEMDHRPHFUXKH-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCn3ccnc32)c(C(F)(F)F)c1 ZINC000831738613 654205322 /nfs/dbraw/zinc/20/53/22/654205322.db2.gz MONSJPICIUARMB-JTQLQIEISA-N -1 3 376.316 2.233 20 5 GEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000831764684 654207605 /nfs/dbraw/zinc/20/76/05/654207605.db2.gz ZDGMWDASMBRWMT-JTQLQIEISA-N -1 3 381.248 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2COC[C@H]2C2CC2)c1 ZINC000908406712 654626782 /nfs/dbraw/zinc/62/67/82/654626782.db2.gz CLXVVFMGRCHHNN-JQWIXIFHSA-N -1 3 391.243 2.061 20 5 GEBDHM Cc1nnc([N-]C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 ZINC000014715979 531566309 /nfs/dbraw/zinc/56/63/09/531566309.db2.gz TZUZCAUMEVMCAE-UHFFFAOYSA-N -1 3 377.411 2.287 20 5 GEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000152847328 531575781 /nfs/dbraw/zinc/57/57/81/531575781.db2.gz CHAUKLUBVNGRAE-UHFFFAOYSA-N -1 3 398.750 2.442 20 5 GEBDHM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c[nH]c1=O ZINC000158312304 531776555 /nfs/dbraw/zinc/77/65/55/531776555.db2.gz JNTFWZHANDMSLG-UHFFFAOYSA-N -1 3 388.199 2.155 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C[C@H](C)O ZINC000120707449 531990895 /nfs/dbraw/zinc/99/08/95/531990895.db2.gz ZBKDLLTYUWCNRN-BDAKNGLRSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122939150 532087109 /nfs/dbraw/zinc/08/71/09/532087109.db2.gz BYQAMKIKKIHJNS-PHIMTYICSA-N -1 3 391.515 2.131 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCCN2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000122943956 532088247 /nfs/dbraw/zinc/08/82/47/532088247.db2.gz DEFJIWNTLUBKGS-UHFFFAOYSA-N -1 3 375.472 2.036 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000123935391 532111082 /nfs/dbraw/zinc/11/10/82/532111082.db2.gz CEVJXDVHWUILBH-LBPRGKRZSA-N -1 3 381.435 2.049 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000176672908 532145413 /nfs/dbraw/zinc/14/54/13/532145413.db2.gz WXWWNOIJQBJMRK-UHFFFAOYSA-N -1 3 389.861 2.238 20 5 GEBDHM O=c1c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cccn1CC(F)(F)F ZINC000132805918 532221671 /nfs/dbraw/zinc/22/16/71/532221671.db2.gz YYAKVBOTROUABX-UHFFFAOYSA-N -1 3 377.300 2.120 20 5 GEBDHM O=c1c(Br)cn(Cc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000132835308 532221905 /nfs/dbraw/zinc/22/19/05/532221905.db2.gz DWSVZXJSDQCNKS-UHFFFAOYSA-N -1 3 393.153 2.323 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c(C(F)(F)F)c1 ZINC000190640432 532357294 /nfs/dbraw/zinc/35/72/94/532357294.db2.gz UFNGFSAYNXXTOE-YUSALJHKSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1C ZINC000589922707 532365272 /nfs/dbraw/zinc/36/52/72/532365272.db2.gz NADVQRLNKUHMNF-MFKMUULPSA-N -1 3 382.360 2.336 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000464188719 532391973 /nfs/dbraw/zinc/39/19/73/532391973.db2.gz PRQDHYGDAXIUKJ-UHFFFAOYSA-N -1 3 384.797 2.418 20 5 GEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000591328579 532408296 /nfs/dbraw/zinc/40/82/96/532408296.db2.gz VTUAAEGFWKFRPZ-UHFFFAOYSA-N -1 3 378.353 2.238 20 5 GEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000561472467 532440784 /nfs/dbraw/zinc/44/07/84/532440784.db2.gz HQSARFSZRKFOHV-UHFFFAOYSA-N -1 3 384.439 2.223 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000562016652 532455698 /nfs/dbraw/zinc/45/56/98/532455698.db2.gz XAOHYQUGBWKXIU-CJNGLKHVSA-N -1 3 382.463 2.409 20 5 GEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000593559024 532488654 /nfs/dbraw/zinc/48/86/54/532488654.db2.gz VUNFEAHDEOSLCE-AWEZNQCLSA-N -1 3 384.845 2.224 20 5 GEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000593559025 532488677 /nfs/dbraw/zinc/48/86/77/532488677.db2.gz VUNFEAHDEOSLCE-CQSZACIVSA-N -1 3 384.845 2.224 20 5 GEBDHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593654126 532492677 /nfs/dbraw/zinc/49/26/77/532492677.db2.gz JSNZGNRMAPHSBT-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000296113521 532503261 /nfs/dbraw/zinc/50/32/61/532503261.db2.gz HEZROIBJHOVMRN-VIFPVBQESA-N -1 3 386.348 2.239 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000431618200 532519120 /nfs/dbraw/zinc/51/91/20/532519120.db2.gz CIZGUGVUFZJHPJ-QMMMGPOBSA-N -1 3 387.215 2.187 20 5 GEBDHM C[C@@]1(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594858950 532536429 /nfs/dbraw/zinc/53/64/29/532536429.db2.gz VSEZXJJWBFBXBM-CYBMUJFWSA-N -1 3 378.353 2.080 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000594862401 532536599 /nfs/dbraw/zinc/53/65/99/532536599.db2.gz CSNRICPSPQFKIM-RYUDHWBXSA-N -1 3 380.344 2.195 20 5 GEBDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000594863765 532538055 /nfs/dbraw/zinc/53/80/55/532538055.db2.gz RSHBSHYPTIJVIQ-CYBMUJFWSA-N -1 3 382.797 2.126 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1 ZINC000594866127 532538343 /nfs/dbraw/zinc/53/83/43/532538343.db2.gz OBDGUBHLUDVNEB-JTQLQIEISA-N -1 3 382.360 2.301 20 5 GEBDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594702457 532521108 /nfs/dbraw/zinc/52/11/08/532521108.db2.gz YKEVKDNDJWVXIC-LLVKDONJSA-N -1 3 384.332 2.066 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000594840387 532532933 /nfs/dbraw/zinc/53/29/33/532532933.db2.gz OJFFFYAXOHOICB-JTQLQIEISA-N -1 3 390.286 2.316 20 5 GEBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(F)F ZINC000599521503 532664400 /nfs/dbraw/zinc/66/44/00/532664400.db2.gz JXUOHIMTVZMYSH-UHFFFAOYSA-N -1 3 391.318 2.089 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599372892 532659014 /nfs/dbraw/zinc/65/90/14/532659014.db2.gz ORKCSHKUYXETSC-LBPRGKRZSA-N -1 3 378.332 2.182 20 5 GEBDHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000534902969 532674119 /nfs/dbraw/zinc/67/41/19/532674119.db2.gz JJVYPKWABIZYGP-SECBINFHSA-N -1 3 386.760 2.032 20 5 GEBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000266202253 532706585 /nfs/dbraw/zinc/70/65/85/532706585.db2.gz OROWKUGHZABISY-UHFFFAOYSA-N -1 3 380.875 2.439 20 5 GEBDHM O=C([N-]c1ncc(F)cc1I)c1ccc([N+](=O)[O-])cn1 ZINC000540758946 532743959 /nfs/dbraw/zinc/74/39/59/532743959.db2.gz PCROUZYEYDZGLZ-UHFFFAOYSA-N -1 3 388.096 2.381 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000451607376 532766935 /nfs/dbraw/zinc/76/69/35/532766935.db2.gz KRFXACACJFSLIZ-UHFFFAOYSA-N -1 3 376.406 2.228 20 5 GEBDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000510485978 532774170 /nfs/dbraw/zinc/77/41/70/532774170.db2.gz SUOSINFLAYZWCP-VHSXEESVSA-N -1 3 393.259 2.308 20 5 GEBDHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000549556763 532794760 /nfs/dbraw/zinc/79/47/60/532794760.db2.gz PGKGIWVHBBGNLB-ZANVPECISA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271288242 532807219 /nfs/dbraw/zinc/80/72/19/532807219.db2.gz SGWXFZRPMSRDCD-NXEZZACHSA-N -1 3 393.259 2.451 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CO[C@H]2CCOC2)c1 ZINC000272494777 532816528 /nfs/dbraw/zinc/81/65/28/532816528.db2.gz QJXOZCFDUZRFMC-QWRGUYRKSA-N -1 3 378.834 2.029 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H]1C ZINC000330432504 532818670 /nfs/dbraw/zinc/81/86/70/532818670.db2.gz KEHXKTQJHIDNLA-GHMZBOCLSA-N -1 3 389.861 2.316 20 5 GEBDHM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330483026 532819009 /nfs/dbraw/zinc/81/90/09/532819009.db2.gz UYXSGAYXZOWPAH-CHWSQXEVSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000330481676 532819123 /nfs/dbraw/zinc/81/91/23/532819123.db2.gz SCGMOWUJEJVRGH-QWHCGFSZSA-N -1 3 393.259 2.187 20 5 GEBDHM CN(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414465247 532829566 /nfs/dbraw/zinc/82/95/66/532829566.db2.gz QIVRTCXGHZHHSN-QWRGUYRKSA-N -1 3 381.376 2.375 20 5 GEBDHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000330979314 532831303 /nfs/dbraw/zinc/83/13/03/532831303.db2.gz GKIRNPAAYYVHJT-WPRPVWTQSA-N -1 3 379.232 2.203 20 5 GEBDHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000332508846 532856977 /nfs/dbraw/zinc/85/69/77/532856977.db2.gz YQGINNUMCUDYJB-HIFRSBDPSA-N -1 3 392.861 2.093 20 5 GEBDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000289835990 532866194 /nfs/dbraw/zinc/86/61/94/532866194.db2.gz LLMFQSGHESZDIU-YFKPBYRVSA-N -1 3 380.213 2.368 20 5 GEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000289835990 532866197 /nfs/dbraw/zinc/86/61/97/532866197.db2.gz LLMFQSGHESZDIU-YFKPBYRVSA-N -1 3 380.213 2.368 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCCSC ZINC000276325862 532893929 /nfs/dbraw/zinc/89/39/29/532893929.db2.gz HUDKMWHYNWHRQI-UHFFFAOYSA-N -1 3 376.456 2.193 20 5 GEBDHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000736902019 598859924 /nfs/dbraw/zinc/85/99/24/598859924.db2.gz QJLROEVHENKTTN-INIZCTEOSA-N -1 3 382.380 2.121 20 5 GEBDHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000736902019 598859926 /nfs/dbraw/zinc/85/99/26/598859926.db2.gz QJLROEVHENKTTN-INIZCTEOSA-N -1 3 382.380 2.121 20 5 GEBDHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000736902020 598859990 /nfs/dbraw/zinc/85/99/90/598859990.db2.gz QJLROEVHENKTTN-MRXNPFEDSA-N -1 3 382.380 2.121 20 5 GEBDHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000736902020 598859992 /nfs/dbraw/zinc/85/99/92/598859992.db2.gz QJLROEVHENKTTN-MRXNPFEDSA-N -1 3 382.380 2.121 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897487 598881774 /nfs/dbraw/zinc/88/17/74/598881774.db2.gz QOBQRSBOVYLTFY-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897487 598881775 /nfs/dbraw/zinc/88/17/75/598881775.db2.gz QOBQRSBOVYLTFY-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900154 598899825 /nfs/dbraw/zinc/89/98/25/598899825.db2.gz QSICRZOLTRMYKN-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900154 598899827 /nfs/dbraw/zinc/89/98/27/598899827.db2.gz QSICRZOLTRMYKN-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736142369 598915749 /nfs/dbraw/zinc/91/57/49/598915749.db2.gz NNGGYSNDHRMBQW-INIZCTEOSA-N -1 3 376.323 2.373 20 5 GEBDHM C[C@](O)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736142369 598915751 /nfs/dbraw/zinc/91/57/51/598915751.db2.gz NNGGYSNDHRMBQW-INIZCTEOSA-N -1 3 376.323 2.373 20 5 GEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774550 599039171 /nfs/dbraw/zinc/03/91/71/599039171.db2.gz FRAKQGDWYQPOHZ-BMIGLBTASA-N -1 3 385.359 2.275 20 5 GEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774550 599039174 /nfs/dbraw/zinc/03/91/74/599039174.db2.gz FRAKQGDWYQPOHZ-BMIGLBTASA-N -1 3 385.359 2.275 20 5 GEBDHM CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736758791 599058984 /nfs/dbraw/zinc/05/89/84/599058984.db2.gz IJTBICKCFNEXOX-ZDUSSCGKSA-N -1 3 390.354 2.163 20 5 GEBDHM CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736758791 599058987 /nfs/dbraw/zinc/05/89/87/599058987.db2.gz IJTBICKCFNEXOX-ZDUSSCGKSA-N -1 3 390.354 2.163 20 5 GEBDHM O=C(CSc1ccccc1-c1nnn[n-]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737947464 599111149 /nfs/dbraw/zinc/11/11/49/599111149.db2.gz NDPNHFUCDVYPTP-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1ccccc1-c1nn[n-]n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737947464 599111151 /nfs/dbraw/zinc/11/11/51/599111151.db2.gz NDPNHFUCDVYPTP-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000738357526 599117900 /nfs/dbraw/zinc/11/79/00/599117900.db2.gz FDGWEDOYCFTAMH-CYBMUJFWSA-N -1 3 379.380 2.272 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000738357526 599117903 /nfs/dbraw/zinc/11/79/03/599117903.db2.gz FDGWEDOYCFTAMH-CYBMUJFWSA-N -1 3 379.380 2.272 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737117485 599159195 /nfs/dbraw/zinc/15/91/95/599159195.db2.gz WVXASEADCOTGKH-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737117485 599159197 /nfs/dbraw/zinc/15/91/97/599159197.db2.gz WVXASEADCOTGKH-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738090422 599216864 /nfs/dbraw/zinc/21/68/64/599216864.db2.gz TUIHKZITYWLFOG-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM Cc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822248829 599237054 /nfs/dbraw/zinc/23/70/54/599237054.db2.gz PLHVNPQQWNWMRT-UHFFFAOYSA-N -1 3 383.368 2.284 20 5 GEBDHM Cc1nc2ccccc2n1CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822463976 599255958 /nfs/dbraw/zinc/25/59/58/599255958.db2.gz XPXSELPLSVNHJQ-UHFFFAOYSA-N -1 3 379.384 2.330 20 5 GEBDHM Cc1nc2ccccc2n1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822463976 599255961 /nfs/dbraw/zinc/25/59/61/599255961.db2.gz XPXSELPLSVNHJQ-UHFFFAOYSA-N -1 3 379.384 2.330 20 5 GEBDHM NC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737759970 599257387 /nfs/dbraw/zinc/25/73/87/599257387.db2.gz MEKYUFVMBRURLZ-UHFFFAOYSA-N -1 3 390.363 2.034 20 5 GEBDHM NC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737759970 599257389 /nfs/dbraw/zinc/25/73/89/599257389.db2.gz MEKYUFVMBRURLZ-UHFFFAOYSA-N -1 3 390.363 2.034 20 5 GEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000738177031 599266089 /nfs/dbraw/zinc/26/60/89/599266089.db2.gz CSTMIVZQTJHFIO-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000738177031 599266092 /nfs/dbraw/zinc/26/60/92/599266092.db2.gz CSTMIVZQTJHFIO-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2nc(-c3ccncc3)cs2)c(-c2nnn[n-]2)c1 ZINC000823651774 607305222 /nfs/dbraw/zinc/30/52/22/607305222.db2.gz PRYUBJMTFWCTJK-UHFFFAOYSA-N -1 3 395.408 2.343 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2nc(-c3ccncc3)cs2)c(-c2nn[n-]n2)c1 ZINC000823651774 607305223 /nfs/dbraw/zinc/30/52/23/607305223.db2.gz PRYUBJMTFWCTJK-UHFFFAOYSA-N -1 3 395.408 2.343 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821763000 599273107 /nfs/dbraw/zinc/27/31/07/599273107.db2.gz SBPRDXHBIGVDQS-UHFFFAOYSA-N -1 3 383.368 2.148 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821763000 599273109 /nfs/dbraw/zinc/27/31/09/599273109.db2.gz SBPRDXHBIGVDQS-UHFFFAOYSA-N -1 3 383.368 2.148 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000821486614 607327925 /nfs/dbraw/zinc/32/79/25/607327925.db2.gz IOZYKJXZYOTWIM-UHFFFAOYSA-N -1 3 392.372 2.277 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735635269 598246488 /nfs/dbraw/zinc/24/64/88/598246488.db2.gz AKABUQMFMWUBNY-NSHDSACASA-N -1 3 389.416 2.126 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735635269 598246490 /nfs/dbraw/zinc/24/64/90/598246490.db2.gz AKABUQMFMWUBNY-NSHDSACASA-N -1 3 389.416 2.126 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1C ZINC000737222310 598272469 /nfs/dbraw/zinc/27/24/69/598272469.db2.gz XCTNICOFNLHOAR-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1C ZINC000737222310 598272471 /nfs/dbraw/zinc/27/24/71/598272471.db2.gz XCTNICOFNLHOAR-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000738101487 598306847 /nfs/dbraw/zinc/30/68/47/598306847.db2.gz GMMQDPITDXKDJF-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000738101487 598306848 /nfs/dbraw/zinc/30/68/48/598306848.db2.gz GMMQDPITDXKDJF-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM Cc1occc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737556518 598457679 /nfs/dbraw/zinc/45/76/79/598457679.db2.gz LDQCJWQXJVCWDF-UHFFFAOYSA-N -1 3 397.395 2.075 20 5 GEBDHM Cc1occc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737556518 598457681 /nfs/dbraw/zinc/45/76/81/598457681.db2.gz LDQCJWQXJVCWDF-UHFFFAOYSA-N -1 3 397.395 2.075 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738373366 598468060 /nfs/dbraw/zinc/46/80/60/598468060.db2.gz BBPACIMFKXYNFR-LBPRGKRZSA-N -1 3 395.301 2.334 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738373366 598468062 /nfs/dbraw/zinc/46/80/62/598468062.db2.gz BBPACIMFKXYNFR-LBPRGKRZSA-N -1 3 395.301 2.334 20 5 GEBDHM O=C(Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC000738173170 598497890 /nfs/dbraw/zinc/49/78/90/598497890.db2.gz KPQPZLAURLTMJF-CQSZACIVSA-N -1 3 396.367 2.031 20 5 GEBDHM O=C(Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC000738173170 598497891 /nfs/dbraw/zinc/49/78/91/598497891.db2.gz KPQPZLAURLTMJF-CQSZACIVSA-N -1 3 396.367 2.031 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000737025329 598498861 /nfs/dbraw/zinc/49/88/61/598498861.db2.gz PKKNDHVQTAHLMO-UHFFFAOYSA-N -1 3 377.263 2.281 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000737025329 598498863 /nfs/dbraw/zinc/49/88/63/598498863.db2.gz PKKNDHVQTAHLMO-UHFFFAOYSA-N -1 3 377.263 2.281 20 5 GEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738113255 598579201 /nfs/dbraw/zinc/57/92/01/598579201.db2.gz XXVCSCXPAMMJJT-KRWDZBQOSA-N -1 3 393.407 2.060 20 5 GEBDHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738294230 598582689 /nfs/dbraw/zinc/58/26/89/598582689.db2.gz AERXBZONXMBILV-CYBMUJFWSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738294230 598582691 /nfs/dbraw/zinc/58/26/91/598582691.db2.gz AERXBZONXMBILV-CYBMUJFWSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738294231 598582945 /nfs/dbraw/zinc/58/29/45/598582945.db2.gz AERXBZONXMBILV-ZDUSSCGKSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738294231 598582946 /nfs/dbraw/zinc/58/29/46/598582946.db2.gz AERXBZONXMBILV-ZDUSSCGKSA-N -1 3 383.393 2.068 20 5 GEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736296088 598601914 /nfs/dbraw/zinc/60/19/14/598601914.db2.gz CYAFJJFDEUZPAL-LLVKDONJSA-N -1 3 379.380 2.165 20 5 GEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736296088 598601916 /nfs/dbraw/zinc/60/19/16/598601916.db2.gz CYAFJJFDEUZPAL-LLVKDONJSA-N -1 3 379.380 2.165 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826407895 607361078 /nfs/dbraw/zinc/36/10/78/607361078.db2.gz GSGCWRHHEJDOQQ-UHFFFAOYSA-N -1 3 396.363 2.003 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826407895 607361080 /nfs/dbraw/zinc/36/10/80/607361080.db2.gz GSGCWRHHEJDOQQ-UHFFFAOYSA-N -1 3 396.363 2.003 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000738370027 598680094 /nfs/dbraw/zinc/68/00/94/598680094.db2.gz MTMYSPYDOLGINQ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000738370027 598680098 /nfs/dbraw/zinc/68/00/98/598680098.db2.gz MTMYSPYDOLGINQ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738165336 598720977 /nfs/dbraw/zinc/72/09/77/598720977.db2.gz CGIDUQSTIBRSIV-UHFFFAOYSA-N -1 3 395.310 2.420 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738165336 598720979 /nfs/dbraw/zinc/72/09/79/598720979.db2.gz CGIDUQSTIBRSIV-UHFFFAOYSA-N -1 3 395.310 2.420 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000738195736 598808025 /nfs/dbraw/zinc/80/80/25/598808025.db2.gz ROKIZZWDRLRTGI-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822266767 599326276 /nfs/dbraw/zinc/32/62/76/599326276.db2.gz HRVAGZQJKOILGX-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822266767 599326278 /nfs/dbraw/zinc/32/62/78/599326278.db2.gz HRVAGZQJKOILGX-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212635 599326379 /nfs/dbraw/zinc/32/63/79/599326379.db2.gz AAIIJUQBLUOXFL-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212635 599326381 /nfs/dbraw/zinc/32/63/81/599326381.db2.gz AAIIJUQBLUOXFL-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM CC(C)Oc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820173420 607373832 /nfs/dbraw/zinc/37/38/32/607373832.db2.gz FRPIMPVPBMQPAB-UHFFFAOYSA-N -1 3 397.395 2.273 20 5 GEBDHM CC(C)Oc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820173420 607373834 /nfs/dbraw/zinc/37/38/34/607373834.db2.gz FRPIMPVPBMQPAB-UHFFFAOYSA-N -1 3 397.395 2.273 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825705225 607376398 /nfs/dbraw/zinc/37/63/98/607376398.db2.gz ZGQOPNKLKSZGIN-UHFFFAOYSA-N -1 3 381.348 2.377 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825705225 607376400 /nfs/dbraw/zinc/37/64/00/607376400.db2.gz ZGQOPNKLKSZGIN-UHFFFAOYSA-N -1 3 381.348 2.377 20 5 GEBDHM CC[C@@H](C)NC(=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820876481 599485643 /nfs/dbraw/zinc/48/56/43/599485643.db2.gz QVPDNVMAKHOQDH-SNVBAGLBSA-N -1 3 384.400 2.040 20 5 GEBDHM CC[C@@H](C)NC(=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820876481 599485646 /nfs/dbraw/zinc/48/56/46/599485646.db2.gz QVPDNVMAKHOQDH-SNVBAGLBSA-N -1 3 384.400 2.040 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(c4ncc[nH]4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644210 599510327 /nfs/dbraw/zinc/51/03/27/599510327.db2.gz GWCGDEAPZLURSO-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(c4ncc[nH]4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644210 599510330 /nfs/dbraw/zinc/51/03/30/599510330.db2.gz GWCGDEAPZLURSO-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])s1 ZINC000821466352 599630442 /nfs/dbraw/zinc/63/04/42/599630442.db2.gz VZVCXDJDPGKXTL-UHFFFAOYSA-N -1 3 387.425 2.474 20 5 GEBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])s1 ZINC000821466352 599630443 /nfs/dbraw/zinc/63/04/43/599630443.db2.gz VZVCXDJDPGKXTL-UHFFFAOYSA-N -1 3 387.425 2.474 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000823445099 599651766 /nfs/dbraw/zinc/65/17/66/599651766.db2.gz ROUBBGBUASZUMG-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000823445099 599651767 /nfs/dbraw/zinc/65/17/67/599651767.db2.gz ROUBBGBUASZUMG-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1csc([N+](=O)[O-])c1 ZINC000823443798 599657664 /nfs/dbraw/zinc/65/76/64/599657664.db2.gz FAABTYXUWOFNLI-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1csc([N+](=O)[O-])c1 ZINC000823443798 599657665 /nfs/dbraw/zinc/65/76/65/599657665.db2.gz FAABTYXUWOFNLI-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822271123 599667338 /nfs/dbraw/zinc/66/73/38/599667338.db2.gz NFANAAPGXUEREQ-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822271123 599667339 /nfs/dbraw/zinc/66/73/39/599667339.db2.gz NFANAAPGXUEREQ-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000821745146 607415737 /nfs/dbraw/zinc/41/57/37/607415737.db2.gz GXGDTCVHFFVYTG-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000821745146 607415739 /nfs/dbraw/zinc/41/57/39/607415739.db2.gz GXGDTCVHFFVYTG-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1[N+](=O)[O-] ZINC000826176755 607419710 /nfs/dbraw/zinc/41/97/10/607419710.db2.gz BYAVXPQIIDWGPF-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM COc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1[N+](=O)[O-] ZINC000826176755 607419711 /nfs/dbraw/zinc/41/97/11/607419711.db2.gz BYAVXPQIIDWGPF-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826428256 607421877 /nfs/dbraw/zinc/42/18/77/607421877.db2.gz UWGYVLWKXGTKRJ-UHFFFAOYSA-N -1 3 395.335 2.102 20 5 GEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826428256 607421878 /nfs/dbraw/zinc/42/18/78/607421878.db2.gz UWGYVLWKXGTKRJ-UHFFFAOYSA-N -1 3 395.335 2.102 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826183133 607516114 /nfs/dbraw/zinc/51/61/14/607516114.db2.gz FPXQLXOJMONFFE-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM Cc1nn(CC(=O)Nc2sccc2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000826334223 607521820 /nfs/dbraw/zinc/52/18/20/607521820.db2.gz MIGWIJCSSXTMOP-UHFFFAOYSA-N -1 3 384.381 2.133 20 5 GEBDHM Cc1nn(CC(=O)Nc2sccc2-c2nn[n-]n2)c2ccc([N+](=O)[O-])cc12 ZINC000826334223 607521823 /nfs/dbraw/zinc/52/18/23/607521823.db2.gz MIGWIJCSSXTMOP-UHFFFAOYSA-N -1 3 384.381 2.133 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc2c1OCO2 ZINC000826450807 607523621 /nfs/dbraw/zinc/52/36/21/607523621.db2.gz DYJGLMACGURGSP-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc2c1OCO2 ZINC000826450807 607523623 /nfs/dbraw/zinc/52/36/23/607523623.db2.gz DYJGLMACGURGSP-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833117817 601740681 /nfs/dbraw/zinc/74/06/81/601740681.db2.gz ZPIRTXLXGKPXTI-OAQYLSRUSA-N -1 3 397.431 2.373 20 5 GEBDHM CN(C)C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000830600128 602199940 /nfs/dbraw/zinc/19/99/40/602199940.db2.gz BIPFVNGGGDOMES-OAHLLOKOSA-N -1 3 385.376 2.262 20 5 GEBDHM CC[C@H]1CN(CCn2cccn2)CCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000829149479 602317040 /nfs/dbraw/zinc/31/70/40/602317040.db2.gz HXTBDMIFRDGIMQ-HNNXBMFYSA-N -1 3 387.440 2.399 20 5 GEBDHM Cc1[nH]nc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1[N+](=O)[O-] ZINC000826233774 607770458 /nfs/dbraw/zinc/77/04/58/607770458.db2.gz VUYZNGODXIQXRP-UHFFFAOYSA-N -1 3 397.380 2.182 20 5 GEBDHM CCN(CC)C(=O)CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821175088 606124056 /nfs/dbraw/zinc/12/40/56/606124056.db2.gz CJBJKTOCPJWVAI-UHFFFAOYSA-N -1 3 398.427 2.384 20 5 GEBDHM CCN(CC)C(=O)CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821175088 606124057 /nfs/dbraw/zinc/12/40/57/606124057.db2.gz CJBJKTOCPJWVAI-UHFFFAOYSA-N -1 3 398.427 2.384 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821476950 606131135 /nfs/dbraw/zinc/13/11/35/606131135.db2.gz WCHAPFXMAXGGLY-UHFFFAOYSA-N -1 3 396.363 2.133 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821476950 606131137 /nfs/dbraw/zinc/13/11/37/606131137.db2.gz WCHAPFXMAXGGLY-UHFFFAOYSA-N -1 3 396.363 2.133 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822270972 606242138 /nfs/dbraw/zinc/24/21/38/606242138.db2.gz GOFLDVBPNKUVIE-LBPRGKRZSA-N -1 3 385.409 2.362 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822270972 606242139 /nfs/dbraw/zinc/24/21/39/606242139.db2.gz GOFLDVBPNKUVIE-LBPRGKRZSA-N -1 3 385.409 2.362 20 5 GEBDHM Cc1c(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000822116180 606243595 /nfs/dbraw/zinc/24/35/95/606243595.db2.gz NXFWMWOBANIBJK-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1c(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000822116180 606243598 /nfs/dbraw/zinc/24/35/98/606243598.db2.gz NXFWMWOBANIBJK-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM O=C1[C@@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823514143 606244431 /nfs/dbraw/zinc/24/44/31/606244431.db2.gz WZFWIFPNQJFNOR-AWEZNQCLSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823514143 606244432 /nfs/dbraw/zinc/24/44/32/606244432.db2.gz WZFWIFPNQJFNOR-AWEZNQCLSA-N -1 3 383.343 2.131 20 5 GEBDHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000821649756 606315467 /nfs/dbraw/zinc/31/54/67/606315467.db2.gz CSPVYCDVWVZYCV-INIZCTEOSA-N -1 3 382.380 2.121 20 5 GEBDHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000821649756 606315469 /nfs/dbraw/zinc/31/54/69/606315469.db2.gz CSPVYCDVWVZYCV-INIZCTEOSA-N -1 3 382.380 2.121 20 5 GEBDHM COc1cc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821727743 606339583 /nfs/dbraw/zinc/33/95/83/606339583.db2.gz NVSGWOQPGJABFW-NSHDSACASA-N -1 3 399.363 2.467 20 5 GEBDHM COc1cc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821727743 606339584 /nfs/dbraw/zinc/33/95/84/606339584.db2.gz NVSGWOQPGJABFW-NSHDSACASA-N -1 3 399.363 2.467 20 5 GEBDHM C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502398 606358205 /nfs/dbraw/zinc/35/82/05/606358205.db2.gz QORIICPPMHHBEO-NSHDSACASA-N -1 3 393.363 2.429 20 5 GEBDHM C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502398 606358206 /nfs/dbraw/zinc/35/82/06/606358206.db2.gz QORIICPPMHHBEO-NSHDSACASA-N -1 3 393.363 2.429 20 5 GEBDHM CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570761 606415003 /nfs/dbraw/zinc/41/50/03/606415003.db2.gz JXXXKJGZGHNLBA-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570761 606415004 /nfs/dbraw/zinc/41/50/04/606415004.db2.gz JXXXKJGZGHNLBA-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM Cc1ccc([C@H](C)NC(=O)COc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228612 606448242 /nfs/dbraw/zinc/44/82/42/606448242.db2.gz AIWMXUOHWWTODA-LBPRGKRZSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1ccc([C@H](C)NC(=O)COc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228612 606448244 /nfs/dbraw/zinc/44/82/44/606448244.db2.gz AIWMXUOHWWTODA-LBPRGKRZSA-N -1 3 382.380 2.340 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nnn[n-]2)c2ncccc12 ZINC000823639522 606461336 /nfs/dbraw/zinc/46/13/36/606461336.db2.gz BZFZJZKBZFCWSR-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nn[n-]n2)c2ncccc12 ZINC000823639522 606461337 /nfs/dbraw/zinc/46/13/37/606461337.db2.gz BZFZJZKBZFCWSR-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM O=C(NCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000823201839 606645197 /nfs/dbraw/zinc/64/51/97/606645197.db2.gz MFDSEIYFFGDILF-UHFFFAOYSA-N -1 3 387.787 2.270 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000823298957 606805050 /nfs/dbraw/zinc/80/50/50/606805050.db2.gz ANMIQZFHVPYMGT-UHFFFAOYSA-N -1 3 377.267 2.024 20 5 GEBDHM Cc1c(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822129616 606886526 /nfs/dbraw/zinc/88/65/26/606886526.db2.gz MQLWBOPXVYRLTQ-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1c(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822129616 606886527 /nfs/dbraw/zinc/88/65/27/606886527.db2.gz MQLWBOPXVYRLTQ-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM CCc1nnc(NCCNc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1CC ZINC000821542365 606917638 /nfs/dbraw/zinc/91/76/38/606917638.db2.gz PXLJILOEEKOZSO-UHFFFAOYSA-N -1 3 383.416 2.214 20 5 GEBDHM CCc1nnc(NCCNc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1CC ZINC000821542365 606917639 /nfs/dbraw/zinc/91/76/39/606917639.db2.gz PXLJILOEEKOZSO-UHFFFAOYSA-N -1 3 383.416 2.214 20 5 GEBDHM COc1cc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821703016 606948270 /nfs/dbraw/zinc/94/82/70/606948270.db2.gz KZZXCBVHOJQNMG-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM COc1cc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821703016 606948271 /nfs/dbraw/zinc/94/82/71/606948271.db2.gz KZZXCBVHOJQNMG-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822969739 606992622 /nfs/dbraw/zinc/99/26/22/606992622.db2.gz ZFGGCLRMIYEDCO-UHFFFAOYSA-N -1 3 386.343 2.459 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822969739 606992623 /nfs/dbraw/zinc/99/26/23/606992623.db2.gz ZFGGCLRMIYEDCO-UHFFFAOYSA-N -1 3 386.343 2.459 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822974376 606995941 /nfs/dbraw/zinc/99/59/41/606995941.db2.gz JHUVNSDBMBKPAL-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822974376 606995943 /nfs/dbraw/zinc/99/59/43/606995943.db2.gz JHUVNSDBMBKPAL-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM CCOC(=O)C(C)(C)n1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000821313481 607032002 /nfs/dbraw/zinc/03/20/02/607032002.db2.gz GAZYNTZUAYNVPQ-UHFFFAOYSA-N -1 3 386.372 2.013 20 5 GEBDHM CCOC(=O)C(C)(C)n1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000821313481 607032004 /nfs/dbraw/zinc/03/20/04/607032004.db2.gz GAZYNTZUAYNVPQ-UHFFFAOYSA-N -1 3 386.372 2.013 20 5 GEBDHM Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000822604270 607037288 /nfs/dbraw/zinc/03/72/88/607037288.db2.gz AZNOSHQFFCTRAX-UHFFFAOYSA-N -1 3 381.381 2.117 20 5 GEBDHM Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1-c1ccccn1 ZINC000822604270 607037289 /nfs/dbraw/zinc/03/72/89/607037289.db2.gz AZNOSHQFFCTRAX-UHFFFAOYSA-N -1 3 381.381 2.117 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nnc(-c3ccccc3)s2)c(-c2nnn[n-]2)c1 ZINC000823650845 607118599 /nfs/dbraw/zinc/11/85/99/607118599.db2.gz CHBAQCFMRABDOP-UHFFFAOYSA-N -1 3 381.381 2.301 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nnc(-c3ccccc3)s2)c(-c2nn[n-]n2)c1 ZINC000823650845 607118600 /nfs/dbraw/zinc/11/86/00/607118600.db2.gz CHBAQCFMRABDOP-UHFFFAOYSA-N -1 3 381.381 2.301 20 5 GEBDHM CS(=O)(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821938228 607128110 /nfs/dbraw/zinc/12/81/10/607128110.db2.gz ZHQJQYHFFIVXIG-UHFFFAOYSA-N -1 3 379.329 2.110 20 5 GEBDHM CS(=O)(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821938228 607128112 /nfs/dbraw/zinc/12/81/12/607128112.db2.gz ZHQJQYHFFIVXIG-UHFFFAOYSA-N -1 3 379.329 2.110 20 5 GEBDHM CN(CCCn1ccnc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821601692 607128195 /nfs/dbraw/zinc/12/81/95/607128195.db2.gz VGWIXPBVNFOQIL-UHFFFAOYSA-N -1 3 379.384 2.046 20 5 GEBDHM CN(CCCn1ccnc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821601692 607128196 /nfs/dbraw/zinc/12/81/96/607128196.db2.gz VGWIXPBVNFOQIL-UHFFFAOYSA-N -1 3 379.384 2.046 20 5 GEBDHM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823391641 607133440 /nfs/dbraw/zinc/13/34/40/607133440.db2.gz AQDMKVPSVPITKS-QWRGUYRKSA-N -1 3 389.397 2.374 20 5 GEBDHM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823391641 607133442 /nfs/dbraw/zinc/13/34/42/607133442.db2.gz AQDMKVPSVPITKS-QWRGUYRKSA-N -1 3 389.397 2.374 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823392167 607133861 /nfs/dbraw/zinc/13/38/61/607133861.db2.gz MGOLQMVUSHFESH-UONOGXRCSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823392167 607133863 /nfs/dbraw/zinc/13/38/63/607133863.db2.gz MGOLQMVUSHFESH-UONOGXRCSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000823040314 607171700 /nfs/dbraw/zinc/17/17/00/607171700.db2.gz HOFLJWZZXGPWKK-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000823040314 607171701 /nfs/dbraw/zinc/17/17/01/607171701.db2.gz HOFLJWZZXGPWKK-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822993688 607177906 /nfs/dbraw/zinc/17/79/06/607177906.db2.gz VPIDSZGZICUMJJ-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822993688 607177907 /nfs/dbraw/zinc/17/79/07/607177907.db2.gz VPIDSZGZICUMJJ-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=[N+]([O-])c1cccc([C@H](O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826499590 607868739 /nfs/dbraw/zinc/86/87/39/607868739.db2.gz ONAIASKNZQHXBS-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1cccc([C@H](O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826499590 607868740 /nfs/dbraw/zinc/86/87/40/607868740.db2.gz ONAIASKNZQHXBS-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COc1ccc(Cl)cc1 ZINC000826497874 607869542 /nfs/dbraw/zinc/86/95/42/607869542.db2.gz XJHRDGVZAOAWRT-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1ccc(Cl)cc1 ZINC000826497874 607869543 /nfs/dbraw/zinc/86/95/43/607869543.db2.gz XJHRDGVZAOAWRT-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM CCc1cccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000825722031 607870008 /nfs/dbraw/zinc/87/00/08/607870008.db2.gz CNGOOWBOILLOAM-CQSZACIVSA-N -1 3 385.380 2.156 20 5 GEBDHM CCc1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000825722031 607870009 /nfs/dbraw/zinc/87/00/09/607870009.db2.gz CNGOOWBOILLOAM-CQSZACIVSA-N -1 3 385.380 2.156 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499275 607872809 /nfs/dbraw/zinc/87/28/09/607872809.db2.gz CCVYOBIYDFEWAX-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499275 607872810 /nfs/dbraw/zinc/87/28/10/607872810.db2.gz CCVYOBIYDFEWAX-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498115 607874338 /nfs/dbraw/zinc/87/43/38/607874338.db2.gz HWVFVQHBATTWAL-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498005 607970155 /nfs/dbraw/zinc/97/01/55/607970155.db2.gz CTVOKHYBVVXFIL-MEDUHNTESA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498005 607970156 /nfs/dbraw/zinc/97/01/56/607970156.db2.gz CTVOKHYBVVXFIL-MEDUHNTESA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498003 607970158 /nfs/dbraw/zinc/97/01/58/607970158.db2.gz CTVOKHYBVVXFIL-BDJLRTHQSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498003 607970159 /nfs/dbraw/zinc/97/01/59/607970159.db2.gz CTVOKHYBVVXFIL-BDJLRTHQSA-N -1 3 388.334 2.365 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826420356 608005075 /nfs/dbraw/zinc/00/50/75/608005075.db2.gz JJIQUNOUKHRCNI-UHFFFAOYSA-N -1 3 384.421 2.226 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826420356 608005076 /nfs/dbraw/zinc/00/50/76/608005076.db2.gz JJIQUNOUKHRCNI-UHFFFAOYSA-N -1 3 384.421 2.226 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826500903 608099825 /nfs/dbraw/zinc/09/98/25/608099825.db2.gz RBNPDIGTDCPHHP-LBPRGKRZSA-N -1 3 379.739 2.108 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826500903 608099826 /nfs/dbraw/zinc/09/98/26/608099826.db2.gz RBNPDIGTDCPHHP-LBPRGKRZSA-N -1 3 379.739 2.108 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000826161697 608137353 /nfs/dbraw/zinc/13/73/53/608137353.db2.gz VMRPVIIZAXHDNA-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000826161697 608137354 /nfs/dbraw/zinc/13/73/54/608137354.db2.gz VMRPVIIZAXHDNA-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826161672 608139148 /nfs/dbraw/zinc/13/91/48/608139148.db2.gz UEIYWHBGJWUTSO-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826161672 608139149 /nfs/dbraw/zinc/13/91/49/608139149.db2.gz UEIYWHBGJWUTSO-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826169920 608353401 /nfs/dbraw/zinc/35/34/01/608353401.db2.gz JTXKRZOSMFQTEN-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826112063 608392343 /nfs/dbraw/zinc/39/23/43/608392343.db2.gz RLYHAFRAQNLCOR-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826112063 608392345 /nfs/dbraw/zinc/39/23/45/608392345.db2.gz RLYHAFRAQNLCOR-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826112392 608392885 /nfs/dbraw/zinc/39/28/85/608392885.db2.gz ZHAZHYQZXSGDJJ-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826112392 608392887 /nfs/dbraw/zinc/39/28/87/608392887.db2.gz ZHAZHYQZXSGDJJ-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824499932 608417861 /nfs/dbraw/zinc/41/78/61/608417861.db2.gz SWLRPJGGMHNACY-GFCCVEGCSA-N -1 3 397.395 2.214 20 5 GEBDHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824497977 608424704 /nfs/dbraw/zinc/42/47/04/608424704.db2.gz BCGYUURORKIFCN-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824497977 608424706 /nfs/dbraw/zinc/42/47/06/608424706.db2.gz BCGYUURORKIFCN-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000824255596 609355548 /nfs/dbraw/zinc/35/55/48/609355548.db2.gz PHMLBNGOEDYHPK-UHFFFAOYSA-N -1 3 396.411 2.282 20 5 GEBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000824255596 609355550 /nfs/dbraw/zinc/35/55/50/609355550.db2.gz PHMLBNGOEDYHPK-UHFFFAOYSA-N -1 3 396.411 2.282 20 5 GEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000825958080 609368900 /nfs/dbraw/zinc/36/89/00/609368900.db2.gz MYKAEGMOUZZQIR-UHFFFAOYSA-N -1 3 396.392 2.052 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000825958080 609368903 /nfs/dbraw/zinc/36/89/03/609368903.db2.gz MYKAEGMOUZZQIR-UHFFFAOYSA-N -1 3 396.392 2.052 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC000826408674 609372208 /nfs/dbraw/zinc/37/22/08/609372208.db2.gz QRTPIRBJNMVIDI-UHFFFAOYSA-N -1 3 389.353 2.316 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC000826408674 609372210 /nfs/dbraw/zinc/37/22/10/609372210.db2.gz QRTPIRBJNMVIDI-UHFFFAOYSA-N -1 3 389.353 2.316 20 5 GEBDHM COc1cc(COC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826180263 609465015 /nfs/dbraw/zinc/46/50/15/609465015.db2.gz ZSJGXCNOAUNRAM-NSHDSACASA-N -1 3 399.363 2.294 20 5 GEBDHM COc1cc(COC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826180263 609465016 /nfs/dbraw/zinc/46/50/16/609465016.db2.gz ZSJGXCNOAUNRAM-NSHDSACASA-N -1 3 399.363 2.294 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451824493 650145418 /nfs/dbraw/zinc/14/54/18/650145418.db2.gz PBHYXYBZQCPYLW-VIFPVBQESA-N -1 3 378.353 2.095 20 5 GEBDHM CSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000462399319 650477991 /nfs/dbraw/zinc/47/79/91/650477991.db2.gz VCBOIQZWDJBKJB-UHFFFAOYSA-N -1 3 380.875 2.439 20 5 GEBDHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000482021273 650658193 /nfs/dbraw/zinc/65/81/93/650658193.db2.gz SKCZWXIWPKMJIE-UHFFFAOYSA-N -1 3 375.756 2.021 20 5 GEBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066576490 642922406 /nfs/dbraw/zinc/92/24/06/642922406.db2.gz AVCAIUXYCHPKIJ-UHFFFAOYSA-N -1 3 390.215 2.441 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c(Br)c1 ZINC000536330254 650800354 /nfs/dbraw/zinc/80/03/54/650800354.db2.gz RNCUPTIZBOGWRO-YPMHNXCESA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2F)c(F)c1 ZINC000121038514 643628182 /nfs/dbraw/zinc/62/81/82/643628182.db2.gz IBJJPNUPJOGHNT-LBPRGKRZSA-N -1 3 376.312 2.024 20 5 GEBDHM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271743919 646227432 /nfs/dbraw/zinc/22/74/32/646227432.db2.gz WXRVFRUYQBBEJK-XVKPBYJWSA-N -1 3 388.389 2.004 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(Br)c1 ZINC000279753677 646623933 /nfs/dbraw/zinc/62/39/33/646623933.db2.gz LQASAOLIWCJNCU-QMMMGPOBSA-N -1 3 381.273 2.389 20 5 GEBDHM C[C@H](CCCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295680416 647237268 /nfs/dbraw/zinc/23/72/68/647237268.db2.gz IAFYPVNTCXNOSC-SECBINFHSA-N -1 3 381.248 2.187 20 5 GEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000549337927 651095631 /nfs/dbraw/zinc/09/56/31/651095631.db2.gz XIPBQXNGAMWIPD-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)c(F)c1 ZINC000561574744 651481081 /nfs/dbraw/zinc/48/10/81/651481081.db2.gz KJXBPGFPKPZVHJ-JTQLQIEISA-N -1 3 388.804 2.442 20 5 GEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000577957043 652232210 /nfs/dbraw/zinc/23/22/10/652232210.db2.gz BKYMGRVMOOERMF-SNVBAGLBSA-N -1 3 376.818 2.116 20 5 GEBDHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000751287910 652338697 /nfs/dbraw/zinc/33/86/97/652338697.db2.gz IYWBULUUVWYVHA-CQSZACIVSA-N -1 3 386.813 2.269 20 5 GEBDHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000583553184 652489725 /nfs/dbraw/zinc/48/97/25/652489725.db2.gz HWLHHUVYRZRFJN-ZANVPECISA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)cc1 ZINC000583649894 652493177 /nfs/dbraw/zinc/49/31/77/652493177.db2.gz SHZLCAHXJRHDLI-UHFFFAOYSA-N -1 3 380.407 2.326 20 5 GEBDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)oc1C ZINC000757349626 652515677 /nfs/dbraw/zinc/51/56/77/652515677.db2.gz WBEHJZOPUWXOHR-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592083904 652584011 /nfs/dbraw/zinc/58/40/11/652584011.db2.gz SAGRRDXPHJAYMB-ZJUUUORDSA-N -1 3 395.275 2.433 20 5 GEBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592083902 652584146 /nfs/dbraw/zinc/58/41/46/652584146.db2.gz SAGRRDXPHJAYMB-UWVGGRQHSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCN1CC(F)F ZINC000599397662 652866422 /nfs/dbraw/zinc/86/64/22/652866422.db2.gz MADOBDOEIPUIJO-SNVBAGLBSA-N -1 3 383.804 2.256 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])s1 ZINC000601374838 653089230 /nfs/dbraw/zinc/08/92/30/653089230.db2.gz MBDKIEYJMRIDSF-ZWNOBZJWSA-N -1 3 378.497 2.298 20 5 GEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000769692592 653171463 /nfs/dbraw/zinc/17/14/63/653171463.db2.gz NTAMEVOQCKYEBZ-IUCAKERBSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CCN(C2CC2)CC1 ZINC000814982021 653641792 /nfs/dbraw/zinc/64/17/92/653641792.db2.gz UQLBHMBSDZSPQB-UHFFFAOYSA-N -1 3 377.825 2.292 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@H]12 ZINC000814990251 653642170 /nfs/dbraw/zinc/64/21/70/653642170.db2.gz JIMCIGVIEUNOFG-NWDGAFQWSA-N -1 3 377.825 2.292 20 5 GEBDHM O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N-]C(=O)c1cccs1 ZINC000785938093 653716855 /nfs/dbraw/zinc/71/68/55/653716855.db2.gz ZGIWCOYLNBQNFC-UHFFFAOYSA-N -1 3 382.781 2.352 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccn(C)n1 ZINC000841551325 653731727 /nfs/dbraw/zinc/73/17/27/653731727.db2.gz GNTFVKTYYBTLTP-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790882739 653799922 /nfs/dbraw/zinc/79/99/22/653799922.db2.gz QISAMQHDBBHDRX-NSHDSACASA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1cc(=O)[n-]c(N2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)n1 ZINC000884705530 653885606 /nfs/dbraw/zinc/88/56/06/653885606.db2.gz XQHNWIHFMXODOB-UHFFFAOYSA-N -1 3 394.229 2.488 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)OC(C)(C)C ZINC000795204496 653938817 /nfs/dbraw/zinc/93/88/17/653938817.db2.gz KSENZWHYIYDWMP-SECBINFHSA-N -1 3 393.849 2.440 20 5 GEBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225857 654055061 /nfs/dbraw/zinc/05/50/61/654055061.db2.gz OXHFQBHERFJTGS-SNVBAGLBSA-N -1 3 379.841 2.398 20 5 GEBDHM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000800929484 654168304 /nfs/dbraw/zinc/16/83/04/654168304.db2.gz HFUWOURIEHTNLU-UHFFFAOYSA-N -1 3 388.398 2.079 20 5 GEBDHM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000921421940 654266244 /nfs/dbraw/zinc/26/62/44/654266244.db2.gz NRRJLDBEFYBKTG-QMMMGPOBSA-N -1 3 381.248 2.449 20 5 GEBDHM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000921422511 654266334 /nfs/dbraw/zinc/26/63/34/654266334.db2.gz ZAXKUDVOUNVRJI-QMMMGPOBSA-N -1 3 381.248 2.449 20 5 GEBDHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000832523437 654271654 /nfs/dbraw/zinc/27/16/54/654271654.db2.gz GRRTXZCZHCRPSH-AMIZOPFISA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)ccc1Br ZINC000152224902 531538166 /nfs/dbraw/zinc/53/81/66/531538166.db2.gz ACSQHNRDIZTFAO-AOOOYVTPSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c(Cl)c1 ZINC000047543738 531715333 /nfs/dbraw/zinc/71/53/33/531715333.db2.gz KQAZLFPHSDWFIT-UHFFFAOYSA-N -1 3 380.813 2.417 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCc2ccco2)c1 ZINC000119311220 531966249 /nfs/dbraw/zinc/96/62/49/531966249.db2.gz CMCAPCPMQWTLLL-UHFFFAOYSA-N -1 3 375.200 2.471 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1csc(N2CCCC2)n1 ZINC000123088053 532092151 /nfs/dbraw/zinc/09/21/51/532092151.db2.gz DYYMTQPQJJTFAA-UHFFFAOYSA-N -1 3 382.467 2.173 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000123935189 532110509 /nfs/dbraw/zinc/11/05/09/532110509.db2.gz CEVJXDVHWUILBH-GFCCVEGCSA-N -1 3 381.435 2.049 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC2CCCC2)cc1[N+](=O)[O-] ZINC000125683992 532140405 /nfs/dbraw/zinc/14/04/05/532140405.db2.gz RBGPOORABZWQRJ-UHFFFAOYSA-N -1 3 389.499 2.328 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCN(c3ccncc3)CC2)s1 ZINC000180198567 532260766 /nfs/dbraw/zinc/26/07/66/532260766.db2.gz NLYCWAIVFGBYGG-UHFFFAOYSA-N -1 3 382.467 2.246 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC(=O)N2CCCCC2)c1 ZINC000183512934 532325714 /nfs/dbraw/zinc/32/57/14/532325714.db2.gz BTJVXCSTKOZADG-UHFFFAOYSA-N -1 3 389.861 2.238 20 5 GEBDHM CCc1nc(CC[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cs1 ZINC000186864944 532342280 /nfs/dbraw/zinc/34/22/80/532342280.db2.gz DCHJTCPSGBMLMB-UHFFFAOYSA-N -1 3 389.430 2.282 20 5 GEBDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000188357056 532347985 /nfs/dbraw/zinc/34/79/85/532347985.db2.gz NCCJLWOFPHBFDD-AWEZNQCLSA-N -1 3 384.841 2.439 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000187757438 532345416 /nfs/dbraw/zinc/34/54/16/532345416.db2.gz NQQGIKKKIMPXOK-MRVPVSSYSA-N -1 3 375.403 2.281 20 5 GEBDHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000425205608 532373138 /nfs/dbraw/zinc/37/31/38/532373138.db2.gz OQWOPDFFKNFKOL-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000590550445 532375670 /nfs/dbraw/zinc/37/56/70/532375670.db2.gz XFVBGPQEIIXFMY-UHFFFAOYSA-N -1 3 383.202 2.052 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1C ZINC000589922705 532363512 /nfs/dbraw/zinc/36/35/12/532363512.db2.gz NADVQRLNKUHMNF-GWCFXTLKSA-N -1 3 382.360 2.336 20 5 GEBDHM C[C@H]1CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000277995425 532368831 /nfs/dbraw/zinc/36/88/31/532368831.db2.gz UVQGPZNPACRSQR-LBPRGKRZSA-N -1 3 391.877 2.027 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000372257429 532380092 /nfs/dbraw/zinc/38/00/92/532380092.db2.gz BDTRQHOXJPZXQT-YPMHNXCESA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1 ZINC000195239107 532473146 /nfs/dbraw/zinc/47/31/46/532473146.db2.gz NKEPFYAUWXAGLS-UHFFFAOYSA-N -1 3 381.376 2.208 20 5 GEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c1 ZINC000429307289 532473220 /nfs/dbraw/zinc/47/32/20/532473220.db2.gz OIALILXQEXWNRO-UHFFFAOYSA-N -1 3 380.407 2.326 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@]1(C)CC1(F)F ZINC000594856881 532535437 /nfs/dbraw/zinc/53/54/37/532535437.db2.gz KEIRUWPCMGZYTH-ZDUSSCGKSA-N -1 3 378.353 2.095 20 5 GEBDHM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000594862099 532536535 /nfs/dbraw/zinc/53/65/35/532536535.db2.gz RLVHJFHYBMJULP-JTQLQIEISA-N -1 3 376.818 2.116 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nccn1C ZINC000595382460 532562170 /nfs/dbraw/zinc/56/21/70/532562170.db2.gz ITWKGSLISQRHKY-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000565896383 532583603 /nfs/dbraw/zinc/58/36/03/532583603.db2.gz GQPJROTUUNRODY-SNVBAGLBSA-N -1 3 376.818 2.116 20 5 GEBDHM O=[N+]([O-])c1cccc(Br)c1[N-]c1ccn(CCN2CCOCC2)n1 ZINC000596122024 532587979 /nfs/dbraw/zinc/58/79/79/532587979.db2.gz RGTYDOQTFJAYII-UHFFFAOYSA-N -1 3 396.245 2.630 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cn2c(n1)CCCC2 ZINC000377425243 532657085 /nfs/dbraw/zinc/65/70/85/532657085.db2.gz ARRGARBIJFHUQK-UHFFFAOYSA-N -1 3 384.845 2.302 20 5 GEBDHM CCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000285727023 532702173 /nfs/dbraw/zinc/70/21/73/532702173.db2.gz UYDRMZMLWPCMIL-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM CSc1nsc([N-]C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)n1 ZINC000440076852 532706388 /nfs/dbraw/zinc/70/63/88/532706388.db2.gz JICFANAJCCAKJX-UHFFFAOYSA-N -1 3 377.411 2.310 20 5 GEBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440088474 532706991 /nfs/dbraw/zinc/70/69/91/532706991.db2.gz AAEOXXQDDQUJKE-JTQLQIEISA-N -1 3 394.291 2.366 20 5 GEBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000539219358 532726713 /nfs/dbraw/zinc/72/67/13/532726713.db2.gz HTLWIDAYDPNLPU-CABZTGNLSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000443232925 532743764 /nfs/dbraw/zinc/74/37/64/532743764.db2.gz YENIQULDKAVACN-SKDRFNHKSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)[n-]c(=O)n1 ZINC000286278149 532738154 /nfs/dbraw/zinc/73/81/54/532738154.db2.gz OQYSTQUEQBHHEF-UHFFFAOYSA-N -1 3 393.197 2.360 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1csc([C@H](C)OC)n1 ZINC000267637545 532748970 /nfs/dbraw/zinc/74/89/70/532748970.db2.gz QBFXJLIXDUHIKV-VIFPVBQESA-N -1 3 387.439 2.246 20 5 GEBDHM COCc1nc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n[n-]1 ZINC000268465668 532765404 /nfs/dbraw/zinc/76/54/04/532765404.db2.gz GJRWLJWWVAVPHQ-UHFFFAOYSA-N -1 3 380.354 2.007 20 5 GEBDHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000542238526 532767443 /nfs/dbraw/zinc/76/74/43/532767443.db2.gz WEBDJFJCWFDGPG-QPUJVOFHSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000542238528 532768093 /nfs/dbraw/zinc/76/80/93/532768093.db2.gz WEBDJFJCWFDGPG-UFBFGSQYSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271198867 532804602 /nfs/dbraw/zinc/80/46/02/532804602.db2.gz BBOUSHOEVPZYAL-DTWKUNHWSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000272105886 532812993 /nfs/dbraw/zinc/81/29/93/532812993.db2.gz MMJMWORSHNNCKU-VIFPVBQESA-N -1 3 395.275 2.433 20 5 GEBDHM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330795133 532827354 /nfs/dbraw/zinc/82/73/54/532827354.db2.gz WPYKQRJOWNDULC-PWSUYJOCSA-N -1 3 389.861 2.174 20 5 GEBDHM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000332508848 532857072 /nfs/dbraw/zinc/85/70/72/532857072.db2.gz YQGINNUMCUDYJB-ZFWWWQNUSA-N -1 3 392.861 2.093 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c(Br)c1 ZINC000275233930 532869340 /nfs/dbraw/zinc/86/93/40/532869340.db2.gz WCSHSFQYQAOTCR-JOYOIKCWSA-N -1 3 393.259 2.187 20 5 GEBDHM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000275415668 532875774 /nfs/dbraw/zinc/87/57/74/532875774.db2.gz PTMXAARLMSUFDA-UHFFFAOYSA-N -1 3 376.406 2.228 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)c1[N+](=O)[O-] ZINC000276825415 532901664 /nfs/dbraw/zinc/90/16/64/532901664.db2.gz NWOVEAQYRDQGDZ-UHFFFAOYSA-N -1 3 382.467 2.035 20 5 GEBDHM CNc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736885719 598886587 /nfs/dbraw/zinc/88/65/87/598886587.db2.gz BKTMBOHMHRYUID-LLVKDONJSA-N -1 3 398.379 2.441 20 5 GEBDHM CNc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736885719 598886588 /nfs/dbraw/zinc/88/65/88/598886588.db2.gz BKTMBOHMHRYUID-LLVKDONJSA-N -1 3 398.379 2.441 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899620 598893781 /nfs/dbraw/zinc/89/37/81/598893781.db2.gz PQOVTKUJDJBXBD-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899620 598893785 /nfs/dbraw/zinc/89/37/85/598893785.db2.gz PQOVTKUJDJBXBD-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1csc([N+](=O)[O-])c1 ZINC000738038242 598931333 /nfs/dbraw/zinc/93/13/33/598931333.db2.gz YFXIGBPLLKQYAC-UHFFFAOYSA-N -1 3 399.436 2.235 20 5 GEBDHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1csc([N+](=O)[O-])c1 ZINC000738038242 598931335 /nfs/dbraw/zinc/93/13/35/598931335.db2.gz YFXIGBPLLKQYAC-UHFFFAOYSA-N -1 3 399.436 2.235 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])cc1OC ZINC000737031639 598939378 /nfs/dbraw/zinc/93/93/78/598939378.db2.gz BSNHVAIHYMRFAC-UHFFFAOYSA-N -1 3 387.352 2.250 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])cc1OC ZINC000737031639 598939380 /nfs/dbraw/zinc/93/93/80/598939380.db2.gz BSNHVAIHYMRFAC-UHFFFAOYSA-N -1 3 387.352 2.250 20 5 GEBDHM C[C@H](c1cccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736204750 598944228 /nfs/dbraw/zinc/94/42/28/598944228.db2.gz UNTVDPSBVLORRH-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820774463 599044464 /nfs/dbraw/zinc/04/44/64/599044464.db2.gz DCMWTKLFZSGJBY-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820774463 599044467 /nfs/dbraw/zinc/04/44/67/599044467.db2.gz DCMWTKLFZSGJBY-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM CCO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000821347269 599072014 /nfs/dbraw/zinc/07/20/14/599072014.db2.gz VHQHXLVPUZMWJV-SECBINFHSA-N -1 3 390.429 2.360 20 5 GEBDHM CCO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000821347269 599072017 /nfs/dbraw/zinc/07/20/17/599072017.db2.gz VHQHXLVPUZMWJV-SECBINFHSA-N -1 3 390.429 2.360 20 5 GEBDHM O=C1NCCCN1c1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000823547674 599081805 /nfs/dbraw/zinc/08/18/05/599081805.db2.gz MYGPOQYRXQYKQX-UHFFFAOYSA-N -1 3 380.368 2.438 20 5 GEBDHM O=C1NCCCN1c1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000823547674 599081807 /nfs/dbraw/zinc/08/18/07/599081807.db2.gz MYGPOQYRXQYKQX-UHFFFAOYSA-N -1 3 380.368 2.438 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823241712 599165285 /nfs/dbraw/zinc/16/52/85/599165285.db2.gz DHALKRIXMKUUDJ-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823241712 599165286 /nfs/dbraw/zinc/16/52/86/599165286.db2.gz DHALKRIXMKUUDJ-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM COc1ccc(C=C2N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1-c1nnn[n-]1 ZINC000737085176 599175662 /nfs/dbraw/zinc/17/56/62/599175662.db2.gz ZAYVCTMAERCFMZ-RIYZIHGNSA-N -1 3 392.331 2.128 20 5 GEBDHM COc1ccc(C=C2N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1-c1nn[n-]n1 ZINC000737085176 599175663 /nfs/dbraw/zinc/17/56/63/599175663.db2.gz ZAYVCTMAERCFMZ-RIYZIHGNSA-N -1 3 392.331 2.128 20 5 GEBDHM CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736748672 599229453 /nfs/dbraw/zinc/22/94/53/599229453.db2.gz JNKTWUZOAPNNSU-UHFFFAOYSA-N -1 3 391.347 2.305 20 5 GEBDHM CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736748672 599229457 /nfs/dbraw/zinc/22/94/57/599229457.db2.gz JNKTWUZOAPNNSU-UHFFFAOYSA-N -1 3 391.347 2.305 20 5 GEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738234725 599242437 /nfs/dbraw/zinc/24/24/37/599242437.db2.gz LLOUTIOANNPLIZ-UHFFFAOYSA-N -1 3 392.331 2.386 20 5 GEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738234725 599242440 /nfs/dbraw/zinc/24/24/40/599242440.db2.gz LLOUTIOANNPLIZ-UHFFFAOYSA-N -1 3 392.331 2.386 20 5 GEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737967028 599250091 /nfs/dbraw/zinc/25/00/91/599250091.db2.gz RKZXCWWXTQCIIU-UHFFFAOYSA-N -1 3 390.762 2.426 20 5 GEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737967028 599250093 /nfs/dbraw/zinc/25/00/93/599250093.db2.gz RKZXCWWXTQCIIU-UHFFFAOYSA-N -1 3 390.762 2.426 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000822130608 607327950 /nfs/dbraw/zinc/32/79/50/607327950.db2.gz XMFNRUJTKVAOTA-UHFFFAOYSA-N -1 3 378.345 2.023 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735635346 598246250 /nfs/dbraw/zinc/24/62/50/598246250.db2.gz CBPBCKMBSIBFCQ-NSHDSACASA-N -1 3 389.416 2.126 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735635346 598246252 /nfs/dbraw/zinc/24/62/52/598246252.db2.gz CBPBCKMBSIBFCQ-NSHDSACASA-N -1 3 389.416 2.126 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000737482686 598315802 /nfs/dbraw/zinc/31/58/02/598315802.db2.gz KSEAMPLQKICXDF-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000737482686 598315803 /nfs/dbraw/zinc/31/58/03/598315803.db2.gz KSEAMPLQKICXDF-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738144277 598444879 /nfs/dbraw/zinc/44/48/79/598444879.db2.gz KXFRIYMLPYMULB-UHFFFAOYSA-N -1 3 377.267 2.024 20 5 GEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738144277 598444881 /nfs/dbraw/zinc/44/48/81/598444881.db2.gz KXFRIYMLPYMULB-UHFFFAOYSA-N -1 3 377.267 2.024 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000736941262 598486402 /nfs/dbraw/zinc/48/64/02/598486402.db2.gz RKJNCKMUTQWEOG-SNVBAGLBSA-N -1 3 397.347 2.480 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000736941262 598486404 /nfs/dbraw/zinc/48/64/04/598486404.db2.gz RKJNCKMUTQWEOG-SNVBAGLBSA-N -1 3 397.347 2.480 20 5 GEBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000736627806 598494559 /nfs/dbraw/zinc/49/45/59/598494559.db2.gz OAZMBMAFKIXTHE-UHFFFAOYSA-N -1 3 399.363 2.330 20 5 GEBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000736627806 598494560 /nfs/dbraw/zinc/49/45/60/598494560.db2.gz OAZMBMAFKIXTHE-UHFFFAOYSA-N -1 3 399.363 2.330 20 5 GEBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000736638020 598495678 /nfs/dbraw/zinc/49/56/78/598495678.db2.gz WRNVZUBHSHMLLQ-UHFFFAOYSA-N -1 3 398.379 2.363 20 5 GEBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000736638020 598495680 /nfs/dbraw/zinc/49/56/80/598495680.db2.gz WRNVZUBHSHMLLQ-UHFFFAOYSA-N -1 3 398.379 2.363 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCNc2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000738374187 598499024 /nfs/dbraw/zinc/49/90/24/598499024.db2.gz KMOMROIRINUDNB-UHFFFAOYSA-N -1 3 383.397 2.304 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCNc2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000738374187 598499025 /nfs/dbraw/zinc/49/90/25/598499025.db2.gz KMOMROIRINUDNB-UHFFFAOYSA-N -1 3 383.397 2.304 20 5 GEBDHM CN(Cc1nccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736831029 598506255 /nfs/dbraw/zinc/50/62/55/598506255.db2.gz SJRMAHHZTCBLBA-UHFFFAOYSA-N -1 3 382.306 2.170 20 5 GEBDHM CN(Cc1nccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736831029 598506257 /nfs/dbraw/zinc/50/62/57/598506257.db2.gz SJRMAHHZTCBLBA-UHFFFAOYSA-N -1 3 382.306 2.170 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737500756 598547173 /nfs/dbraw/zinc/54/71/73/598547173.db2.gz PKSBRTQEMDWHEC-UHFFFAOYSA-N -1 3 391.294 2.332 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737500756 598547174 /nfs/dbraw/zinc/54/71/74/598547174.db2.gz PKSBRTQEMDWHEC-UHFFFAOYSA-N -1 3 391.294 2.332 20 5 GEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738183619 598576860 /nfs/dbraw/zinc/57/68/60/598576860.db2.gz KQZSIMYLKILOMI-MRXNPFEDSA-N -1 3 379.380 2.382 20 5 GEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000736137759 598612533 /nfs/dbraw/zinc/61/25/33/598612533.db2.gz MCDAHVJJFYQHBE-SNVBAGLBSA-N -1 3 379.380 2.467 20 5 GEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000736137759 598612535 /nfs/dbraw/zinc/61/25/35/598612535.db2.gz MCDAHVJJFYQHBE-SNVBAGLBSA-N -1 3 379.380 2.467 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000737114058 598633766 /nfs/dbraw/zinc/63/37/66/598633766.db2.gz BXSHWMGIARZIQY-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000737114058 598633768 /nfs/dbraw/zinc/63/37/68/598633768.db2.gz BXSHWMGIARZIQY-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735628866 598676530 /nfs/dbraw/zinc/67/65/30/598676530.db2.gz ZWTAINCINAPLJB-JTQLQIEISA-N -1 3 375.389 2.196 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735628866 598676532 /nfs/dbraw/zinc/67/65/32/598676532.db2.gz ZWTAINCINAPLJB-JTQLQIEISA-N -1 3 375.389 2.196 20 5 GEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736842748 598776036 /nfs/dbraw/zinc/77/60/36/598776036.db2.gz WOCPEDHBTSGGJE-OAHLLOKOSA-N -1 3 397.370 2.156 20 5 GEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736842748 598776037 /nfs/dbraw/zinc/77/60/37/598776037.db2.gz WOCPEDHBTSGGJE-OAHLLOKOSA-N -1 3 397.370 2.156 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cn1 ZINC000738371886 598793488 /nfs/dbraw/zinc/79/34/88/598793488.db2.gz YREKYNOAGNASSJ-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cn1 ZINC000738371886 598793489 /nfs/dbraw/zinc/79/34/89/598793489.db2.gz YREKYNOAGNASSJ-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000738194621 598806874 /nfs/dbraw/zinc/80/68/74/598806874.db2.gz FRJDQZCAFAVFJB-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735964897 599349368 /nfs/dbraw/zinc/34/93/68/599349368.db2.gz FOTHLFHNCLHURY-CYBMUJFWSA-N -1 3 383.416 2.331 20 5 GEBDHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735964897 599349371 /nfs/dbraw/zinc/34/93/71/599349371.db2.gz FOTHLFHNCLHURY-CYBMUJFWSA-N -1 3 383.416 2.331 20 5 GEBDHM CN(CCOc1ccccc1Cl)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821604899 599374065 /nfs/dbraw/zinc/37/40/65/599374065.db2.gz MFLJNFXFVIQMBK-UHFFFAOYSA-N -1 3 375.776 2.339 20 5 GEBDHM CN(CCOc1ccccc1Cl)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821604899 599374068 /nfs/dbraw/zinc/37/40/68/599374068.db2.gz MFLJNFXFVIQMBK-UHFFFAOYSA-N -1 3 375.776 2.339 20 5 GEBDHM COc1cc(C)c(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000821707529 599463571 /nfs/dbraw/zinc/46/35/71/599463571.db2.gz AFQNCFIXYFGCPB-UHFFFAOYSA-N -1 3 385.384 2.132 20 5 GEBDHM COc1cc(C)c(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000821707529 599463573 /nfs/dbraw/zinc/46/35/73/599463573.db2.gz AFQNCFIXYFGCPB-UHFFFAOYSA-N -1 3 385.384 2.132 20 5 GEBDHM O=C(CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)N1CCCCC1 ZINC000822969205 599483738 /nfs/dbraw/zinc/48/37/38/599483738.db2.gz JOSLHXAKNVDXHM-UHFFFAOYSA-N -1 3 396.411 2.138 20 5 GEBDHM O=C(CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)N1CCCCC1 ZINC000822969205 599483739 /nfs/dbraw/zinc/48/37/39/599483739.db2.gz JOSLHXAKNVDXHM-UHFFFAOYSA-N -1 3 396.411 2.138 20 5 GEBDHM C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820327891 599498870 /nfs/dbraw/zinc/49/88/70/599498870.db2.gz KMFKPDUCBXVBHP-LBPRGKRZSA-N -1 3 381.396 2.454 20 5 GEBDHM C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820327891 599498873 /nfs/dbraw/zinc/49/88/73/599498873.db2.gz KMFKPDUCBXVBHP-LBPRGKRZSA-N -1 3 381.396 2.454 20 5 GEBDHM COc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821786715 599540060 /nfs/dbraw/zinc/54/00/60/599540060.db2.gz IHDUALPZLGAYBL-NSHDSACASA-N -1 3 382.380 2.203 20 5 GEBDHM COc1ccc(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821786715 599540063 /nfs/dbraw/zinc/54/00/63/599540063.db2.gz IHDUALPZLGAYBL-NSHDSACASA-N -1 3 382.380 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCOC3CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823646105 599583846 /nfs/dbraw/zinc/58/38/46/599583846.db2.gz ZZHIEJDYKZCKLR-UHFFFAOYSA-N -1 3 399.411 2.321 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCOC3CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823646105 599583847 /nfs/dbraw/zinc/58/38/47/599583847.db2.gz ZZHIEJDYKZCKLR-UHFFFAOYSA-N -1 3 399.411 2.321 20 5 GEBDHM Cc1ccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822240857 599588554 /nfs/dbraw/zinc/58/85/54/599588554.db2.gz BKOIOOFVENIBAM-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822240857 599588556 /nfs/dbraw/zinc/58/85/56/599588556.db2.gz BKOIOOFVENIBAM-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000821745031 607419871 /nfs/dbraw/zinc/41/98/71/607419871.db2.gz AQKWZIUIHOYPNQ-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000821745031 607419872 /nfs/dbraw/zinc/41/98/72/607419872.db2.gz AQKWZIUIHOYPNQ-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000826429060 607424834 /nfs/dbraw/zinc/42/48/34/607424834.db2.gz SWWFSXQRTNMSTK-UHFFFAOYSA-N -1 3 390.363 2.070 20 5 GEBDHM CCOc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1OC ZINC000825615778 607433636 /nfs/dbraw/zinc/43/36/36/607433636.db2.gz KGBOYNNDHUHBRU-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM CCOc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000825615778 607433637 /nfs/dbraw/zinc/43/36/37/607433637.db2.gz KGBOYNNDHUHBRU-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000826396651 607465253 /nfs/dbraw/zinc/46/52/53/607465253.db2.gz GXYXNLYUIQZBLO-UHFFFAOYSA-N -1 3 379.352 2.260 20 5 GEBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000826396651 607465255 /nfs/dbraw/zinc/46/52/55/607465255.db2.gz GXYXNLYUIQZBLO-UHFFFAOYSA-N -1 3 379.352 2.260 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826401058 607467906 /nfs/dbraw/zinc/46/79/06/607467906.db2.gz OIDHOABUFVMSIL-BAQGIRSFSA-N -1 3 388.347 2.370 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826401058 607467907 /nfs/dbraw/zinc/46/79/07/607467907.db2.gz OIDHOABUFVMSIL-BAQGIRSFSA-N -1 3 388.347 2.370 20 5 GEBDHM O=C([O-])NC[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000740623091 602992622 /nfs/dbraw/zinc/99/26/22/602992622.db2.gz LKPNFHLWTRKJLO-ZDUSSCGKSA-N -1 3 378.385 2.015 20 5 GEBDHM COc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826200855 607608901 /nfs/dbraw/zinc/60/89/01/607608901.db2.gz MLUQAUZKPRSIFJ-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826200855 607608902 /nfs/dbraw/zinc/60/89/02/607608902.db2.gz MLUQAUZKPRSIFJ-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000833417562 604937612 /nfs/dbraw/zinc/93/76/12/604937612.db2.gz VATBDSAQHSBFNX-CQSZACIVSA-N -1 3 375.425 2.307 20 5 GEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833622307 605021978 /nfs/dbraw/zinc/02/19/78/605021978.db2.gz HCXCOXVJOQRROB-ABAIWWIYSA-N -1 3 393.465 2.374 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826362927 607769672 /nfs/dbraw/zinc/76/96/72/607769672.db2.gz ONQVDPBCXGOXBA-UHFFFAOYSA-N -1 3 396.392 2.489 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826362927 607769673 /nfs/dbraw/zinc/76/96/73/607769673.db2.gz ONQVDPBCXGOXBA-UHFFFAOYSA-N -1 3 396.392 2.489 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000823630296 606144275 /nfs/dbraw/zinc/14/42/75/606144275.db2.gz WHDNNPBSMRXISF-BQYQJAHWSA-N -1 3 391.340 2.294 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000823630296 606144277 /nfs/dbraw/zinc/14/42/77/606144277.db2.gz WHDNNPBSMRXISF-BQYQJAHWSA-N -1 3 391.340 2.294 20 5 GEBDHM Cc1nc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000822437137 606215694 /nfs/dbraw/zinc/21/56/94/606215694.db2.gz WUWALOPBIWPTCX-AWEZNQCLSA-N -1 3 393.367 2.356 20 5 GEBDHM Cc1nc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000822437137 606215695 /nfs/dbraw/zinc/21/56/95/606215695.db2.gz WUWALOPBIWPTCX-AWEZNQCLSA-N -1 3 393.367 2.356 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823041291 606265777 /nfs/dbraw/zinc/26/57/77/606265777.db2.gz XGPFBGHGWFVTPI-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823041291 606265778 /nfs/dbraw/zinc/26/57/78/606265778.db2.gz XGPFBGHGWFVTPI-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821845367 606354617 /nfs/dbraw/zinc/35/46/17/606354617.db2.gz DZONAEHSEMUNSU-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821845367 606354619 /nfs/dbraw/zinc/35/46/19/606354619.db2.gz DZONAEHSEMUNSU-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2nnn[n-]2)c1 ZINC000823640030 606423253 /nfs/dbraw/zinc/42/32/53/606423253.db2.gz PVRBUGAWQYEXHH-LLVKDONJSA-N -1 3 382.384 2.419 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2nn[n-]n2)c1 ZINC000823640030 606423254 /nfs/dbraw/zinc/42/32/54/606423254.db2.gz PVRBUGAWQYEXHH-LLVKDONJSA-N -1 3 382.384 2.419 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC000822254742 606516364 /nfs/dbraw/zinc/51/63/64/606516364.db2.gz QCZHOMZKDVVEJG-UHFFFAOYSA-N -1 3 387.425 2.377 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2cc(-c3nn[n-]n3)cs2)c([N+](=O)[O-])c1 ZINC000822254742 606516366 /nfs/dbraw/zinc/51/63/66/606516366.db2.gz QCZHOMZKDVVEJG-UHFFFAOYSA-N -1 3 387.425 2.377 20 5 GEBDHM CC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915690 606588701 /nfs/dbraw/zinc/58/87/01/606588701.db2.gz WMOAZCLBUZEFRL-MRXNPFEDSA-N -1 3 382.380 2.421 20 5 GEBDHM CC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915690 606588703 /nfs/dbraw/zinc/58/87/03/606588703.db2.gz WMOAZCLBUZEFRL-MRXNPFEDSA-N -1 3 382.380 2.421 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822271157 606638801 /nfs/dbraw/zinc/63/88/01/606638801.db2.gz OORDIHOOGPSZGG-UHFFFAOYSA-N -1 3 381.396 2.120 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822271157 606638802 /nfs/dbraw/zinc/63/88/02/606638802.db2.gz OORDIHOOGPSZGG-UHFFFAOYSA-N -1 3 381.396 2.120 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822271393 606642725 /nfs/dbraw/zinc/64/27/25/606642725.db2.gz YSKZDYJRCANAOY-UHFFFAOYSA-N -1 3 397.399 2.020 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822271393 606642726 /nfs/dbraw/zinc/64/27/26/606642726.db2.gz YSKZDYJRCANAOY-UHFFFAOYSA-N -1 3 397.399 2.020 20 5 GEBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCN1c1ccccc1 ZINC000823513502 606646007 /nfs/dbraw/zinc/64/60/07/606646007.db2.gz URDPFZFBJCZNBF-HNNXBMFYSA-N -1 3 379.380 2.382 20 5 GEBDHM O=[N+]([O-])c1cc(N[C@H](CO)Cc2c[nH]c3ccccc23)ccc1-c1nnn[n-]1 ZINC000823634895 606646154 /nfs/dbraw/zinc/64/61/54/606646154.db2.gz NSKSNZCZBBSJAS-ZDUSSCGKSA-N -1 3 379.380 2.272 20 5 GEBDHM COc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821824900 606758939 /nfs/dbraw/zinc/75/89/39/606758939.db2.gz QATGOPXSZIEELG-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821824900 606758941 /nfs/dbraw/zinc/75/89/41/606758941.db2.gz QATGOPXSZIEELG-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823410472 606759076 /nfs/dbraw/zinc/75/90/76/606759076.db2.gz XAXVAIXWALWONM-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCCOc1ccccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823410472 606759079 /nfs/dbraw/zinc/75/90/79/606759079.db2.gz XAXVAIXWALWONM-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455037 606786548 /nfs/dbraw/zinc/78/65/48/606786548.db2.gz BHDGKADSXUPGLC-SECBINFHSA-N -1 3 381.352 2.279 20 5 GEBDHM C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455037 606786550 /nfs/dbraw/zinc/78/65/50/606786550.db2.gz BHDGKADSXUPGLC-SECBINFHSA-N -1 3 381.352 2.279 20 5 GEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823629779 606793969 /nfs/dbraw/zinc/79/39/69/606793969.db2.gz HCTIQTYSHNSJBB-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823629779 606793970 /nfs/dbraw/zinc/79/39/70/606793970.db2.gz HCTIQTYSHNSJBB-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823647651 606795966 /nfs/dbraw/zinc/79/59/66/606795966.db2.gz NTQPRPJQDZXWGJ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823647651 606795968 /nfs/dbraw/zinc/79/59/68/606795968.db2.gz NTQPRPJQDZXWGJ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CCc1nnc(NCc2cc([N+](=O)[O-])ccc2OC)c(-c2nnn[n-]2)c1CC ZINC000821542436 606922721 /nfs/dbraw/zinc/92/27/21/606922721.db2.gz RYRNHZVNEDEIBQ-UHFFFAOYSA-N -1 3 384.400 2.310 20 5 GEBDHM CCc1nnc(NCc2cc([N+](=O)[O-])ccc2OC)c(-c2nn[n-]n2)c1CC ZINC000821542436 606922723 /nfs/dbraw/zinc/92/27/23/606922723.db2.gz RYRNHZVNEDEIBQ-UHFFFAOYSA-N -1 3 384.400 2.310 20 5 GEBDHM Cc1nn(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822501179 606984669 /nfs/dbraw/zinc/98/46/69/606984669.db2.gz ZKCFOKAKUCMBAC-UHFFFAOYSA-N -1 3 378.352 2.072 20 5 GEBDHM Cc1nn(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822501179 606984670 /nfs/dbraw/zinc/98/46/70/606984670.db2.gz ZKCFOKAKUCMBAC-UHFFFAOYSA-N -1 3 378.352 2.072 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822270948 607004573 /nfs/dbraw/zinc/00/45/73/607004573.db2.gz FHYXFAPUCOWNHT-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822270948 607004575 /nfs/dbraw/zinc/00/45/75/607004575.db2.gz FHYXFAPUCOWNHT-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)c1 ZINC000823647945 607059210 /nfs/dbraw/zinc/05/92/10/607059210.db2.gz QNIPJQHNFSSVEZ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000823620509 607161306 /nfs/dbraw/zinc/16/13/06/607161306.db2.gz MJGORNWMDBGJMT-QPJJXVBHSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000823620509 607161308 /nfs/dbraw/zinc/16/13/08/607161308.db2.gz MJGORNWMDBGJMT-QPJJXVBHSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000826498966 607811395 /nfs/dbraw/zinc/81/13/95/607811395.db2.gz QCUCQINAOOSWIF-IBGZPJMESA-N -1 3 378.392 2.453 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nn[n-]n2)c1 ZINC000826498966 607811396 /nfs/dbraw/zinc/81/13/96/607811396.db2.gz QCUCQINAOOSWIF-IBGZPJMESA-N -1 3 378.392 2.453 20 5 GEBDHM O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826420369 607817028 /nfs/dbraw/zinc/81/70/28/607817028.db2.gz JYVFPGKINBVFGE-UHFFFAOYSA-N -1 3 384.421 2.325 20 5 GEBDHM O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826420369 607817029 /nfs/dbraw/zinc/81/70/29/607817029.db2.gz JYVFPGKINBVFGE-UHFFFAOYSA-N -1 3 384.421 2.325 20 5 GEBDHM Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)C2)n1 ZINC000826299542 607841475 /nfs/dbraw/zinc/84/14/75/607841475.db2.gz KBJSTPCADIYMJA-ZDUSSCGKSA-N -1 3 380.412 2.417 20 5 GEBDHM Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)C2)n1 ZINC000826299542 607841476 /nfs/dbraw/zinc/84/14/76/607841476.db2.gz KBJSTPCADIYMJA-ZDUSSCGKSA-N -1 3 380.412 2.417 20 5 GEBDHM CN(C)c1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000825879315 607851690 /nfs/dbraw/zinc/85/16/90/607851690.db2.gz KWNBUPZZORQIPM-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM CN(C)c1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000825879315 607851691 /nfs/dbraw/zinc/85/16/91/607851691.db2.gz KWNBUPZZORQIPM-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826292161 607866917 /nfs/dbraw/zinc/86/69/17/607866917.db2.gz KKKGCMICMQGGPU-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826292161 607866918 /nfs/dbraw/zinc/86/69/18/607866918.db2.gz KKKGCMICMQGGPU-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC000826292133 607872459 /nfs/dbraw/zinc/87/24/59/607872459.db2.gz JPUUMHZMMFZNTB-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC000826292133 607872460 /nfs/dbraw/zinc/87/24/60/607872460.db2.gz JPUUMHZMMFZNTB-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826499183 607876013 /nfs/dbraw/zinc/87/60/13/607876013.db2.gz YXBCUEZLLWVRAF-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM CCc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000825717736 607877131 /nfs/dbraw/zinc/87/71/31/607877131.db2.gz OXVIVLMDAVGFIE-CQSZACIVSA-N -1 3 385.380 2.156 20 5 GEBDHM C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500598 607979213 /nfs/dbraw/zinc/97/92/13/607979213.db2.gz YKRQMFFQQKSEAA-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500598 607979214 /nfs/dbraw/zinc/97/92/14/607979214.db2.gz YKRQMFFQQKSEAA-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM COc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826194947 608068699 /nfs/dbraw/zinc/06/86/99/608068699.db2.gz BNIVBIAGGFCNDV-GOSISDBHSA-N -1 3 396.407 2.357 20 5 GEBDHM COc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826194947 608068700 /nfs/dbraw/zinc/06/87/00/608068700.db2.gz BNIVBIAGGFCNDV-GOSISDBHSA-N -1 3 396.407 2.357 20 5 GEBDHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826281637 608081781 /nfs/dbraw/zinc/08/17/81/608081781.db2.gz CNQYARKAHGPTBM-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826281637 608081782 /nfs/dbraw/zinc/08/17/82/608081782.db2.gz CNQYARKAHGPTBM-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826500902 608099873 /nfs/dbraw/zinc/09/98/73/608099873.db2.gz RBNPDIGTDCPHHP-GFCCVEGCSA-N -1 3 379.739 2.108 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826500902 608099874 /nfs/dbraw/zinc/09/98/74/608099874.db2.gz RBNPDIGTDCPHHP-GFCCVEGCSA-N -1 3 379.739 2.108 20 5 GEBDHM CC(=CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942520 608141604 /nfs/dbraw/zinc/14/16/04/608141604.db2.gz FANIEOVVOVRZCL-QXMHVHEDSA-N -1 3 395.379 2.229 20 5 GEBDHM CC(=CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942520 608141605 /nfs/dbraw/zinc/14/16/05/608141605.db2.gz FANIEOVVOVRZCL-QXMHVHEDSA-N -1 3 395.379 2.229 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCc3noc(C4CC4)n3)cc(-c3nnn[n-]3)c2c1 ZINC000826499526 608147495 /nfs/dbraw/zinc/14/74/95/608147495.db2.gz MHUGSBPFUUSGIN-UHFFFAOYSA-N -1 3 379.340 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCc3noc(C4CC4)n3)cc(-c3nn[n-]n3)c2c1 ZINC000826499526 608147496 /nfs/dbraw/zinc/14/74/96/608147496.db2.gz MHUGSBPFUUSGIN-UHFFFAOYSA-N -1 3 379.340 2.196 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826440686 608158668 /nfs/dbraw/zinc/15/86/68/608158668.db2.gz WYKSCQVSFGYHEQ-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826440686 608158669 /nfs/dbraw/zinc/15/86/69/608158669.db2.gz WYKSCQVSFGYHEQ-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM CC(C)n1nccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824377650 608161434 /nfs/dbraw/zinc/16/14/34/608161434.db2.gz KBNNTPSXWABNON-UHFFFAOYSA-N -1 3 376.764 2.458 20 5 GEBDHM CC(C)n1nccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824377650 608161436 /nfs/dbraw/zinc/16/14/36/608161436.db2.gz KBNNTPSXWABNON-UHFFFAOYSA-N -1 3 376.764 2.458 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824721452 608183749 /nfs/dbraw/zinc/18/37/49/608183749.db2.gz AQMVLDVKPBPDGU-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824721452 608183750 /nfs/dbraw/zinc/18/37/50/608183750.db2.gz AQMVLDVKPBPDGU-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000826443991 608192980 /nfs/dbraw/zinc/19/29/80/608192980.db2.gz MNRPUQHIZILVRM-UHFFFAOYSA-N -1 3 396.392 2.157 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000826443991 608192982 /nfs/dbraw/zinc/19/29/82/608192982.db2.gz MNRPUQHIZILVRM-UHFFFAOYSA-N -1 3 396.392 2.157 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc([N+](=O)[O-])c1F ZINC000826272547 608246937 /nfs/dbraw/zinc/24/69/37/608246937.db2.gz PEBQJIIXUAIPRV-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc([N+](=O)[O-])c1F ZINC000826272547 608246938 /nfs/dbraw/zinc/24/69/38/608246938.db2.gz PEBQJIIXUAIPRV-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3COC4(CCCC4)O3)cc(-c3nnn[n-]3)c2c1 ZINC000826499744 608294989 /nfs/dbraw/zinc/29/49/89/608294989.db2.gz VNLXDFRAVHZAKJ-GFCCVEGCSA-N -1 3 397.395 2.421 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3COC4(CCCC4)O3)cc(-c3nn[n-]n3)c2c1 ZINC000826499744 608294990 /nfs/dbraw/zinc/29/49/90/608294990.db2.gz VNLXDFRAVHZAKJ-GFCCVEGCSA-N -1 3 397.395 2.421 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826272892 608336534 /nfs/dbraw/zinc/33/65/34/608336534.db2.gz GKUSXXWGTBNJAO-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826272892 608336536 /nfs/dbraw/zinc/33/65/36/608336536.db2.gz GKUSXXWGTBNJAO-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3c4ccccc4C[C@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000826499628 608368707 /nfs/dbraw/zinc/36/87/07/608368707.db2.gz QEOSBJQIEMFPAB-SJLPKXTDSA-N -1 3 389.375 2.393 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3c4ccccc4C[C@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000826499628 608368708 /nfs/dbraw/zinc/36/87/08/608368708.db2.gz QEOSBJQIEMFPAB-SJLPKXTDSA-N -1 3 389.375 2.393 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826302594 608426484 /nfs/dbraw/zinc/42/64/84/608426484.db2.gz NNPOYEOMPOVDKU-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826302594 608426485 /nfs/dbraw/zinc/42/64/85/608426485.db2.gz NNPOYEOMPOVDKU-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826279009 608426716 /nfs/dbraw/zinc/42/67/16/608426716.db2.gz BREWZMMVXATNEL-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826279009 608426718 /nfs/dbraw/zinc/42/67/18/608426718.db2.gz BREWZMMVXATNEL-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826364433 609172562 /nfs/dbraw/zinc/17/25/62/609172562.db2.gz WLILEPYAMPBXLB-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826364433 609172563 /nfs/dbraw/zinc/17/25/63/609172563.db2.gz WLILEPYAMPBXLB-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826424475 609313667 /nfs/dbraw/zinc/31/36/67/609313667.db2.gz NQTUKUOIKBMHFW-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826424475 609313669 /nfs/dbraw/zinc/31/36/69/609313669.db2.gz NQTUKUOIKBMHFW-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000826279001 609326025 /nfs/dbraw/zinc/32/60/25/609326025.db2.gz BNUFZERMOZHTIZ-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000826279001 609326027 /nfs/dbraw/zinc/32/60/27/609326027.db2.gz BNUFZERMOZHTIZ-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM CN(C[C@@H]1CCCC[C@H]1O)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908539 609326066 /nfs/dbraw/zinc/32/60/66/609326066.db2.gz JCOMVXQJEABVRA-MEDUHNTESA-N -1 3 383.412 2.310 20 5 GEBDHM CN(C[C@@H]1CCCC[C@H]1O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908539 609326068 /nfs/dbraw/zinc/32/60/68/609326068.db2.gz JCOMVXQJEABVRA-MEDUHNTESA-N -1 3 383.412 2.310 20 5 GEBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000824293497 609355377 /nfs/dbraw/zinc/35/53/77/609355377.db2.gz ORAAVUVTFIMGNG-UHFFFAOYSA-N -1 3 382.384 2.034 20 5 GEBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000824293497 609355379 /nfs/dbraw/zinc/35/53/79/609355379.db2.gz ORAAVUVTFIMGNG-UHFFFAOYSA-N -1 3 382.384 2.034 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826277023 609381711 /nfs/dbraw/zinc/38/17/11/609381711.db2.gz GFJPJNMSTASDAN-INIZCTEOSA-N -1 3 393.363 2.215 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826277023 609381713 /nfs/dbraw/zinc/38/17/13/609381713.db2.gz GFJPJNMSTASDAN-INIZCTEOSA-N -1 3 393.363 2.215 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000826263742 609383042 /nfs/dbraw/zinc/38/30/42/609383042.db2.gz OPLXHJXFOBHMOQ-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000826263742 609383044 /nfs/dbraw/zinc/38/30/44/609383044.db2.gz OPLXHJXFOBHMOQ-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM COc1cc(COC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826180262 609464862 /nfs/dbraw/zinc/46/48/62/609464862.db2.gz ZSJGXCNOAUNRAM-LLVKDONJSA-N -1 3 399.363 2.294 20 5 GEBDHM COc1cc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826180262 609464864 /nfs/dbraw/zinc/46/48/64/609464864.db2.gz ZSJGXCNOAUNRAM-LLVKDONJSA-N -1 3 399.363 2.294 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826499551 609491379 /nfs/dbraw/zinc/49/13/79/609491379.db2.gz MZMFDCPKNYEBNI-UHFFFAOYSA-N -1 3 391.434 2.341 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826499551 609491383 /nfs/dbraw/zinc/49/13/83/609491383.db2.gz MZMFDCPKNYEBNI-UHFFFAOYSA-N -1 3 391.434 2.341 20 5 GEBDHM CC(=CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943924 609501747 /nfs/dbraw/zinc/50/17/47/609501747.db2.gz VFARKBNCCGYVFG-OUKQBFOZSA-N -1 3 394.391 2.373 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826499752 609513023 /nfs/dbraw/zinc/51/30/23/609513023.db2.gz VPVYBIFLJVKMOO-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826499752 609513024 /nfs/dbraw/zinc/51/30/24/609513024.db2.gz VPVYBIFLJVKMOO-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM Cc1cnc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826319273 609574512 /nfs/dbraw/zinc/57/45/12/609574512.db2.gz WAMLVAKRSINCCQ-CQSZACIVSA-N -1 3 394.395 2.086 20 5 GEBDHM Cc1cnc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826319273 609574515 /nfs/dbraw/zinc/57/45/15/609574515.db2.gz WAMLVAKRSINCCQ-CQSZACIVSA-N -1 3 394.395 2.086 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])s2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478163 609575504 /nfs/dbraw/zinc/57/55/04/609575504.db2.gz VNMCPHRFGKGJAE-LBPRGKRZSA-N -1 3 385.409 2.444 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])s2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478163 609575506 /nfs/dbraw/zinc/57/55/06/609575506.db2.gz VNMCPHRFGKGJAE-LBPRGKRZSA-N -1 3 385.409 2.444 20 5 GEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000447032791 649995214 /nfs/dbraw/zinc/99/52/14/649995214.db2.gz AVEVFKKQXZBTOY-LBPRGKRZSA-N -1 3 379.232 2.062 20 5 GEBDHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CC)C(F)F)cc([N+](=O)[O-])c1C ZINC000451084372 650084642 /nfs/dbraw/zinc/08/46/42/650084642.db2.gz RCDXVCTVPZSWME-LLVKDONJSA-N -1 3 380.369 2.402 20 5 GEBDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452028591 650168177 /nfs/dbraw/zinc/16/81/77/650168177.db2.gz CCSKKPYNLHHZML-UHFFFAOYSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2nnc[nH]2)c2ccccc2)s1 ZINC000509715595 650499524 /nfs/dbraw/zinc/49/95/24/650499524.db2.gz WKGZSPZKEKQGBN-NSHDSACASA-N -1 3 379.423 2.037 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]c2cccc(N3CC[NH+]=C3[O-])c2)cc1[N+](=O)[O-] ZINC000466961484 650500015 /nfs/dbraw/zinc/50/00/15/650500015.db2.gz LDYBWKHBJLCBMU-UHFFFAOYSA-N -1 3 382.423 2.295 20 5 GEBDHM C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000510732373 650518369 /nfs/dbraw/zinc/51/83/69/650518369.db2.gz PTMOLWOOJAAVGX-XMMPIXPASA-N -1 3 386.426 2.091 20 5 GEBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000525174170 650650693 /nfs/dbraw/zinc/65/06/93/650650693.db2.gz ATTVCYMUPOWQHN-UHFFFAOYSA-N -1 3 376.312 2.369 20 5 GEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000534512062 650776274 /nfs/dbraw/zinc/77/62/74/650776274.db2.gz PPWIQNRHKCWQNJ-SSDOTTSWSA-N -1 3 376.740 2.148 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000119358621 643548408 /nfs/dbraw/zinc/54/84/08/643548408.db2.gz DTRKSOQSNSNOIQ-JTQLQIEISA-N -1 3 379.423 2.277 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CCOCC2)c1 ZINC000173086351 644349533 /nfs/dbraw/zinc/34/95/33/644349533.db2.gz SIGOSLOSDCYXFF-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249973817 645563413 /nfs/dbraw/zinc/56/34/13/645563413.db2.gz XUTVGSIYFJJWKF-MVWJERBFSA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000253602786 645571219 /nfs/dbraw/zinc/57/12/19/645571219.db2.gz FNNBDGBQSWDVGR-VXGBXAGGSA-N -1 3 391.877 2.026 20 5 GEBDHM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265234488 645750816 /nfs/dbraw/zinc/75/08/16/645750816.db2.gz VMIVWGCFLOOWSR-WDEREUQCSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCCCC2)c(Br)c1 ZINC000331259825 647374960 /nfs/dbraw/zinc/37/49/60/647374960.db2.gz ALYLMYDPZXBNRS-UHFFFAOYSA-N -1 3 393.259 2.331 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000410168376 647996210 /nfs/dbraw/zinc/99/62/10/647996210.db2.gz ZWPIYEVYEVCXCR-ZYHUDNBSSA-N -1 3 380.369 2.432 20 5 GEBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000416491625 648146703 /nfs/dbraw/zinc/14/67/03/648146703.db2.gz ZUDDUKUYWWWOMV-ZCFIWIBFSA-N -1 3 379.320 2.080 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccn(C)n1 ZINC000416555264 648170020 /nfs/dbraw/zinc/17/00/20/648170020.db2.gz DUKOWOUDEMZAJL-QMMMGPOBSA-N -1 3 378.332 2.387 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2n[nH]cc2Br)c(Cl)c1 ZINC000553797191 651189044 /nfs/dbraw/zinc/18/90/44/651189044.db2.gz CUOUFGNXCRYUSU-UHFFFAOYSA-N -1 3 395.622 2.212 20 5 GEBDHM O=C(Nc1cnc2c(Br)cccn12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000556899044 651256714 /nfs/dbraw/zinc/25/67/14/651256714.db2.gz VXEGDGDAMZFUOX-UHFFFAOYSA-N -1 3 378.142 2.358 20 5 GEBDHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000728587437 651548293 /nfs/dbraw/zinc/54/82/93/651548293.db2.gz PMWBDESIMWXHJX-UHFFFAOYSA-N -1 3 393.849 2.393 20 5 GEBDHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000610471130 651663611 /nfs/dbraw/zinc/66/36/11/651663611.db2.gz FILKMCOHSQWSHC-UHFFFAOYSA-N -1 3 376.847 2.249 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c(Br)c1 ZINC000615187120 651854848 /nfs/dbraw/zinc/85/48/48/651854848.db2.gz BSKHFIKXHWSYKZ-WCQGTBRESA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c(Br)c1 ZINC000576743624 652141861 /nfs/dbraw/zinc/14/18/61/652141861.db2.gz PISDFXVCRNYDQG-GFCCVEGCSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601374673 653089344 /nfs/dbraw/zinc/08/93/44/653089344.db2.gz HYMZBIFIACVPNI-IAQYHMDHSA-N -1 3 390.458 2.375 20 5 GEBDHM C[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCOC1 ZINC000771817057 653128791 /nfs/dbraw/zinc/12/87/91/653128791.db2.gz BPQTXLGDSQFMHL-GFCCVEGCSA-N -1 3 379.232 2.205 20 5 GEBDHM 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380.369 2.432 20 5 GEBDHM Cn1c(=O)[n-]nc1SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558465799 532391979 /nfs/dbraw/zinc/39/19/79/532391979.db2.gz NMRMAKOJLGQRPB-UHFFFAOYSA-N -1 3 392.178 2.326 20 5 GEBDHM C[C@H](CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295190971 532415863 /nfs/dbraw/zinc/41/58/63/532415863.db2.gz DAPZALWNQZXVKX-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000295238433 532424777 /nfs/dbraw/zinc/42/47/77/532424777.db2.gz JDQUYMQFSWMIEK-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000466887039 532437051 /nfs/dbraw/zinc/43/70/51/532437051.db2.gz HQFHBRHELUPQCC-GFCCVEGCSA-N -1 3 381.248 2.307 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467408489 532446489 /nfs/dbraw/zinc/44/64/89/532446489.db2.gz WYNFGKGBQASMSF-LLVKDONJSA-N -1 3 381.435 2.049 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCc2cscn2)c1 ZINC000467787980 532454399 /nfs/dbraw/zinc/45/43/99/532454399.db2.gz IDZDDRKIQXSOPD-UHFFFAOYSA-N -1 3 392.256 2.335 20 5 GEBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000296228503 532508291 /nfs/dbraw/zinc/50/82/91/532508291.db2.gz OGTPGHBBBMEQLU-SECBINFHSA-N -1 3 386.348 2.239 20 5 GEBDHM C[C@H]1CN(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432337332 532535651 /nfs/dbraw/zinc/53/56/51/532535651.db2.gz BAUSFPADUFRDOG-LBPRGKRZSA-N -1 3 391.877 2.027 20 5 GEBDHM CC(=O)NCc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000594792266 532530463 /nfs/dbraw/zinc/53/04/63/532530463.db2.gz YNENOLZDGIINAZ-UHFFFAOYSA-N -1 3 383.451 2.079 20 5 GEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595353749 532560031 /nfs/dbraw/zinc/56/00/31/532560031.db2.gz KBGHYBVMDGMYQJ-LLVKDONJSA-N -1 3 392.275 2.120 20 5 GEBDHM O=c1[n-]ccc(N2CCN(c3ccc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000596075559 532585142 /nfs/dbraw/zinc/58/51/42/532585142.db2.gz HDXCOYZSOKQAPX-UHFFFAOYSA-N 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Cc1cc(Cl)c(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000268247516 532758490 /nfs/dbraw/zinc/75/84/90/532758490.db2.gz OCWRJMCJEOJXTC-NSHDSACASA-N -1 3 378.834 2.031 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(CCN2CCOCC2)c1 ZINC000268475668 532766540 /nfs/dbraw/zinc/76/65/40/532766540.db2.gz JJIXJZWMIZDCLX-UHFFFAOYSA-N -1 3 397.233 2.025 20 5 GEBDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452033262 532770796 /nfs/dbraw/zinc/77/07/96/532770796.db2.gz PNKYOYJXBJCQRE-UHFFFAOYSA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1ccsc1 ZINC000326823177 532791002 /nfs/dbraw/zinc/79/10/02/532791002.db2.gz IUHAPQHXBRFHHM-SNVBAGLBSA-N -1 3 384.435 2.352 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCCCS(C)(=O)=O)c1 ZINC000274760267 532856156 /nfs/dbraw/zinc/85/61/56/532856156.db2.gz SJMPSDZHCRJFHQ-UHFFFAOYSA-N -1 3 398.890 2.050 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c(Br)c1 ZINC000275233925 532869236 /nfs/dbraw/zinc/86/92/36/532869236.db2.gz WCSHSFQYQAOTCR-CABZTGNLSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1 ZINC000416436936 532876949 /nfs/dbraw/zinc/87/69/49/532876949.db2.gz FOBOKBZNMMHPQA-HOMQSWHASA-N -1 3 382.360 2.443 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000736949938 598937689 /nfs/dbraw/zinc/93/76/89/598937689.db2.gz WFRHQICSDUPVBQ-UHFFFAOYSA-N -1 3 376.716 2.402 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736949938 598937690 /nfs/dbraw/zinc/93/76/90/598937690.db2.gz WFRHQICSDUPVBQ-UHFFFAOYSA-N -1 3 376.716 2.402 20 5 GEBDHM C[C@@H](c1cccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736204753 598944040 /nfs/dbraw/zinc/94/40/40/598944040.db2.gz UNTVDPSBVLORRH-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM Cc1c(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cccc1-c1nnn[n-]1 ZINC000822116363 607257157 /nfs/dbraw/zinc/25/71/57/607257157.db2.gz QCIZOFMAWOWMKR-MRXNPFEDSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1c(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cccc1-c1nn[n-]n1 ZINC000822116363 607257158 /nfs/dbraw/zinc/25/71/58/607257158.db2.gz QCIZOFMAWOWMKR-MRXNPFEDSA-N -1 3 379.380 2.301 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000821727366 607257226 /nfs/dbraw/zinc/25/72/26/607257226.db2.gz IJFFXBLECNQGGP-UHFFFAOYSA-N -1 3 383.368 2.143 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000821727366 607257227 /nfs/dbraw/zinc/25/72/27/607257227.db2.gz IJFFXBLECNQGGP-UHFFFAOYSA-N -1 3 383.368 2.143 20 5 GEBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000820768384 599043739 /nfs/dbraw/zinc/04/37/39/599043739.db2.gz NEGNOKPEPFUJSP-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000820768384 599043743 /nfs/dbraw/zinc/04/37/43/599043743.db2.gz NEGNOKPEPFUJSP-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM COc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737052893 599061425 /nfs/dbraw/zinc/06/14/25/599061425.db2.gz CETGRVATBQBBLH-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737052893 599061428 /nfs/dbraw/zinc/06/14/28/599061428.db2.gz CETGRVATBQBBLH-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM O=C(NC1CC1)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000823145776 599071527 /nfs/dbraw/zinc/07/15/27/599071527.db2.gz SUFPIOKYTSDJLB-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM O=C(NC1CC1)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000823145776 599071530 /nfs/dbraw/zinc/07/15/30/599071530.db2.gz SUFPIOKYTSDJLB-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM O=C1CCCCN1CC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000823530049 599083834 /nfs/dbraw/zinc/08/38/34/599083834.db2.gz AURUGWASOPWTSB-UHFFFAOYSA-N -1 3 385.428 2.004 20 5 GEBDHM O=C1CCCCN1CC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000823530049 599083836 /nfs/dbraw/zinc/08/38/36/599083836.db2.gz AURUGWASOPWTSB-UHFFFAOYSA-N -1 3 385.428 2.004 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2nc(C(F)(F)F)cs2)c(-c2nnn[n-]2)c1 ZINC000823650807 599106203 /nfs/dbraw/zinc/10/62/03/599106203.db2.gz BAXDWJLWNAUDHC-UHFFFAOYSA-N -1 3 386.319 2.300 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2nc(C(F)(F)F)cs2)c(-c2nn[n-]n2)c1 ZINC000823650807 599106206 /nfs/dbraw/zinc/10/62/06/599106206.db2.gz BAXDWJLWNAUDHC-UHFFFAOYSA-N -1 3 386.319 2.300 20 5 GEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738313622 599160140 /nfs/dbraw/zinc/16/01/40/599160140.db2.gz KHBBFHPPGLDSEF-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738313622 599160142 /nfs/dbraw/zinc/16/01/42/599160142.db2.gz KHBBFHPPGLDSEF-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM CC(C)Oc1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735916007 599170566 /nfs/dbraw/zinc/17/05/66/599170566.db2.gz YMDGFFMEEABCDF-HNNXBMFYSA-N -1 3 385.384 2.103 20 5 GEBDHM CC(C)Oc1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735916007 599170568 /nfs/dbraw/zinc/17/05/68/599170568.db2.gz YMDGFFMEEABCDF-HNNXBMFYSA-N -1 3 385.384 2.103 20 5 GEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822958727 599177274 /nfs/dbraw/zinc/17/72/74/599177274.db2.gz DOGWCHFHGSKGDS-UHFFFAOYSA-N -1 3 399.386 2.423 20 5 GEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822958727 599177276 /nfs/dbraw/zinc/17/72/76/599177276.db2.gz DOGWCHFHGSKGDS-UHFFFAOYSA-N -1 3 399.386 2.423 20 5 GEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823083097 599180049 /nfs/dbraw/zinc/18/00/49/599180049.db2.gz WACXUSYSJJQKGC-UHFFFAOYSA-N -1 3 390.762 2.426 20 5 GEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823083097 599180056 /nfs/dbraw/zinc/18/00/56/599180056.db2.gz WACXUSYSJJQKGC-UHFFFAOYSA-N -1 3 390.762 2.426 20 5 GEBDHM COCCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736989069 599202234 /nfs/dbraw/zinc/20/22/34/599202234.db2.gz UWDMXYNVYQPLNS-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM COCCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736989069 599202235 /nfs/dbraw/zinc/20/22/35/599202235.db2.gz UWDMXYNVYQPLNS-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000737031399 598234609 /nfs/dbraw/zinc/23/46/09/598234609.db2.gz BGGNYALZWZIMND-UHFFFAOYSA-N -1 3 382.336 2.461 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000737031399 598234612 /nfs/dbraw/zinc/23/46/12/598234612.db2.gz BGGNYALZWZIMND-UHFFFAOYSA-N -1 3 382.336 2.461 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1-c1nnn[n-]1 ZINC000738368882 598259786 /nfs/dbraw/zinc/25/97/86/598259786.db2.gz FHRUSOFARMBGFB-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1-c1nn[n-]n1 ZINC000738368882 598259787 /nfs/dbraw/zinc/25/97/87/598259787.db2.gz FHRUSOFARMBGFB-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM NC(=O)c1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737760609 598313947 /nfs/dbraw/zinc/31/39/47/598313947.db2.gz PAQVHTUVEJEOSL-UHFFFAOYSA-N -1 3 388.384 2.446 20 5 GEBDHM NC(=O)c1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737760609 598313949 /nfs/dbraw/zinc/31/39/49/598313949.db2.gz PAQVHTUVEJEOSL-UHFFFAOYSA-N -1 3 388.384 2.446 20 5 GEBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000821413313 607350595 /nfs/dbraw/zinc/35/05/95/607350595.db2.gz ZZLYCEIZWNLYQV-UHFFFAOYSA-N -1 3 386.372 2.272 20 5 GEBDHM COC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000736892939 598427130 /nfs/dbraw/zinc/42/71/30/598427130.db2.gz QIMZXUWRQXAYQW-CQSZACIVSA-N -1 3 382.380 2.452 20 5 GEBDHM COC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000736892939 598427132 /nfs/dbraw/zinc/42/71/32/598427132.db2.gz QIMZXUWRQXAYQW-CQSZACIVSA-N -1 3 382.380 2.452 20 5 GEBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000735661175 598489670 /nfs/dbraw/zinc/48/96/70/598489670.db2.gz SBGGZAGPJPLJEL-UHFFFAOYSA-N -1 3 385.384 2.349 20 5 GEBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000735661175 598489672 /nfs/dbraw/zinc/48/96/72/598489672.db2.gz SBGGZAGPJPLJEL-UHFFFAOYSA-N -1 3 385.384 2.349 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2cccc(OC[C@H]3CCCO3)c2)c(-c2nnn[n-]2)c1 ZINC000738374203 598498710 /nfs/dbraw/zinc/49/87/10/598498710.db2.gz KXLARFKBGQERRO-CQSZACIVSA-N -1 3 383.368 2.471 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2cccc(OC[C@H]3CCCO3)c2)c(-c2nn[n-]n2)c1 ZINC000738374203 598498712 /nfs/dbraw/zinc/49/87/12/598498712.db2.gz KXLARFKBGQERRO-CQSZACIVSA-N -1 3 383.368 2.471 20 5 GEBDHM CN(Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736830047 598506654 /nfs/dbraw/zinc/50/66/54/598506654.db2.gz HCZHWZVXGFPPHS-UHFFFAOYSA-N -1 3 382.306 2.170 20 5 GEBDHM CN(Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736830047 598506656 /nfs/dbraw/zinc/50/66/56/598506656.db2.gz HCZHWZVXGFPPHS-UHFFFAOYSA-N -1 3 382.306 2.170 20 5 GEBDHM COc1ccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000737085791 598531680 /nfs/dbraw/zinc/53/16/80/598531680.db2.gz BEXNSSRKDDZUNG-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM COc1ccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000737085791 598531682 /nfs/dbraw/zinc/53/16/82/598531682.db2.gz BEXNSSRKDDZUNG-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000737921781 598550782 /nfs/dbraw/zinc/55/07/82/598550782.db2.gz XSZAUKVHBNTLGG-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000737921781 598550783 /nfs/dbraw/zinc/55/07/83/598550783.db2.gz XSZAUKVHBNTLGG-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736817751 598580349 /nfs/dbraw/zinc/58/03/49/598580349.db2.gz ISHGGDXQNPXZLP-QGZVFWFLSA-N -1 3 393.407 2.012 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738165236 598583948 /nfs/dbraw/zinc/58/39/48/598583948.db2.gz HFKCMUKARAXDOS-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738165236 598583950 /nfs/dbraw/zinc/58/39/50/598583950.db2.gz HFKCMUKARAXDOS-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115719 598597233 /nfs/dbraw/zinc/59/72/33/598597233.db2.gz AOJLXFSOUVHQBO-LBPRGKRZSA-N -1 3 397.395 2.214 20 5 GEBDHM C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115719 598597235 /nfs/dbraw/zinc/59/72/35/598597235.db2.gz AOJLXFSOUVHQBO-LBPRGKRZSA-N -1 3 397.395 2.214 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000737942068 598663938 /nfs/dbraw/zinc/66/39/38/598663938.db2.gz SZFRNHYEDBXQNF-UHFFFAOYSA-N -1 3 399.436 2.095 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000737942068 598663939 /nfs/dbraw/zinc/66/39/39/598663939.db2.gz SZFRNHYEDBXQNF-UHFFFAOYSA-N -1 3 399.436 2.095 20 5 GEBDHM CN(c1ccccc1)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736842602 598673883 /nfs/dbraw/zinc/67/38/83/598673883.db2.gz DGSKYBZIORJUOH-UHFFFAOYSA-N -1 3 380.412 2.275 20 5 GEBDHM CN(c1ccccc1)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736842602 598673885 /nfs/dbraw/zinc/67/38/85/598673885.db2.gz DGSKYBZIORJUOH-UHFFFAOYSA-N -1 3 380.412 2.275 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826421055 607363469 /nfs/dbraw/zinc/36/34/69/607363469.db2.gz PMUQQTVGNJRFAA-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826421055 607363470 /nfs/dbraw/zinc/36/34/70/607363470.db2.gz PMUQQTVGNJRFAA-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738271919 598747852 /nfs/dbraw/zinc/74/78/52/598747852.db2.gz WPNBXEOTQLGRHF-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736187983 598802304 /nfs/dbraw/zinc/80/23/04/598802304.db2.gz FUYNHWFQIFVDPR-QMMMGPOBSA-N -1 3 389.759 2.229 20 5 GEBDHM C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736187983 598802306 /nfs/dbraw/zinc/80/23/06/598802306.db2.gz FUYNHWFQIFVDPR-QMMMGPOBSA-N -1 3 389.759 2.229 20 5 GEBDHM CNC(=O)c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000736878713 598814200 /nfs/dbraw/zinc/81/42/00/598814200.db2.gz XIHBFYYJMJGPAW-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM CNC(=O)c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000736878713 598814202 /nfs/dbraw/zinc/81/42/02/598814202.db2.gz XIHBFYYJMJGPAW-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM NC(=O)c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000737761448 598814905 /nfs/dbraw/zinc/81/49/05/598814905.db2.gz XGPOMGABRRTCBA-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM NC(=O)c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000737761448 598814906 /nfs/dbraw/zinc/81/49/06/598814906.db2.gz XGPOMGABRRTCBA-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822332781 599323948 /nfs/dbraw/zinc/32/39/48/599323948.db2.gz STHCRKGGRQSDKI-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826415346 607370949 /nfs/dbraw/zinc/37/09/49/607370949.db2.gz AXEQWPBMNTXPMK-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826415346 607370951 /nfs/dbraw/zinc/37/09/51/607370951.db2.gz AXEQWPBMNTXPMK-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM COC(=O)c1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000736951221 599389200 /nfs/dbraw/zinc/38/92/00/599389200.db2.gz PEXIFTAWWCJCFP-UHFFFAOYSA-N -1 3 396.363 2.133 20 5 GEBDHM COC(=O)c1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000736951221 599389202 /nfs/dbraw/zinc/38/92/02/599389202.db2.gz PEXIFTAWWCJCFP-UHFFFAOYSA-N -1 3 396.363 2.133 20 5 GEBDHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820367936 599422612 /nfs/dbraw/zinc/42/26/12/599422612.db2.gz VTKCVLMWZISUCI-GFCCVEGCSA-N -1 3 397.395 2.214 20 5 GEBDHM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826416031 607378716 /nfs/dbraw/zinc/37/87/16/607378716.db2.gz FCCKLKUSTDHVOL-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826416031 607378718 /nfs/dbraw/zinc/37/87/18/607378718.db2.gz FCCKLKUSTDHVOL-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000821752083 607379016 /nfs/dbraw/zinc/37/90/16/607379016.db2.gz FYDONSJMGGEECL-UHFFFAOYSA-N -1 3 394.189 2.099 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000821752083 607379018 /nfs/dbraw/zinc/37/90/18/607379018.db2.gz FYDONSJMGGEECL-UHFFFAOYSA-N -1 3 394.189 2.099 20 5 GEBDHM C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820365953 599455759 /nfs/dbraw/zinc/45/57/59/599455759.db2.gz MFUKZXNHNCUWPA-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820365953 599455761 /nfs/dbraw/zinc/45/57/61/599455761.db2.gz MFUKZXNHNCUWPA-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM Cc1n[nH]cc1CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822015055 599470034 /nfs/dbraw/zinc/47/00/34/599470034.db2.gz BGXXARMTTDPNJP-UHFFFAOYSA-N -1 3 379.384 2.399 20 5 GEBDHM Cc1n[nH]cc1CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822015055 599470035 /nfs/dbraw/zinc/47/00/35/599470035.db2.gz BGXXARMTTDPNJP-UHFFFAOYSA-N -1 3 379.384 2.399 20 5 GEBDHM COc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821727054 599536958 /nfs/dbraw/zinc/53/69/58/599536958.db2.gz AEVLMSKLOYNWKE-NSHDSACASA-N -1 3 398.379 2.040 20 5 GEBDHM COc1cc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821727054 599536962 /nfs/dbraw/zinc/53/69/62/599536962.db2.gz AEVLMSKLOYNWKE-NSHDSACASA-N -1 3 398.379 2.040 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822130784 599553441 /nfs/dbraw/zinc/55/34/41/599553441.db2.gz YKVPHWBOGCYFPP-SNVBAGLBSA-N -1 3 397.351 2.483 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822130784 599553443 /nfs/dbraw/zinc/55/34/43/599553443.db2.gz YKVPHWBOGCYFPP-SNVBAGLBSA-N -1 3 397.351 2.483 20 5 GEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820570700 599563079 /nfs/dbraw/zinc/56/30/79/599563079.db2.gz PIKPRFAPEVMOJC-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820570700 599563082 /nfs/dbraw/zinc/56/30/82/599563082.db2.gz PIKPRFAPEVMOJC-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1csc([N+](=O)[O-])c1 ZINC000823444729 599657935 /nfs/dbraw/zinc/65/79/35/599657935.db2.gz NXRAMFFKLVGZLN-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1csc([N+](=O)[O-])c1 ZINC000823444729 599657936 /nfs/dbraw/zinc/65/79/36/599657936.db2.gz NXRAMFFKLVGZLN-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737346842 599708465 /nfs/dbraw/zinc/70/84/65/599708465.db2.gz DHGYJBFCRUZGNF-DYLHUKMJSA-N -1 3 390.440 2.047 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826302849 607593106 /nfs/dbraw/zinc/59/31/06/607593106.db2.gz UNWCVXDSRYBCBI-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826302849 607593108 /nfs/dbraw/zinc/59/31/08/607593108.db2.gz UNWCVXDSRYBCBI-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM CNc1ccc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826090363 607593323 /nfs/dbraw/zinc/59/33/23/607593323.db2.gz GKSVXMWBLNDRAR-UHFFFAOYSA-N -1 3 384.352 2.182 20 5 GEBDHM CNc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826090363 607593325 /nfs/dbraw/zinc/59/33/25/607593325.db2.gz GKSVXMWBLNDRAR-UHFFFAOYSA-N -1 3 384.352 2.182 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826418661 607594570 /nfs/dbraw/zinc/59/45/70/607594570.db2.gz QJWVHPXOCUJSHS-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826418661 607594572 /nfs/dbraw/zinc/59/45/72/607594572.db2.gz QJWVHPXOCUJSHS-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM C[C@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833406402 605380627 /nfs/dbraw/zinc/38/06/27/605380627.db2.gz DLHBFIDAMMHHFH-GUYCJALGSA-N -1 3 392.433 2.420 20 5 GEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823031439 606172011 /nfs/dbraw/zinc/17/20/11/606172011.db2.gz AUKBTDKOPPBAHA-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823031439 606172012 /nfs/dbraw/zinc/17/20/12/606172012.db2.gz AUKBTDKOPPBAHA-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640262 606301334 /nfs/dbraw/zinc/30/13/34/606301334.db2.gz DWCAGIWHOOVRSI-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640262 606301335 /nfs/dbraw/zinc/30/13/35/606301335.db2.gz DWCAGIWHOOVRSI-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508573 606346369 /nfs/dbraw/zinc/34/63/69/606346369.db2.gz RWAWVRFSLKMBDM-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508573 606346371 /nfs/dbraw/zinc/34/63/71/606346371.db2.gz RWAWVRFSLKMBDM-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648413 606373530 /nfs/dbraw/zinc/37/35/30/606373530.db2.gz JKJSJBCEWNMTHP-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648413 606373532 /nfs/dbraw/zinc/37/35/32/606373532.db2.gz JKJSJBCEWNMTHP-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648668 606380119 /nfs/dbraw/zinc/38/01/19/606380119.db2.gz PHJAXGZTNUWNEG-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648668 606380120 /nfs/dbraw/zinc/38/01/20/606380120.db2.gz PHJAXGZTNUWNEG-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648667 606380342 /nfs/dbraw/zinc/38/03/42/606380342.db2.gz PHJAXGZTNUWNEG-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648667 606380343 /nfs/dbraw/zinc/38/03/43/606380343.db2.gz PHJAXGZTNUWNEG-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM CC(C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988349 606545380 /nfs/dbraw/zinc/54/53/80/606545380.db2.gz YSFAUPGOAOQRHE-UHFFFAOYSA-N -1 3 382.380 2.205 20 5 GEBDHM CC[C@@H](N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920359 606621740 /nfs/dbraw/zinc/62/17/40/606621740.db2.gz PGNRKWWSENEIRI-HZPDHXFCSA-N -1 3 381.396 2.042 20 5 GEBDHM CC[C@@H](N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920359 606621742 /nfs/dbraw/zinc/62/17/42/606621742.db2.gz PGNRKWWSENEIRI-HZPDHXFCSA-N -1 3 381.396 2.042 20 5 GEBDHM Cc1nccn1-c1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822478440 606705538 /nfs/dbraw/zinc/70/55/38/606705538.db2.gz RYCIUIHZLVITSZ-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM Cc1nccn1-c1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822478440 606705540 /nfs/dbraw/zinc/70/55/40/606705540.db2.gz RYCIUIHZLVITSZ-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000819928075 606723985 /nfs/dbraw/zinc/72/39/85/606723985.db2.gz HPBSYRRAUUJJOJ-NSHDSACASA-N -1 3 389.416 2.118 20 5 GEBDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000819928075 606723988 /nfs/dbraw/zinc/72/39/88/606723988.db2.gz HPBSYRRAUUJJOJ-NSHDSACASA-N -1 3 389.416 2.118 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821896870 606809252 /nfs/dbraw/zinc/80/92/52/606809252.db2.gz CWUWVHVDQRGLBZ-LBPRGKRZSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821896870 606809253 /nfs/dbraw/zinc/80/92/53/606809253.db2.gz CWUWVHVDQRGLBZ-LBPRGKRZSA-N -1 3 381.396 2.474 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823040394 606942489 /nfs/dbraw/zinc/94/24/89/606942489.db2.gz JRTPGNVZKXNFIX-UHFFFAOYSA-N -1 3 399.363 2.166 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823040394 606942490 /nfs/dbraw/zinc/94/24/90/606942490.db2.gz JRTPGNVZKXNFIX-UHFFFAOYSA-N -1 3 399.363 2.166 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821845545 606946370 /nfs/dbraw/zinc/94/63/70/606946370.db2.gz HTCKZZKRMCBCKN-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821845545 606946371 /nfs/dbraw/zinc/94/63/71/606946371.db2.gz HTCKZZKRMCBCKN-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC(c3nc4ccccc4s3)C2)c(-c2nnn[n-]2)c1 ZINC000823646770 607022286 /nfs/dbraw/zinc/02/22/86/607022286.db2.gz AEKMRDNHGRFMBF-UHFFFAOYSA-N -1 3 380.393 2.383 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC(c3nc4ccccc4s3)C2)c(-c2nn[n-]n2)c1 ZINC000823646770 607022287 /nfs/dbraw/zinc/02/22/87/607022287.db2.gz AEKMRDNHGRFMBF-UHFFFAOYSA-N -1 3 380.393 2.383 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821589578 607077106 /nfs/dbraw/zinc/07/71/06/607077106.db2.gz ULLFKKCSKOANCH-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821589578 607077108 /nfs/dbraw/zinc/07/71/08/607077108.db2.gz ULLFKKCSKOANCH-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077992 607133811 /nfs/dbraw/zinc/13/38/11/607133811.db2.gz CYZMGMMHTODJOD-HUUCEWRRSA-N -1 3 397.395 2.241 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077992 607133813 /nfs/dbraw/zinc/13/38/13/607133813.db2.gz CYZMGMMHTODJOD-HUUCEWRRSA-N -1 3 397.395 2.241 20 5 GEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380769 607796996 /nfs/dbraw/zinc/79/69/96/607796996.db2.gz STWXLGWMMYBUGG-UHFFFAOYSA-N -1 3 396.363 2.213 20 5 GEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380769 607796997 /nfs/dbraw/zinc/79/69/97/607796997.db2.gz STWXLGWMMYBUGG-UHFFFAOYSA-N -1 3 396.363 2.213 20 5 GEBDHM CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825999175 607848152 /nfs/dbraw/zinc/84/81/52/607848152.db2.gz PGINUVNYGYMINS-UHFFFAOYSA-N -1 3 395.358 2.266 20 5 GEBDHM CC(C)COc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824271526 607862651 /nfs/dbraw/zinc/86/26/51/607862651.db2.gz OJELKXPYKIPLHB-UHFFFAOYSA-N -1 3 389.153 2.414 20 5 GEBDHM CC(C)COc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824271526 607862652 /nfs/dbraw/zinc/86/26/52/607862652.db2.gz OJELKXPYKIPLHB-UHFFFAOYSA-N -1 3 389.153 2.414 20 5 GEBDHM O=[N+]([O-])c1cccc([C@@H](O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826499589 607868560 /nfs/dbraw/zinc/86/85/60/607868560.db2.gz ONAIASKNZQHXBS-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1cccc([C@@H](O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826499589 607868561 /nfs/dbraw/zinc/86/85/61/607868561.db2.gz ONAIASKNZQHXBS-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM Cc1ccc(C)c(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826285098 607876503 /nfs/dbraw/zinc/87/65/03/607876503.db2.gz PJIYKAONCXSQMN-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(C)c(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826285098 607876504 /nfs/dbraw/zinc/87/65/04/607876504.db2.gz PJIYKAONCXSQMN-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(C)c(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826285099 607876527 /nfs/dbraw/zinc/87/65/27/607876527.db2.gz PJIYKAONCXSQMN-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(C)c(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826285099 607876528 /nfs/dbraw/zinc/87/65/28/607876528.db2.gz PJIYKAONCXSQMN-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM O=C(CCCn1ccnc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826407026 607878354 /nfs/dbraw/zinc/87/83/54/607878354.db2.gz XWBVFIRKMOPRTJ-UHFFFAOYSA-N -1 3 376.764 2.044 20 5 GEBDHM O=C(CCCn1ccnc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826407026 607878355 /nfs/dbraw/zinc/87/83/55/607878355.db2.gz XWBVFIRKMOPRTJ-UHFFFAOYSA-N -1 3 376.764 2.044 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826424353 607953776 /nfs/dbraw/zinc/95/37/76/607953776.db2.gz IKNFROQQQGECQW-UHFFFAOYSA-N -1 3 389.375 2.319 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826424353 607953777 /nfs/dbraw/zinc/95/37/77/607953777.db2.gz IKNFROQQQGECQW-UHFFFAOYSA-N -1 3 389.375 2.319 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421308 607996212 /nfs/dbraw/zinc/99/62/12/607996212.db2.gz BFNIVXDAHWYKMO-UHFFFAOYSA-N -1 3 389.375 2.388 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421308 607996213 /nfs/dbraw/zinc/99/62/13/607996213.db2.gz BFNIVXDAHWYKMO-UHFFFAOYSA-N -1 3 389.375 2.388 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826293701 608084783 /nfs/dbraw/zinc/08/47/83/608084783.db2.gz YURJFYBDDBVQQG-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826293701 608084784 /nfs/dbraw/zinc/08/47/84/608084784.db2.gz YURJFYBDDBVQQG-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM CC(=O)c1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n(C)c1 ZINC000824010123 608160424 /nfs/dbraw/zinc/16/04/24/608160424.db2.gz JCDLSGVSRDWYGX-UHFFFAOYSA-N -1 3 389.759 2.222 20 5 GEBDHM CC(=O)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n(C)c1 ZINC000824010123 608160426 /nfs/dbraw/zinc/16/04/26/608160426.db2.gz JCDLSGVSRDWYGX-UHFFFAOYSA-N -1 3 389.759 2.222 20 5 GEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000825796727 608177643 /nfs/dbraw/zinc/17/76/43/608177643.db2.gz KRZWFCWPCDCZQC-UHFFFAOYSA-N -1 3 378.352 2.397 20 5 GEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000825796727 608177644 /nfs/dbraw/zinc/17/76/44/608177644.db2.gz KRZWFCWPCDCZQC-UHFFFAOYSA-N -1 3 378.352 2.397 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000826173527 608264599 /nfs/dbraw/zinc/26/45/99/608264599.db2.gz IDZWIOPEUAIDEI-UHFFFAOYSA-N -1 3 394.189 2.099 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000826173527 608264601 /nfs/dbraw/zinc/26/46/01/608264601.db2.gz IDZWIOPEUAIDEI-UHFFFAOYSA-N -1 3 394.189 2.099 20 5 GEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379908 608345345 /nfs/dbraw/zinc/34/53/45/608345345.db2.gz MAYPSFPBMOUTQU-UHFFFAOYSA-N -1 3 375.776 2.434 20 5 GEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379908 608345347 /nfs/dbraw/zinc/34/53/47/608345347.db2.gz MAYPSFPBMOUTQU-UHFFFAOYSA-N -1 3 375.776 2.434 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826112062 608392336 /nfs/dbraw/zinc/39/23/36/608392336.db2.gz RLYHAFRAQNLCOR-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826112062 608392338 /nfs/dbraw/zinc/39/23/38/608392338.db2.gz RLYHAFRAQNLCOR-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM O=c1c([N+](=O)[O-])cc(Cl)cn1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826501183 608405966 /nfs/dbraw/zinc/40/59/66/608405966.db2.gz DCYNBHWDLOOJLK-UHFFFAOYSA-N -1 3 376.760 2.059 20 5 GEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000824731340 608433499 /nfs/dbraw/zinc/43/34/99/608433499.db2.gz UQBCAXLTUVLUFB-RYUDHWBXSA-N -1 3 382.380 2.420 20 5 GEBDHM COc1cc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826179138 608522875 /nfs/dbraw/zinc/52/28/75/608522875.db2.gz AKAJQCDPNIDZMR-UHFFFAOYSA-N -1 3 384.396 2.424 20 5 GEBDHM Cc1oc(NC(=O)CN[C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826341223 608564819 /nfs/dbraw/zinc/56/48/19/608564819.db2.gz APHXCGYFBWZWSS-SNVBAGLBSA-N -1 3 385.384 2.274 20 5 GEBDHM Cc1oc(NC(=O)CN[C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826341223 608564820 /nfs/dbraw/zinc/56/48/20/608564820.db2.gz APHXCGYFBWZWSS-SNVBAGLBSA-N -1 3 385.384 2.274 20 5 GEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826423812 608572596 /nfs/dbraw/zinc/57/25/96/608572596.db2.gz IAMLKDAREVCPTF-UHFFFAOYSA-N -1 3 379.380 2.230 20 5 GEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826423812 608572599 /nfs/dbraw/zinc/57/25/99/608572599.db2.gz IAMLKDAREVCPTF-UHFFFAOYSA-N -1 3 379.380 2.230 20 5 GEBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826453467 608844791 /nfs/dbraw/zinc/84/47/91/608844791.db2.gz LPQPKKJDJGHDHO-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826453467 608844794 /nfs/dbraw/zinc/84/47/94/608844794.db2.gz LPQPKKJDJGHDHO-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ncc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826409270 608875352 /nfs/dbraw/zinc/87/53/52/608875352.db2.gz PQRIGUGHCWEKGV-UHFFFAOYSA-N -1 3 390.363 2.289 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ncc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826409270 608875354 /nfs/dbraw/zinc/87/53/54/608875354.db2.gz PQRIGUGHCWEKGV-UHFFFAOYSA-N -1 3 390.363 2.289 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826272313 609163743 /nfs/dbraw/zinc/16/37/43/609163743.db2.gz DEQDENOAQXTOKD-UHFFFAOYSA-N -1 3 383.364 2.248 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826272313 609163744 /nfs/dbraw/zinc/16/37/44/609163744.db2.gz DEQDENOAQXTOKD-UHFFFAOYSA-N -1 3 383.364 2.248 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826272692 609163756 /nfs/dbraw/zinc/16/37/56/609163756.db2.gz WYQWIGVTDZLHRP-UHFFFAOYSA-N -1 3 399.363 2.084 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826272639 609163833 /nfs/dbraw/zinc/16/38/33/609163833.db2.gz UHJLXSIXHCXKTL-UHFFFAOYSA-N -1 3 375.366 2.381 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826272639 609163835 /nfs/dbraw/zinc/16/38/35/609163835.db2.gz UHJLXSIXHCXKTL-UHFFFAOYSA-N -1 3 375.366 2.381 20 5 GEBDHM CCc1nn(C)c(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000825759289 609165893 /nfs/dbraw/zinc/16/58/93/609165893.db2.gz BLZFUNUYSCEIHY-UHFFFAOYSA-N -1 3 394.399 2.073 20 5 GEBDHM CCc1nn(C)c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000825759289 609165894 /nfs/dbraw/zinc/16/58/94/609165894.db2.gz BLZFUNUYSCEIHY-UHFFFAOYSA-N -1 3 394.399 2.073 20 5 GEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826468337 609396041 /nfs/dbraw/zinc/39/60/41/609396041.db2.gz MAKLTFCPMQDFIC-OAHLLOKOSA-N -1 3 398.310 2.013 20 5 GEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826468337 609396044 /nfs/dbraw/zinc/39/60/44/609396044.db2.gz MAKLTFCPMQDFIC-OAHLLOKOSA-N -1 3 398.310 2.013 20 5 GEBDHM COc1cc(COC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179983 609462828 /nfs/dbraw/zinc/46/28/28/609462828.db2.gz NTEUEVLLLPOGCK-LLVKDONJSA-N -1 3 399.363 2.294 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000826255113 609543325 /nfs/dbraw/zinc/54/33/25/609543325.db2.gz MCYCLTBNOHLWLD-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000826255113 609543327 /nfs/dbraw/zinc/54/33/27/609543327.db2.gz MCYCLTBNOHLWLD-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000451993117 650162871 /nfs/dbraw/zinc/16/28/71/650162871.db2.gz OYJLQJRDNLPKCY-ISVAXAHUSA-N -1 3 393.259 2.449 20 5 GEBDHM Cc1ncc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000501083613 650387716 /nfs/dbraw/zinc/38/77/16/650387716.db2.gz HYUBOZNLMOEFKP-UHFFFAOYSA-N -1 3 382.174 2.483 20 5 GEBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000503796170 650422659 /nfs/dbraw/zinc/42/26/59/650422659.db2.gz FIWFBLPQVBDMQY-UHFFFAOYSA-N -1 3 379.232 2.205 20 5 GEBDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000510533201 650513329 /nfs/dbraw/zinc/51/33/29/650513329.db2.gz JUBZHKWFCDEXHH-GMSGAONNSA-N -1 3 381.273 2.387 20 5 GEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531094878 650734495 /nfs/dbraw/zinc/73/44/95/650734495.db2.gz YTTGLBNRUPNDPJ-CYBMUJFWSA-N -1 3 384.845 2.224 20 5 GEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531094883 650734589 /nfs/dbraw/zinc/73/45/89/650734589.db2.gz YTTGLBNRUPNDPJ-ZDUSSCGKSA-N -1 3 384.845 2.224 20 5 GEBDHM CNC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000028047598 642443482 /nfs/dbraw/zinc/44/34/82/642443482.db2.gz QTRLBKKCXIRBTO-UHFFFAOYSA-N -1 3 383.813 2.086 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1 ZINC000029939831 642471762 /nfs/dbraw/zinc/47/17/62/642471762.db2.gz SJAIODKWJRINJG-NSHDSACASA-N -1 3 384.797 2.367 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cnc(C3CC3)nc2)c(Cl)c1 ZINC000535141060 650785675 /nfs/dbraw/zinc/78/56/75/650785675.db2.gz DYURMJYBELNRDH-UHFFFAOYSA-N -1 3 382.829 2.437 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc3C2)s1 ZINC000064245430 642871929 /nfs/dbraw/zinc/87/19/29/642871929.db2.gz SXKHGBHTWHRIFK-UHFFFAOYSA-N -1 3 381.479 2.383 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(F)c1 ZINC000101575964 643110383 /nfs/dbraw/zinc/11/03/83/643110383.db2.gz HUEJMBKZJXCNNT-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/34/05/88/532340588.db2.gz TVJICSMOCXFGAC-UHFFFAOYSA-N -1 3 376.312 2.499 20 5 GEBDHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000188352393 532347926 /nfs/dbraw/zinc/34/79/26/532347926.db2.gz VGVFDEZQOXTUSF-CYBMUJFWSA-N -1 3 384.841 2.439 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Br)c[nH]c1=O ZINC000189360400 532351903 /nfs/dbraw/zinc/35/19/03/532351903.db2.gz AXTHYDLSNIOVHR-UHFFFAOYSA-N -1 3 388.199 2.155 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc([S@](C)=O)cc2)c1[N+](=O)[O-] ZINC000190059560 532354694 /nfs/dbraw/zinc/35/46/94/532354694.db2.gz IMAXEOVFVVVIEA-DEOSSOPVSA-N -1 3 382.463 2.428 20 5 GEBDHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000278010722 532369284 /nfs/dbraw/zinc/36/92/84/532369284.db2.gz VURIOFKXLDBOAR-UFBFGSQYSA-N -1 3 379.232 2.061 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000464182184 532392677 /nfs/dbraw/zinc/39/26/77/532392677.db2.gz DQCQSYQZWPFQCI-UHFFFAOYSA-N -1 3 384.797 2.418 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192984931 532415553 /nfs/dbraw/zinc/41/55/53/532415553.db2.gz BIQDTJMKSYYPIC-AWEZNQCLSA-N -1 3 381.479 2.457 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1nc(C)cs1 ZINC000469310369 532500699 /nfs/dbraw/zinc/50/06/99/532500699.db2.gz VRABOOOQMVJRLW-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000469317022 532500839 /nfs/dbraw/zinc/50/08/39/532500839.db2.gz IHSAWILNBQJTGN-PWSUYJOCSA-N -1 3 388.467 2.334 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)c1 ZINC000594865267 532538278 /nfs/dbraw/zinc/53/82/78/532538278.db2.gz NPCDEPSOFSJINM-JTQLQIEISA-N -1 3 393.259 2.044 20 5 GEBDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594801264 532531816 /nfs/dbraw/zinc/53/18/16/532531816.db2.gz LZECZHUCLVHTLN-LLVKDONJSA-N -1 3 376.406 2.226 20 5 GEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000595355828 532560311 /nfs/dbraw/zinc/56/03/11/532560311.db2.gz RQRFOZFSAZZTQB-JTQLQIEISA-N -1 3 381.376 2.376 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nccn1C ZINC000595382935 532561987 /nfs/dbraw/zinc/56/19/87/532561987.db2.gz LPJVPGGXLSFSFC-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cccnc2)c(Cl)c1 ZINC000284880570 532629852 /nfs/dbraw/zinc/62/98/52/532629852.db2.gz DYXPAUFCZDPAML-DZGCQCFKSA-N -1 3 383.813 2.452 20 5 GEBDHM Cc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000437410562 532657785 /nfs/dbraw/zinc/65/77/85/532657785.db2.gz LTAXGFIUCDBTME-UHFFFAOYSA-N -1 3 384.439 2.065 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298927467 532684186 /nfs/dbraw/zinc/68/41/86/532684186.db2.gz DFTZTCBSMVLYNG-GHMZBOCLSA-N -1 3 383.451 2.201 20 5 GEBDHM Cc1nnc2n1CCC[C@H]2[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000378597656 532698417 /nfs/dbraw/zinc/69/84/17/532698417.db2.gz LBJFVBQLRAQDOE-SNVBAGLBSA-N -1 3 385.833 2.270 20 5 GEBDHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000440093215 532706717 /nfs/dbraw/zinc/70/67/17/532706717.db2.gz RTIADNDYOSEFEY-OGOUPESXSA-N -1 3 376.818 2.424 20 5 GEBDHM COc1c(S(=O)(=O)[N-]CCCF)cc(Br)c(C)c1[N+](=O)[O-] ZINC000576174412 532725918 /nfs/dbraw/zinc/72/59/18/532725918.db2.gz VJPBLDQMYWHLCE-UHFFFAOYSA-N -1 3 385.211 2.312 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c(Br)c1 ZINC000443234932 532742788 /nfs/dbraw/zinc/74/27/88/532742788.db2.gz RRUAFUIVSLKVJG-MWLCHTKSSA-N -1 3 393.259 2.187 20 5 GEBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443289923 532744257 /nfs/dbraw/zinc/74/42/57/532744257.db2.gz ALVFYKMECRYVED-ZANVPECISA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000286250995 532736358 /nfs/dbraw/zinc/73/63/58/532736358.db2.gz ZMHDVPFXAUOPPY-UHFFFAOYSA-N -1 3 393.197 2.360 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)Cc1ccc(F)cc1 ZINC000501157368 532738892 /nfs/dbraw/zinc/73/88/92/532738892.db2.gz XLWDCVNXXMZSET-CYBMUJFWSA-N -1 3 388.804 2.269 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H]1C ZINC000330432505 532818538 /nfs/dbraw/zinc/81/85/38/532818538.db2.gz KEHXKTQJHIDNLA-MNOVXSKESA-N -1 3 389.861 2.316 20 5 GEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000330637092 532823639 /nfs/dbraw/zinc/82/36/39/532823639.db2.gz NXYPXINQVIPTFA-ZJUUUORDSA-N -1 3 393.259 2.451 20 5 GEBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273601816 532827892 /nfs/dbraw/zinc/82/78/92/532827892.db2.gz RTDGTPXDZYSRMX-OLZOCXBDSA-N -1 3 388.467 2.334 20 5 GEBDHM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000332508847 532856725 /nfs/dbraw/zinc/85/67/25/532856725.db2.gz YQGINNUMCUDYJB-UKRRQHHQSA-N -1 3 392.861 2.093 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000416387249 532874421 /nfs/dbraw/zinc/87/44/21/532874421.db2.gz MENINDCGPNCENN-VIFPVBQESA-N -1 3 381.376 2.375 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000275397112 532875292 /nfs/dbraw/zinc/87/52/92/532875292.db2.gz NWEUOQMCJVRUFM-CQSZACIVSA-N -1 3 378.422 2.064 20 5 GEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000416408195 532876422 /nfs/dbraw/zinc/87/64/22/532876422.db2.gz OOSBHBWKQZCIAH-GXSJLCMTSA-N -1 3 381.376 2.375 20 5 GEBDHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416458418 532877988 /nfs/dbraw/zinc/87/79/88/532877988.db2.gz IXNGVMZBOLSCAL-NSHDSACASA-N -1 3 388.389 2.006 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2(O)CCC2)c(Br)c1 ZINC000420723823 532885788 /nfs/dbraw/zinc/88/57/88/532885788.db2.gz ZBCSHDXTZGZMAN-UHFFFAOYSA-N -1 3 393.259 2.331 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1cccc([N+](=O)[O-])c1 ZINC000737522997 598827720 /nfs/dbraw/zinc/82/77/20/598827720.db2.gz FZDHOSBNTKPFEA-UHFFFAOYSA-N -1 3 392.379 2.421 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1cccc([N+](=O)[O-])c1 ZINC000737522997 598827721 /nfs/dbraw/zinc/82/77/21/598827721.db2.gz FZDHOSBNTKPFEA-UHFFFAOYSA-N -1 3 392.379 2.421 20 5 GEBDHM Nc1nc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)ncc1[N+](=O)[O-] ZINC000737776891 598854562 /nfs/dbraw/zinc/85/45/62/598854562.db2.gz SNAFPKZCNRCDNK-UHFFFAOYSA-N -1 3 395.408 2.488 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897285 598892944 /nfs/dbraw/zinc/89/29/44/598892944.db2.gz DXHPWMIFZWMCCY-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897285 598892945 /nfs/dbraw/zinc/89/29/45/598892945.db2.gz DXHPWMIFZWMCCY-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000738294864 598916072 /nfs/dbraw/zinc/91/60/72/598916072.db2.gz FVMKNFIMRDHHDH-HNNXBMFYSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000738294864 598916074 /nfs/dbraw/zinc/91/60/74/598916074.db2.gz FVMKNFIMRDHHDH-HNNXBMFYSA-N -1 3 379.380 2.382 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000737303375 598953328 /nfs/dbraw/zinc/95/33/28/598953328.db2.gz KKEAKTPDTTYTIH-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000737303375 598953330 /nfs/dbraw/zinc/95/33/30/598953330.db2.gz KKEAKTPDTTYTIH-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM CCc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736692724 599014631 /nfs/dbraw/zinc/01/46/31/599014631.db2.gz XMOLOJSPVXHSCN-UHFFFAOYSA-N -1 3 382.380 2.033 20 5 GEBDHM CCc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736692724 599014633 /nfs/dbraw/zinc/01/46/33/599014633.db2.gz XMOLOJSPVXHSCN-UHFFFAOYSA-N -1 3 382.380 2.033 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc2cccnc21 ZINC000738357998 599157498 /nfs/dbraw/zinc/15/74/98/599157498.db2.gz JNUBNMHUNCWKFJ-UHFFFAOYSA-N -1 3 398.360 2.091 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc2cccnc21 ZINC000738357998 599157500 /nfs/dbraw/zinc/15/75/00/599157500.db2.gz JNUBNMHUNCWKFJ-UHFFFAOYSA-N -1 3 398.360 2.091 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823070827 599174671 /nfs/dbraw/zinc/17/46/71/599174671.db2.gz PZLSCFSOLFUASJ-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823070827 599174676 /nfs/dbraw/zinc/17/46/76/599174676.db2.gz PZLSCFSOLFUASJ-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823122712 599177288 /nfs/dbraw/zinc/17/72/88/599177288.db2.gz GSWJJSNXTKYRNK-UHFFFAOYSA-N -1 3 395.354 2.185 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823122712 599177291 /nfs/dbraw/zinc/17/72/91/599177291.db2.gz GSWJJSNXTKYRNK-UHFFFAOYSA-N -1 3 395.354 2.185 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823237965 599182630 /nfs/dbraw/zinc/18/26/30/599182630.db2.gz GKHUSGKRAIRJDA-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823237965 599182632 /nfs/dbraw/zinc/18/26/32/599182632.db2.gz GKHUSGKRAIRJDA-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738261184 599207108 /nfs/dbraw/zinc/20/71/08/599207108.db2.gz JVPWPCPGVKEUPK-MRXNPFEDSA-N -1 3 383.393 2.058 20 5 GEBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738261184 599207111 /nfs/dbraw/zinc/20/71/11/599207111.db2.gz JVPWPCPGVKEUPK-MRXNPFEDSA-N -1 3 383.393 2.058 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374994 598499787 /nfs/dbraw/zinc/49/97/87/598499787.db2.gz XEQCXFPAHACMDQ-AWEZNQCLSA-N -1 3 383.368 2.471 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374994 598499789 /nfs/dbraw/zinc/49/97/89/598499789.db2.gz XEQCXFPAHACMDQ-AWEZNQCLSA-N -1 3 383.368 2.471 20 5 GEBDHM Cc1ccc(NC(=O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Cl)c1 ZINC000737356909 598500816 /nfs/dbraw/zinc/50/08/16/598500816.db2.gz JQANPENCRWQTEI-UHFFFAOYSA-N -1 3 388.775 2.182 20 5 GEBDHM Cc1ccc(NC(=O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(Cl)c1 ZINC000737356909 598500817 /nfs/dbraw/zinc/50/08/17/598500817.db2.gz JQANPENCRWQTEI-UHFFFAOYSA-N -1 3 388.775 2.182 20 5 GEBDHM O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826415742 607359829 /nfs/dbraw/zinc/35/98/29/607359829.db2.gz QGJISOCZKHXQSS-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826415742 607359830 /nfs/dbraw/zinc/35/98/30/607359830.db2.gz QGJISOCZKHXQSS-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM COC(=O)c1ccc(OCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736950010 598537438 /nfs/dbraw/zinc/53/74/38/598537438.db2.gz WYWVGSJTDHPTBV-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM COC(=O)c1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736950010 598537440 /nfs/dbraw/zinc/53/74/40/598537440.db2.gz WYWVGSJTDHPTBV-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738101536 598665295 /nfs/dbraw/zinc/66/52/95/598665295.db2.gz ZIOPDSTZILZPRN-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738101536 598665297 /nfs/dbraw/zinc/66/52/97/598665297.db2.gz ZIOPDSTZILZPRN-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM Cc1nc(CN2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)oc1C ZINC000737478933 598673333 /nfs/dbraw/zinc/67/33/33/598673333.db2.gz WQGCYONFCXNAQW-UHFFFAOYSA-N -1 3 398.427 2.092 20 5 GEBDHM Cc1nc(CN2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)oc1C ZINC000737478933 598673335 /nfs/dbraw/zinc/67/33/35/598673335.db2.gz WQGCYONFCXNAQW-UHFFFAOYSA-N -1 3 398.427 2.092 20 5 GEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736300636 598735683 /nfs/dbraw/zinc/73/56/83/598735683.db2.gz ZQAKDIUCHKFBBR-LLVKDONJSA-N -1 3 380.364 2.132 20 5 GEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736300636 598735684 /nfs/dbraw/zinc/73/56/84/598735684.db2.gz ZQAKDIUCHKFBBR-LLVKDONJSA-N -1 3 380.364 2.132 20 5 GEBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737983550 598758126 /nfs/dbraw/zinc/75/81/26/598758126.db2.gz XPGRIVCPGLWJGC-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737983550 598758128 /nfs/dbraw/zinc/75/81/28/598758128.db2.gz XPGRIVCPGLWJGC-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735590295 598794837 /nfs/dbraw/zinc/79/48/37/598794837.db2.gz XKUOIRPSBIYSOX-LBPRGKRZSA-N -1 3 387.444 2.154 20 5 GEBDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735590295 598794838 /nfs/dbraw/zinc/79/48/38/598794838.db2.gz XKUOIRPSBIYSOX-LBPRGKRZSA-N -1 3 387.444 2.154 20 5 GEBDHM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735590293 598795182 /nfs/dbraw/zinc/79/51/82/598795182.db2.gz XKUOIRPSBIYSOX-GFCCVEGCSA-N -1 3 387.444 2.154 20 5 GEBDHM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735590293 598795183 /nfs/dbraw/zinc/79/51/83/598795183.db2.gz XKUOIRPSBIYSOX-GFCCVEGCSA-N -1 3 387.444 2.154 20 5 GEBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415588 607367408 /nfs/dbraw/zinc/36/74/08/607367408.db2.gz KYFBXFOYNOWTQA-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM NC(=O)c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000737759938 598814789 /nfs/dbraw/zinc/81/47/89/598814789.db2.gz LDAOIGJVZKXOCK-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM NC(=O)c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000737759938 598814790 /nfs/dbraw/zinc/81/47/90/598814790.db2.gz LDAOIGJVZKXOCK-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415588 607367410 /nfs/dbraw/zinc/36/74/10/607367410.db2.gz KYFBXFOYNOWTQA-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(OC(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000823652162 599312617 /nfs/dbraw/zinc/31/26/17/599312617.db2.gz WDQDNARBOXLZNQ-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(OC(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000823652162 599312620 /nfs/dbraw/zinc/31/26/20/599312620.db2.gz WDQDNARBOXLZNQ-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826415778 607371206 /nfs/dbraw/zinc/37/12/06/607371206.db2.gz RXZUFWAIGSAJOL-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826415778 607371209 /nfs/dbraw/zinc/37/12/09/607371209.db2.gz RXZUFWAIGSAJOL-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737924224 599375541 /nfs/dbraw/zinc/37/55/41/599375541.db2.gz DDFZSTXXZIWVLL-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737924224 599375544 /nfs/dbraw/zinc/37/55/44/599375544.db2.gz DDFZSTXXZIWVLL-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM COC(=O)c1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)c([N+](=O)[O-])c1 ZINC000821669360 607377186 /nfs/dbraw/zinc/37/71/86/607377186.db2.gz ICWNASWTINWXMO-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COC(=O)c1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c([N+](=O)[O-])c1 ZINC000821669360 607377188 /nfs/dbraw/zinc/37/71/88/607377188.db2.gz ICWNASWTINWXMO-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826268463 607378036 /nfs/dbraw/zinc/37/80/36/607378036.db2.gz YFGUZYYXFXHPQP-UHFFFAOYSA-N -1 3 385.311 2.262 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826268463 607378038 /nfs/dbraw/zinc/37/80/38/607378038.db2.gz YFGUZYYXFXHPQP-UHFFFAOYSA-N -1 3 385.311 2.262 20 5 GEBDHM C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366503 599479119 /nfs/dbraw/zinc/47/91/19/599479119.db2.gz OQHYOXJPISYPGJ-GFCCVEGCSA-N -1 3 396.411 2.247 20 5 GEBDHM C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366503 599479121 /nfs/dbraw/zinc/47/91/21/599479121.db2.gz OQHYOXJPISYPGJ-GFCCVEGCSA-N -1 3 396.411 2.247 20 5 GEBDHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000821703023 599499945 /nfs/dbraw/zinc/49/99/45/599499945.db2.gz LFIUPMVNTIRQNJ-JTQLQIEISA-N -1 3 398.379 2.283 20 5 GEBDHM COc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000821703023 599499948 /nfs/dbraw/zinc/49/99/48/599499948.db2.gz LFIUPMVNTIRQNJ-JTQLQIEISA-N -1 3 398.379 2.283 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(n4cccn4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644693 599501418 /nfs/dbraw/zinc/50/14/18/599501418.db2.gz KPBFPGNWUJQGPX-UHFFFAOYSA-N -1 3 391.395 2.361 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(n4cccn4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644693 599501419 /nfs/dbraw/zinc/50/14/19/599501419.db2.gz KPBFPGNWUJQGPX-UHFFFAOYSA-N -1 3 391.395 2.361 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390137 599531600 /nfs/dbraw/zinc/53/16/00/599531600.db2.gz FTQFRRDMWBBVAC-JTQLQIEISA-N -1 3 396.363 2.037 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390137 599531603 /nfs/dbraw/zinc/53/16/03/599531603.db2.gz FTQFRRDMWBBVAC-JTQLQIEISA-N -1 3 396.363 2.037 20 5 GEBDHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822020749 599532525 /nfs/dbraw/zinc/53/25/25/599532525.db2.gz IEGJARCAPIOBHH-JTQLQIEISA-N -1 3 397.351 2.483 20 5 GEBDHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822020749 599532527 /nfs/dbraw/zinc/53/25/27/599532527.db2.gz IEGJARCAPIOBHH-JTQLQIEISA-N -1 3 397.351 2.483 20 5 GEBDHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000738269642 599534697 /nfs/dbraw/zinc/53/46/97/599534697.db2.gz WGFWSFHIPHQVHN-GFCCVEGCSA-N -1 3 397.370 2.408 20 5 GEBDHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000738269642 599534699 /nfs/dbraw/zinc/53/46/99/599534699.db2.gz WGFWSFHIPHQVHN-GFCCVEGCSA-N -1 3 397.370 2.408 20 5 GEBDHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000821618223 599559153 /nfs/dbraw/zinc/55/91/53/599559153.db2.gz WHZXBYXDPACUQD-UHFFFAOYSA-N -1 3 392.379 2.457 20 5 GEBDHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000821618223 599559156 /nfs/dbraw/zinc/55/91/56/599559156.db2.gz WHZXBYXDPACUQD-UHFFFAOYSA-N -1 3 392.379 2.457 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCOC[C@@H]3CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643867 599570448 /nfs/dbraw/zinc/57/04/48/599570448.db2.gz DFKREKPXXLZIPY-LBPRGKRZSA-N -1 3 399.411 2.178 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCOC[C@@H]3CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643867 599570451 /nfs/dbraw/zinc/57/04/51/599570451.db2.gz DFKREKPXXLZIPY-LBPRGKRZSA-N -1 3 399.411 2.178 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826293156 607387244 /nfs/dbraw/zinc/38/72/44/607387244.db2.gz CSJYPBOTQOCHLY-UHFFFAOYSA-N -1 3 396.363 2.187 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826293156 607387246 /nfs/dbraw/zinc/38/72/46/607387246.db2.gz CSJYPBOTQOCHLY-UHFFFAOYSA-N -1 3 396.363 2.187 20 5 GEBDHM CC(C)Oc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820169666 607440993 /nfs/dbraw/zinc/44/09/93/607440993.db2.gz MVKGOFCUYSDNDC-UHFFFAOYSA-N -1 3 383.368 2.397 20 5 GEBDHM CC(C)Oc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820169666 607440994 /nfs/dbraw/zinc/44/09/94/607440994.db2.gz MVKGOFCUYSDNDC-UHFFFAOYSA-N -1 3 383.368 2.397 20 5 GEBDHM Cc1cccc(C(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)c1[N+](=O)[O-] ZINC000826295880 607466239 /nfs/dbraw/zinc/46/62/39/607466239.db2.gz BRKHVCYAGOQSAX-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM Cc1cccc(C(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)c1[N+](=O)[O-] ZINC000826295880 607466241 /nfs/dbraw/zinc/46/62/41/607466241.db2.gz BRKHVCYAGOQSAX-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM Cc1noc(C)c1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826338789 607525358 /nfs/dbraw/zinc/52/53/58/607525358.db2.gz IIYREMQJLSLKDU-UHFFFAOYSA-N -1 3 377.748 2.214 20 5 GEBDHM Cc1noc(C)c1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826338789 607525359 /nfs/dbraw/zinc/52/53/59/607525359.db2.gz IIYREMQJLSLKDU-UHFFFAOYSA-N -1 3 377.748 2.214 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826499661 607572972 /nfs/dbraw/zinc/57/29/72/607572972.db2.gz RPFKZDQTJLXKRQ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c(F)c1 ZINC000826499643 607589133 /nfs/dbraw/zinc/58/91/33/607589133.db2.gz QTNXINAQEVNPBQ-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000826499802 607600123 /nfs/dbraw/zinc/60/01/23/607600123.db2.gz YBVXHJRLHRPMMS-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826246121 607648073 /nfs/dbraw/zinc/64/80/73/607648073.db2.gz SEONDRLZAUSGPL-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826246121 607648077 /nfs/dbraw/zinc/64/80/77/607648077.db2.gz SEONDRLZAUSGPL-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM CC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825147939 607663674 /nfs/dbraw/zinc/66/36/74/607663674.db2.gz MULCNHSZEQHACF-CQSZACIVSA-N -1 3 388.409 2.205 20 5 GEBDHM CC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000825147939 607663676 /nfs/dbraw/zinc/66/36/76/607663676.db2.gz MULCNHSZEQHACF-CQSZACIVSA-N -1 3 388.409 2.205 20 5 GEBDHM CC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825147938 607663792 /nfs/dbraw/zinc/66/37/92/607663792.db2.gz MULCNHSZEQHACF-AWEZNQCLSA-N -1 3 388.409 2.205 20 5 GEBDHM CC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000825147938 607663794 /nfs/dbraw/zinc/66/37/94/607663794.db2.gz MULCNHSZEQHACF-AWEZNQCLSA-N -1 3 388.409 2.205 20 5 GEBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000833417488 604935311 /nfs/dbraw/zinc/93/53/11/604935311.db2.gz RMXGAJDYRNBLOJ-CQSZACIVSA-N -1 3 375.425 2.307 20 5 GEBDHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833622317 605021985 /nfs/dbraw/zinc/02/19/85/605021985.db2.gz HCXCOXVJOQRROB-NHYWBVRUSA-N -1 3 393.465 2.374 20 5 GEBDHM O=C([O-])N1CCC[C@H]1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000834107316 605351092 /nfs/dbraw/zinc/35/10/92/605351092.db2.gz MIJMOTMJUPJLNW-HOTGVXAUSA-N -1 3 393.440 2.189 20 5 GEBDHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000834183654 605440035 /nfs/dbraw/zinc/44/00/35/605440035.db2.gz PRAVVBLVSWFSGZ-KNXALSJPSA-N -1 3 377.397 2.329 20 5 GEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821694974 606137354 /nfs/dbraw/zinc/13/73/54/606137354.db2.gz CPFLNCJISYDKRK-UHFFFAOYSA-N -1 3 395.423 2.248 20 5 GEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821694974 606137355 /nfs/dbraw/zinc/13/73/55/606137355.db2.gz CPFLNCJISYDKRK-UHFFFAOYSA-N -1 3 395.423 2.248 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822270971 606242075 /nfs/dbraw/zinc/24/20/75/606242075.db2.gz GOFLDVBPNKUVIE-GFCCVEGCSA-N -1 3 385.409 2.362 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822270971 606242076 /nfs/dbraw/zinc/24/20/76/606242076.db2.gz GOFLDVBPNKUVIE-GFCCVEGCSA-N -1 3 385.409 2.362 20 5 GEBDHM Cc1c(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cccc1[N+](=O)[O-] ZINC000822116052 606243077 /nfs/dbraw/zinc/24/30/77/606243077.db2.gz LOVSRRUKJWTZJG-GFCCVEGCSA-N -1 3 385.409 2.362 20 5 GEBDHM Cc1c(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cccc1[N+](=O)[O-] ZINC000822116052 606243079 /nfs/dbraw/zinc/24/30/79/606243079.db2.gz LOVSRRUKJWTZJG-GFCCVEGCSA-N -1 3 385.409 2.362 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648690 606366048 /nfs/dbraw/zinc/36/60/48/606366048.db2.gz PZEMXGRZKCMELP-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648690 606366051 /nfs/dbraw/zinc/36/60/51/606366051.db2.gz PZEMXGRZKCMELP-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823014508 606372269 /nfs/dbraw/zinc/37/22/69/606372269.db2.gz OCBUDWWULARDOF-UHFFFAOYSA-N -1 3 395.335 2.071 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821571685 606479418 /nfs/dbraw/zinc/47/94/18/606479418.db2.gz AJTIOBNFYOCMBU-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821571685 606479420 /nfs/dbraw/zinc/47/94/20/606479420.db2.gz AJTIOBNFYOCMBU-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM COc1cccc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000821869011 606633462 /nfs/dbraw/zinc/63/34/62/606633462.db2.gz YFYVVVOWMOSGKZ-UHFFFAOYSA-N -1 3 392.379 2.381 20 5 GEBDHM COc1cccc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000821869011 606633463 /nfs/dbraw/zinc/63/34/63/606633463.db2.gz YFYVVVOWMOSGKZ-UHFFFAOYSA-N -1 3 392.379 2.381 20 5 GEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000820456947 606644641 /nfs/dbraw/zinc/64/46/41/606644641.db2.gz XQSNPWSAZDMXPJ-JTQLQIEISA-N -1 3 388.409 2.352 20 5 GEBDHM COc1ccc(OC(F)F)c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821839657 606799245 /nfs/dbraw/zinc/79/92/45/606799245.db2.gz WTEGEBDEJSTDJM-UHFFFAOYSA-N -1 3 393.310 2.392 20 5 GEBDHM COc1ccc(OC(F)F)c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821839657 606799247 /nfs/dbraw/zinc/79/92/47/606799247.db2.gz WTEGEBDEJSTDJM-UHFFFAOYSA-N -1 3 393.310 2.392 20 5 GEBDHM Cc1nc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449993 606812850 /nfs/dbraw/zinc/81/28/50/606812850.db2.gz YAQABWYJPPJGKV-OAHLLOKOSA-N -1 3 394.395 2.086 20 5 GEBDHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616997 606880310 /nfs/dbraw/zinc/88/03/10/606880310.db2.gz RGCQQSDWNVESSS-UHFFFAOYSA-N -1 3 377.368 2.196 20 5 GEBDHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821616997 606880312 /nfs/dbraw/zinc/88/03/12/606880312.db2.gz RGCQQSDWNVESSS-UHFFFAOYSA-N -1 3 377.368 2.196 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822472368 606945390 /nfs/dbraw/zinc/94/53/90/606945390.db2.gz QLOXTRYGGJVNKB-UHFFFAOYSA-N -1 3 384.352 2.104 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822472368 606945391 /nfs/dbraw/zinc/94/53/91/606945391.db2.gz QLOXTRYGGJVNKB-UHFFFAOYSA-N -1 3 384.352 2.104 20 5 GEBDHM CCOC(=O)c1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000821337555 606972322 /nfs/dbraw/zinc/97/23/22/606972322.db2.gz KDBZMTKHAUIANG-UHFFFAOYSA-N -1 3 396.363 2.228 20 5 GEBDHM CCOC(=O)c1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000821337555 606972323 /nfs/dbraw/zinc/97/23/23/606972323.db2.gz KDBZMTKHAUIANG-UHFFFAOYSA-N -1 3 396.363 2.228 20 5 GEBDHM COc1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCO2)c1 ZINC000821862405 607039882 /nfs/dbraw/zinc/03/98/82/607039882.db2.gz ATBSZFZDSDOZFX-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCO2)c1 ZINC000821862405 607039884 /nfs/dbraw/zinc/03/98/84/607039884.db2.gz ATBSZFZDSDOZFX-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(-c2nnn[n-]2)ccc1C ZINC000821486589 607050381 /nfs/dbraw/zinc/05/03/81/607050381.db2.gz HUPGKOSFJHZFBI-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(-c2nn[n-]n2)ccc1C ZINC000821486589 607050382 /nfs/dbraw/zinc/05/03/82/607050382.db2.gz HUPGKOSFJHZFBI-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823040494 607081684 /nfs/dbraw/zinc/08/16/84/607081684.db2.gz LVMLIXOKRIDOGI-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823040494 607081686 /nfs/dbraw/zinc/08/16/86/607081686.db2.gz LVMLIXOKRIDOGI-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823032514 607158807 /nfs/dbraw/zinc/15/88/07/607158807.db2.gz XSZMSBLOVDCCPE-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823032514 607158808 /nfs/dbraw/zinc/15/88/08/607158808.db2.gz XSZMSBLOVDCCPE-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380475 607798300 /nfs/dbraw/zinc/79/83/00/607798300.db2.gz OVVYXROLVOYVSX-UHFFFAOYSA-N -1 3 382.336 2.170 20 5 GEBDHM CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380475 607798301 /nfs/dbraw/zinc/79/83/01/607798301.db2.gz OVVYXROLVOYVSX-UHFFFAOYSA-N -1 3 382.336 2.170 20 5 GEBDHM CCc1cccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000825722029 607869866 /nfs/dbraw/zinc/86/98/66/607869866.db2.gz CNGOOWBOILLOAM-AWEZNQCLSA-N -1 3 385.380 2.156 20 5 GEBDHM CCc1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000825722029 607869867 /nfs/dbraw/zinc/86/98/67/607869867.db2.gz CNGOOWBOILLOAM-AWEZNQCLSA-N -1 3 385.380 2.156 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826272533 607873285 /nfs/dbraw/zinc/87/32/85/607873285.db2.gz OPRFFVPYSBIUND-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824045222 607942662 /nfs/dbraw/zinc/94/26/62/607942662.db2.gz JKMXITCHAWFUPP-LBPRGKRZSA-N -1 3 393.407 2.160 20 5 GEBDHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824045222 607942663 /nfs/dbraw/zinc/94/26/63/607942663.db2.gz JKMXITCHAWFUPP-LBPRGKRZSA-N -1 3 393.407 2.160 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826421174 607954342 /nfs/dbraw/zinc/95/43/42/607954342.db2.gz VEOXPXVBHKAQBX-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826421174 607954343 /nfs/dbraw/zinc/95/43/43/607954343.db2.gz VEOXPXVBHKAQBX-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000824739709 608002039 /nfs/dbraw/zinc/00/20/39/608002039.db2.gz ZRDWHOZGLGJWDX-SECBINFHSA-N -1 3 394.351 2.057 20 5 GEBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826467958 608029406 /nfs/dbraw/zinc/02/94/06/608029406.db2.gz SRJDJWSYFCJMIQ-UHFFFAOYSA-N -1 3 381.308 2.115 20 5 GEBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826467958 608029407 /nfs/dbraw/zinc/02/94/07/608029407.db2.gz SRJDJWSYFCJMIQ-UHFFFAOYSA-N -1 3 381.308 2.115 20 5 GEBDHM COc1ccc(C[C@@H](C)CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826191360 608052000 /nfs/dbraw/zinc/05/20/00/608052000.db2.gz DORLJOBJCFJVEG-GFCCVEGCSA-N -1 3 383.412 2.494 20 5 GEBDHM COc1ccc(C[C@@H](C)CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826191360 608052001 /nfs/dbraw/zinc/05/20/01/608052001.db2.gz DORLJOBJCFJVEG-GFCCVEGCSA-N -1 3 383.412 2.494 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000826498968 608052725 /nfs/dbraw/zinc/05/27/25/608052725.db2.gz QCZJGLTVJRBEJB-INIZCTEOSA-N -1 3 397.351 2.261 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000826498968 608052726 /nfs/dbraw/zinc/05/27/26/608052726.db2.gz QCZJGLTVJRBEJB-INIZCTEOSA-N -1 3 397.351 2.261 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826500581 608052852 /nfs/dbraw/zinc/05/28/52/608052852.db2.gz CSXHGOHBLCWJCI-CQSZACIVSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826500581 608052853 /nfs/dbraw/zinc/05/28/53/608052853.db2.gz CSXHGOHBLCWJCI-CQSZACIVSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000826498969 608052904 /nfs/dbraw/zinc/05/29/04/608052904.db2.gz QCZJGLTVJRBEJB-MRXNPFEDSA-N -1 3 397.351 2.261 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000826498969 608052905 /nfs/dbraw/zinc/05/29/05/608052905.db2.gz QCZJGLTVJRBEJB-MRXNPFEDSA-N -1 3 397.351 2.261 20 5 GEBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000826477397 608053509 /nfs/dbraw/zinc/05/35/09/608053509.db2.gz BWENDQJXEMNBSU-INIZCTEOSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000826477397 608053510 /nfs/dbraw/zinc/05/35/10/608053510.db2.gz BWENDQJXEMNBSU-INIZCTEOSA-N -1 3 393.407 2.378 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc([N+](=O)[O-])c1 ZINC000826258637 608080075 /nfs/dbraw/zinc/08/00/75/608080075.db2.gz QNXTYOHGPCUJDZ-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc([N+](=O)[O-])c1 ZINC000826258637 608080076 /nfs/dbraw/zinc/08/00/76/608080076.db2.gz QNXTYOHGPCUJDZ-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826472953 608085711 /nfs/dbraw/zinc/08/57/11/608085711.db2.gz DLVUALJTLMXTAO-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826472953 608085712 /nfs/dbraw/zinc/08/57/12/608085712.db2.gz DLVUALJTLMXTAO-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000826501064 608099203 /nfs/dbraw/zinc/09/92/03/608099203.db2.gz YAICMSSUGKQTQY-LLVKDONJSA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000826501064 608099204 /nfs/dbraw/zinc/09/92/04/608099204.db2.gz YAICMSSUGKQTQY-LLVKDONJSA-N -1 3 384.375 2.390 20 5 GEBDHM C[C@H](Oc1cccnc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824757658 608161408 /nfs/dbraw/zinc/16/14/08/608161408.db2.gz ZPCDQCJGNHAQMK-QMMMGPOBSA-N -1 3 389.759 2.229 20 5 GEBDHM C[C@H](Oc1cccnc1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824757658 608161410 /nfs/dbraw/zinc/16/14/10/608161410.db2.gz ZPCDQCJGNHAQMK-QMMMGPOBSA-N -1 3 389.759 2.229 20 5 GEBDHM COc1ncccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826221935 608163789 /nfs/dbraw/zinc/16/37/89/608163789.db2.gz BEHMZFBKKIVJHT-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM COc1ncccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826221935 608163790 /nfs/dbraw/zinc/16/37/90/608163790.db2.gz BEHMZFBKKIVJHT-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826272552 608340626 /nfs/dbraw/zinc/34/06/26/608340626.db2.gz PNBAKEFPVSMICP-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826272552 608340628 /nfs/dbraw/zinc/34/06/28/608340628.db2.gz PNBAKEFPVSMICP-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM C[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824529284 608391667 /nfs/dbraw/zinc/39/16/67/608391667.db2.gz FYMXICMEYBCXHC-NEPJUHHUSA-N -1 3 381.396 2.453 20 5 GEBDHM Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826296066 609283119 /nfs/dbraw/zinc/28/31/19/609283119.db2.gz IGXMYYIALUJOGS-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826296066 609283120 /nfs/dbraw/zinc/28/31/20/609283120.db2.gz IGXMYYIALUJOGS-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824513264 609385876 /nfs/dbraw/zinc/38/58/76/609385876.db2.gz AMAGLMQAFGIUDJ-MRVPVSSYSA-N -1 3 396.392 2.271 20 5 GEBDHM C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824513264 609385878 /nfs/dbraw/zinc/38/58/78/609385878.db2.gz AMAGLMQAFGIUDJ-MRVPVSSYSA-N -1 3 396.392 2.271 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000826161323 609496820 /nfs/dbraw/zinc/49/68/20/609496820.db2.gz CDSCCVWQRWJUOA-UHFFFAOYSA-N -1 3 399.367 2.444 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000826161323 609496821 /nfs/dbraw/zinc/49/68/21/609496821.db2.gz CDSCCVWQRWJUOA-UHFFFAOYSA-N -1 3 399.367 2.444 20 5 GEBDHM CCCCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028776 649995153 /nfs/dbraw/zinc/99/51/53/649995153.db2.gz PLPGZYBNUYJWNL-UHFFFAOYSA-N -1 3 381.248 2.452 20 5 GEBDHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000451993116 650162916 /nfs/dbraw/zinc/16/29/16/650162916.db2.gz OYJLQJRDNLPKCY-AMIZOPFISA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c(Cl)c1 ZINC000532769269 650753023 /nfs/dbraw/zinc/75/30/23/650753023.db2.gz GXRJJDSPLARAPB-UHFFFAOYSA-N -1 3 382.825 2.056 20 5 GEBDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244672 642871362 /nfs/dbraw/zinc/87/13/62/642871362.db2.gz AVRZMBNGSHKJRR-CQSZACIVSA-N -1 3 378.435 2.458 20 5 GEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OC)c1OC ZINC000066000950 642894641 /nfs/dbraw/zinc/89/46/41/642894641.db2.gz RGMRRIXRCTZWHC-UHFFFAOYSA-N -1 3 388.423 2.161 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105618675 643212023 /nfs/dbraw/zinc/21/20/23/643212023.db2.gz QVJBVMVRWRZRLT-UHFFFAOYSA-N -1 3 376.312 2.499 20 5 GEBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119133108 643538447 /nfs/dbraw/zinc/53/84/47/643538447.db2.gz OUYRFAUDVIAVTO-GFCCVEGCSA-N -1 3 395.275 2.433 20 5 GEBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000120747302 643623793 /nfs/dbraw/zinc/62/37/93/643623793.db2.gz TVFMULMLSISIEP-IUCAKERBSA-N -1 3 381.248 2.043 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2F)c(F)c1 ZINC000121038349 643628220 /nfs/dbraw/zinc/62/82/20/643628220.db2.gz IBJJPNUPJOGHNT-GFCCVEGCSA-N -1 3 376.312 2.024 20 5 GEBDHM Cn1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nnc1C1CCC1 ZINC000125806290 643711746 /nfs/dbraw/zinc/71/17/46/643711746.db2.gz JMFJIKVEJGNRLG-UHFFFAOYSA-N -1 3 385.833 2.123 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2ccccn2)c1 ZINC000150114485 643926266 /nfs/dbraw/zinc/92/62/66/643926266.db2.gz BXGSTPZGIRRCHC-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269471623 646037764 /nfs/dbraw/zinc/03/77/64/646037764.db2.gz LJAQALTUAFTXAH-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269487718 646039872 /nfs/dbraw/zinc/03/98/72/646039872.db2.gz REWGHQPKSUEMNI-UHFFFAOYSA-N -1 3 390.215 2.441 20 5 GEBDHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289306926 646930712 /nfs/dbraw/zinc/93/07/12/646930712.db2.gz JGMMTMWTKZGFRP-QMMMGPOBSA-N -1 3 379.225 2.465 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000416471480 648137082 /nfs/dbraw/zinc/13/70/82/648137082.db2.gz KNRWJGVAWKQZNJ-CKYFFXLPSA-N -1 3 380.344 2.459 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000416661038 648205081 /nfs/dbraw/zinc/20/50/81/648205081.db2.gz QFFQSUDHKHSLQG-ZJUUUORDSA-N -1 3 382.360 2.443 20 5 GEBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443319322 648872703 /nfs/dbraw/zinc/87/27/03/648872703.db2.gz KAQYYXHNKSODCF-UWVGGRQHSA-N -1 3 395.275 2.433 20 5 GEBDHM CC(C)(C)OC(=O)NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000728932773 651555534 /nfs/dbraw/zinc/55/55/34/651555534.db2.gz IUYLDQYPGWPAAY-UHFFFAOYSA-N -1 3 393.849 2.441 20 5 GEBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733321300 651701644 /nfs/dbraw/zinc/70/16/44/651701644.db2.gz CRPUKGAOIBCGRP-JTQLQIEISA-N -1 3 376.740 2.412 20 5 GEBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@]12CCCO2 ZINC000612684945 651765200 /nfs/dbraw/zinc/76/52/00/651765200.db2.gz WOBUGUCRWUIHKY-ZNMIVQPWSA-N -1 3 390.845 2.253 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c(Br)c1 ZINC000615187123 651854826 /nfs/dbraw/zinc/85/48/26/651854826.db2.gz BSKHFIKXHWSYKZ-YUSALJHKSA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC000742295918 651975656 /nfs/dbraw/zinc/97/56/56/651975656.db2.gz AJMVJWAIQYCBRT-LBPRGKRZSA-N -1 3 379.232 2.062 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000746400516 652104180 /nfs/dbraw/zinc/10/41/80/652104180.db2.gz PYBWJUUBADMDBY-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000746400516 652104210 /nfs/dbraw/zinc/10/42/10/652104210.db2.gz PYBWJUUBADMDBY-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)nc1 ZINC000593524889 652623875 /nfs/dbraw/zinc/62/38/75/652623875.db2.gz DNMZPNODVTVTFK-CYBMUJFWSA-N -1 3 382.467 2.167 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599484031 652875771 /nfs/dbraw/zinc/87/57/71/652875771.db2.gz WTBYFIRQBWZREA-SKDRFNHKSA-N -1 3 380.344 2.459 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC23OCCO3)c(Cl)c1 ZINC000766841578 652899735 /nfs/dbraw/zinc/89/97/35/652899735.db2.gz UYZREYAJBXKWNQ-CYBMUJFWSA-N -1 3 376.818 2.212 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN3CCCC[C@H]23)cc1Cl ZINC000809808691 653297153 /nfs/dbraw/zinc/29/71/53/653297153.db2.gz DQAPEXVLSDZKBH-VXGBXAGGSA-N -1 3 377.825 2.292 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859341946 653443821 /nfs/dbraw/zinc/44/38/21/653443821.db2.gz UUFGBLZSOZEZAR-LOKDSWTASA-N -1 3 393.259 2.448 20 5 GEBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000784935059 653701805 /nfs/dbraw/zinc/70/18/05/653701805.db2.gz HCYBMZDEXOYDFY-CYBMUJFWSA-N -1 3 390.483 2.194 20 5 GEBDHM CCCCOC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841491162 653720554 /nfs/dbraw/zinc/72/05/54/653720554.db2.gz ZVNSHAPJJPSBED-UHFFFAOYSA-N -1 3 384.332 2.235 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)cc1Br ZINC000788918832 653766325 /nfs/dbraw/zinc/76/63/25/653766325.db2.gz YVPIXOLMZGDSMG-UHFFFAOYSA-N -1 3 393.137 2.172 20 5 GEBDHM COc1ccc([C@@H](CN(C)C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000790479000 653792850 /nfs/dbraw/zinc/79/28/50/653792850.db2.gz FOECMZACZTVUOA-CQSZACIVSA-N -1 3 385.467 2.246 20 5 GEBDHM C[C@@]1(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(F)Cl ZINC000845984677 653876683 /nfs/dbraw/zinc/87/66/83/653876683.db2.gz XWOKEKFWPYPNHV-KGLIPLIRSA-N -1 3 394.808 2.349 20 5 GEBDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796107647 653986695 /nfs/dbraw/zinc/98/66/95/653986695.db2.gz MQFDLHOUWAWYLK-XCBNKYQSSA-N -1 3 381.273 2.387 20 5 GEBDHM O=[N+]([O-])c1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799327512 654092527 /nfs/dbraw/zinc/09/25/27/654092527.db2.gz WHDFLDLPWQQHKL-UHFFFAOYSA-N -1 3 375.328 2.403 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c1 ZINC000832579841 654277845 /nfs/dbraw/zinc/27/78/45/654277845.db2.gz LNKIMWGYDNJTKO-SNVBAGLBSA-N -1 3 393.259 2.452 20 5 GEBDHM O=C(C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000152086588 531530150 /nfs/dbraw/zinc/53/01/50/531530150.db2.gz KWBRJJZSKZTXOA-UHFFFAOYSA-N -1 3 383.813 2.306 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(N2CCSCC2)CCCC1 ZINC000030431813 531636726 /nfs/dbraw/zinc/63/67/26/531636726.db2.gz KGZPLBJPRBEIIB-UHFFFAOYSA-N -1 3 385.511 2.235 20 5 GEBDHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000162936734 531852704 /nfs/dbraw/zinc/85/27/04/531852704.db2.gz FFEBTMKJWDOPPE-SNVBAGLBSA-N -1 3 381.376 2.376 20 5 GEBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349609 531857323 /nfs/dbraw/zinc/85/73/23/531857323.db2.gz JRQAGBRDJHXAGM-SNVBAGLBSA-N -1 3 381.376 2.234 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c1 ZINC000121358551 532024768 /nfs/dbraw/zinc/02/47/68/532024768.db2.gz SGCHLUMWIMWKFM-RNCFNFMXSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000121362888 532025571 /nfs/dbraw/zinc/02/55/71/532025571.db2.gz JAVTYUZRHPDZOV-SKDRFNHKSA-N -1 3 382.360 2.443 20 5 GEBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121462202 532030063 /nfs/dbraw/zinc/03/00/63/532030063.db2.gz ZFIBUZCZGJZPGI-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000124067533 532113654 /nfs/dbraw/zinc/11/36/54/532113654.db2.gz DTCXTASSVJUPSA-NEPJUHHUSA-N -1 3 389.499 2.326 20 5 GEBDHM C[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000129157607 532173929 /nfs/dbraw/zinc/17/39/29/532173929.db2.gz BBTCEVZDTGYDKF-ZJUUUORDSA-N -1 3 375.472 2.261 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)c1 ZINC000183666878 532327596 /nfs/dbraw/zinc/32/75/96/532327596.db2.gz IADBXAQBHRSDMB-QFIPXVFZSA-N -1 3 382.891 2.382 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000188919640 532350210 /nfs/dbraw/zinc/35/02/10/532350210.db2.gz JMTKVSDSJAAPMD-CABZTGNLSA-N -1 3 382.360 2.443 20 5 GEBDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000425197970 532372255 /nfs/dbraw/zinc/37/22/55/532372255.db2.gz COVFZNFMWGHVJJ-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000557864033 532377181 /nfs/dbraw/zinc/37/71/81/532377181.db2.gz IXSCGLIQGPETMI-UHFFFAOYSA-N -1 3 382.316 2.001 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000589922789 532364115 /nfs/dbraw/zinc/36/41/15/532364115.db2.gz OHTCMJCOMAYTTR-GWCFXTLKSA-N -1 3 382.360 2.336 20 5 GEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464213480 532393080 /nfs/dbraw/zinc/39/30/80/532393080.db2.gz GZGFXKIDRRQGSU-MRVPVSSYSA-N -1 3 379.423 2.342 20 5 GEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000591328029 532407221 /nfs/dbraw/zinc/40/72/21/532407221.db2.gz SYFDYYDFOXEPFF-UHFFFAOYSA-N -1 3 384.332 2.391 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000467409894 532446325 /nfs/dbraw/zinc/44/63/25/532446325.db2.gz BJKDEZZVIUPQPD-UHFFFAOYSA-N -1 3 379.423 2.024 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594480539 532511159 /nfs/dbraw/zinc/51/11/59/532511159.db2.gz UFPLIYKPQSVFHJ-MGCOHNPYSA-N -1 3 376.406 2.367 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H]2CCc3ccccc3NC2=O)s1 ZINC000594590909 532515230 /nfs/dbraw/zinc/51/52/30/532515230.db2.gz OCLVPWLXALFPCB-LLVKDONJSA-N -1 3 381.435 2.425 20 5 GEBDHM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000594859873 532537051 /nfs/dbraw/zinc/53/70/51/532537051.db2.gz GZILVLSCZVAVFW-JTQLQIEISA-N -1 3 376.818 2.116 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H](CO)CC1CC1 ZINC000594866128 532538083 /nfs/dbraw/zinc/53/80/83/532538083.db2.gz OBDGUBHLUDVNEB-SNVBAGLBSA-N -1 3 382.360 2.301 20 5 GEBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000248886718 532557584 /nfs/dbraw/zinc/55/75/84/532557584.db2.gz SEKQRQMTLVDORG-TZMCWYRMSA-N -1 3 381.479 2.455 20 5 GEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595353613 532559562 /nfs/dbraw/zinc/55/95/62/532559562.db2.gz IQDLMNYKYAKDQL-LLVKDONJSA-N -1 3 381.376 2.376 20 5 GEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595354860 532559660 /nfs/dbraw/zinc/55/96/60/532559660.db2.gz NHEAFWZXKNEAKR-LLVKDONJSA-N -1 3 392.275 2.120 20 5 GEBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000595355830 532559964 /nfs/dbraw/zinc/55/99/64/532559964.db2.gz RQRFOZFSAZZTQB-SNVBAGLBSA-N -1 3 381.376 2.376 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c([N+](=O)[O-])c1 ZINC000472337929 532572236 /nfs/dbraw/zinc/57/22/36/532572236.db2.gz QJVBJNXGYGANIZ-UHFFFAOYSA-N -1 3 387.801 2.009 20 5 GEBDHM COCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000284036872 532573655 /nfs/dbraw/zinc/57/36/55/532573655.db2.gz RLUSKTBPEHAFMZ-UHFFFAOYSA-N -1 3 379.232 2.205 20 5 GEBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000437694185 532663011 /nfs/dbraw/zinc/66/30/11/532663011.db2.gz AJTWLBQTNUWGGA-JTQLQIEISA-N -1 3 376.456 2.176 20 5 GEBDHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000599518991 532665125 /nfs/dbraw/zinc/66/51/25/532665125.db2.gz VHNLAQFVOSNOHY-WAAGHKOSSA-N -1 3 379.232 2.061 20 5 GEBDHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000532774593 532656876 /nfs/dbraw/zinc/65/68/76/532656876.db2.gz RQXCCZNRUWKCNR-CYBMUJFWSA-N -1 3 386.813 2.269 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599372891 532658731 /nfs/dbraw/zinc/65/87/31/532658731.db2.gz ORKCSHKUYXETSC-GFCCVEGCSA-N -1 3 378.332 2.182 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CCOCC2)c1 ZINC000264462127 532675091 /nfs/dbraw/zinc/67/50/91/532675091.db2.gz AJHYZLAYEMXTPY-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM CC(C)CSCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000535896767 532688375 /nfs/dbraw/zinc/68/83/75/532688375.db2.gz AMJJIYZDIZCKQZ-UHFFFAOYSA-N -1 3 376.456 2.034 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCOCC2)c(Cl)c1 ZINC000266261603 532713521 /nfs/dbraw/zinc/71/35/21/532713521.db2.gz ZMTOMXCXYWGMJI-UHFFFAOYSA-N -1 3 378.834 2.112 20 5 GEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000286012703 532724020 /nfs/dbraw/zinc/72/40/20/532724020.db2.gz OPWOYARFHWYIOH-UHFFFAOYSA-N -1 3 398.750 2.442 20 5 GEBDHM Cc1cc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000266868161 532728516 /nfs/dbraw/zinc/72/85/16/532728516.db2.gz ZRFWPLJOLAEBKN-UHFFFAOYSA-N -1 3 382.467 2.307 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCCO)c(Cl)c1 ZINC000443236459 532743688 /nfs/dbraw/zinc/74/36/88/532743688.db2.gz XUYVMAKGEYAXNW-UHFFFAOYSA-N -1 3 386.813 2.098 20 5 GEBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443514912 532748064 /nfs/dbraw/zinc/74/80/64/532748064.db2.gz ZCQUUAWEMDJFNX-VIFPVBQESA-N -1 3 395.275 2.433 20 5 GEBDHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000542238525 532768118 /nfs/dbraw/zinc/76/81/18/532768118.db2.gz WEBDJFJCWFDGPG-PRHODGIISA-N -1 3 379.232 2.203 20 5 GEBDHM CN(C)C(=O)Cc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272877427 532818752 /nfs/dbraw/zinc/81/87/52/532818752.db2.gz UTZASFYEMNHMFT-UHFFFAOYSA-N -1 3 383.451 2.434 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000273490868 532824835 /nfs/dbraw/zinc/82/48/35/532824835.db2.gz HCZSBWQAKBGVNS-PWSUYJOCSA-N -1 3 388.467 2.334 20 5 GEBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332591471 532857309 /nfs/dbraw/zinc/85/73/09/532857309.db2.gz KQSACNOCFLUIMK-MNOVXSKESA-N -1 3 388.467 2.319 20 5 GEBDHM CCOC(=O)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416378619 532873509 /nfs/dbraw/zinc/87/35/09/532873509.db2.gz SEPXKEODSBNDHD-UHFFFAOYSA-N -1 3 384.332 2.235 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000275397101 532875118 /nfs/dbraw/zinc/87/51/18/532875118.db2.gz NWEUOQMCJVRUFM-AWEZNQCLSA-N -1 3 378.422 2.064 20 5 GEBDHM CN(CC(=O)[O-])C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000416406268 532876664 /nfs/dbraw/zinc/87/66/64/532876664.db2.gz XJKSMGQXYAJHLI-JTQLQIEISA-N -1 3 378.212 2.123 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000416408196 532876731 /nfs/dbraw/zinc/87/67/31/532876731.db2.gz OOSBHBWKQZCIAH-KOLCDFICSA-N -1 3 381.376 2.375 20 5 GEBDHM C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@@](C)=O ZINC000416433259 532877050 /nfs/dbraw/zinc/87/70/50/532877050.db2.gz ODSRHGLOLPCBNJ-JRSYYBBYSA-N -1 3 388.389 2.049 20 5 GEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000291866955 532909918 /nfs/dbraw/zinc/90/99/18/532909918.db2.gz JIMQNBSJZWKRFP-UHFFFAOYSA-N -1 3 384.439 2.223 20 5 GEBDHM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000366808601 532921457 /nfs/dbraw/zinc/92/14/57/532921457.db2.gz UXJPLUJCRJWARE-GFCCVEGCSA-N -1 3 381.435 2.433 20 5 GEBDHM COc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737042864 598889713 /nfs/dbraw/zinc/88/97/13/598889713.db2.gz UBAWELAZIKXBNY-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM COc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737042864 598889715 /nfs/dbraw/zinc/88/97/15/598889715.db2.gz UBAWELAZIKXBNY-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM Cc1noc(COc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)n1 ZINC000737547475 598914674 /nfs/dbraw/zinc/91/46/74/598914674.db2.gz VFGGROIGGDTAEO-UHFFFAOYSA-N -1 3 395.339 2.184 20 5 GEBDHM Cc1noc(COc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)n1 ZINC000737547475 598914675 /nfs/dbraw/zinc/91/46/75/598914675.db2.gz VFGGROIGGDTAEO-UHFFFAOYSA-N -1 3 395.339 2.184 20 5 GEBDHM O=C1COc2ccccc2N1CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000823541593 599040647 /nfs/dbraw/zinc/04/06/47/599040647.db2.gz RANIZSFKLRJRPI-UHFFFAOYSA-N -1 3 395.379 2.003 20 5 GEBDHM O=C1COc2ccccc2N1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000823541593 599040650 /nfs/dbraw/zinc/04/06/50/599040650.db2.gz RANIZSFKLRJRPI-UHFFFAOYSA-N -1 3 395.379 2.003 20 5 GEBDHM COc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1N1CCOC1=O ZINC000821837290 599107551 /nfs/dbraw/zinc/10/75/51/599107551.db2.gz CGMVEDIEMIRFSQ-UHFFFAOYSA-N -1 3 397.351 2.484 20 5 GEBDHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1N1CCOC1=O ZINC000821837290 599107553 /nfs/dbraw/zinc/10/75/53/599107553.db2.gz CGMVEDIEMIRFSQ-UHFFFAOYSA-N -1 3 397.351 2.484 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737115139 599159690 /nfs/dbraw/zinc/15/96/90/599159690.db2.gz KUJSPRPNWWZKKE-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737115139 599159693 /nfs/dbraw/zinc/15/96/93/599159693.db2.gz KUJSPRPNWWZKKE-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM CC(C)Oc1ccc([C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735916008 599170955 /nfs/dbraw/zinc/17/09/55/599170955.db2.gz YMDGFFMEEABCDF-OAHLLOKOSA-N -1 3 385.384 2.103 20 5 GEBDHM CC(C)Oc1ccc([C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735916008 599170957 /nfs/dbraw/zinc/17/09/57/599170957.db2.gz YMDGFFMEEABCDF-OAHLLOKOSA-N -1 3 385.384 2.103 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000823646967 599219840 /nfs/dbraw/zinc/21/98/40/599219840.db2.gz FBMDHOPZEVRHNO-AWEZNQCLSA-N -1 3 395.379 2.283 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000823646967 599219841 /nfs/dbraw/zinc/21/98/41/599219841.db2.gz FBMDHOPZEVRHNO-AWEZNQCLSA-N -1 3 395.379 2.283 20 5 GEBDHM C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820366354 599259409 /nfs/dbraw/zinc/25/94/09/599259409.db2.gz NSDYFEVFHVVOFR-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820366354 599259411 /nfs/dbraw/zinc/25/94/11/599259411.db2.gz NSDYFEVFHVVOFR-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM Cc1nc(N2CCOCC2)ccc1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822449484 607306007 /nfs/dbraw/zinc/30/60/07/607306007.db2.gz BJAXTWYRRUITDT-UHFFFAOYSA-N -1 3 382.384 2.059 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366100 599273787 /nfs/dbraw/zinc/27/37/87/599273787.db2.gz CHVSIHJJBJWQOJ-CYBMUJFWSA-N -1 3 391.391 2.339 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)Cc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366100 599273789 /nfs/dbraw/zinc/27/37/89/599273789.db2.gz CHVSIHJJBJWQOJ-CYBMUJFWSA-N -1 3 391.391 2.339 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735635345 598246261 /nfs/dbraw/zinc/24/62/61/598246261.db2.gz CBPBCKMBSIBFCQ-LLVKDONJSA-N -1 3 389.416 2.126 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735635345 598246262 /nfs/dbraw/zinc/24/62/62/598246262.db2.gz CBPBCKMBSIBFCQ-LLVKDONJSA-N -1 3 389.416 2.126 20 5 GEBDHM Cc1nn(CCC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000737513404 598326091 /nfs/dbraw/zinc/32/60/91/598326091.db2.gz LVNOQABJKYYSGP-UHFFFAOYSA-N -1 3 390.791 2.270 20 5 GEBDHM Cc1nn(CCC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000737513404 598326093 /nfs/dbraw/zinc/32/60/93/598326093.db2.gz LVNOQABJKYYSGP-UHFFFAOYSA-N -1 3 390.791 2.270 20 5 GEBDHM COc1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737086319 598388001 /nfs/dbraw/zinc/38/80/01/598388001.db2.gz HOGZPGSTMDANSA-JTQLQIEISA-N -1 3 385.384 2.230 20 5 GEBDHM COc1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737086319 598388002 /nfs/dbraw/zinc/38/80/02/598388002.db2.gz HOGZPGSTMDANSA-JTQLQIEISA-N -1 3 385.384 2.230 20 5 GEBDHM O=C1CCCCN1c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000738303911 598498957 /nfs/dbraw/zinc/49/89/57/598498957.db2.gz UJHSQBPVBPUAFQ-UHFFFAOYSA-N -1 3 380.368 2.430 20 5 GEBDHM O=C1CCCCN1c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000738303911 598498959 /nfs/dbraw/zinc/49/89/59/598498959.db2.gz UJHSQBPVBPUAFQ-UHFFFAOYSA-N -1 3 380.368 2.430 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC[C@H]3CCCO3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374995 598499897 /nfs/dbraw/zinc/49/98/97/598499897.db2.gz XEQCXFPAHACMDQ-CQSZACIVSA-N -1 3 383.368 2.471 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC[C@H]3CCCO3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374995 598499899 /nfs/dbraw/zinc/49/98/99/598499899.db2.gz XEQCXFPAHACMDQ-CQSZACIVSA-N -1 3 383.368 2.471 20 5 GEBDHM Cc1nccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737503363 598501132 /nfs/dbraw/zinc/50/11/32/598501132.db2.gz UVXDTEYSWWDAAI-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM Cc1nccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737503363 598501133 /nfs/dbraw/zinc/50/11/33/598501133.db2.gz UVXDTEYSWWDAAI-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737918866 598583829 /nfs/dbraw/zinc/58/38/29/598583829.db2.gz AMTGRTMBWOVWLB-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737918866 598583831 /nfs/dbraw/zinc/58/38/31/598583831.db2.gz AMTGRTMBWOVWLB-UHFFFAOYSA-N -1 3 376.279 2.071 20 5 GEBDHM COc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000737040594 598590565 /nfs/dbraw/zinc/59/05/65/598590565.db2.gz ILYAVMBVEYVYAJ-UHFFFAOYSA-N -1 3 388.315 2.184 20 5 GEBDHM COc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000737040594 598590567 /nfs/dbraw/zinc/59/05/67/598590567.db2.gz ILYAVMBVEYVYAJ-UHFFFAOYSA-N -1 3 388.315 2.184 20 5 GEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736300595 598601746 /nfs/dbraw/zinc/60/17/46/598601746.db2.gz ZCIOZYMIMSQYHD-LLVKDONJSA-N -1 3 379.380 2.165 20 5 GEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736300595 598601748 /nfs/dbraw/zinc/60/17/48/598601748.db2.gz ZCIOZYMIMSQYHD-LLVKDONJSA-N -1 3 379.380 2.165 20 5 GEBDHM O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826416060 607362858 /nfs/dbraw/zinc/36/28/58/607362858.db2.gz GITWBVKBVMUCNZ-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826416060 607362859 /nfs/dbraw/zinc/36/28/59/607362859.db2.gz GITWBVKBVMUCNZ-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736300638 598735651 /nfs/dbraw/zinc/73/56/51/598735651.db2.gz ZQAKDIUCHKFBBR-NSHDSACASA-N -1 3 380.364 2.132 20 5 GEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736300638 598735652 /nfs/dbraw/zinc/73/56/52/598735652.db2.gz ZQAKDIUCHKFBBR-NSHDSACASA-N -1 3 380.364 2.132 20 5 GEBDHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738223353 598737754 /nfs/dbraw/zinc/73/77/54/598737754.db2.gz HWFDDGMHORHHFW-UHFFFAOYSA-N -1 3 389.759 2.092 20 5 GEBDHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738223353 598737755 /nfs/dbraw/zinc/73/77/55/598737755.db2.gz HWFDDGMHORHHFW-UHFFFAOYSA-N -1 3 389.759 2.092 20 5 GEBDHM CNC(=O)c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736877079 598814146 /nfs/dbraw/zinc/81/41/46/598814146.db2.gz HDEFFTJFMBCPQI-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM CNC(=O)c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000736877079 598814148 /nfs/dbraw/zinc/81/41/48/598814148.db2.gz HDEFFTJFMBCPQI-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822270841 599326369 /nfs/dbraw/zinc/32/63/69/599326369.db2.gz ADQHHNBQXSNLGZ-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822270841 599326371 /nfs/dbraw/zinc/32/63/71/599326371.db2.gz ADQHHNBQXSNLGZ-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000822137661 599360138 /nfs/dbraw/zinc/36/01/38/599360138.db2.gz WHDAOCFSNMGCGU-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000822137661 599360140 /nfs/dbraw/zinc/36/01/40/599360140.db2.gz WHDAOCFSNMGCGU-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000822136129 599360340 /nfs/dbraw/zinc/36/03/40/599360340.db2.gz JGSHIOBSTRPSJE-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000822136129 599360344 /nfs/dbraw/zinc/36/03/44/599360344.db2.gz JGSHIOBSTRPSJE-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000822136714 599360406 /nfs/dbraw/zinc/36/04/06/599360406.db2.gz OOTVCOAGJCWFAM-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000822136714 599360409 /nfs/dbraw/zinc/36/04/09/599360409.db2.gz OOTVCOAGJCWFAM-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000737002684 599420099 /nfs/dbraw/zinc/42/00/99/599420099.db2.gz RVXQMKPTGJJGJY-UHFFFAOYSA-N -1 3 389.803 2.476 20 5 GEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000737002684 599420100 /nfs/dbraw/zinc/42/01/00/599420100.db2.gz RVXQMKPTGJJGJY-UHFFFAOYSA-N -1 3 389.803 2.476 20 5 GEBDHM CN(CCCNC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736801815 599442332 /nfs/dbraw/zinc/44/23/32/599442332.db2.gz VRCRXSIYHSHMQB-UHFFFAOYSA-N -1 3 377.405 2.126 20 5 GEBDHM CN(CCCNC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736801815 599442334 /nfs/dbraw/zinc/44/23/34/599442334.db2.gz VRCRXSIYHSHMQB-UHFFFAOYSA-N -1 3 377.405 2.126 20 5 GEBDHM CC[C@H](C)NC(=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820876479 599484483 /nfs/dbraw/zinc/48/44/83/599484483.db2.gz QVPDNVMAKHOQDH-JTQLQIEISA-N -1 3 384.400 2.040 20 5 GEBDHM CC[C@H](C)NC(=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820876479 599484484 /nfs/dbraw/zinc/48/44/84/599484484.db2.gz QVPDNVMAKHOQDH-JTQLQIEISA-N -1 3 384.400 2.040 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCNc3ncccn3)cc(-c3nnn[n-]3)c2c1 ZINC000823644653 599487496 /nfs/dbraw/zinc/48/74/96/599487496.db2.gz JXHKKXMWDQWALP-UHFFFAOYSA-N -1 3 392.383 2.027 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCNc3ncccn3)cc(-c3nn[n-]n3)c2c1 ZINC000823644653 599487498 /nfs/dbraw/zinc/48/74/98/599487498.db2.gz JXHKKXMWDQWALP-UHFFFAOYSA-N -1 3 392.383 2.027 20 5 GEBDHM C[C@H]1COCCN1c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736293493 599535635 /nfs/dbraw/zinc/53/56/35/599535635.db2.gz OXABOGRXXCEUET-NSHDSACASA-N -1 3 382.384 2.139 20 5 GEBDHM C[C@H]1COCCN1c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736293493 599535636 /nfs/dbraw/zinc/53/56/36/599535636.db2.gz OXABOGRXXCEUET-NSHDSACASA-N -1 3 382.384 2.139 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820390847 599541755 /nfs/dbraw/zinc/54/17/55/599541755.db2.gz LQPSLGUPLJMHEL-NSHDSACASA-N -1 3 381.396 2.332 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820390847 599541757 /nfs/dbraw/zinc/54/17/57/599541757.db2.gz LQPSLGUPLJMHEL-NSHDSACASA-N -1 3 381.396 2.332 20 5 GEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619117 599686584 /nfs/dbraw/zinc/68/65/84/599686584.db2.gz KEQMXYZIIIHSQB-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619117 599686585 /nfs/dbraw/zinc/68/65/85/599686585.db2.gz KEQMXYZIIIHSQB-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM COc1ccc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826205715 607390472 /nfs/dbraw/zinc/39/04/72/607390472.db2.gz IVQQGKGEMWXWBX-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM COc1ccc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000826205715 607390475 /nfs/dbraw/zinc/39/04/75/607390475.db2.gz IVQQGKGEMWXWBX-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM CNc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000826090260 607424364 /nfs/dbraw/zinc/42/43/64/607424364.db2.gz FCPKFLSIFFXCJW-UHFFFAOYSA-N -1 3 379.380 2.236 20 5 GEBDHM CNc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826090260 607424365 /nfs/dbraw/zinc/42/43/65/607424365.db2.gz FCPKFLSIFFXCJW-UHFFFAOYSA-N -1 3 379.380 2.236 20 5 GEBDHM Cc1c(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826236710 607427188 /nfs/dbraw/zinc/42/71/88/607427188.db2.gz ZUVOFSOHLFVNTJ-UHFFFAOYSA-N -1 3 378.392 2.431 20 5 GEBDHM Cc1c(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826236710 607427190 /nfs/dbraw/zinc/42/71/90/607427190.db2.gz ZUVOFSOHLFVNTJ-UHFFFAOYSA-N -1 3 378.392 2.431 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826499104 607451395 /nfs/dbraw/zinc/45/13/95/607451395.db2.gz VYTNWXHZSWECKP-KRWDZBQOSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826499104 607451398 /nfs/dbraw/zinc/45/13/98/607451398.db2.gz VYTNWXHZSWECKP-KRWDZBQOSA-N -1 3 395.423 2.260 20 5 GEBDHM O=C1[C@@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823510831 607466636 /nfs/dbraw/zinc/46/66/36/607466636.db2.gz AQPCRKGQAUZOJD-ZDUSSCGKSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C1[C@@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823510831 607466637 /nfs/dbraw/zinc/46/66/37/607466637.db2.gz AQPCRKGQAUZOJD-ZDUSSCGKSA-N -1 3 383.393 2.068 20 5 GEBDHM COc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821728715 607470178 /nfs/dbraw/zinc/47/01/78/607470178.db2.gz YQVIKSKWDANUDV-SECBINFHSA-N -1 3 383.368 2.114 20 5 GEBDHM COc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821728715 607470179 /nfs/dbraw/zinc/47/01/79/607470179.db2.gz YQVIKSKWDANUDV-SECBINFHSA-N -1 3 383.368 2.114 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826183754 607510011 /nfs/dbraw/zinc/51/00/11/607510011.db2.gz ZEGZGWWZJWYPQE-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM O=C([O-])[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCN(Cc2ccccc2)C1 ZINC000833129254 601730626 /nfs/dbraw/zinc/73/06/26/601730626.db2.gz YFZGVDWIXDGABY-HXUWFJFHSA-N -1 3 383.404 2.444 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824420654 607541589 /nfs/dbraw/zinc/54/15/89/607541589.db2.gz NKLPDGUYPDVIDR-SNVBAGLBSA-N -1 3 377.405 2.348 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824420654 607541591 /nfs/dbraw/zinc/54/15/91/607541591.db2.gz NKLPDGUYPDVIDR-SNVBAGLBSA-N -1 3 377.405 2.348 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ncccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000826499434 607564041 /nfs/dbraw/zinc/56/40/41/607564041.db2.gz IODUZORTBPJFEH-UHFFFAOYSA-N -1 3 396.342 2.348 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ncccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000826499434 607564042 /nfs/dbraw/zinc/56/40/42/607564042.db2.gz IODUZORTBPJFEH-UHFFFAOYSA-N -1 3 396.342 2.348 20 5 GEBDHM COc1ccc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1-c1nnn[n-]1 ZINC000826205603 607612384 /nfs/dbraw/zinc/61/23/84/607612384.db2.gz CHIKVDMPDNMELY-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1-c1nn[n-]n1 ZINC000826205603 607612386 /nfs/dbraw/zinc/61/23/86/607612386.db2.gz CHIKVDMPDNMELY-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1-c1nnn[n-]1 ZINC000826200849 607628204 /nfs/dbraw/zinc/62/82/04/607628204.db2.gz MHMIVEKHZMJNQO-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM COc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1-c1nn[n-]n1 ZINC000826200849 607628206 /nfs/dbraw/zinc/62/82/06/607628206.db2.gz MHMIVEKHZMJNQO-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM COCCCOc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826157096 607729847 /nfs/dbraw/zinc/72/98/47/607729847.db2.gz HQOFFFGGKBDNIX-UHFFFAOYSA-N -1 3 385.384 2.197 20 5 GEBDHM COCCCOc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826157096 607729848 /nfs/dbraw/zinc/72/98/48/607729848.db2.gz HQOFFFGGKBDNIX-UHFFFAOYSA-N -1 3 385.384 2.197 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000826498209 607734403 /nfs/dbraw/zinc/73/44/03/607734403.db2.gz LIDLPEHJZZSRIM-ZBEGNZNMSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c(-c2nn[n-]n2)c1 ZINC000826498209 607734404 /nfs/dbraw/zinc/73/44/04/607734404.db2.gz LIDLPEHJZZSRIM-ZBEGNZNMSA-N -1 3 388.334 2.365 20 5 GEBDHM CCOC(=O)c1sc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1C ZINC000821346158 606103291 /nfs/dbraw/zinc/10/32/91/606103291.db2.gz DFLJGDAHJNDMOY-UHFFFAOYSA-N -1 3 389.397 2.329 20 5 GEBDHM CCOC(=O)c1sc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1C ZINC000821346158 606103293 /nfs/dbraw/zinc/10/32/93/606103293.db2.gz DFLJGDAHJNDMOY-UHFFFAOYSA-N -1 3 389.397 2.329 20 5 GEBDHM O=C1[C@@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823513113 606248065 /nfs/dbraw/zinc/24/80/65/606248065.db2.gz SWOYLPHDNWJUNS-AWEZNQCLSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823513113 606248066 /nfs/dbraw/zinc/24/80/66/606248066.db2.gz SWOYLPHDNWJUNS-AWEZNQCLSA-N -1 3 383.343 2.131 20 5 GEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000822632344 606257914 /nfs/dbraw/zinc/25/79/14/606257914.db2.gz VOEDKDYHCICGSG-INIZCTEOSA-N -1 3 385.409 2.001 20 5 GEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000822632344 606257915 /nfs/dbraw/zinc/25/79/15/606257915.db2.gz VOEDKDYHCICGSG-INIZCTEOSA-N -1 3 385.409 2.001 20 5 GEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000822632345 606258016 /nfs/dbraw/zinc/25/80/16/606258016.db2.gz VOEDKDYHCICGSG-MRXNPFEDSA-N -1 3 385.409 2.001 20 5 GEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000822632345 606258017 /nfs/dbraw/zinc/25/80/17/606258017.db2.gz VOEDKDYHCICGSG-MRXNPFEDSA-N -1 3 385.409 2.001 20 5 GEBDHM C[C@H](N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419404 606301170 /nfs/dbraw/zinc/30/11/70/606301170.db2.gz GTARLULZGIUVJI-HZMBPMFUSA-N -1 3 399.436 2.293 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647114 606429909 /nfs/dbraw/zinc/42/99/09/606429909.db2.gz GCKZXMPFDIRANF-INIZCTEOSA-N -1 3 395.423 2.398 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647114 606429911 /nfs/dbraw/zinc/42/99/11/606429911.db2.gz GCKZXMPFDIRANF-INIZCTEOSA-N -1 3 395.423 2.398 20 5 GEBDHM Cc1ccc([C@@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229348 606448888 /nfs/dbraw/zinc/44/88/88/606448888.db2.gz SAMMALVPVNDEMG-GFCCVEGCSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1ccc([C@@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229348 606448890 /nfs/dbraw/zinc/44/88/90/606448890.db2.gz SAMMALVPVNDEMG-GFCCVEGCSA-N -1 3 382.380 2.340 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823037367 606623045 /nfs/dbraw/zinc/62/30/45/606623045.db2.gz WDXCOKHUVMYJQR-UHFFFAOYSA-N -1 3 391.347 2.341 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CC(OCCCOc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823640004 606643904 /nfs/dbraw/zinc/64/39/04/606643904.db2.gz OPPQSNVDKATMEE-UHFFFAOYSA-N -1 3 396.407 2.449 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CC(OCCCOc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823640004 606643905 /nfs/dbraw/zinc/64/39/05/606643905.db2.gz OPPQSNVDKATMEE-UHFFFAOYSA-N -1 3 396.407 2.449 20 5 GEBDHM O=C(COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823022379 606760572 /nfs/dbraw/zinc/76/05/72/606760572.db2.gz FBLBASAZJVIIQU-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=C(COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823022379 606760574 /nfs/dbraw/zinc/76/05/74/606760574.db2.gz FBLBASAZJVIIQU-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000823644096 606794332 /nfs/dbraw/zinc/79/43/32/606794332.db2.gz FLVHIUKLOLAHCF-UHFFFAOYSA-N -1 3 387.786 2.258 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000823644096 606794334 /nfs/dbraw/zinc/79/43/34/606794334.db2.gz FLVHIUKLOLAHCF-UHFFFAOYSA-N -1 3 387.786 2.258 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823303585 606811730 /nfs/dbraw/zinc/81/17/30/606811730.db2.gz NNDROJACQDGZTQ-UHFFFAOYSA-N -1 3 379.258 2.441 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823303585 606811731 /nfs/dbraw/zinc/81/17/31/606811731.db2.gz NNDROJACQDGZTQ-UHFFFAOYSA-N -1 3 379.258 2.441 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823049304 606813374 /nfs/dbraw/zinc/81/33/74/606813374.db2.gz BBPZHFAPRNHSQL-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823049304 606813376 /nfs/dbraw/zinc/81/33/76/606813376.db2.gz BBPZHFAPRNHSQL-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822907537 606899878 /nfs/dbraw/zinc/89/98/78/606899878.db2.gz RQCZQGWYYOKDKO-UHFFFAOYSA-N -1 3 397.326 2.106 20 5 GEBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822907537 606899879 /nfs/dbraw/zinc/89/98/79/606899879.db2.gz RQCZQGWYYOKDKO-UHFFFAOYSA-N -1 3 397.326 2.106 20 5 GEBDHM CS(=O)(=O)c1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821938240 606945190 /nfs/dbraw/zinc/94/51/90/606945190.db2.gz ZVMKQFTYCILXIE-UHFFFAOYSA-N -1 3 377.407 2.330 20 5 GEBDHM CS(=O)(=O)c1ccc(Sc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821938240 606945192 /nfs/dbraw/zinc/94/51/92/606945192.db2.gz ZVMKQFTYCILXIE-UHFFFAOYSA-N -1 3 377.407 2.330 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000823646962 606965425 /nfs/dbraw/zinc/96/54/25/606965425.db2.gz DVPSAJPWTQHACU-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000823646962 606965427 /nfs/dbraw/zinc/96/54/27/606965427.db2.gz DVPSAJPWTQHACU-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822458926 607008833 /nfs/dbraw/zinc/00/88/33/607008833.db2.gz JFABXOVQGKYSPB-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822458926 607008834 /nfs/dbraw/zinc/00/88/34/607008834.db2.gz JFABXOVQGKYSPB-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(O)CCCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644614 607032716 /nfs/dbraw/zinc/03/27/16/607032716.db2.gz JMCGWXJZIYFAHL-BUXKBTBVSA-N -1 3 395.423 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(O)CCCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644614 607032718 /nfs/dbraw/zinc/03/27/18/607032718.db2.gz JMCGWXJZIYFAHL-BUXKBTBVSA-N -1 3 395.423 2.455 20 5 GEBDHM CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376269 607800222 /nfs/dbraw/zinc/80/02/22/607800222.db2.gz FGKLCWKACUQDBM-UHFFFAOYSA-N -1 3 392.379 2.178 20 5 GEBDHM CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376269 607800223 /nfs/dbraw/zinc/80/02/23/607800223.db2.gz FGKLCWKACUQDBM-UHFFFAOYSA-N -1 3 392.379 2.178 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826417258 607834648 /nfs/dbraw/zinc/83/46/48/607834648.db2.gz KCUCLUAQGAAEIW-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)CC(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000826499735 607935488 /nfs/dbraw/zinc/93/54/88/607935488.db2.gz VAKGHKIIARHOSE-SSDOTTSWSA-N -1 3 383.290 2.048 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)CC(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000826499735 607935489 /nfs/dbraw/zinc/93/54/89/607935489.db2.gz VAKGHKIIARHOSE-SSDOTTSWSA-N -1 3 383.290 2.048 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826440502 607940478 /nfs/dbraw/zinc/94/04/78/607940478.db2.gz OKUVLHPBNCYSNB-UHFFFAOYSA-N -1 3 397.370 2.182 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826440502 607940479 /nfs/dbraw/zinc/94/04/79/607940479.db2.gz OKUVLHPBNCYSNB-UHFFFAOYSA-N -1 3 397.370 2.182 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826401659 607956872 /nfs/dbraw/zinc/95/68/72/607956872.db2.gz DFHFRPKJANXZLM-HJWRWDBZSA-N -1 3 376.376 2.373 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826401659 607956873 /nfs/dbraw/zinc/95/68/73/607956873.db2.gz DFHFRPKJANXZLM-HJWRWDBZSA-N -1 3 376.376 2.373 20 5 GEBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824172716 608008346 /nfs/dbraw/zinc/00/83/46/608008346.db2.gz QBRURFWJIPCWTQ-UHFFFAOYSA-N -1 3 396.407 2.291 20 5 GEBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824172716 608008347 /nfs/dbraw/zinc/00/83/47/608008347.db2.gz QBRURFWJIPCWTQ-UHFFFAOYSA-N -1 3 396.407 2.291 20 5 GEBDHM CC(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255210 608062293 /nfs/dbraw/zinc/06/22/93/608062293.db2.gz COWZJMQIXMTJTO-UHFFFAOYSA-N -1 3 383.412 2.099 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000826162208 608138486 /nfs/dbraw/zinc/13/84/86/608138486.db2.gz SBZJBFLCQRQPCM-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000826162208 608138487 /nfs/dbraw/zinc/13/84/87/608138487.db2.gz SBZJBFLCQRQPCM-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826412897 608210258 /nfs/dbraw/zinc/21/02/58/608210258.db2.gz IKOXFZQGMGSLSE-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000826171719 608347254 /nfs/dbraw/zinc/34/72/54/608347254.db2.gz VZYQHOFQZIYSQB-UHFFFAOYSA-N -1 3 398.379 2.329 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000826171719 608347256 /nfs/dbraw/zinc/34/72/56/608347256.db2.gz VZYQHOFQZIYSQB-UHFFFAOYSA-N -1 3 398.379 2.329 20 5 GEBDHM C[C@H](c1cccc(F)c1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824771516 608409583 /nfs/dbraw/zinc/40/95/83/608409583.db2.gz QRKUPYQPAPHOSL-GFCCVEGCSA-N -1 3 398.402 2.192 20 5 GEBDHM C[C@H](c1cccc(F)c1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824771516 608409584 /nfs/dbraw/zinc/40/95/84/608409584.db2.gz QRKUPYQPAPHOSL-GFCCVEGCSA-N -1 3 398.402 2.192 20 5 GEBDHM Nc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826395595 608486529 /nfs/dbraw/zinc/48/65/29/608486529.db2.gz KIXRAHNUJGQHMA-UHFFFAOYSA-N -1 3 391.391 2.287 20 5 GEBDHM Nc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826395595 608486531 /nfs/dbraw/zinc/48/65/31/608486531.db2.gz KIXRAHNUJGQHMA-UHFFFAOYSA-N -1 3 391.391 2.287 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826330289 608486729 /nfs/dbraw/zinc/48/67/29/608486729.db2.gz NHBBJBMCUQIMJM-UHFFFAOYSA-N -1 3 391.391 2.408 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826330289 608486731 /nfs/dbraw/zinc/48/67/31/608486731.db2.gz NHBBJBMCUQIMJM-UHFFFAOYSA-N -1 3 391.391 2.408 20 5 GEBDHM C[C@@H](CCNC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824400211 609320235 /nfs/dbraw/zinc/32/02/35/609320235.db2.gz CFBWWFNPPASAOB-JTQLQIEISA-N -1 3 377.405 2.490 20 5 GEBDHM C[C@@H](CCNC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824400211 609320236 /nfs/dbraw/zinc/32/02/36/609320236.db2.gz CFBWWFNPPASAOB-JTQLQIEISA-N -1 3 377.405 2.490 20 5 GEBDHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826453619 609423930 /nfs/dbraw/zinc/42/39/30/609423930.db2.gz RRQJLWQRGCWHFA-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000826453619 609423933 /nfs/dbraw/zinc/42/39/33/609423933.db2.gz RRQJLWQRGCWHFA-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826498192 609535972 /nfs/dbraw/zinc/53/59/72/609535972.db2.gz KRRYQKDMYQFSKC-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826498192 609535975 /nfs/dbraw/zinc/53/59/75/609535975.db2.gz KRRYQKDMYQFSKC-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447037040 649995709 /nfs/dbraw/zinc/99/57/09/649995709.db2.gz JUDBCKLNDLNTII-QMMMGPOBSA-N -1 3 384.332 2.091 20 5 GEBDHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000451993121 650163158 /nfs/dbraw/zinc/16/31/58/650163158.db2.gz OYJLQJRDNLPKCY-SDBXPKJASA-N -1 3 393.259 2.449 20 5 GEBDHM CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000494394678 650806471 /nfs/dbraw/zinc/80/64/71/650806471.db2.gz SFNSLSHJTVQLOW-UHFFFAOYSA-N -1 3 375.394 2.209 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cn3ccnc3)cc2)s1 ZINC000098117736 643103501 /nfs/dbraw/zinc/10/35/01/643103501.db2.gz RLHAMBRHEUFEQW-UHFFFAOYSA-N -1 3 378.435 2.380 20 5 GEBDHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000159221183 644181692 /nfs/dbraw/zinc/18/16/92/644181692.db2.gz SNYBUAHUYAKIQO-UHFFFAOYSA-N -1 3 395.275 2.434 20 5 GEBDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000160210882 644199685 /nfs/dbraw/zinc/19/96/85/644199685.db2.gz YTRGKVJRYSAGLV-UHFFFAOYSA-N -1 3 381.248 2.187 20 5 GEBDHM CC(C)(CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178828784 644441984 /nfs/dbraw/zinc/44/19/84/644441984.db2.gz BZABABKGXNKCGJ-UHFFFAOYSA-N -1 3 381.248 2.044 20 5 GEBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000246768080 645493538 /nfs/dbraw/zinc/49/35/38/645493538.db2.gz YMXYYKYZAODUSX-YHBNFXLMSA-N -1 3 378.447 2.092 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000269495097 646041190 /nfs/dbraw/zinc/04/11/90/646041190.db2.gz UUUGBTSLALEMHX-KCJUWKMLSA-N -1 3 379.232 2.203 20 5 GEBDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269768834 646053844 /nfs/dbraw/zinc/05/38/44/646053844.db2.gz FHHFMISURIXIDD-JTQLQIEISA-N -1 3 395.275 2.434 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000270584056 646122817 /nfs/dbraw/zinc/12/28/17/646122817.db2.gz XFWITIOAZNPWAP-JTQLQIEISA-N -1 3 376.740 2.148 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)O1 ZINC000416611609 648186771 /nfs/dbraw/zinc/18/67/71/648186771.db2.gz YBDAABPWMWOYPO-KXUCPTDWSA-N -1 3 393.259 2.449 20 5 GEBDHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443257719 648869702 /nfs/dbraw/zinc/86/97/02/648869702.db2.gz PYPGGMSZKXXOFT-NSHDSACASA-N -1 3 381.248 2.043 20 5 GEBDHM O=c1[n-]cnc2c1CN(c1ccc(I)cc1[N+](=O)[O-])CC2 ZINC000558920606 651287926 /nfs/dbraw/zinc/28/79/26/651287926.db2.gz PSPDJKXECSHNCL-UHFFFAOYSA-N -1 3 398.160 2.258 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCCO3)c(Cl)c1 ZINC000728058677 651536345 /nfs/dbraw/zinc/53/63/45/651536345.db2.gz CVNMNQALRFFXFA-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H]2CCN(C3CCCCC3)C2=O)s1 ZINC000611281547 651717355 /nfs/dbraw/zinc/71/73/55/651717355.db2.gz UTFGPBOPMUVHSZ-LLVKDONJSA-N -1 3 387.483 2.405 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCOC1 ZINC000742312566 651979197 /nfs/dbraw/zinc/97/91/97/651979197.db2.gz NDBMSXSSEJNFKZ-DTWKUNHWSA-N -1 3 379.232 2.061 20 5 GEBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000745941132 652089335 /nfs/dbraw/zinc/08/93/35/652089335.db2.gz OOKIHRZZEVCISH-NSHDSACASA-N -1 3 381.248 2.307 20 5 GEBDHM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751276399 652337622 /nfs/dbraw/zinc/33/76/22/652337622.db2.gz AOKGDETVEREOHD-SNVBAGLBSA-N -1 3 381.248 2.043 20 5 GEBDHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751402592 652345514 /nfs/dbraw/zinc/34/55/14/652345514.db2.gz FZTMFRYTBDLVDB-KWQFWETISA-N -1 3 381.248 2.043 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000588144457 652549252 /nfs/dbraw/zinc/54/92/52/652549252.db2.gz JZINRPNNPAEJMS-NSHDSACASA-N -1 3 388.804 2.442 20 5 GEBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000593525692 652623854 /nfs/dbraw/zinc/62/38/54/652623854.db2.gz WFWLGPUTKPEOLL-AWEZNQCLSA-N -1 3 384.845 2.224 20 5 GEBDHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC[C@@H](C)CC1 ZINC000594833137 652690552 /nfs/dbraw/zinc/69/05/52/652690552.db2.gz XZGCKHPBQDIDAA-KMHCFJFGSA-N -1 3 376.456 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2CC(F)F)c(Cl)c1 ZINC000599398342 652866854 /nfs/dbraw/zinc/86/68/54/652866854.db2.gz VPGCPKJOXUSZDY-JTQLQIEISA-N -1 3 383.804 2.256 20 5 GEBDHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000780869018 653634365 /nfs/dbraw/zinc/63/43/65/653634365.db2.gz ZZSYJRXXAHZITQ-SNVBAGLBSA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)O1 ZINC000841559759 653733623 /nfs/dbraw/zinc/73/36/23/653733623.db2.gz HDMMSAGYKDKMDK-OPRDCNLKSA-N -1 3 393.259 2.449 20 5 GEBDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000845966646 653873508 /nfs/dbraw/zinc/87/35/08/653873508.db2.gz AROREBPQCJOLFU-SKDRFNHKSA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@]1(C)C[C@]1(F)Cl ZINC000845976612 653875868 /nfs/dbraw/zinc/87/58/68/653875868.db2.gz RPZMLMWWIFCAJY-UONOGXRCSA-N -1 3 394.808 2.364 20 5 GEBDHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795808583 653967939 /nfs/dbraw/zinc/96/79/39/653967939.db2.gz CCFPUQDSFOHYET-JTQLQIEISA-N -1 3 379.841 2.398 20 5 GEBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828076248 654021054 /nfs/dbraw/zinc/02/10/54/654021054.db2.gz VBHFLBZPXXZAQD-NXEZZACHSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c1 ZINC000849468735 654043331 /nfs/dbraw/zinc/04/33/31/654043331.db2.gz CWKHGNFUZUSJEZ-SNVBAGLBSA-N -1 3 393.259 2.044 20 5 GEBDHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]N=c3[nH]cccc3[N+](=O)[O-])cc21 ZINC000800838038 654160275 /nfs/dbraw/zinc/16/02/75/654160275.db2.gz NOWNLTMHNUVXSL-UHFFFAOYSA-N -1 3 382.785 2.078 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@]1(C)CC1(Cl)Cl ZINC000832148986 654240357 /nfs/dbraw/zinc/24/03/57/654240357.db2.gz UFVAUGLCICRZGQ-LBPRGKRZSA-N -1 3 397.236 2.244 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000921313300 654245565 /nfs/dbraw/zinc/24/55/65/654245565.db2.gz QREGSHBYEGVFJD-YPMHNXCESA-N -1 3 391.243 2.203 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000921856967 654332549 /nfs/dbraw/zinc/33/25/49/654332549.db2.gz ZJHLWJWIPROKRA-GXFFZTMASA-N -1 3 382.360 2.457 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000921856968 654332575 /nfs/dbraw/zinc/33/25/75/654332575.db2.gz ZJHLWJWIPROKRA-MFKMUULPSA-N -1 3 382.360 2.457 20 5 GEBDHM CNC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000056036997 531802115 /nfs/dbraw/zinc/80/21/15/531802115.db2.gz HTRZGZZDMOVBQB-UHFFFAOYSA-N -1 3 383.813 2.086 20 5 GEBDHM C[C@H]1CN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000055580111 531793890 /nfs/dbraw/zinc/79/38/90/531793890.db2.gz ULHOWWDSXJOAJK-RYUDHWBXSA-N -1 3 391.877 2.026 20 5 GEBDHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000067430085 531883794 /nfs/dbraw/zinc/88/37/94/531883794.db2.gz WBNKKJOMMBSPOL-ZETCQYMHSA-N -1 3 376.740 2.494 20 5 GEBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119444713 531968600 /nfs/dbraw/zinc/96/86/00/531968600.db2.gz NSOGSLAKEDHJEA-QPUJVOFHSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000120960842 532003242 /nfs/dbraw/zinc/00/32/42/532003242.db2.gz SMVVKOXDGZENCB-RKDXNWHRSA-N -1 3 379.232 2.061 20 5 GEBDHM Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)n1 ZINC000124851544 532130788 /nfs/dbraw/zinc/13/07/88/532130788.db2.gz NXKILWLSVDJXRZ-UHFFFAOYSA-N -1 3 398.750 2.479 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC(C)(C)C)cc1[N+](=O)[O-] ZINC000125690136 532140637 /nfs/dbraw/zinc/14/06/37/532140637.db2.gz WYKCHSQFWKPHRU-UHFFFAOYSA-N -1 3 377.488 2.184 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOCC(F)(F)F ZINC000125684871 532140767 /nfs/dbraw/zinc/14/07/67/532140767.db2.gz SYOICAQWOQLKRB-UHFFFAOYSA-N -1 3 376.740 2.496 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1csc([N+](=O)[O-])c1 ZINC000178791521 532212763 /nfs/dbraw/zinc/21/27/63/532212763.db2.gz YYSNAOHLDMWZME-UHFFFAOYSA-N -1 3 395.871 2.080 20 5 GEBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000182478186 532313683 /nfs/dbraw/zinc/31/36/83/532313683.db2.gz SCSIAXFDLCPHBA-VIFPVBQESA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C)c1 ZINC000182531524 532314681 /nfs/dbraw/zinc/31/46/81/532314681.db2.gz SQJJOSZGIXCJTI-SECBINFHSA-N -1 3 377.850 2.138 20 5 GEBDHM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000188357079 532347885 /nfs/dbraw/zinc/34/78/85/532347885.db2.gz NCCJLWOFPHBFDD-CQSZACIVSA-N -1 3 384.841 2.439 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc([S@@](C)=O)cc2)c1[N+](=O)[O-] ZINC000190059577 532354591 /nfs/dbraw/zinc/35/45/91/532354591.db2.gz IMAXEOVFVVVIEA-XMMPIXPASA-N -1 3 382.463 2.428 20 5 GEBDHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000278039611 532372231 /nfs/dbraw/zinc/37/22/31/532372231.db2.gz XJLAKPXTMJZMAM-KWQFWETISA-N -1 3 379.232 2.061 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1C ZINC000589922729 532364320 /nfs/dbraw/zinc/36/43/20/532364320.db2.gz NFMURGIXGVNFGP-MFKMUULPSA-N -1 3 382.360 2.336 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1C ZINC000589922709 532365246 /nfs/dbraw/zinc/36/52/46/532365246.db2.gz NADVQRLNKUHMNF-ZWNOBZJWSA-N -1 3 382.360 2.336 20 5 GEBDHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295190974 532416126 /nfs/dbraw/zinc/41/61/26/532416126.db2.gz DAPZALWNQZXVKX-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000592080077 532439463 /nfs/dbraw/zinc/43/94/63/532439463.db2.gz JQQXSNTYOQGXQP-GFCCVEGCSA-N -1 3 383.451 2.030 20 5 GEBDHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467255612 532443153 /nfs/dbraw/zinc/44/31/53/532443153.db2.gz CMAHQUFQNPTKGJ-LBPRGKRZSA-N -1 3 384.435 2.027 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c(C(F)(F)F)c1 ZINC000594862323 532536977 /nfs/dbraw/zinc/53/69/77/532536977.db2.gz BCHJGELMFIVSQO-RYUDHWBXSA-N -1 3 380.344 2.195 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594860288 532537384 /nfs/dbraw/zinc/53/73/84/532537384.db2.gz MCVUFOUQOMLWCV-QWHCGFSZSA-N -1 3 384.483 2.388 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000594862399 532537481 /nfs/dbraw/zinc/53/74/81/532537481.db2.gz CSNRICPSPQFKIM-NEPJUHHUSA-N -1 3 380.344 2.195 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccn1C ZINC000595382474 532562665 /nfs/dbraw/zinc/56/26/65/532562665.db2.gz JCZBDRYJPWSSPP-QMMMGPOBSA-N -1 3 378.332 2.387 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000376153223 532598302 /nfs/dbraw/zinc/59/83/02/532598302.db2.gz YAFHPQJGSJQDTQ-ABAIWWIYSA-N -1 3 390.845 2.173 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000434771215 532602265 /nfs/dbraw/zinc/60/22/65/532602265.db2.gz BCUWPMVQLZHIJK-UHFFFAOYSA-N -1 3 380.341 2.160 20 5 GEBDHM CCCN(CC)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474187370 532609639 /nfs/dbraw/zinc/60/96/39/532609639.db2.gz DEWTVBZCTIBXDE-UHFFFAOYSA-N -1 3 394.291 2.368 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000599472392 532661625 /nfs/dbraw/zinc/66/16/25/532661625.db2.gz FRULXRSGDXSYGM-UHFFFAOYSA-N -1 3 391.243 2.395 20 5 GEBDHM CN(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(F)F ZINC000599518540 532664339 /nfs/dbraw/zinc/66/43/39/532664339.db2.gz BSTRIGRFWAYNFS-UHFFFAOYSA-N -1 3 391.318 2.089 20 5 GEBDHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000535421366 532681829 /nfs/dbraw/zinc/68/18/29/532681829.db2.gz FINCSZWRBRAJJF-UHFFFAOYSA-N -1 3 385.785 2.162 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-]CCc2nnc(C(C)C)s2)c([N+](=O)[O-])c1 ZINC000490473957 532711135 /nfs/dbraw/zinc/71/11/35/532711135.db2.gz YTQOGFKUQVUWIT-UHFFFAOYSA-N -1 3 386.455 2.099 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000490468508 532711278 /nfs/dbraw/zinc/71/12/78/532711278.db2.gz GJCRPWGXJLPJCG-UHFFFAOYSA-N -1 3 376.485 2.461 20 5 GEBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000539219357 532726974 /nfs/dbraw/zinc/72/69/74/532726974.db2.gz HTLWIDAYDPNLPU-BXKDBHETSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c(Br)c1 ZINC000443234931 532743290 /nfs/dbraw/zinc/74/32/90/532743290.db2.gz RRUAFUIVSLKVJG-KOLCDFICSA-N -1 3 393.259 2.187 20 5 GEBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443298304 532744283 /nfs/dbraw/zinc/74/42/83/532744283.db2.gz PBRZGJPHYSLRSO-TVQRCGJNSA-N -1 3 395.275 2.433 20 5 GEBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443292983 532744883 /nfs/dbraw/zinc/74/48/83/532744883.db2.gz IVBLJXSGUUKABR-LBPRGKRZSA-N -1 3 395.275 2.433 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544726278 532783055 /nfs/dbraw/zinc/78/30/55/532783055.db2.gz SEQUUKFPIHMVCJ-UHFFFAOYSA-N -1 3 391.199 2.437 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2noc(COC(C)C)n2)cc1[N+](=O)[O-] ZINC000554964150 532806823 /nfs/dbraw/zinc/80/68/23/532806823.db2.gz LNWKBXPVULZOCZ-QMMMGPOBSA-N -1 3 390.443 2.312 20 5 GEBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000331009952 532831814 /nfs/dbraw/zinc/83/18/14/532831814.db2.gz RQMHTYJMDYAIBJ-MWLCHTKSSA-N -1 3 379.232 2.203 20 5 GEBDHM COC(=O)CCCO[N-]C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000288751782 532837130 /nfs/dbraw/zinc/83/71/30/532837130.db2.gz ISYLPUFGVFDJEY-UHFFFAOYSA-N -1 3 376.163 2.364 20 5 GEBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000416375150 532873293 /nfs/dbraw/zinc/87/32/93/532873293.db2.gz SPVBMGNOLJJELP-NSHDSACASA-N -1 3 384.332 2.090 20 5 GEBDHM Cc1nnc2n1CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000370255894 532942836 /nfs/dbraw/zinc/94/28/36/532942836.db2.gz JMEJYFCMQYAGQR-LLVKDONJSA-N -1 3 385.833 2.270 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897476 598881780 /nfs/dbraw/zinc/88/17/80/598881780.db2.gz QOBQRSBOVYLTFY-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897476 598881781 /nfs/dbraw/zinc/88/17/81/598881781.db2.gz QOBQRSBOVYLTFY-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000738357529 599117984 /nfs/dbraw/zinc/11/79/84/599117984.db2.gz FDGWEDOYCFTAMH-ZDUSSCGKSA-N -1 3 379.380 2.272 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000738357529 599117987 /nfs/dbraw/zinc/11/79/87/599117987.db2.gz FDGWEDOYCFTAMH-ZDUSSCGKSA-N -1 3 379.380 2.272 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738369307 599173194 /nfs/dbraw/zinc/17/31/94/599173194.db2.gz KSOWFELNZLNZRF-GFCCVEGCSA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738369307 599173195 /nfs/dbraw/zinc/17/31/95/599173195.db2.gz KSOWFELNZLNZRF-GFCCVEGCSA-N -1 3 384.375 2.390 20 5 GEBDHM CC(C)Oc1cccc([C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735912917 599205733 /nfs/dbraw/zinc/20/57/33/599205733.db2.gz JIVRPTNNTJFCGT-OAHLLOKOSA-N -1 3 385.384 2.103 20 5 GEBDHM CC(C)Oc1cccc([C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735912917 599205735 /nfs/dbraw/zinc/20/57/35/599205735.db2.gz JIVRPTNNTJFCGT-OAHLLOKOSA-N -1 3 385.384 2.103 20 5 GEBDHM COC(=O)N(C)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736932672 599231101 /nfs/dbraw/zinc/23/11/01/599231101.db2.gz PVLCYLZFZANDEV-UHFFFAOYSA-N -1 3 384.356 2.112 20 5 GEBDHM COC(=O)N(C)Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736932672 599231103 /nfs/dbraw/zinc/23/11/03/599231103.db2.gz PVLCYLZFZANDEV-UHFFFAOYSA-N -1 3 384.356 2.112 20 5 GEBDHM O=[N+]([O-])c1ccc(F)cc1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738370389 598251876 /nfs/dbraw/zinc/25/18/76/598251876.db2.gz POWCKEBHRMJCSY-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(F)cc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738370389 598251877 /nfs/dbraw/zinc/25/18/77/598251877.db2.gz POWCKEBHRMJCSY-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000736119137 598318653 /nfs/dbraw/zinc/31/86/53/598318653.db2.gz QPYNRAZEZBLQGQ-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000736119137 598318654 /nfs/dbraw/zinc/31/86/54/598318654.db2.gz QPYNRAZEZBLQGQ-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000736119136 598318738 /nfs/dbraw/zinc/31/87/38/598318738.db2.gz QPYNRAZEZBLQGQ-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000736119136 598318741 /nfs/dbraw/zinc/31/87/41/598318741.db2.gz QPYNRAZEZBLQGQ-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000736941259 598486732 /nfs/dbraw/zinc/48/67/32/598486732.db2.gz RKJNCKMUTQWEOG-JTQLQIEISA-N -1 3 397.347 2.480 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000736941259 598486734 /nfs/dbraw/zinc/48/67/34/598486734.db2.gz RKJNCKMUTQWEOG-JTQLQIEISA-N -1 3 397.347 2.480 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826401330 607359590 /nfs/dbraw/zinc/35/95/90/607359590.db2.gz VRXSHZGGJWSRJZ-RMKNXTFCSA-N -1 3 379.332 2.214 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826401330 607359593 /nfs/dbraw/zinc/35/95/93/607359593.db2.gz VRXSHZGGJWSRJZ-RMKNXTFCSA-N -1 3 379.332 2.214 20 5 GEBDHM O=C(CC1CCCC1)NC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737811327 598556994 /nfs/dbraw/zinc/55/69/94/598556994.db2.gz AAHDNQNUACJATH-UHFFFAOYSA-N -1 3 399.455 2.440 20 5 GEBDHM O=C(CC1CCCC1)NC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737811327 598556996 /nfs/dbraw/zinc/55/69/96/598556996.db2.gz AAHDNQNUACJATH-UHFFFAOYSA-N -1 3 399.455 2.440 20 5 GEBDHM O=C(C1CCC1)N(CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000737781376 598558983 /nfs/dbraw/zinc/55/89/83/598558983.db2.gz AKAXGZIEAUFECU-UHFFFAOYSA-N -1 3 385.428 2.368 20 5 GEBDHM O=C(C1CCC1)N(CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000737781376 598558984 /nfs/dbraw/zinc/55/89/84/598558984.db2.gz AKAXGZIEAUFECU-UHFFFAOYSA-N -1 3 385.428 2.368 20 5 GEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738232512 598575533 /nfs/dbraw/zinc/57/55/33/598575533.db2.gz KLPDYAPUXQOQRQ-KRWDZBQOSA-N -1 3 394.391 2.487 20 5 GEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738113256 598579176 /nfs/dbraw/zinc/57/91/76/598579176.db2.gz XXVCSCXPAMMJJT-QGZVFWFLSA-N -1 3 393.407 2.060 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738165301 598586727 /nfs/dbraw/zinc/58/67/27/598586727.db2.gz JGTKWCHZLSMCDO-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738165301 598586729 /nfs/dbraw/zinc/58/67/29/598586729.db2.gz JGTKWCHZLSMCDO-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1SC ZINC000737052287 598662674 /nfs/dbraw/zinc/66/26/74/598662674.db2.gz QMLSUMQUWGUPLP-UHFFFAOYSA-N -1 3 387.381 2.153 20 5 GEBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1SC ZINC000737052287 598662676 /nfs/dbraw/zinc/66/26/76/598662676.db2.gz QMLSUMQUWGUPLP-UHFFFAOYSA-N -1 3 387.381 2.153 20 5 GEBDHM Cc1cc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nc(C)n1 ZINC000737271008 598672424 /nfs/dbraw/zinc/67/24/24/598672424.db2.gz HRHHMJZSDGOBIW-AWEZNQCLSA-N -1 3 395.427 2.263 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000738368671 598681460 /nfs/dbraw/zinc/68/14/60/598681460.db2.gz HZLCSCNMXQANNV-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000738368671 598681461 /nfs/dbraw/zinc/68/14/61/598681461.db2.gz HZLCSCNMXQANNV-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM COC(=O)c1cc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000736950759 598755853 /nfs/dbraw/zinc/75/58/53/598755853.db2.gz NCPAOEOAFHPRNU-UHFFFAOYSA-N -1 3 386.280 2.262 20 5 GEBDHM COC(=O)c1cc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000736950759 598755854 /nfs/dbraw/zinc/75/58/54/598755854.db2.gz NCPAOEOAFHPRNU-UHFFFAOYSA-N -1 3 386.280 2.262 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000738196210 598806741 /nfs/dbraw/zinc/80/67/41/598806741.db2.gz SYYRUNPXALCRSL-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM CCN1C[C@H](CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000821239303 599315086 /nfs/dbraw/zinc/31/50/86/599315086.db2.gz AKBWMMFAGMDNTJ-AWEZNQCLSA-N -1 3 395.423 2.499 20 5 GEBDHM CCN1C[C@H](CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000821239303 599315089 /nfs/dbraw/zinc/31/50/89/599315089.db2.gz AKBWMMFAGMDNTJ-AWEZNQCLSA-N -1 3 395.423 2.499 20 5 GEBDHM C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365475 599438008 /nfs/dbraw/zinc/43/80/08/599438008.db2.gz JYHMUDGDYJHSII-GFCCVEGCSA-N -1 3 397.395 2.214 20 5 GEBDHM C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365475 599438010 /nfs/dbraw/zinc/43/80/10/599438010.db2.gz JYHMUDGDYJHSII-GFCCVEGCSA-N -1 3 397.395 2.214 20 5 GEBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CCO1 ZINC000736291606 599472123 /nfs/dbraw/zinc/47/21/23/599472123.db2.gz GGTSEDOZRSTSKS-LLVKDONJSA-N -1 3 382.384 2.139 20 5 GEBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)CCO1 ZINC000736291606 599472125 /nfs/dbraw/zinc/47/21/25/599472125.db2.gz GGTSEDOZRSTSKS-LLVKDONJSA-N -1 3 382.384 2.139 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCc3cn4c(n3)CCCC4)cc(-c3nnn[n-]3)c2c1 ZINC000823645939 599519648 /nfs/dbraw/zinc/51/96/48/599519648.db2.gz XBNMEPLLULSUMW-UHFFFAOYSA-N -1 3 391.395 2.468 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCc3cn4c(n3)CCCC4)cc(-c3nn[n-]n3)c2c1 ZINC000823645939 599519651 /nfs/dbraw/zinc/51/96/51/599519651.db2.gz XBNMEPLLULSUMW-UHFFFAOYSA-N -1 3 391.395 2.468 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822270864 599667492 /nfs/dbraw/zinc/66/74/92/599667492.db2.gz AWGGDGAULNSFHG-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822270864 599667493 /nfs/dbraw/zinc/66/74/93/599667493.db2.gz AWGGDGAULNSFHG-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737346843 599708647 /nfs/dbraw/zinc/70/86/47/599708647.db2.gz DHGYJBFCRUZGNF-DZFYGRHCSA-N -1 3 390.440 2.047 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000826253756 607408020 /nfs/dbraw/zinc/40/80/20/607408020.db2.gz CCOGCKBYFJHEOM-UHFFFAOYSA-N -1 3 397.347 2.212 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000826253756 607408022 /nfs/dbraw/zinc/40/80/22/607408022.db2.gz CCOGCKBYFJHEOM-UHFFFAOYSA-N -1 3 397.347 2.212 20 5 GEBDHM CN(CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000825892245 607416999 /nfs/dbraw/zinc/41/69/99/607416999.db2.gz IHFGRGPWVLWFER-UHFFFAOYSA-N -1 3 393.407 2.017 20 5 GEBDHM CN(CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000825892245 607417000 /nfs/dbraw/zinc/41/70/00/607417000.db2.gz IHFGRGPWVLWFER-UHFFFAOYSA-N -1 3 393.407 2.017 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826407967 607417846 /nfs/dbraw/zinc/41/78/46/607417846.db2.gz KHSRSVWEHJXOFZ-UHFFFAOYSA-N -1 3 394.391 2.349 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407967 607417848 /nfs/dbraw/zinc/41/78/48/607417848.db2.gz KHSRSVWEHJXOFZ-UHFFFAOYSA-N -1 3 394.391 2.349 20 5 GEBDHM C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000824976848 607449887 /nfs/dbraw/zinc/44/98/87/607449887.db2.gz PBQCVWVXFZUTDL-VXGBXAGGSA-N -1 3 375.433 2.075 20 5 GEBDHM O=C([O-])CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000515300713 601048140 /nfs/dbraw/zinc/04/81/40/601048140.db2.gz XOPWUDRSLULTFQ-UHFFFAOYSA-N -1 3 385.804 2.142 20 5 GEBDHM O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCN(Cc2ccccc2)C1 ZINC000833128505 601741319 /nfs/dbraw/zinc/74/13/19/601741319.db2.gz IGNUJLDSPGGMFB-FQEVSTJZSA-N -1 3 383.404 2.444 20 5 GEBDHM O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1sccc1-c1nnn[n-]1 ZINC000826409690 607524902 /nfs/dbraw/zinc/52/49/02/607524902.db2.gz KZOIOVUFJMCJPJ-UHFFFAOYSA-N -1 3 399.436 2.440 20 5 GEBDHM O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1sccc1-c1nn[n-]n1 ZINC000826409690 607524904 /nfs/dbraw/zinc/52/49/04/607524904.db2.gz KZOIOVUFJMCJPJ-UHFFFAOYSA-N -1 3 399.436 2.440 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824420500 607541715 /nfs/dbraw/zinc/54/17/15/607541715.db2.gz LOVKSNIMNBGHFO-JTQLQIEISA-N -1 3 377.405 2.348 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824420500 607541717 /nfs/dbraw/zinc/54/17/17/607541717.db2.gz LOVKSNIMNBGHFO-JTQLQIEISA-N -1 3 377.405 2.348 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([C@@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499355 607544122 /nfs/dbraw/zinc/54/41/22/607544122.db2.gz FSHBPDYXBNOTIX-VXGBXAGGSA-N -1 3 381.396 2.186 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([C@@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499355 607544123 /nfs/dbraw/zinc/54/41/23/607544123.db2.gz FSHBPDYXBNOTIX-VXGBXAGGSA-N -1 3 381.396 2.186 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2ccc(CN3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000826498722 607567786 /nfs/dbraw/zinc/56/77/86/607567786.db2.gz HCVFWMMSHKKTCS-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2ccc(CN3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000826498722 607567788 /nfs/dbraw/zinc/56/77/88/607567788.db2.gz HCVFWMMSHKKTCS-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c1-c1nnn[n-]1 ZINC000826272039 607580558 /nfs/dbraw/zinc/58/05/58/607580558.db2.gz RRFLKWRWQSPDBP-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826245578 607649381 /nfs/dbraw/zinc/64/93/81/607649381.db2.gz BTTQBSPKSPBPGN-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826245578 607649383 /nfs/dbraw/zinc/64/93/83/607649383.db2.gz BTTQBSPKSPBPGN-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829224057 603975318 /nfs/dbraw/zinc/97/53/18/603975318.db2.gz FTRGBNNFJPFSTG-OCCSQVGLSA-N -1 3 392.412 2.149 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823242168 606115247 /nfs/dbraw/zinc/11/52/47/606115247.db2.gz QOOZRPLKPGECLF-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823242168 606115249 /nfs/dbraw/zinc/11/52/49/606115249.db2.gz QOOZRPLKPGECLF-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000823108750 606145305 /nfs/dbraw/zinc/14/53/05/606145305.db2.gz REPNMAWOSHEKMG-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000823108750 606145308 /nfs/dbraw/zinc/14/53/08/606145308.db2.gz REPNMAWOSHEKMG-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM Cc1nc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000822437138 606215667 /nfs/dbraw/zinc/21/56/67/606215667.db2.gz WUWALOPBIWPTCX-CQSZACIVSA-N -1 3 393.367 2.356 20 5 GEBDHM Cc1nc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000822437138 606215669 /nfs/dbraw/zinc/21/56/69/606215669.db2.gz WUWALOPBIWPTCX-CQSZACIVSA-N -1 3 393.367 2.356 20 5 GEBDHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000821702923 606263395 /nfs/dbraw/zinc/26/33/95/606263395.db2.gz HFDIVYQUHPITCE-UHFFFAOYSA-N -1 3 388.315 2.184 20 5 GEBDHM COc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000821702923 606263397 /nfs/dbraw/zinc/26/33/97/606263397.db2.gz HFDIVYQUHPITCE-UHFFFAOYSA-N -1 3 388.315 2.184 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822212659 606336391 /nfs/dbraw/zinc/33/63/91/606336391.db2.gz AYTGBJFSDWABBT-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822212659 606336393 /nfs/dbraw/zinc/33/63/93/606336393.db2.gz AYTGBJFSDWABBT-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM COc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821798957 606350704 /nfs/dbraw/zinc/35/07/04/606350704.db2.gz VIMNAWUGVUTCLP-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM COc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821798957 606350706 /nfs/dbraw/zinc/35/07/06/606350706.db2.gz VIMNAWUGVUTCLP-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648760 606373681 /nfs/dbraw/zinc/37/36/81/606373681.db2.gz RRCGARASHMPPGX-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648760 606373684 /nfs/dbraw/zinc/37/36/84/606373684.db2.gz RRCGARASHMPPGX-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820507620 606567002 /nfs/dbraw/zinc/56/70/02/606567002.db2.gz IOKOUHOLZACMNA-QMMMGPOBSA-N -1 3 388.365 2.020 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820507620 606567004 /nfs/dbraw/zinc/56/70/04/606567004.db2.gz IOKOUHOLZACMNA-QMMMGPOBSA-N -1 3 388.365 2.020 20 5 GEBDHM Cc1ccc([C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000822230754 606644959 /nfs/dbraw/zinc/64/49/59/606644959.db2.gz PNIOMMCWPJOUOU-INIZCTEOSA-N -1 3 399.411 2.162 20 5 GEBDHM Cc1ccc([C@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000822230754 606644960 /nfs/dbraw/zinc/64/49/60/606644960.db2.gz PNIOMMCWPJOUOU-INIZCTEOSA-N -1 3 399.411 2.162 20 5 GEBDHM Cc1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1F ZINC000822226125 606645032 /nfs/dbraw/zinc/64/50/32/606645032.db2.gz DOKQAZXDJRVUIJ-UHFFFAOYSA-N -1 3 385.359 2.064 20 5 GEBDHM O=[N+]([O-])c1cc(NCc2ccccc2CN2CCOCC2)ccc1-c1nnn[n-]1 ZINC000823635247 606645311 /nfs/dbraw/zinc/64/53/11/606645311.db2.gz UIXXQUSMSSXCIE-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM O=[N+]([O-])c1cc(NCc2ccccc2CN2CCOCC2)ccc1-c1nn[n-]n1 ZINC000823635247 606645312 /nfs/dbraw/zinc/64/53/12/606645312.db2.gz UIXXQUSMSSXCIE-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM Cc1cccc(C)c1OC[C@H](O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822299568 606645744 /nfs/dbraw/zinc/64/57/44/606645744.db2.gz NGJHIJRIBLVRMK-CQSZACIVSA-N -1 3 384.396 2.244 20 5 GEBDHM C[C@@H](c1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1)N1CCOCC1 ZINC000820561902 606708053 /nfs/dbraw/zinc/70/80/53/606708053.db2.gz BIWDGGAEDMPXQS-LBPRGKRZSA-N -1 3 396.411 2.307 20 5 GEBDHM C[C@@H](c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1)N1CCOCC1 ZINC000820561902 606708054 /nfs/dbraw/zinc/70/80/54/606708054.db2.gz BIWDGGAEDMPXQS-LBPRGKRZSA-N -1 3 396.411 2.307 20 5 GEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823648028 606749428 /nfs/dbraw/zinc/74/94/28/606749428.db2.gz SADLBOPXAUHRFO-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823648028 606749430 /nfs/dbraw/zinc/74/94/30/606749430.db2.gz SADLBOPXAUHRFO-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823409608 606756285 /nfs/dbraw/zinc/75/62/85/606756285.db2.gz ISFNHJHQPHEYQT-UHFFFAOYSA-N -1 3 375.291 2.453 20 5 GEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823409608 606756287 /nfs/dbraw/zinc/75/62/87/606756287.db2.gz ISFNHJHQPHEYQT-UHFFFAOYSA-N -1 3 375.291 2.453 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640034 606876747 /nfs/dbraw/zinc/87/67/47/606876747.db2.gz QANPBADOENYMEZ-MAUKXSAKSA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640034 606876750 /nfs/dbraw/zinc/87/67/50/606876750.db2.gz QANPBADOENYMEZ-MAUKXSAKSA-N -1 3 396.407 2.104 20 5 GEBDHM COc1cc(OC)cc(OCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821728403 606880683 /nfs/dbraw/zinc/88/06/83/606880683.db2.gz VVRQHTQNVFJESR-UHFFFAOYSA-N -1 3 386.368 2.283 20 5 GEBDHM COc1cc(OC)cc(OCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821728403 606880684 /nfs/dbraw/zinc/88/06/84/606880684.db2.gz VVRQHTQNVFJESR-UHFFFAOYSA-N -1 3 386.368 2.283 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822271193 606886688 /nfs/dbraw/zinc/88/66/88/606886688.db2.gz PYTJRQBFKSGXTG-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822271193 606886689 /nfs/dbraw/zinc/88/66/89/606886689.db2.gz PYTJRQBFKSGXTG-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM COc1cc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])cc1F ZINC000821720795 606929439 /nfs/dbraw/zinc/92/94/39/606929439.db2.gz XOHUQNGPBRBIPZ-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1cc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])cc1F ZINC000821720795 606929441 /nfs/dbraw/zinc/92/94/41/606929441.db2.gz XOHUQNGPBRBIPZ-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000820001431 606997759 /nfs/dbraw/zinc/99/77/59/606997759.db2.gz MGGTXSKUQHAUOI-UHFFFAOYSA-N -1 3 382.380 2.249 20 5 GEBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000820001431 606997761 /nfs/dbraw/zinc/99/77/61/606997761.db2.gz MGGTXSKUQHAUOI-UHFFFAOYSA-N -1 3 382.380 2.249 20 5 GEBDHM COc1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCO2)c1 ZINC000821862402 607039581 /nfs/dbraw/zinc/03/95/81/607039581.db2.gz ATBSZFZDSDOZFX-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCO2)c1 ZINC000821862402 607039582 /nfs/dbraw/zinc/03/95/82/607039582.db2.gz ATBSZFZDSDOZFX-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000821863718 607040189 /nfs/dbraw/zinc/04/01/89/607040189.db2.gz NJRKWKMSYWNKFW-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000821863718 607040190 /nfs/dbraw/zinc/04/01/90/607040190.db2.gz NJRKWKMSYWNKFW-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM CCS[C@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821446921 607042853 /nfs/dbraw/zinc/04/28/53/607042853.db2.gz FXRJUWXUTVXWMQ-MRVPVSSYSA-N -1 3 391.417 2.003 20 5 GEBDHM CCS[C@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821446921 607042854 /nfs/dbraw/zinc/04/28/54/607042854.db2.gz FXRJUWXUTVXWMQ-MRVPVSSYSA-N -1 3 391.417 2.003 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000822222703 607049694 /nfs/dbraw/zinc/04/96/94/607049694.db2.gz QLLDESKISJWBDX-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000822222703 607049695 /nfs/dbraw/zinc/04/96/95/607049695.db2.gz QLLDESKISJWBDX-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000820280929 607166828 /nfs/dbraw/zinc/16/68/28/607166828.db2.gz PNTULIMLZXPEJR-SNVBAGLBSA-N -1 3 386.441 2.090 20 5 GEBDHM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000820280929 607166830 /nfs/dbraw/zinc/16/68/30/607166830.db2.gz PNTULIMLZXPEJR-SNVBAGLBSA-N -1 3 386.441 2.090 20 5 GEBDHM Cc1nc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)sc1C ZINC000826326770 607820356 /nfs/dbraw/zinc/82/03/56/607820356.db2.gz CZMYWENGSKPJSM-UHFFFAOYSA-N -1 3 386.441 2.175 20 5 GEBDHM Cc1nc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)sc1C ZINC000826326770 607820357 /nfs/dbraw/zinc/82/03/57/607820357.db2.gz CZMYWENGSKPJSM-UHFFFAOYSA-N -1 3 386.441 2.175 20 5 GEBDHM CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999256 607846882 /nfs/dbraw/zinc/84/68/82/607846882.db2.gz TXGWQODDEKWRHU-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM CCc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000825717733 607877089 /nfs/dbraw/zinc/87/70/89/607877089.db2.gz OXVIVLMDAVGFIE-AWEZNQCLSA-N -1 3 385.380 2.156 20 5 GEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000825971411 607981143 /nfs/dbraw/zinc/98/11/43/607981143.db2.gz FTXGSVHKLOSAGT-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000825971411 607981144 /nfs/dbraw/zinc/98/11/44/607981144.db2.gz FTXGSVHKLOSAGT-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2ccccn21 ZINC000826497557 608052987 /nfs/dbraw/zinc/05/29/87/608052987.db2.gz LEQYQSYAZFRJEA-AWEZNQCLSA-N -1 3 392.379 2.001 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2ccccn21 ZINC000826497557 608052988 /nfs/dbraw/zinc/05/29/88/608052988.db2.gz LEQYQSYAZFRJEA-AWEZNQCLSA-N -1 3 392.379 2.001 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826272458 608084711 /nfs/dbraw/zinc/08/47/11/608084711.db2.gz KQQBFQROUGXKPR-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826272458 608084712 /nfs/dbraw/zinc/08/47/12/608084712.db2.gz KQQBFQROUGXKPR-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826293700 608084878 /nfs/dbraw/zinc/08/48/78/608084878.db2.gz YURJFYBDDBVQQG-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826293700 608084879 /nfs/dbraw/zinc/08/48/79/608084879.db2.gz YURJFYBDDBVQQG-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000826501065 608099299 /nfs/dbraw/zinc/09/92/99/608099299.db2.gz YAICMSSUGKQTQY-NSHDSACASA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000826501065 608099300 /nfs/dbraw/zinc/09/93/00/608099300.db2.gz YAICMSSUGKQTQY-NSHDSACASA-N -1 3 384.375 2.390 20 5 GEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826465118 608118574 /nfs/dbraw/zinc/11/85/74/608118574.db2.gz ZMADMAORTRZTJH-UHFFFAOYSA-N -1 3 391.347 2.318 20 5 GEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826465118 608118575 /nfs/dbraw/zinc/11/85/75/608118575.db2.gz ZMADMAORTRZTJH-UHFFFAOYSA-N -1 3 391.347 2.318 20 5 GEBDHM CN(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000825875749 608162827 /nfs/dbraw/zinc/16/28/27/608162827.db2.gz XIJDFMSDDDOEOP-UHFFFAOYSA-N -1 3 388.775 2.142 20 5 GEBDHM CN(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000825875749 608162829 /nfs/dbraw/zinc/16/28/29/608162829.db2.gz XIJDFMSDDDOEOP-UHFFFAOYSA-N -1 3 388.775 2.142 20 5 GEBDHM CN(C)c1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccn1 ZINC000825875639 608163063 /nfs/dbraw/zinc/16/30/63/608163063.db2.gz UFRDIUJMFNGGII-UHFFFAOYSA-N -1 3 388.775 2.142 20 5 GEBDHM CN(C)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccn1 ZINC000825875639 608163064 /nfs/dbraw/zinc/16/30/64/608163064.db2.gz UFRDIUJMFNGGII-UHFFFAOYSA-N -1 3 388.775 2.142 20 5 GEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000825971501 608213118 /nfs/dbraw/zinc/21/31/18/608213118.db2.gz JHSDEKZDTGHIEY-UHFFFAOYSA-N -1 3 396.392 2.052 20 5 GEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000825971501 608213120 /nfs/dbraw/zinc/21/31/20/608213120.db2.gz JHSDEKZDTGHIEY-UHFFFAOYSA-N -1 3 396.392 2.052 20 5 GEBDHM Nc1nc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000826396087 608295475 /nfs/dbraw/zinc/29/54/75/608295475.db2.gz GJDAQXCNGOMYNJ-UHFFFAOYSA-N -1 3 389.379 2.426 20 5 GEBDHM Nc1nc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000826396087 608295476 /nfs/dbraw/zinc/29/54/76/608295476.db2.gz GJDAQXCNGOMYNJ-UHFFFAOYSA-N -1 3 389.379 2.426 20 5 GEBDHM Cc1ccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000826291960 608340690 /nfs/dbraw/zinc/34/06/90/608340690.db2.gz CLPOQNZIJGGHPO-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1ccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000826291960 608340692 /nfs/dbraw/zinc/34/06/92/608340692.db2.gz CLPOQNZIJGGHPO-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000826171848 608347417 /nfs/dbraw/zinc/34/74/17/608347417.db2.gz ARENKHBHKHGSLL-UHFFFAOYSA-N -1 3 398.379 2.207 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000826171848 608347419 /nfs/dbraw/zinc/34/74/19/608347419.db2.gz ARENKHBHKHGSLL-UHFFFAOYSA-N -1 3 398.379 2.207 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1[N+](=O)[O-] ZINC000826172316 608351095 /nfs/dbraw/zinc/35/10/95/608351095.db2.gz ZAZRCBPKZFRCLC-UHFFFAOYSA-N -1 3 399.363 2.078 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1[N+](=O)[O-] ZINC000826172316 608351096 /nfs/dbraw/zinc/35/10/96/608351096.db2.gz ZAZRCBPKZFRCLC-UHFFFAOYSA-N -1 3 399.363 2.078 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3c4ccccc4C[C@@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000823645234 608367269 /nfs/dbraw/zinc/36/72/69/608367269.db2.gz QEOSBJQIEMFPAB-FUHWJXTLSA-N -1 3 389.375 2.393 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3c4ccccc4C[C@@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000823645234 608367271 /nfs/dbraw/zinc/36/72/71/608367271.db2.gz QEOSBJQIEMFPAB-FUHWJXTLSA-N -1 3 389.375 2.393 20 5 GEBDHM O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826425455 608402958 /nfs/dbraw/zinc/40/29/58/608402958.db2.gz FESTVCMCSRWKBF-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826425455 608402961 /nfs/dbraw/zinc/40/29/61/608402961.db2.gz FESTVCMCSRWKBF-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM Cc1cc([N+](=O)[O-])cnc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826272355 608410328 /nfs/dbraw/zinc/41/03/28/608410328.db2.gz FPILRDQMNLDJOR-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cc1cc([N+](=O)[O-])cnc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826272355 608410329 /nfs/dbraw/zinc/41/03/29/608410329.db2.gz FPILRDQMNLDJOR-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000824499923 608417816 /nfs/dbraw/zinc/41/78/16/608417816.db2.gz SQDKRTIVUVTBFB-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000824499923 608417818 /nfs/dbraw/zinc/41/78/18/608417818.db2.gz SQDKRTIVUVTBFB-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826466066 608444036 /nfs/dbraw/zinc/44/40/36/608444036.db2.gz OADSUNQOZKIYFJ-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826466066 608444038 /nfs/dbraw/zinc/44/40/38/608444038.db2.gz OADSUNQOZKIYFJ-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM CN(CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1[N+](=O)[O-] ZINC000825897943 608449507 /nfs/dbraw/zinc/44/95/07/608449507.db2.gz RVHIXQXSVOCEEI-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM CN(CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1[N+](=O)[O-] ZINC000825897943 608449509 /nfs/dbraw/zinc/44/95/09/608449509.db2.gz RVHIXQXSVOCEEI-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826498953 608585398 /nfs/dbraw/zinc/58/53/98/608585398.db2.gz PSNQJNZYNWFHAV-UHFFFAOYSA-N -1 3 395.423 2.193 20 5 GEBDHM CC[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134614 609244515 /nfs/dbraw/zinc/24/45/15/609244515.db2.gz VNVBKAWMJJAYOH-JKSUJKDBSA-N -1 3 382.380 2.076 20 5 GEBDHM CC[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134614 609244517 /nfs/dbraw/zinc/24/45/17/609244517.db2.gz VNVBKAWMJJAYOH-JKSUJKDBSA-N -1 3 382.380 2.076 20 5 GEBDHM Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826296065 609283342 /nfs/dbraw/zinc/28/33/42/609283342.db2.gz IGXMYYIALUJOGS-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826296065 609283343 /nfs/dbraw/zinc/28/33/43/609283343.db2.gz IGXMYYIALUJOGS-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM COc1cc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826180157 609420815 /nfs/dbraw/zinc/42/08/15/609420815.db2.gz UZURIFADYBIRHB-UHFFFAOYSA-N -1 3 392.379 2.399 20 5 GEBDHM COc1cc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826180157 609420817 /nfs/dbraw/zinc/42/08/17/609420817.db2.gz UZURIFADYBIRHB-UHFFFAOYSA-N -1 3 392.379 2.399 20 5 GEBDHM O=C1[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477858 609428631 /nfs/dbraw/zinc/42/86/31/609428631.db2.gz NMJSLNUTDQMNLB-HNNXBMFYSA-N -1 3 398.354 2.488 20 5 GEBDHM O=C1[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477858 609428632 /nfs/dbraw/zinc/42/86/32/609428632.db2.gz NMJSLNUTDQMNLB-HNNXBMFYSA-N -1 3 398.354 2.488 20 5 GEBDHM O=C1[C@H](Oc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477676 609428665 /nfs/dbraw/zinc/42/86/65/609428665.db2.gz IXZLXYHMXKHHDR-MRXNPFEDSA-N -1 3 380.364 2.349 20 5 GEBDHM O=C1[C@H](Oc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477676 609428666 /nfs/dbraw/zinc/42/86/66/609428666.db2.gz IXZLXYHMXKHHDR-MRXNPFEDSA-N -1 3 380.364 2.349 20 5 GEBDHM COc1cc(CCNc2nccc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000826178565 609524281 /nfs/dbraw/zinc/52/42/81/609524281.db2.gz CWOAGWWPKPSFBO-UHFFFAOYSA-N -1 3 385.384 2.150 20 5 GEBDHM COc1cc(CCNc2nccc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000826178565 609524283 /nfs/dbraw/zinc/52/42/83/609524283.db2.gz CWOAGWWPKPSFBO-UHFFFAOYSA-N -1 3 385.384 2.150 20 5 GEBDHM Cc1cnc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826319272 609574796 /nfs/dbraw/zinc/57/47/96/609574796.db2.gz WAMLVAKRSINCCQ-AWEZNQCLSA-N -1 3 394.395 2.086 20 5 GEBDHM Cc1cnc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826319272 609574798 /nfs/dbraw/zinc/57/47/98/609574798.db2.gz WAMLVAKRSINCCQ-AWEZNQCLSA-N -1 3 394.395 2.086 20 5 GEBDHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc([N+](=O)[O-])c1C ZINC000451073790 650083842 /nfs/dbraw/zinc/08/38/42/650083842.db2.gz SXMJOUWZYFSMEN-SECBINFHSA-N -1 3 380.369 2.402 20 5 GEBDHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451974930 650159829 /nfs/dbraw/zinc/15/98/29/650159829.db2.gz JTCMTFRJFLGTIJ-WDEREUQCSA-N -1 3 381.248 2.185 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(Br)c1 ZINC000452013013 650165900 /nfs/dbraw/zinc/16/59/00/650165900.db2.gz GHAHVXRKOMBJHY-SNVBAGLBSA-N -1 3 393.259 2.452 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc([N+](=O)[O-])c1 ZINC000505131122 650435275 /nfs/dbraw/zinc/43/52/75/650435275.db2.gz XDVJNINZSWFAHW-UHFFFAOYSA-N -1 3 375.815 2.227 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2F)c(Br)c1 ZINC000481967463 650656918 /nfs/dbraw/zinc/65/69/18/650656918.db2.gz YPFKBSLBQYTDPS-UHFFFAOYSA-N -1 3 376.163 2.114 20 5 GEBDHM O=C([N-]c1cc(S(=O)(=O)N2CCCC2)ccn1)c1ccc([N+](=O)[O-])s1 ZINC000482117212 650660311 /nfs/dbraw/zinc/66/03/11/650660311.db2.gz ZPEDRUPGJITEAF-UHFFFAOYSA-N -1 3 382.423 2.088 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cn3ccnc3)c2)s1 ZINC000066000207 642893990 /nfs/dbraw/zinc/89/39/90/642893990.db2.gz RMJGGVNZRIJWCK-UHFFFAOYSA-N -1 3 378.435 2.380 20 5 GEBDHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)N(C)C)c1 ZINC000066327379 642908748 /nfs/dbraw/zinc/90/87/48/642908748.db2.gz VMDBGAWXAMJMOT-CYBMUJFWSA-N -1 3 385.467 2.246 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C2CC2)c(Br)c1 ZINC000536330241 650800264 /nfs/dbraw/zinc/80/02/64/650800264.db2.gz RNCUPTIZBOGWRO-AAEUAGOBSA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C[C@H](C)O ZINC000120747453 643623589 /nfs/dbraw/zinc/62/35/89/643623589.db2.gz TVFMULMLSISIEP-BDAKNGLRSA-N -1 3 381.248 2.043 20 5 GEBDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121687835 643637931 /nfs/dbraw/zinc/63/79/31/643637931.db2.gz HIBMENLTQWXHFZ-UHFFFAOYSA-N -1 3 395.275 2.434 20 5 GEBDHM Cc1ccc(Br)cc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000125516282 643708355 /nfs/dbraw/zinc/70/83/55/643708355.db2.gz WDVLCZDILWXQRN-UHFFFAOYSA-N -1 3 387.215 2.366 20 5 GEBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000128765392 643810644 /nfs/dbraw/zinc/81/06/44/643810644.db2.gz YFZAOGDRVCCVAR-VIFPVBQESA-N -1 3 395.275 2.433 20 5 GEBDHM C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC000156137411 644085400 /nfs/dbraw/zinc/08/54/00/644085400.db2.gz JCEQAOLWIMAOFV-GFCCVEGCSA-N -1 3 379.232 2.205 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN(c2ccccn2)C1 ZINC000159302289 644186106 /nfs/dbraw/zinc/18/61/06/644186106.db2.gz AMKGGEFWXIARJK-LBPRGKRZSA-N -1 3 382.829 2.200 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCc3ccccc32)c(Cl)c1 ZINC000162154079 644232551 /nfs/dbraw/zinc/23/25/51/644232551.db2.gz ZTGDLTTUBCDPNU-INIZCTEOSA-N -1 3 382.825 2.361 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c(Cl)c1 ZINC000277553389 646440663 /nfs/dbraw/zinc/44/06/63/646440663.db2.gz ZGLIVJQATXNHOV-UHFFFAOYSA-N -1 3 394.730 2.444 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000396919031 647897436 /nfs/dbraw/zinc/89/74/36/647897436.db2.gz WZPPPRPTEUYDOT-MRVPVSSYSA-N -1 3 384.332 2.248 20 5 GEBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416577346 648175038 /nfs/dbraw/zinc/17/50/38/648175038.db2.gz FQDXKEOTRDIEJO-SECBINFHSA-N -1 3 381.248 2.308 20 5 GEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000416667229 648206822 /nfs/dbraw/zinc/20/68/22/648206822.db2.gz POIFJICMOIFORH-UHFFFAOYSA-N -1 3 392.861 2.094 20 5 GEBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000746400660 652104348 /nfs/dbraw/zinc/10/43/48/652104348.db2.gz VIJBTIGUICBTFW-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000746400660 652104361 /nfs/dbraw/zinc/10/43/61/652104361.db2.gz VIJBTIGUICBTFW-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1(C)C ZINC000753375692 652405785 /nfs/dbraw/zinc/40/57/85/652405785.db2.gz BGGGXKDKNSYPAR-RYUDHWBXSA-N -1 3 393.259 2.449 20 5 GEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c(C)o1 ZINC000761193773 652636647 /nfs/dbraw/zinc/63/66/47/652636647.db2.gz XSSYUFLOSDACKS-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000771472970 653112410 /nfs/dbraw/zinc/11/24/10/653112410.db2.gz MECLOMPCIUEDTH-UHFFFAOYSA-N -1 3 381.248 2.185 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c1 ZINC000810115338 653326653 /nfs/dbraw/zinc/32/66/53/653326653.db2.gz WEGRIJRUWLIAPR-LBPRGKRZSA-N -1 3 393.259 2.187 20 5 GEBDHM CSc1cccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c1[N+](=O)[O-] ZINC000777075249 653386240 /nfs/dbraw/zinc/38/62/40/653386240.db2.gz UBLBUULPHRVIBZ-UHFFFAOYSA-N -1 3 380.403 2.492 20 5 GEBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000778088869 653425287 /nfs/dbraw/zinc/42/52/87/653425287.db2.gz YBMDAVHRRMLYTC-GFCCVEGCSA-N -1 3 378.834 2.255 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC000859354237 653448413 /nfs/dbraw/zinc/44/84/13/653448413.db2.gz ULPPPZCITPYUBL-UHFFFAOYSA-N -1 3 391.243 2.395 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCC2(O)CCC2)c1 ZINC000817147443 653704114 /nfs/dbraw/zinc/70/41/14/653704114.db2.gz ZQNSHKKHLSCNLV-UHFFFAOYSA-N -1 3 393.259 2.331 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC(F)(F)F)ccc1Br ZINC000788915278 653766301 /nfs/dbraw/zinc/76/63/01/653766301.db2.gz BXPWXFBJUBYBKL-UHFFFAOYSA-N -1 3 393.137 2.172 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC2(CO)CCC2)c1 ZINC000846017727 653880946 /nfs/dbraw/zinc/88/09/46/653880946.db2.gz ANTUXAJBNXGQJT-UHFFFAOYSA-N -1 3 393.259 2.188 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H](CO)CC2CCC2)c1 ZINC000795278882 653942389 /nfs/dbraw/zinc/94/23/89/653942389.db2.gz URKMTSKVRYOPHW-JTQLQIEISA-N -1 3 393.259 2.187 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000848478357 653980358 /nfs/dbraw/zinc/98/03/58/653980358.db2.gz KYBKUKMMWIPYCI-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796107660 653986657 /nfs/dbraw/zinc/98/66/57/653986657.db2.gz MQFDLHOUWAWYLK-XVKPBYJWSA-N -1 3 381.273 2.387 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c(Br)c1 ZINC000849447624 654037617 /nfs/dbraw/zinc/03/76/17/654037617.db2.gz LMKDVYGPUGMMLH-SECBINFHSA-N -1 3 391.243 2.347 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)cc1C ZINC000849458129 654039670 /nfs/dbraw/zinc/03/96/70/654039670.db2.gz BYUYEQBWRUKIPV-KGLIPLIRSA-N -1 3 376.381 2.304 20 5 GEBDHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800929764 654168292 /nfs/dbraw/zinc/16/82/92/654168292.db2.gz OSKJEAHLGKZXKU-UHFFFAOYSA-N -1 3 388.398 2.328 20 5 GEBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831728960 654204176 /nfs/dbraw/zinc/20/41/76/654204176.db2.gz LDEMDHRPHFUXKH-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000832130500 654237954 /nfs/dbraw/zinc/23/79/54/654237954.db2.gz YZTGUAXBPAEQNV-LBPRGKRZSA-N -1 3 381.248 2.451 20 5 GEBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)co1 ZINC000832479206 654268895 /nfs/dbraw/zinc/26/88/95/654268895.db2.gz ZVFHPQGXZROOGK-UHFFFAOYSA-N -1 3 390.215 2.386 20 5 GEBDHM O=C([O-])[C@]12CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000903904920 654291599 /nfs/dbraw/zinc/29/15/99/654291599.db2.gz PZAGKIZYZJKHCK-ZUZCIYMTSA-N -1 3 385.214 2.280 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)c1 ZINC000921861532 654334503 /nfs/dbraw/zinc/33/45/03/654334503.db2.gz KBGSERLMJCBKGP-ZWNOBZJWSA-N -1 3 382.360 2.457 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)c1C ZINC000921863268 654335285 /nfs/dbraw/zinc/33/52/85/654335285.db2.gz VXRCAJAZECVHIL-MFKMUULPSA-N -1 3 382.360 2.457 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C2CC2)c(Br)c1 ZINC000908412758 654627748 /nfs/dbraw/zinc/62/77/48/654627748.db2.gz VPEBMNYLWMWIES-ZYHUDNBSSA-N -1 3 391.243 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c(C(F)(F)F)c1 ZINC000152249435 531538443 /nfs/dbraw/zinc/53/84/43/531538443.db2.gz DYPBWCOEHTYTRB-AOOOYVTPSA-N -1 3 382.360 2.443 20 5 GEBDHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171421884 531906478 /nfs/dbraw/zinc/90/64/78/531906478.db2.gz HZZZSEYRKJTCGZ-NSHDSACASA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000129157839 532173672 /nfs/dbraw/zinc/17/36/72/532173672.db2.gz BBTCEVZDTGYDKF-UWVGGRQHSA-N -1 3 375.472 2.261 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2ccnc2)c(C(F)(F)F)c1 ZINC000179586288 532237070 /nfs/dbraw/zinc/23/70/70/532237070.db2.gz DNEIMFLMWWUWJQ-UHFFFAOYSA-N -1 3 378.332 2.179 20 5 GEBDHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000278034792 532371798 /nfs/dbraw/zinc/37/17/98/532371798.db2.gz XEAJGUOBQZFNFV-LDYMZIIASA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000295246228 532425599 /nfs/dbraw/zinc/42/55/99/532425599.db2.gz JXUISMFWFGQARB-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)oc1C ZINC000466544873 532430424 /nfs/dbraw/zinc/43/04/24/532430424.db2.gz LVHFFEZPIOCOMC-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000467077988 532438406 /nfs/dbraw/zinc/43/84/06/532438406.db2.gz FAXBNCUGPVZXJA-NSHDSACASA-N -1 3 384.435 2.255 20 5 GEBDHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467392770 532445480 /nfs/dbraw/zinc/44/54/80/532445480.db2.gz HVKJQUBQSOQKKL-UHFFFAOYSA-N -1 3 384.435 2.272 20 5 GEBDHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000295535751 532455911 /nfs/dbraw/zinc/45/59/11/532455911.db2.gz QTRVEZDDRBOANQ-MRVPVSSYSA-N -1 3 381.248 2.185 20 5 GEBDHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000295559525 532459461 /nfs/dbraw/zinc/45/94/61/532459461.db2.gz SZLTVBRXOJAAEW-QMMMGPOBSA-N -1 3 381.248 2.185 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000282359678 532459991 /nfs/dbraw/zinc/45/99/91/532459991.db2.gz PRLWQDZJENWSRX-UHFFFAOYSA-N -1 3 387.849 2.382 20 5 GEBDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000594702488 532521217 /nfs/dbraw/zinc/52/12/17/532521217.db2.gz YZAITEHEKMXEKR-NSHDSACASA-N -1 3 384.332 2.066 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000435630053 532622721 /nfs/dbraw/zinc/62/27/21/532622721.db2.gz ZDSXNGXYFYOAMR-NEPJUHHUSA-N -1 3 387.483 2.034 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599459443 532660210 /nfs/dbraw/zinc/66/02/10/532660210.db2.gz JYDQPVBIHXAJKA-VXFNFUGZSA-N -1 3 393.259 2.448 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000599473141 532662134 /nfs/dbraw/zinc/66/21/34/532662134.db2.gz YBKOVUNIZOBOOA-UHFFFAOYSA-N -1 3 391.243 2.395 20 5 GEBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000285682109 532697269 /nfs/dbraw/zinc/69/72/69/532697269.db2.gz RBXMVVRWTIGWQB-UWVGGRQHSA-N -1 3 393.259 2.308 20 5 GEBDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1(C)C ZINC000440392676 532712215 /nfs/dbraw/zinc/71/22/15/532712215.db2.gz RZPYHUZOEWWORL-VXGBXAGGSA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509403733 532768374 /nfs/dbraw/zinc/76/83/74/532768374.db2.gz OEUKNMNGVRHVDS-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451796323 532770508 /nfs/dbraw/zinc/77/05/08/532770508.db2.gz LHTGQPFWWXALGI-GFCCVEGCSA-N -1 3 381.248 2.451 20 5 GEBDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000510485976 532774004 /nfs/dbraw/zinc/77/40/04/532774004.db2.gz SUOSINFLAYZWCP-NXEZZACHSA-N -1 3 393.259 2.308 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000327967737 532792938 /nfs/dbraw/zinc/79/29/38/532792938.db2.gz NGQUBDMZUOPNDO-SNVBAGLBSA-N -1 3 384.435 2.352 20 5 GEBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273601820 532827485 /nfs/dbraw/zinc/82/74/85/532827485.db2.gz RTDGTPXDZYSRMX-STQMWFEESA-N -1 3 388.467 2.334 20 5 GEBDHM CN1CCN(C2(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CCCCCC2)CC1 ZINC000359961855 206273591 /nfs/dbraw/zinc/27/35/91/206273591.db2.gz TZOLLDFBEFHIGB-UHFFFAOYSA-N -1 3 390.484 2.371 20 5 GEBDHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000274420440 532850175 /nfs/dbraw/zinc/85/01/75/532850175.db2.gz YCFRRHLNXTYYJB-UHFFFAOYSA-N -1 3 379.232 2.251 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c(Br)c1 ZINC000275233934 532869210 /nfs/dbraw/zinc/86/92/10/532869210.db2.gz WCSHSFQYQAOTCR-SKDRFNHKSA-N -1 3 393.259 2.187 20 5 GEBDHM CCc1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000416365312 532872047 /nfs/dbraw/zinc/87/20/47/532872047.db2.gz ASJYFJPDXGJBMG-UHFFFAOYSA-N -1 3 384.435 2.484 20 5 GEBDHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416375187 532873014 /nfs/dbraw/zinc/87/30/14/532873014.db2.gz RGUOXMVWSIGWDG-VIFPVBQESA-N -1 3 378.332 2.177 20 5 GEBDHM COC(=O)CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416395838 532875791 /nfs/dbraw/zinc/87/57/91/532875791.db2.gz XVKWVVCBNOYLOI-UHFFFAOYSA-N -1 3 384.332 2.235 20 5 GEBDHM CSCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416434938 532877235 /nfs/dbraw/zinc/87/72/35/532877235.db2.gz XLPQKCDERRAMFZ-VIFPVBQESA-N -1 3 388.389 2.006 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000737031698 598937651 /nfs/dbraw/zinc/93/76/51/598937651.db2.gz DSVFLQRAHYJQJU-UHFFFAOYSA-N -1 3 385.336 2.054 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000737031698 598937653 /nfs/dbraw/zinc/93/76/53/598937653.db2.gz DSVFLQRAHYJQJU-UHFFFAOYSA-N -1 3 385.336 2.054 20 5 GEBDHM Cc1c(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cccc1-c1nnn[n-]1 ZINC000822116362 607257193 /nfs/dbraw/zinc/25/71/93/607257193.db2.gz QCIZOFMAWOWMKR-INIZCTEOSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1c(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cccc1-c1nn[n-]n1 ZINC000822116362 607257194 /nfs/dbraw/zinc/25/71/94/607257194.db2.gz QCIZOFMAWOWMKR-INIZCTEOSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737323761 599042175 /nfs/dbraw/zinc/04/21/75/599042175.db2.gz WRESDRXKAFEEAI-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737323761 599042178 /nfs/dbraw/zinc/04/21/78/599042178.db2.gz WRESDRXKAFEEAI-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823551357 599074080 /nfs/dbraw/zinc/07/40/80/599074080.db2.gz NUFUSFQTVUDJNR-UHFFFAOYSA-N -1 3 399.342 2.483 20 5 GEBDHM O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823551357 599074082 /nfs/dbraw/zinc/07/40/82/599074082.db2.gz NUFUSFQTVUDJNR-UHFFFAOYSA-N -1 3 399.342 2.483 20 5 GEBDHM COc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1N1CCOC1=O ZINC000821838052 599106981 /nfs/dbraw/zinc/10/69/81/599106981.db2.gz JXJIGYCMNJXQSB-UHFFFAOYSA-N -1 3 397.351 2.484 20 5 GEBDHM COc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1N1CCOC1=O ZINC000821838052 599106986 /nfs/dbraw/zinc/10/69/86/599106986.db2.gz JXJIGYCMNJXQSB-UHFFFAOYSA-N -1 3 397.351 2.484 20 5 GEBDHM COc1ccc(OCCOC(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000737110602 599150946 /nfs/dbraw/zinc/15/09/46/599150946.db2.gz AXALPGNUNZHXCA-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COc1ccc(OCCOC(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000737110602 599150949 /nfs/dbraw/zinc/15/09/49/599150949.db2.gz AXALPGNUNZHXCA-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM O=Cc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c([N+](=O)[O-])c1 ZINC000738314189 599160332 /nfs/dbraw/zinc/16/03/32/599160332.db2.gz SJTYASVZFDIGRB-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=Cc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c([N+](=O)[O-])c1 ZINC000738314189 599160335 /nfs/dbraw/zinc/16/03/35/599160335.db2.gz SJTYASVZFDIGRB-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823237762 599182495 /nfs/dbraw/zinc/18/24/95/599182495.db2.gz AWSIHQCGOKEWDH-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823237762 599182496 /nfs/dbraw/zinc/18/24/96/599182496.db2.gz AWSIHQCGOKEWDH-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM CC(C)c1nncn1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820211093 607326950 /nfs/dbraw/zinc/32/69/50/607326950.db2.gz COWUNXFDVIATHX-UHFFFAOYSA-N -1 3 394.399 2.150 20 5 GEBDHM CC(C)c1nncn1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820211093 607326951 /nfs/dbraw/zinc/32/69/51/607326951.db2.gz COWUNXFDVIATHX-UHFFFAOYSA-N -1 3 394.399 2.150 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)s1 ZINC000738370214 598245734 /nfs/dbraw/zinc/24/57/34/598245734.db2.gz OEGFSFKPDXFSMD-UHFFFAOYSA-N -1 3 375.389 2.302 20 5 GEBDHM COc1cccc(N2C[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2=O)c1 ZINC000737140938 598248114 /nfs/dbraw/zinc/24/81/14/598248114.db2.gz UFOSCVDFYYUNRM-GFCCVEGCSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1cccc(N2C[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2=O)c1 ZINC000737140938 598248115 /nfs/dbraw/zinc/24/81/15/598248115.db2.gz UFOSCVDFYYUNRM-GFCCVEGCSA-N -1 3 395.379 2.001 20 5 GEBDHM O=C(CC(F)(F)F)N1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737810715 598394394 /nfs/dbraw/zinc/39/43/94/598394394.db2.gz ZIMYDPGNHCTIJX-UHFFFAOYSA-N -1 3 399.333 2.130 20 5 GEBDHM O=C(CC(F)(F)F)N1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737810715 598394396 /nfs/dbraw/zinc/39/43/96/598394396.db2.gz ZIMYDPGNHCTIJX-UHFFFAOYSA-N -1 3 399.333 2.130 20 5 GEBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736894845 598427676 /nfs/dbraw/zinc/42/76/76/598427676.db2.gz WFTBTMWZCCBSMM-OAHLLOKOSA-N -1 3 382.380 2.452 20 5 GEBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736894845 598427677 /nfs/dbraw/zinc/42/76/77/598427677.db2.gz WFTBTMWZCCBSMM-OAHLLOKOSA-N -1 3 382.380 2.452 20 5 GEBDHM Cc1occc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737557506 598457538 /nfs/dbraw/zinc/45/75/38/598457538.db2.gz VCSVMHSTSUAUCB-UHFFFAOYSA-N -1 3 397.395 2.075 20 5 GEBDHM Cc1occc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737557506 598457540 /nfs/dbraw/zinc/45/75/40/598457540.db2.gz VCSVMHSTSUAUCB-UHFFFAOYSA-N -1 3 397.395 2.075 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4o3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368274 598502605 /nfs/dbraw/zinc/50/26/05/598502605.db2.gz BNQPQJCWKHQJDU-UHFFFAOYSA-N -1 3 392.379 2.243 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4o3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368274 598502606 /nfs/dbraw/zinc/50/26/06/598502606.db2.gz BNQPQJCWKHQJDU-UHFFFAOYSA-N -1 3 392.379 2.243 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ncccc3-c3nnn[n-]3)sc2c1 ZINC000738367643 598537165 /nfs/dbraw/zinc/53/71/65/598537165.db2.gz XAQAOWUNQBFSOF-UHFFFAOYSA-N -1 3 383.397 2.304 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ncccc3-c3nn[n-]n3)sc2c1 ZINC000738367643 598537167 /nfs/dbraw/zinc/53/71/67/598537167.db2.gz XAQAOWUNQBFSOF-UHFFFAOYSA-N -1 3 383.397 2.304 20 5 GEBDHM O=C(CC1CCCC1)NC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737813239 598557235 /nfs/dbraw/zinc/55/72/35/598557235.db2.gz JHDXHPAUDXBQEX-UHFFFAOYSA-N -1 3 399.455 2.440 20 5 GEBDHM O=C(CC1CCCC1)NC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737813239 598557237 /nfs/dbraw/zinc/55/72/37/598557237.db2.gz JHDXHPAUDXBQEX-UHFFFAOYSA-N -1 3 399.455 2.440 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC000738367574 598559374 /nfs/dbraw/zinc/55/93/74/598559374.db2.gz VVHCQZLJDHBLGD-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC000738367574 598559376 /nfs/dbraw/zinc/55/93/76/598559376.db2.gz VVHCQZLJDHBLGD-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000738192812 598574542 /nfs/dbraw/zinc/57/45/42/598574542.db2.gz WSTJNCKYVDGNDM-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000738192812 598574543 /nfs/dbraw/zinc/57/45/43/598574543.db2.gz WSTJNCKYVDGNDM-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM Cc1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000737208767 598592184 /nfs/dbraw/zinc/59/21/84/598592184.db2.gz FSAFLYGBUZKEIN-UHFFFAOYSA-N -1 3 387.287 2.383 20 5 GEBDHM Cc1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000737208767 598592186 /nfs/dbraw/zinc/59/21/86/598592186.db2.gz FSAFLYGBUZKEIN-UHFFFAOYSA-N -1 3 387.287 2.383 20 5 GEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736300596 598602085 /nfs/dbraw/zinc/60/20/85/598602085.db2.gz ZCIOZYMIMSQYHD-NSHDSACASA-N -1 3 379.380 2.165 20 5 GEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736300596 598602087 /nfs/dbraw/zinc/60/20/87/598602087.db2.gz ZCIOZYMIMSQYHD-NSHDSACASA-N -1 3 379.380 2.165 20 5 GEBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736173415 598657436 /nfs/dbraw/zinc/65/74/36/598657436.db2.gz HBXOQDXQFVMEQR-QMMMGPOBSA-N -1 3 389.759 2.229 20 5 GEBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736173415 598657438 /nfs/dbraw/zinc/65/74/38/598657438.db2.gz HBXOQDXQFVMEQR-QMMMGPOBSA-N -1 3 389.759 2.229 20 5 GEBDHM Cc1csc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]2C)n1 ZINC000737452853 598672622 /nfs/dbraw/zinc/67/26/22/598672622.db2.gz OLDGEYKQIXJVMC-LLVKDONJSA-N -1 3 386.441 2.255 20 5 GEBDHM Cc1csc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]2C)n1 ZINC000737452853 598672624 /nfs/dbraw/zinc/67/26/24/598672624.db2.gz OLDGEYKQIXJVMC-LLVKDONJSA-N -1 3 386.441 2.255 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@](O)(c2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738370148 598676114 /nfs/dbraw/zinc/67/61/14/598676114.db2.gz QQELHNKDUYTKOA-AWEZNQCLSA-N -1 3 395.301 2.032 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@](O)(c2ccccc2)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738370148 598676115 /nfs/dbraw/zinc/67/61/15/598676115.db2.gz QQELHNKDUYTKOA-AWEZNQCLSA-N -1 3 395.301 2.032 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737086233 598711137 /nfs/dbraw/zinc/71/11/37/598711137.db2.gz GHAKDKXNNFXITJ-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737086233 598711138 /nfs/dbraw/zinc/71/11/38/598711138.db2.gz GHAKDKXNNFXITJ-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM CCc1cc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)ncn1 ZINC000736676109 598785775 /nfs/dbraw/zinc/78/57/75/598785775.db2.gz QIDDJODHHNRVTO-AWEZNQCLSA-N -1 3 395.427 2.208 20 5 GEBDHM CCc1cc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)ncn1 ZINC000736676109 598785776 /nfs/dbraw/zinc/78/57/76/598785776.db2.gz QIDDJODHHNRVTO-AWEZNQCLSA-N -1 3 395.427 2.208 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1csc([N+](=O)[O-])c1 ZINC000738194324 598808163 /nfs/dbraw/zinc/80/81/63/598808163.db2.gz COZMEMWXLDSDOW-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc(C)c1F ZINC000822213178 599340516 /nfs/dbraw/zinc/34/05/16/599340516.db2.gz XTCLGCUKVJNWBX-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc(C)c1F ZINC000822213178 599340518 /nfs/dbraw/zinc/34/05/18/599340518.db2.gz XTCLGCUKVJNWBX-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM COC(=O)c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000736949145 599345922 /nfs/dbraw/zinc/34/59/22/599345922.db2.gz DJEKWUDPOARYHE-VOTSOKGWSA-N -1 3 394.347 2.213 20 5 GEBDHM COC(=O)c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000736949145 599345923 /nfs/dbraw/zinc/34/59/23/599345923.db2.gz DJEKWUDPOARYHE-VOTSOKGWSA-N -1 3 394.347 2.213 20 5 GEBDHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735964898 599349135 /nfs/dbraw/zinc/34/91/35/599349135.db2.gz FOTHLFHNCLHURY-ZDUSSCGKSA-N -1 3 383.416 2.331 20 5 GEBDHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735964898 599349138 /nfs/dbraw/zinc/34/91/38/599349138.db2.gz FOTHLFHNCLHURY-ZDUSSCGKSA-N -1 3 383.416 2.331 20 5 GEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000736841637 599350328 /nfs/dbraw/zinc/35/03/28/599350328.db2.gz GKCDBBPLACTZJK-OAHLLOKOSA-N -1 3 379.380 2.017 20 5 GEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000736841637 599350330 /nfs/dbraw/zinc/35/03/30/599350330.db2.gz GKCDBBPLACTZJK-OAHLLOKOSA-N -1 3 379.380 2.017 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C ZINC000822212875 599360052 /nfs/dbraw/zinc/36/00/52/599360052.db2.gz LGYNSXNKYCXWTK-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822212875 599360054 /nfs/dbraw/zinc/36/00/54/599360054.db2.gz LGYNSXNKYCXWTK-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C ZINC000822135491 599360129 /nfs/dbraw/zinc/36/01/29/599360129.db2.gz BXOWIIOOYQRSHE-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000822135491 599360132 /nfs/dbraw/zinc/36/01/32/599360132.db2.gz BXOWIIOOYQRSHE-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(C/C=C/c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823651123 599397812 /nfs/dbraw/zinc/39/78/12/599397812.db2.gz GOCBZZLQKNMLDA-QPJJXVBHSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(C/C=C/c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823651123 599397814 /nfs/dbraw/zinc/39/78/14/599397814.db2.gz GOCBZZLQKNMLDA-QPJJXVBHSA-N -1 3 392.423 2.005 20 5 GEBDHM CC(C)(C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000824064754 607374511 /nfs/dbraw/zinc/37/45/11/607374511.db2.gz LISKHKQKUOUSBJ-UHFFFAOYSA-N -1 3 395.375 2.479 20 5 GEBDHM CC(C)(C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000824064754 607374513 /nfs/dbraw/zinc/37/45/13/607374513.db2.gz LISKHKQKUOUSBJ-UHFFFAOYSA-N -1 3 395.375 2.479 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000821752068 607378974 /nfs/dbraw/zinc/37/89/74/607378974.db2.gz FSUCMYKUQCBTAJ-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CCO1 ZINC000736291607 599472294 /nfs/dbraw/zinc/47/22/94/599472294.db2.gz GGTSEDOZRSTSKS-NSHDSACASA-N -1 3 382.384 2.139 20 5 GEBDHM C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)CCO1 ZINC000736291607 599472296 /nfs/dbraw/zinc/47/22/96/599472296.db2.gz GGTSEDOZRSTSKS-NSHDSACASA-N -1 3 382.384 2.139 20 5 GEBDHM C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820328273 599526129 /nfs/dbraw/zinc/52/61/29/599526129.db2.gz OOTBIJGXGPADBZ-LBPRGKRZSA-N -1 3 381.396 2.089 20 5 GEBDHM C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820328273 599526131 /nfs/dbraw/zinc/52/61/31/599526131.db2.gz OOTBIJGXGPADBZ-LBPRGKRZSA-N -1 3 381.396 2.089 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645494 599527397 /nfs/dbraw/zinc/52/73/97/599527397.db2.gz RGAOWJPTAOKDGS-CQSZACIVSA-N -1 3 391.391 2.339 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)Cc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645494 599527399 /nfs/dbraw/zinc/52/73/99/599527399.db2.gz RGAOWJPTAOKDGS-CQSZACIVSA-N -1 3 391.391 2.339 20 5 GEBDHM C[C@@H]1COCCN1c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736293490 599535648 /nfs/dbraw/zinc/53/56/48/599535648.db2.gz OXABOGRXXCEUET-LLVKDONJSA-N -1 3 382.384 2.139 20 5 GEBDHM C[C@@H]1COCCN1c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736293490 599535649 /nfs/dbraw/zinc/53/56/49/599535649.db2.gz OXABOGRXXCEUET-LLVKDONJSA-N -1 3 382.384 2.139 20 5 GEBDHM CN(CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)CC(F)(F)F ZINC000821602527 599552819 /nfs/dbraw/zinc/55/28/19/599552819.db2.gz HFKWYLVWALIRRC-UHFFFAOYSA-N -1 3 396.333 2.229 20 5 GEBDHM CN(CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)CC(F)(F)F ZINC000821602527 599552821 /nfs/dbraw/zinc/55/28/21/599552821.db2.gz HFKWYLVWALIRRC-UHFFFAOYSA-N -1 3 396.333 2.229 20 5 GEBDHM CCNc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000821309736 599557586 /nfs/dbraw/zinc/55/75/86/599557586.db2.gz RKNNPONJPGHXFF-UHFFFAOYSA-N -1 3 385.359 2.276 20 5 GEBDHM CCNc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821309736 599557588 /nfs/dbraw/zinc/55/75/88/599557588.db2.gz RKNNPONJPGHXFF-UHFFFAOYSA-N -1 3 385.359 2.276 20 5 GEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820570702 599562957 /nfs/dbraw/zinc/56/29/57/599562957.db2.gz PIKPRFAPEVMOJC-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820570702 599562958 /nfs/dbraw/zinc/56/29/58/599562958.db2.gz PIKPRFAPEVMOJC-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000821648235 599667241 /nfs/dbraw/zinc/66/72/41/599667241.db2.gz FESICYNUFZPVKI-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000821648235 599667242 /nfs/dbraw/zinc/66/72/42/599667242.db2.gz FESICYNUFZPVKI-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822271122 599667524 /nfs/dbraw/zinc/66/75/24/599667524.db2.gz NFANAAPGXUEREQ-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822271122 599667525 /nfs/dbraw/zinc/66/75/25/599667525.db2.gz NFANAAPGXUEREQ-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM CN(CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000821593726 599670625 /nfs/dbraw/zinc/67/06/25/599670625.db2.gz HIORJHFVUNORHZ-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM CN(CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000821593726 599670626 /nfs/dbraw/zinc/67/06/26/599670626.db2.gz HIORJHFVUNORHZ-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820797 607435619 /nfs/dbraw/zinc/43/56/19/607435619.db2.gz UFPXUBIWFNUUSD-UHFFFAOYSA-N -1 3 377.364 2.393 20 5 GEBDHM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820797 607435621 /nfs/dbraw/zinc/43/56/21/607435621.db2.gz UFPXUBIWFNUUSD-UHFFFAOYSA-N -1 3 377.364 2.393 20 5 GEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826439174 607454328 /nfs/dbraw/zinc/45/43/28/607454328.db2.gz IDQSDIXVROSKPL-UHFFFAOYSA-N -1 3 393.407 2.306 20 5 GEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826439174 607454329 /nfs/dbraw/zinc/45/43/29/607454329.db2.gz IDQSDIXVROSKPL-UHFFFAOYSA-N -1 3 393.407 2.306 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826183122 607518137 /nfs/dbraw/zinc/51/81/37/607518137.db2.gz FDLLXPYCBBEGDA-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739873548 601973244 /nfs/dbraw/zinc/97/32/44/601973244.db2.gz ZEIOTZBEMCYFCA-ZDUSSCGKSA-N -1 3 380.401 2.006 20 5 GEBDHM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000739010543 602991427 /nfs/dbraw/zinc/99/14/27/602991427.db2.gz OHKRRNMCWYGXHZ-TZMCWYRMSA-N -1 3 392.412 2.403 20 5 GEBDHM O=C([O-])NC[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000740623090 602992480 /nfs/dbraw/zinc/99/24/80/602992480.db2.gz LKPNFHLWTRKJLO-CYBMUJFWSA-N -1 3 378.385 2.015 20 5 GEBDHM COc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1nnn[n-]1 ZINC000826200869 607628442 /nfs/dbraw/zinc/62/84/42/607628442.db2.gz NEIVCGPDTWTNBD-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM COc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1nn[n-]n1 ZINC000826200869 607628444 /nfs/dbraw/zinc/62/84/44/607628444.db2.gz NEIVCGPDTWTNBD-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM COc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000826193104 607677997 /nfs/dbraw/zinc/67/79/97/607677997.db2.gz QAOODSXATZIBEF-UHFFFAOYSA-N -1 3 392.379 2.363 20 5 GEBDHM COc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000826193104 607677998 /nfs/dbraw/zinc/67/79/98/607677998.db2.gz QAOODSXATZIBEF-UHFFFAOYSA-N -1 3 392.379 2.363 20 5 GEBDHM C[C@@H](C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833406400 605380849 /nfs/dbraw/zinc/38/08/49/605380849.db2.gz DLHBFIDAMMHHFH-CXAGYDPISA-N -1 3 392.433 2.420 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820270249 606038922 /nfs/dbraw/zinc/03/89/22/606038922.db2.gz YMWIFXCIAUTCQO-SNVBAGLBSA-N -1 3 377.405 2.124 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820270249 606038924 /nfs/dbraw/zinc/03/89/24/606038924.db2.gz YMWIFXCIAUTCQO-SNVBAGLBSA-N -1 3 377.405 2.124 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000823345985 606265759 /nfs/dbraw/zinc/26/57/59/606265759.db2.gz FPRLMSPBFGVMIW-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000823345985 606265761 /nfs/dbraw/zinc/26/57/61/606265761.db2.gz FPRLMSPBFGVMIW-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM Cc1cnc(OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822399572 606331312 /nfs/dbraw/zinc/33/13/12/606331312.db2.gz JUOIYZXDHUCCSZ-UHFFFAOYSA-N -1 3 389.759 2.149 20 5 GEBDHM Cc1cnc(OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822399572 606331313 /nfs/dbraw/zinc/33/13/13/606331313.db2.gz JUOIYZXDHUCCSZ-UHFFFAOYSA-N -1 3 389.759 2.149 20 5 GEBDHM Cn1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1[N+](=O)[O-] ZINC000822596802 606557439 /nfs/dbraw/zinc/55/74/39/606557439.db2.gz UHVUEMFXKAFVJQ-UHFFFAOYSA-N -1 3 394.294 2.072 20 5 GEBDHM Cn1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1[N+](=O)[O-] ZINC000822596802 606557441 /nfs/dbraw/zinc/55/74/41/606557441.db2.gz UHVUEMFXKAFVJQ-UHFFFAOYSA-N -1 3 394.294 2.072 20 5 GEBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823410241 606561533 /nfs/dbraw/zinc/56/15/33/606561533.db2.gz SSXMZHXZZAKXNF-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823410241 606561534 /nfs/dbraw/zinc/56/15/34/606561534.db2.gz SSXMZHXZZAKXNF-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM CC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820915309 606588577 /nfs/dbraw/zinc/58/85/77/606588577.db2.gz VCRCBHLEGJFXDI-MRXNPFEDSA-N -1 3 381.396 2.454 20 5 GEBDHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000823154476 606594010 /nfs/dbraw/zinc/59/40/10/606594010.db2.gz CMEMYPWFYICLRC-UHFFFAOYSA-N -1 3 399.436 2.235 20 5 GEBDHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000823154476 606594011 /nfs/dbraw/zinc/59/40/11/606594011.db2.gz CMEMYPWFYICLRC-UHFFFAOYSA-N -1 3 399.436 2.235 20 5 GEBDHM COc1cc2c(cc1OC)CN(c1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)CC2 ZINC000821727656 606644999 /nfs/dbraw/zinc/64/49/99/606644999.db2.gz LXEVDTRGGCOOSQ-UHFFFAOYSA-N -1 3 382.380 2.355 20 5 GEBDHM O=[N+]([O-])c1cc(NC[C@@H](c2ccccc2)N2CCOCC2)ccc1-c1nnn[n-]1 ZINC000823634429 606645096 /nfs/dbraw/zinc/64/50/96/606645096.db2.gz FCSVGLWWAUJGKQ-SFHVURJKSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cc(NC[C@@H](c2ccccc2)N2CCOCC2)ccc1-c1nn[n-]n1 ZINC000823634429 606645097 /nfs/dbraw/zinc/64/50/97/606645097.db2.gz FCSVGLWWAUJGKQ-SFHVURJKSA-N -1 3 395.423 2.260 20 5 GEBDHM COc1cc(OC)c(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000821724734 606645418 /nfs/dbraw/zinc/64/54/18/606645418.db2.gz XDZYDTZWPAIONB-UHFFFAOYSA-N -1 3 386.368 2.413 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000823651493 606728502 /nfs/dbraw/zinc/72/85/02/606728502.db2.gz MGEPUGGESAVBLZ-SECBINFHSA-N -1 3 388.338 2.139 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000823651493 606728504 /nfs/dbraw/zinc/72/85/04/606728504.db2.gz MGEPUGGESAVBLZ-SECBINFHSA-N -1 3 388.338 2.139 20 5 GEBDHM CN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000821570645 606784693 /nfs/dbraw/zinc/78/46/93/606784693.db2.gz FHOIHZRGUKGPOV-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM CN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000821570645 606784694 /nfs/dbraw/zinc/78/46/94/606784694.db2.gz FHOIHZRGUKGPOV-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM COC(=O)c1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821668076 606787976 /nfs/dbraw/zinc/78/79/76/606787976.db2.gz NLYWMZZFZMTDMP-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823257267 606789703 /nfs/dbraw/zinc/78/97/03/606789703.db2.gz GSHVTRJMPBJLJL-UHFFFAOYSA-N -1 3 387.787 2.428 20 5 GEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823257267 606789704 /nfs/dbraw/zinc/78/97/04/606789704.db2.gz GSHVTRJMPBJLJL-UHFFFAOYSA-N -1 3 387.787 2.428 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823648401 606793997 /nfs/dbraw/zinc/79/39/97/606793997.db2.gz WDZOLDREJCFVLK-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823648401 606793998 /nfs/dbraw/zinc/79/39/98/606793998.db2.gz WDZOLDREJCFVLK-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823044341 606813331 /nfs/dbraw/zinc/81/33/31/606813331.db2.gz SPCRHJPVWYJIOT-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823044341 606813333 /nfs/dbraw/zinc/81/33/33/606813333.db2.gz SPCRHJPVWYJIOT-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823136038 606995607 /nfs/dbraw/zinc/99/56/07/606995607.db2.gz HAZDHNJUOZEFLK-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823136038 606995608 /nfs/dbraw/zinc/99/56/08/606995608.db2.gz HAZDHNJUOZEFLK-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822271248 607001593 /nfs/dbraw/zinc/00/15/93/607001593.db2.gz SUVPXTXLQFNAJW-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822271248 607001594 /nfs/dbraw/zinc/00/15/94/607001594.db2.gz SUVPXTXLQFNAJW-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000821122892 607020145 /nfs/dbraw/zinc/02/01/45/607020145.db2.gz AZPYFVZPWPKLCM-UHFFFAOYSA-N -1 3 382.384 2.431 20 5 GEBDHM Cc1ccc(C)c(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000822231841 607038462 /nfs/dbraw/zinc/03/84/62/607038462.db2.gz JFDKFKCUQGCWIL-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM Cc1ccc(C)c(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000822231841 607038463 /nfs/dbraw/zinc/03/84/63/607038463.db2.gz JFDKFKCUQGCWIL-UHFFFAOYSA-N -1 3 380.412 2.113 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000822212710 607049332 /nfs/dbraw/zinc/04/93/32/607049332.db2.gz DLGLURISWWFLSM-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000822212710 607049333 /nfs/dbraw/zinc/04/93/33/607049333.db2.gz DLGLURISWWFLSM-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccn(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822370228 607126181 /nfs/dbraw/zinc/12/61/81/607126181.db2.gz TXYBHZGRSJKQKK-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM Cc1ccn(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822370228 607126183 /nfs/dbraw/zinc/12/61/83/607126183.db2.gz TXYBHZGRSJKQKK-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077990 607133714 /nfs/dbraw/zinc/13/37/14/607133714.db2.gz CYZMGMMHTODJOD-GJZGRUSLSA-N -1 3 397.395 2.241 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000823077990 607133716 /nfs/dbraw/zinc/13/37/16/607133716.db2.gz CYZMGMMHTODJOD-GJZGRUSLSA-N -1 3 397.395 2.241 20 5 GEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000823449759 607245519 /nfs/dbraw/zinc/24/55/19/607245519.db2.gz BOSMLSXBNNKWNW-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000823449759 607245520 /nfs/dbraw/zinc/24/55/20/607245520.db2.gz BOSMLSXBNNKWNW-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM COc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])cc1OC ZINC000821707941 607250549 /nfs/dbraw/zinc/25/05/49/607250549.db2.gz ISAHARQUDWPPOW-UHFFFAOYSA-N -1 3 389.299 2.150 20 5 GEBDHM COc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])cc1OC ZINC000821707941 607250550 /nfs/dbraw/zinc/25/05/50/607250550.db2.gz ISAHARQUDWPPOW-UHFFFAOYSA-N -1 3 389.299 2.150 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826272255 607866802 /nfs/dbraw/zinc/86/68/02/607866802.db2.gz AOJYBFLOWDBOLT-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826272255 607866803 /nfs/dbraw/zinc/86/68/03/607866803.db2.gz AOJYBFLOWDBOLT-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000826300444 607866977 /nfs/dbraw/zinc/86/69/77/607866977.db2.gz VOXQSDBKGKMWMG-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000826300444 607866978 /nfs/dbraw/zinc/86/69/78/607866978.db2.gz VOXQSDBKGKMWMG-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2cnn(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000826497995 607868543 /nfs/dbraw/zinc/86/85/43/607868543.db2.gz CHIFZDVZPUWIDF-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2cnn(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826497995 607868544 /nfs/dbraw/zinc/86/85/44/607868544.db2.gz CHIFZDVZPUWIDF-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM Cc1cc(C)cc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826264392 607869432 /nfs/dbraw/zinc/86/94/32/607869432.db2.gz MSSGGHSMOBIBCT-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cc(C)cc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826264392 607869433 /nfs/dbraw/zinc/86/94/33/607869433.db2.gz MSSGGHSMOBIBCT-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826420849 607949603 /nfs/dbraw/zinc/94/96/03/607949603.db2.gz FXFCQGNRMAXXOO-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826420849 607949604 /nfs/dbraw/zinc/94/96/04/607949604.db2.gz FXFCQGNRMAXXOO-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470159 607955170 /nfs/dbraw/zinc/95/51/70/607955170.db2.gz FWXFAFLHUVJGLI-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470159 607955171 /nfs/dbraw/zinc/95/51/71/607955171.db2.gz FWXFAFLHUVJGLI-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824728798 607956554 /nfs/dbraw/zinc/95/65/54/607956554.db2.gz HOHWRFSFGHZZJH-GFCCVEGCSA-N -1 3 394.391 2.127 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1Cc1ccccc1 ZINC000826477881 608053497 /nfs/dbraw/zinc/05/34/97/608053497.db2.gz OCCAGLUPJJXRSY-QGZVFWFLSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1Cc1ccccc1 ZINC000826477881 608053498 /nfs/dbraw/zinc/05/34/98/608053498.db2.gz OCCAGLUPJJXRSY-QGZVFWFLSA-N -1 3 393.407 2.378 20 5 GEBDHM Cc1cc([C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266395 608151327 /nfs/dbraw/zinc/15/13/27/608151327.db2.gz NLAXYBBIUDHXMX-OAHLLOKOSA-N -1 3 385.359 2.195 20 5 GEBDHM Cc1cc([C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266395 608151328 /nfs/dbraw/zinc/15/13/28/608151328.db2.gz NLAXYBBIUDHXMX-OAHLLOKOSA-N -1 3 385.359 2.195 20 5 GEBDHM Cc1cc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266394 608151539 /nfs/dbraw/zinc/15/15/39/608151539.db2.gz NLAXYBBIUDHXMX-HNNXBMFYSA-N -1 3 385.359 2.195 20 5 GEBDHM Cc1cc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266394 608151542 /nfs/dbraw/zinc/15/15/42/608151542.db2.gz NLAXYBBIUDHXMX-HNNXBMFYSA-N -1 3 385.359 2.195 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441744 608157339 /nfs/dbraw/zinc/15/73/39/608157339.db2.gz SEARXIAAWPLDFT-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441744 608157341 /nfs/dbraw/zinc/15/73/41/608157341.db2.gz SEARXIAAWPLDFT-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM C[C@@H](Oc1cccnc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824757657 608160915 /nfs/dbraw/zinc/16/09/15/608160915.db2.gz ZPCDQCJGNHAQMK-MRVPVSSYSA-N -1 3 389.759 2.229 20 5 GEBDHM C[C@@H](Oc1cccnc1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824757657 608160916 /nfs/dbraw/zinc/16/09/16/608160916.db2.gz ZPCDQCJGNHAQMK-MRVPVSSYSA-N -1 3 389.759 2.229 20 5 GEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000825793136 608178824 /nfs/dbraw/zinc/17/88/24/608178824.db2.gz NIKXSUXTIAEVPQ-UHFFFAOYSA-N -1 3 392.379 2.326 20 5 GEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000825793136 608178825 /nfs/dbraw/zinc/17/88/25/608178825.db2.gz NIKXSUXTIAEVPQ-UHFFFAOYSA-N -1 3 392.379 2.326 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ncc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826273163 608336527 /nfs/dbraw/zinc/33/65/27/608336527.db2.gz RYLVLIOYZRRDSU-UHFFFAOYSA-N -1 3 385.771 2.335 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ncc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826273163 608336529 /nfs/dbraw/zinc/33/65/29/608336529.db2.gz RYLVLIOYZRRDSU-UHFFFAOYSA-N -1 3 385.771 2.335 20 5 GEBDHM COc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1[N+](=O)[O-] ZINC000826172727 608346287 /nfs/dbraw/zinc/34/62/87/608346287.db2.gz VDCNXUMMNIEHSP-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1[N+](=O)[O-] ZINC000826172727 608346289 /nfs/dbraw/zinc/34/62/89/608346289.db2.gz VDCNXUMMNIEHSP-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM Cc1oc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826341843 608469705 /nfs/dbraw/zinc/46/97/05/608469705.db2.gz RKHRNCSEXSIWQO-JTQLQIEISA-N -1 3 385.384 2.274 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826362767 608481883 /nfs/dbraw/zinc/48/18/83/608481883.db2.gz HZTQBNTXLAXBIU-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826362767 608481884 /nfs/dbraw/zinc/48/18/84/608481884.db2.gz HZTQBNTXLAXBIU-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM O=[N+]([O-])c1ncccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826500835 608559492 /nfs/dbraw/zinc/55/94/92/608559492.db2.gz NYFSHYOOXIHROS-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM O=[N+]([O-])c1ncccc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826500835 608559493 /nfs/dbraw/zinc/55/94/93/608559493.db2.gz NYFSHYOOXIHROS-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826330137 608570628 /nfs/dbraw/zinc/57/06/28/608570628.db2.gz HDMMSIAAJPQHTN-UHFFFAOYSA-N -1 3 380.368 2.004 20 5 GEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826330137 608570630 /nfs/dbraw/zinc/57/06/30/608570630.db2.gz HDMMSIAAJPQHTN-UHFFFAOYSA-N -1 3 380.368 2.004 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826364553 609172147 /nfs/dbraw/zinc/17/21/47/609172147.db2.gz ZXUOLDLHUXPLPF-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826364553 609172149 /nfs/dbraw/zinc/17/21/49/609172149.db2.gz ZXUOLDLHUXPLPF-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825825459 609375492 /nfs/dbraw/zinc/37/54/92/609375492.db2.gz CNOAMEJNPAPBSN-UHFFFAOYSA-N -1 3 382.365 2.056 20 5 GEBDHM CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825825459 609375494 /nfs/dbraw/zinc/37/54/94/609375494.db2.gz CNOAMEJNPAPBSN-UHFFFAOYSA-N -1 3 382.365 2.056 20 5 GEBDHM CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825818284 609390698 /nfs/dbraw/zinc/39/06/98/609390698.db2.gz ZVKJRBJUKYEMNE-UHFFFAOYSA-N -1 3 397.351 2.279 20 5 GEBDHM CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825818284 609390700 /nfs/dbraw/zinc/39/07/00/609390700.db2.gz ZVKJRBJUKYEMNE-UHFFFAOYSA-N -1 3 397.351 2.279 20 5 GEBDHM Cc1nc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826326956 609574945 /nfs/dbraw/zinc/57/49/45/609574945.db2.gz MERZGORPMRGTIK-AWEZNQCLSA-N -1 3 394.395 2.086 20 5 GEBDHM Cc1nc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826326956 609574948 /nfs/dbraw/zinc/57/49/48/609574948.db2.gz MERZGORPMRGTIK-AWEZNQCLSA-N -1 3 394.395 2.086 20 5 GEBDHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447033179 649995201 /nfs/dbraw/zinc/99/52/01/649995201.db2.gz FFQHKQHUOFHZAP-UHFFFAOYSA-N -1 3 384.332 2.234 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000503730577 650421933 /nfs/dbraw/zinc/42/19/33/650421933.db2.gz FOKHJDOXLZJRAC-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM Cc1ccc(S(=O)(=O)[N-]c2c[nH]cc(Br)c2=O)c([N+](=O)[O-])c1 ZINC000504043256 650425926 /nfs/dbraw/zinc/42/59/26/650425926.db2.gz LLDONEIYAJCOEJ-UHFFFAOYSA-N -1 3 388.199 2.155 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccco2)c(Br)c1 ZINC000460932745 650448344 /nfs/dbraw/zinc/44/83/44/650448344.db2.gz JFHJNXIAGYFDBK-UHFFFAOYSA-N -1 3 375.200 2.471 20 5 GEBDHM NC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000511143402 650528306 /nfs/dbraw/zinc/52/83/06/650528306.db2.gz GZFBYNZCUGRIEC-UHFFFAOYSA-N -1 3 384.801 2.217 20 5 GEBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000066334017 642909781 /nfs/dbraw/zinc/90/97/81/642909781.db2.gz FTDYAJXBMYUJGA-NSHDSACASA-N -1 3 388.398 2.378 20 5 GEBDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178775537 644439107 /nfs/dbraw/zinc/43/91/07/644439107.db2.gz DNDWBOSCQVVKKW-SNVBAGLBSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(Br)c1 ZINC000269488944 646039740 /nfs/dbraw/zinc/03/97/40/646039740.db2.gz RTTIBKNPASFUKW-JTQLQIEISA-N -1 3 379.232 2.205 20 5 GEBDHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269850477 646067327 /nfs/dbraw/zinc/06/73/27/646067327.db2.gz ZPWASSDGYUESLJ-RKDXNWHRSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271306734 646188877 /nfs/dbraw/zinc/18/88/77/646188877.db2.gz VRKUJIVBSMUGBD-DTWKUNHWSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000278929755 646563252 /nfs/dbraw/zinc/56/32/52/646563252.db2.gz VXXOBDFOMPRRSM-LBPRGKRZSA-N -1 3 378.332 2.219 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1 ZINC000416409655 648115687 /nfs/dbraw/zinc/11/56/87/648115687.db2.gz VNYSNYFVOOWZFO-KOLCDFICSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c(Br)c1 ZINC000416642429 648198430 /nfs/dbraw/zinc/19/84/30/648198430.db2.gz CHYFVNHAFPAIGZ-UWVGGRQHSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1cc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2F)cs1 ZINC000441377183 648826280 /nfs/dbraw/zinc/82/62/80/648826280.db2.gz FUPQBNPNAKOPBY-UHFFFAOYSA-N -1 3 377.394 2.003 20 5 GEBDHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443111226 648862741 /nfs/dbraw/zinc/86/27/41/648862741.db2.gz CRQJJBARXJTWRX-LBPRGKRZSA-N -1 3 395.275 2.433 20 5 GEBDHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443257718 648869654 /nfs/dbraw/zinc/86/96/54/648869654.db2.gz PYPGGMSZKXXOFT-LLVKDONJSA-N -1 3 381.248 2.043 20 5 GEBDHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443274953 648871032 /nfs/dbraw/zinc/87/10/32/648871032.db2.gz XJDAXGQEHXDLTI-KWQFWETISA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000559156755 651292225 /nfs/dbraw/zinc/29/22/25/651292225.db2.gz URTZRNKYFLJTJT-ZANVPECISA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000559156753 651292249 /nfs/dbraw/zinc/29/22/49/651292249.db2.gz URTZRNKYFLJTJT-RNCFNFMXSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c(F)c1 ZINC000560015417 651303541 /nfs/dbraw/zinc/30/35/41/651303541.db2.gz GQRHVYODMVLCFT-UHFFFAOYSA-N -1 3 377.300 2.209 20 5 GEBDHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610957405 651695519 /nfs/dbraw/zinc/69/55/19/651695519.db2.gz RJAZSXWCYMAPKF-ZJUUUORDSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCOC1 ZINC000742312562 651979225 /nfs/dbraw/zinc/97/92/25/651979225.db2.gz NDBMSXSSEJNFKZ-BDAKNGLRSA-N -1 3 379.232 2.061 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1csc([N+](=O)[O-])c1 ZINC000750212207 652286938 /nfs/dbraw/zinc/28/69/38/652286938.db2.gz CTLDNIAKSYBMNB-UHFFFAOYSA-N -1 3 396.855 2.393 20 5 GEBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751469497 652354339 /nfs/dbraw/zinc/35/43/39/652354339.db2.gz XRHQMMWBLXMHNY-NXEZZACHSA-N -1 3 395.275 2.433 20 5 GEBDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1(C)C ZINC000753375695 652405858 /nfs/dbraw/zinc/40/58/58/652405858.db2.gz BGGGXKDKNSYPAR-VXGBXAGGSA-N -1 3 393.259 2.449 20 5 GEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1(C)C ZINC000753375688 652405871 /nfs/dbraw/zinc/40/58/71/652405871.db2.gz BGGGXKDKNSYPAR-NWDGAFQWSA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c(Br)c1 ZINC000599365303 652864484 /nfs/dbraw/zinc/86/44/84/652864484.db2.gz YLHOWRGOXXNXEJ-JTQLQIEISA-N -1 3 393.259 2.452 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000768838138 653129986 /nfs/dbraw/zinc/12/99/86/653129986.db2.gz YPLVRNXXRHOIAP-VIFPVBQESA-N -1 3 381.435 2.215 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000768910342 653137462 /nfs/dbraw/zinc/13/74/62/653137462.db2.gz SYUMIMHRJFVGTA-SECBINFHSA-N -1 3 393.849 2.440 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000770703316 653221547 /nfs/dbraw/zinc/22/15/47/653221547.db2.gz CLRSZFCLQMPAIU-NXEZZACHSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(CC3CC3)C2)cc1Cl ZINC000809815580 653298570 /nfs/dbraw/zinc/29/85/70/653298570.db2.gz JRNCMWYETZPSGP-SNVBAGLBSA-N -1 3 377.825 2.150 20 5 GEBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814386777 653629051 /nfs/dbraw/zinc/62/90/51/653629051.db2.gz JVZGLBZACJTWQS-UHFFFAOYSA-N -1 3 382.785 2.305 20 5 GEBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC000814388572 653629275 /nfs/dbraw/zinc/62/92/75/653629275.db2.gz LRHLIUSZDIUNQH-UHFFFAOYSA-N -1 3 382.785 2.305 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@@H]12 ZINC000814990252 653642142 /nfs/dbraw/zinc/64/21/42/653642142.db2.gz JIMCIGVIEUNOFG-RYUDHWBXSA-N -1 3 377.825 2.292 20 5 GEBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000841535314 653729224 /nfs/dbraw/zinc/72/92/24/653729224.db2.gz QYCAAXYHQMLIOK-WPRPVWTQSA-N -1 3 379.232 2.203 20 5 GEBDHM Cn1cnc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC000841536460 653729381 /nfs/dbraw/zinc/72/93/81/653729381.db2.gz BHXYLLHPMPPKGU-UHFFFAOYSA-N -1 3 379.225 2.156 20 5 GEBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000841536587 653729617 /nfs/dbraw/zinc/72/96/17/653729617.db2.gz GJSPAALSTXJJPX-WAAGHKOSSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000841566143 653735209 /nfs/dbraw/zinc/73/52/09/653735209.db2.gz HAYWOAIJBITZCV-SKDRFNHKSA-N -1 3 384.788 2.384 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c1 ZINC000841575898 653737379 /nfs/dbraw/zinc/73/73/79/653737379.db2.gz ZYGHIZUHXBRCCZ-ZJUUUORDSA-N -1 3 393.259 2.187 20 5 GEBDHM COC(=O)CCCO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000819932263 653762964 /nfs/dbraw/zinc/76/29/64/653762964.db2.gz HXMRBJNMTLCSLZ-UHFFFAOYSA-N -1 3 379.138 2.111 20 5 GEBDHM C[C@@]1(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@]1(F)Cl ZINC000845984679 653876692 /nfs/dbraw/zinc/87/66/92/653876692.db2.gz XWOKEKFWPYPNHV-ZIAGYGMSSA-N -1 3 394.808 2.349 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2cccnc2F)c1 ZINC000795265395 653941659 /nfs/dbraw/zinc/94/16/59/653941659.db2.gz KEYZHUTZMCUNCO-UHFFFAOYSA-N -1 3 390.190 2.370 20 5 GEBDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000849469510 654043637 /nfs/dbraw/zinc/04/36/37/654043637.db2.gz WYBGMOJUUJDTRA-CYBMUJFWSA-N -1 3 382.797 2.126 20 5 GEBDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(C)(C)[N+](=O)[O-])ccc1F ZINC000851125533 654131345 /nfs/dbraw/zinc/13/13/45/654131345.db2.gz HFRLVOGXOMNHFR-UHFFFAOYSA-N -1 3 376.406 2.115 20 5 GEBDHM CC(C)(COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000851129385 654131714 /nfs/dbraw/zinc/13/17/14/654131714.db2.gz LRUYVNRHUPVMCZ-UHFFFAOYSA-N -1 3 384.332 2.289 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OCc1ccccc1 ZINC000917848752 654135986 /nfs/dbraw/zinc/13/59/86/654135986.db2.gz FXNXRGWGPFMUIO-UHFFFAOYSA-N -1 3 384.797 2.270 20 5 GEBDHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000851853851 654192361 /nfs/dbraw/zinc/19/23/61/654192361.db2.gz LMMVTAXVCWCODV-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(CF)CCOCC2)ccc1Br ZINC000831997390 654223488 /nfs/dbraw/zinc/22/34/88/654223488.db2.gz CZVNETAZVARUNG-UHFFFAOYSA-N -1 3 397.222 2.154 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000907760428 654575624 /nfs/dbraw/zinc/57/56/24/654575624.db2.gz PZAAUANXMZPMOR-LODQBSKSSA-N -1 3 378.328 2.068 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000908411230 654627571 /nfs/dbraw/zinc/62/75/71/654627571.db2.gz QGRILLQYNVPOFM-CMPLNLGQSA-N -1 3 380.344 2.317 20 5 GEBDHM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000152340435 531545244 /nfs/dbraw/zinc/54/52/44/531545244.db2.gz IDDQORADJDCHDS-GFCCVEGCSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-n2ccnn2)cc1 ZINC000158122512 531767582 /nfs/dbraw/zinc/76/75/82/531767582.db2.gz PKSCWCZQEQCUID-JTQLQIEISA-N -1 3 379.423 2.277 20 5 GEBDHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053667077 531768389 /nfs/dbraw/zinc/76/83/89/531768389.db2.gz VXAQKAPNWIVWSP-UHFFFAOYSA-N -1 3 377.850 2.175 20 5 GEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162166912 531838051 /nfs/dbraw/zinc/83/80/51/531838051.db2.gz YKXOXRWRDAWMRD-NSHDSACASA-N -1 3 381.376 2.376 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCCCC2)c(C(F)(F)F)c1 ZINC000162805350 531851965 /nfs/dbraw/zinc/85/19/65/531851965.db2.gz YZUIWRNXYUBEMQ-UHFFFAOYSA-N -1 3 381.376 2.378 20 5 GEBDHM CCc1ccc(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1[N+](=O)[O-] ZINC000174044549 532047258 /nfs/dbraw/zinc/04/72/58/532047258.db2.gz IXBSKJMWNDVEEP-UHFFFAOYSA-N -1 3 383.451 2.057 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000123371607 532098699 /nfs/dbraw/zinc/09/86/99/532098699.db2.gz UNJUIXUJNJFPBV-UHFFFAOYSA-N -1 3 387.405 2.270 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([S@](C)=O)cc2)cc1C ZINC000175876649 532117750 /nfs/dbraw/zinc/11/77/50/532117750.db2.gz VJFQECRGKMZSRZ-DEOSSOPVSA-N -1 3 382.463 2.428 20 5 GEBDHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000133414821 532235008 /nfs/dbraw/zinc/23/50/08/532235008.db2.gz UCPFADOKVGPWCA-UHFFFAOYSA-N -1 3 379.232 2.251 20 5 GEBDHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000133463039 532235586 /nfs/dbraw/zinc/23/55/86/532235586.db2.gz LPRVSGWNCYBITI-UHFFFAOYSA-N -1 3 383.813 2.332 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)c1 ZINC000183666860 532327285 /nfs/dbraw/zinc/32/72/85/532327285.db2.gz IADBXAQBHRSDMB-JOCHJYFZSA-N -1 3 382.891 2.382 20 5 GEBDHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)s1 ZINC000187222296 532343526 /nfs/dbraw/zinc/34/35/26/532343526.db2.gz FTKBPWIAVDCSQH-UHFFFAOYSA-N -1 3 389.430 2.282 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1ccc(Cl)cc1F ZINC000189347191 532351769 /nfs/dbraw/zinc/35/17/69/532351769.db2.gz YSIGZKDRKWFFJN-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM CSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000557536296 532367432 /nfs/dbraw/zinc/36/74/32/532367432.db2.gz SYFNLZIREZQWGQ-UHFFFAOYSA-N -1 3 393.918 2.354 20 5 GEBDHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000278039608 532371650 /nfs/dbraw/zinc/37/16/50/532371650.db2.gz XJLAKPXTMJZMAM-KCJUWKMLSA-N -1 3 379.232 2.061 20 5 GEBDHM O=C(C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000425198392 532371954 /nfs/dbraw/zinc/37/19/54/532371954.db2.gz XNPLYYBXNCNQQP-UHFFFAOYSA-N -1 3 376.381 2.409 20 5 GEBDHM CS(=O)(=O)Cc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000561374246 532436366 /nfs/dbraw/zinc/43/63/66/532436366.db2.gz JEBVTSKDTXPKRF-UHFFFAOYSA-N -1 3 390.464 2.348 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CCC2)c(Br)c1 ZINC000562279417 532460773 /nfs/dbraw/zinc/46/07/73/532460773.db2.gz NJQYGTLILBHTDP-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000295817940 532479437 /nfs/dbraw/zinc/47/94/37/532479437.db2.gz UOAYJBTXUANTJL-VIFPVBQESA-N -1 3 381.248 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)nc1 ZINC000593605990 532489328 /nfs/dbraw/zinc/48/93/28/532489328.db2.gz NCWNCZIHLXAEJC-CQSZACIVSA-N -1 3 383.451 2.234 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000594475419 532509055 /nfs/dbraw/zinc/50/90/55/532509055.db2.gz UYAKEYKJAQTMIF-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000469243597 532498043 /nfs/dbraw/zinc/49/80/43/532498043.db2.gz PNJFXAIHSSFDPF-SECBINFHSA-N -1 3 378.353 2.238 20 5 GEBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000296055248 532498201 /nfs/dbraw/zinc/49/82/01/532498201.db2.gz CKNPHUPPCBYTJO-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CO1 ZINC000594793295 532530001 /nfs/dbraw/zinc/53/00/01/532530001.db2.gz CDQZAKSENVQIJL-MRVPVSSYSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)c(F)c1 ZINC000432285431 532532154 /nfs/dbraw/zinc/53/21/54/532532154.db2.gz UIOJRYOKMLCELR-UHFFFAOYSA-N -1 3 390.190 2.370 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1Br ZINC000249499512 532567398 /nfs/dbraw/zinc/56/73/98/532567398.db2.gz HHALCPHEFULPSR-NDMJEZRESA-N -1 3 391.243 2.203 20 5 GEBDHM CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000297165101 532570389 /nfs/dbraw/zinc/57/03/89/532570389.db2.gz SDGATQAQCRRCEM-UHFFFAOYSA-N -1 3 380.213 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncccc2F)c(Br)c1 ZINC000530480102 532622989 /nfs/dbraw/zinc/62/29/89/532622989.db2.gz SJQWUPQDBKFPJF-UHFFFAOYSA-N -1 3 390.190 2.370 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000599459969 532660985 /nfs/dbraw/zinc/66/09/85/532660985.db2.gz OVPMBTPBTWFHMI-WCQYABFASA-N -1 3 382.419 2.277 20 5 GEBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OC ZINC000533465833 532663609 /nfs/dbraw/zinc/66/36/09/532663609.db2.gz IYVJVOJJXIKBTR-GFCCVEGCSA-N -1 3 384.332 2.234 20 5 GEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000533465742 532664535 /nfs/dbraw/zinc/66/45/35/532664535.db2.gz DRHMHOXUHSHZFO-LLVKDONJSA-N -1 3 381.248 2.307 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285273549 532664762 /nfs/dbraw/zinc/66/47/62/532664762.db2.gz JUOGMWHJVUJNBD-ZDUSSCGKSA-N -1 3 387.849 2.361 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CNCCC1(F)F ZINC000567862134 532666819 /nfs/dbraw/zinc/66/68/19/532666819.db2.gz NTZPSVQRLPBOQR-VIFPVBQESA-N -1 3 390.195 2.177 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298927479 532684517 /nfs/dbraw/zinc/68/45/17/532684517.db2.gz DFTZTCBSMVLYNG-QWRGUYRKSA-N -1 3 383.451 2.201 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000298806231 532676121 /nfs/dbraw/zinc/67/61/21/532676121.db2.gz HYUOOJSGCAEYEI-LLVKDONJSA-N -1 3 381.376 2.066 20 5 GEBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1(C)C ZINC000440392672 532711740 /nfs/dbraw/zinc/71/17/40/532711740.db2.gz RZPYHUZOEWWORL-NWDGAFQWSA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1cnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000440676243 532721017 /nfs/dbraw/zinc/72/10/17/532721017.db2.gz TYYYNZSTJRFMJH-UHFFFAOYSA-N -1 3 392.771 2.312 20 5 GEBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000539116137 532724249 /nfs/dbraw/zinc/72/42/49/532724249.db2.gz NDWVKMAYRQJIRL-UHFFFAOYSA-N -1 3 384.435 2.257 20 5 GEBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443298302 532744682 /nfs/dbraw/zinc/74/46/82/532744682.db2.gz PBRZGJPHYSLRSO-NOZJJQNGSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccn2)c(Br)c1 ZINC000446938454 532756212 /nfs/dbraw/zinc/75/62/12/532756212.db2.gz ISTQRACDGAZRKD-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM Cc1c(Br)c(=O)n(Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000413002737 532805566 /nfs/dbraw/zinc/80/55/66/532805566.db2.gz SOAIGLZAHOGGLC-UHFFFAOYSA-N -1 3 381.186 2.249 20 5 GEBDHM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000330481674 532819414 /nfs/dbraw/zinc/81/94/14/532819414.db2.gz SCGMOWUJEJVRGH-CHWSQXEVSA-N -1 3 393.259 2.187 20 5 GEBDHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416392058 532875321 /nfs/dbraw/zinc/87/53/21/532875321.db2.gz UCUIRQJXXWLLTI-UHFFFAOYSA-N -1 3 384.332 2.234 20 5 GEBDHM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416444267 532877403 /nfs/dbraw/zinc/87/74/03/532877403.db2.gz XTFFAWFSZHBZRP-OIBJUYFYSA-N -1 3 388.389 2.004 20 5 GEBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421845695 532890818 /nfs/dbraw/zinc/89/08/18/532890818.db2.gz QQYJWWGPLHYCBB-LLVKDONJSA-N -1 3 384.845 2.272 20 5 GEBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276209006 532891088 /nfs/dbraw/zinc/89/10/88/532891088.db2.gz KVPSTQQPLDOMFU-CHWSQXEVSA-N -1 3 388.467 2.334 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccnc(OC2CCOCC2)c1 ZINC000738360411 598831279 /nfs/dbraw/zinc/83/12/79/598831279.db2.gz WJUVSSPSWUIIOY-UHFFFAOYSA-N -1 3 397.395 2.340 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccnc(OC2CCOCC2)c1 ZINC000738360411 598831280 /nfs/dbraw/zinc/83/12/80/598831280.db2.gz WJUVSSPSWUIIOY-UHFFFAOYSA-N -1 3 397.395 2.340 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737928749 598834805 /nfs/dbraw/zinc/83/48/05/598834805.db2.gz COGFCFSUSVGNEL-UHFFFAOYSA-N -1 3 396.407 2.293 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737928749 598834807 /nfs/dbraw/zinc/83/48/07/598834807.db2.gz COGFCFSUSVGNEL-UHFFFAOYSA-N -1 3 396.407 2.293 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737964023 598835007 /nfs/dbraw/zinc/83/50/07/598835007.db2.gz WQARYPIJMNXYSY-UHFFFAOYSA-N -1 3 380.408 2.457 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737964023 598835009 /nfs/dbraw/zinc/83/50/09/598835009.db2.gz WQARYPIJMNXYSY-UHFFFAOYSA-N -1 3 380.408 2.457 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901514 598895127 /nfs/dbraw/zinc/89/51/27/598895127.db2.gz ZSCMFKJDHNYDES-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901514 598895129 /nfs/dbraw/zinc/89/51/29/598895129.db2.gz ZSCMFKJDHNYDES-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898996 598899212 /nfs/dbraw/zinc/89/92/12/598899212.db2.gz LUFIUWQQXIBXFY-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898996 598899213 /nfs/dbraw/zinc/89/92/13/598899213.db2.gz LUFIUWQQXIBXFY-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900157 598899943 /nfs/dbraw/zinc/89/99/43/598899943.db2.gz QSICRZOLTRMYKN-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900157 598899944 /nfs/dbraw/zinc/89/99/44/598899944.db2.gz QSICRZOLTRMYKN-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3cccc(Cl)c3)no2)c(-c2nnn[n-]2)c1 ZINC000738375010 599059660 /nfs/dbraw/zinc/05/96/60/599059660.db2.gz XTEGOMYFUOTMSK-UHFFFAOYSA-N -1 3 399.758 2.485 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3cccc(Cl)c3)no2)c(-c2nn[n-]n2)c1 ZINC000738375010 599059663 /nfs/dbraw/zinc/05/96/63/599059663.db2.gz XTEGOMYFUOTMSK-UHFFFAOYSA-N -1 3 399.758 2.485 20 5 GEBDHM CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735709794 599062087 /nfs/dbraw/zinc/06/20/87/599062087.db2.gz SBJRJWFGZDYROS-LBPRGKRZSA-N -1 3 392.420 2.131 20 5 GEBDHM CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735709794 599062089 /nfs/dbraw/zinc/06/20/89/599062089.db2.gz SBJRJWFGZDYROS-LBPRGKRZSA-N -1 3 392.420 2.131 20 5 GEBDHM Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000822510643 599090842 /nfs/dbraw/zinc/09/08/42/599090842.db2.gz SOCNIHXFKUYTNX-UHFFFAOYSA-N -1 3 396.411 2.230 20 5 GEBDHM Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000822510643 599090844 /nfs/dbraw/zinc/09/08/44/599090844.db2.gz SOCNIHXFKUYTNX-UHFFFAOYSA-N -1 3 396.411 2.230 20 5 GEBDHM COCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989281 599116213 /nfs/dbraw/zinc/11/62/13/599116213.db2.gz YGIIZUAKYSCTSY-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM COCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989281 599116216 /nfs/dbraw/zinc/11/62/16/599116216.db2.gz YGIIZUAKYSCTSY-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM CCOc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000821417047 599163431 /nfs/dbraw/zinc/16/34/31/599163431.db2.gz HLRNVMFLNGRYLL-UHFFFAOYSA-N -1 3 386.343 2.243 20 5 GEBDHM CCOc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821417047 599163432 /nfs/dbraw/zinc/16/34/32/599163432.db2.gz HLRNVMFLNGRYLL-UHFFFAOYSA-N -1 3 386.343 2.243 20 5 GEBDHM O=[N+]([O-])c1ccc(NC(=S)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738371640 599176444 /nfs/dbraw/zinc/17/64/44/599176444.db2.gz VNFRUJPXTNHAMG-UHFFFAOYSA-N -1 3 385.409 2.140 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823241930 599182891 /nfs/dbraw/zinc/18/28/91/599182891.db2.gz KPJIWAAWBHASSV-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823241930 599182893 /nfs/dbraw/zinc/18/28/93/599182893.db2.gz KPJIWAAWBHASSV-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM COCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989303 599206718 /nfs/dbraw/zinc/20/67/18/599206718.db2.gz ZHBAMZSUGUOINV-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM COCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989303 599206717 /nfs/dbraw/zinc/20/67/17/599206717.db2.gz ZHBAMZSUGUOINV-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820366352 599258974 /nfs/dbraw/zinc/25/89/74/599258974.db2.gz NSDYFEVFHVVOFR-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820366352 599258976 /nfs/dbraw/zinc/25/89/76/599258976.db2.gz NSDYFEVFHVVOFR-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cccc1-c1nnn[n-]1 ZINC000822109301 607297563 /nfs/dbraw/zinc/29/75/63/607297563.db2.gz PVBUQHWWYSDSSS-UHFFFAOYSA-N -1 3 382.336 2.107 20 5 GEBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cccc1-c1nn[n-]n1 ZINC000822109301 607297564 /nfs/dbraw/zinc/29/75/64/607297564.db2.gz PVBUQHWWYSDSSS-UHFFFAOYSA-N -1 3 382.336 2.107 20 5 GEBDHM COC(=O)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821661608 607305547 /nfs/dbraw/zinc/30/55/47/607305547.db2.gz QBQBDCXLZZLIKI-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM COC(=O)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821661608 607305548 /nfs/dbraw/zinc/30/55/48/607305548.db2.gz QBQBDCXLZZLIKI-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM COCCN(Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821690241 607305562 /nfs/dbraw/zinc/30/55/62/607305562.db2.gz BEUZRGVSTSINOT-UHFFFAOYSA-N -1 3 398.379 2.157 20 5 GEBDHM COCCN(Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821690241 607305563 /nfs/dbraw/zinc/30/55/63/607305563.db2.gz BEUZRGVSTSINOT-UHFFFAOYSA-N -1 3 398.379 2.157 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823651107 607331349 /nfs/dbraw/zinc/33/13/49/607331349.db2.gz GFAFLFGROFUIJG-JTQLQIEISA-N -1 3 377.430 2.027 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823651107 607331350 /nfs/dbraw/zinc/33/13/50/607331350.db2.gz GFAFLFGROFUIJG-JTQLQIEISA-N -1 3 377.430 2.027 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000738374525 598244417 /nfs/dbraw/zinc/24/44/17/598244417.db2.gz PZGYHQPJSMENGV-UHFFFAOYSA-N -1 3 377.368 2.010 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000738374525 598244418 /nfs/dbraw/zinc/24/44/18/598244418.db2.gz PZGYHQPJSMENGV-UHFFFAOYSA-N -1 3 377.368 2.010 20 5 GEBDHM O=[N+]([O-])c1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000738361128 598256602 /nfs/dbraw/zinc/25/66/02/598256602.db2.gz VBTXHAFOVDQMCM-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737282910 598289481 /nfs/dbraw/zinc/28/94/81/598289481.db2.gz KWBQNSFRAGGHIY-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737282910 598289482 /nfs/dbraw/zinc/28/94/82/598289482.db2.gz KWBQNSFRAGGHIY-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1nn(CCC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c(C)c1[N+](=O)[O-] ZINC000737513844 598326253 /nfs/dbraw/zinc/32/62/53/598326253.db2.gz WBXNTOLDFKZQLR-UHFFFAOYSA-N -1 3 390.429 2.295 20 5 GEBDHM Cc1nn(CCC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c(C)c1[N+](=O)[O-] ZINC000737513844 598326255 /nfs/dbraw/zinc/32/62/55/598326255.db2.gz WBXNTOLDFKZQLR-UHFFFAOYSA-N -1 3 390.429 2.295 20 5 GEBDHM COc1cccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737138375 598354226 /nfs/dbraw/zinc/35/42/26/598354226.db2.gz HBVADUWYDUPNBN-GFCCVEGCSA-N -1 3 396.411 2.117 20 5 GEBDHM COc1cccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737138375 598354228 /nfs/dbraw/zinc/35/42/28/598354228.db2.gz HBVADUWYDUPNBN-GFCCVEGCSA-N -1 3 396.411 2.117 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCCc2nnc3n2CCCCC3)c(-c2nnn[n-]2)c1 ZINC000738369602 598456935 /nfs/dbraw/zinc/45/69/35/598456935.db2.gz JTTHMGBHAGGTNB-UHFFFAOYSA-N -1 3 383.416 2.138 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCCc2nnc3n2CCCCC3)c(-c2nn[n-]n2)c1 ZINC000738369602 598456937 /nfs/dbraw/zinc/45/69/37/598456937.db2.gz JTTHMGBHAGGTNB-UHFFFAOYSA-N -1 3 383.416 2.138 20 5 GEBDHM Cc1cc([N+](=O)[O-])cnc1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737285834 598499107 /nfs/dbraw/zinc/49/91/07/598499107.db2.gz VWYQSROSGJDZPY-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM Cc1cc([N+](=O)[O-])cnc1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737285834 598499109 /nfs/dbraw/zinc/49/91/09/598499109.db2.gz VWYQSROSGJDZPY-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737943214 598650703 /nfs/dbraw/zinc/65/07/03/598650703.db2.gz QKGIMJUFOSHCRX-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737943214 598650704 /nfs/dbraw/zinc/65/07/04/598650704.db2.gz QKGIMJUFOSHCRX-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM Cc1csc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000737451412 598672426 /nfs/dbraw/zinc/67/24/26/598672426.db2.gz COCAHWKBOSKORO-LLVKDONJSA-N -1 3 386.441 2.255 20 5 GEBDHM Cc1csc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000737451412 598672427 /nfs/dbraw/zinc/67/24/27/598672427.db2.gz COCAHWKBOSKORO-LLVKDONJSA-N -1 3 386.441 2.255 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@](O)(c2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738370149 598676240 /nfs/dbraw/zinc/67/62/40/598676240.db2.gz QQELHNKDUYTKOA-CQSZACIVSA-N -1 3 395.301 2.032 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@](O)(c2ccccc2)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738370149 598676242 /nfs/dbraw/zinc/67/62/42/598676242.db2.gz QQELHNKDUYTKOA-CQSZACIVSA-N -1 3 395.301 2.032 20 5 GEBDHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738222225 598739076 /nfs/dbraw/zinc/73/90/76/598739076.db2.gz BXVFIFJJIOBOMP-UHFFFAOYSA-N -1 3 395.335 2.185 20 5 GEBDHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738222225 598739078 /nfs/dbraw/zinc/73/90/78/598739078.db2.gz BXVFIFJJIOBOMP-UHFFFAOYSA-N -1 3 395.335 2.185 20 5 GEBDHM O=[N+]([O-])c1c(NCCNc2ncccc2-c2nnn[n-]2)ccc2ncccc21 ZINC000738360282 598746461 /nfs/dbraw/zinc/74/64/61/598746461.db2.gz UVLWKJKOVNUSOA-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM O=[N+]([O-])c1c(NCCNc2ncccc2-c2nn[n-]n2)ccc2ncccc21 ZINC000738360282 598746462 /nfs/dbraw/zinc/74/64/62/598746462.db2.gz UVLWKJKOVNUSOA-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000738368641 598756542 /nfs/dbraw/zinc/75/65/42/598756542.db2.gz GYNYVPSGRBKFLQ-CQSZACIVSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000738368641 598756543 /nfs/dbraw/zinc/75/65/43/598756543.db2.gz GYNYVPSGRBKFLQ-CQSZACIVSA-N -1 3 387.787 2.401 20 5 GEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736168156 598778829 /nfs/dbraw/zinc/77/88/29/598778829.db2.gz IGRLQNSHJCPUJB-JTQLQIEISA-N -1 3 387.327 2.425 20 5 GEBDHM CCc1cc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)ncn1 ZINC000736676615 598785622 /nfs/dbraw/zinc/78/56/22/598785622.db2.gz QIDDJODHHNRVTO-CQSZACIVSA-N -1 3 395.427 2.208 20 5 GEBDHM CCc1cc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)ncn1 ZINC000736676615 598785624 /nfs/dbraw/zinc/78/56/24/598785624.db2.gz QIDDJODHHNRVTO-CQSZACIVSA-N -1 3 395.427 2.208 20 5 GEBDHM CCc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)ncn1 ZINC000736677347 598785884 /nfs/dbraw/zinc/78/58/84/598785884.db2.gz YCEWFRAQZPRTLV-ZDUSSCGKSA-N -1 3 395.427 2.208 20 5 GEBDHM CCc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)ncn1 ZINC000736677347 598785885 /nfs/dbraw/zinc/78/58/85/598785885.db2.gz YCEWFRAQZPRTLV-ZDUSSCGKSA-N -1 3 395.427 2.208 20 5 GEBDHM CC(=O)Nc1cccc(OCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000735488177 598795350 /nfs/dbraw/zinc/79/53/50/598795350.db2.gz FCHOFWHNFRVPRH-UHFFFAOYSA-N -1 3 383.368 2.224 20 5 GEBDHM CC(=O)Nc1cccc(OCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000735488177 598795351 /nfs/dbraw/zinc/79/53/51/598795351.db2.gz FCHOFWHNFRVPRH-UHFFFAOYSA-N -1 3 383.368 2.224 20 5 GEBDHM CNC(=O)c1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000736877536 598815607 /nfs/dbraw/zinc/81/56/07/598815607.db2.gz NCTSHUMIVYZIEP-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM CNC(=O)c1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000736877536 598815608 /nfs/dbraw/zinc/81/56/08/598815608.db2.gz NCTSHUMIVYZIEP-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM Cn1cc([C@H]2CCN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C2)cn1 ZINC000737602113 599297050 /nfs/dbraw/zinc/29/70/50/599297050.db2.gz DVDUDRHQXSAMKA-NSHDSACASA-N -1 3 391.395 2.051 20 5 GEBDHM Cn1cc([C@H]2CCN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)C2)cn1 ZINC000737602113 599297051 /nfs/dbraw/zinc/29/70/51/599297051.db2.gz DVDUDRHQXSAMKA-NSHDSACASA-N -1 3 391.395 2.051 20 5 GEBDHM COC(=O)c1cc(OCc2cc(-c3nnn[n-]3)ccc2OC)ccc1[N+](=O)[O-] ZINC000821668293 607378810 /nfs/dbraw/zinc/37/88/10/607378810.db2.gz ZFXRUYJOHHPNNE-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COC(=O)c1cc(OCc2cc(-c3nn[n-]n3)ccc2OC)ccc1[N+](=O)[O-] ZINC000821668293 607378812 /nfs/dbraw/zinc/37/88/12/607378812.db2.gz ZFXRUYJOHHPNNE-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409397 607379011 /nfs/dbraw/zinc/37/90/11/607379011.db2.gz XBWQJKZMZQVFPI-UHFFFAOYSA-N -1 3 381.348 2.134 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409397 607379013 /nfs/dbraw/zinc/37/90/13/607379013.db2.gz XBWQJKZMZQVFPI-UHFFFAOYSA-N -1 3 381.348 2.134 20 5 GEBDHM CNC(=O)C1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821631882 599503243 /nfs/dbraw/zinc/50/32/43/599503243.db2.gz WOEBIEBJEIKOFW-UHFFFAOYSA-N -1 3 396.411 2.040 20 5 GEBDHM CNC(=O)C1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821631882 599503245 /nfs/dbraw/zinc/50/32/45/599503245.db2.gz WOEBIEBJEIKOFW-UHFFFAOYSA-N -1 3 396.411 2.040 20 5 GEBDHM C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390823 599522216 /nfs/dbraw/zinc/52/22/16/599522216.db2.gz LMMBBZPPCNMGLL-JTQLQIEISA-N -1 3 396.363 2.037 20 5 GEBDHM C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390823 599522217 /nfs/dbraw/zinc/52/22/17/599522217.db2.gz LMMBBZPPCNMGLL-JTQLQIEISA-N -1 3 396.363 2.037 20 5 GEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822986946 599633006 /nfs/dbraw/zinc/63/30/06/599633006.db2.gz NLISWFDUJYKHFN-UHFFFAOYSA-N -1 3 396.289 2.019 20 5 GEBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822986946 599633007 /nfs/dbraw/zinc/63/30/07/599633007.db2.gz NLISWFDUJYKHFN-UHFFFAOYSA-N -1 3 396.289 2.019 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826211930 607446635 /nfs/dbraw/zinc/44/66/35/607446635.db2.gz ALOBXRGOKZPXGM-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826211930 607446636 /nfs/dbraw/zinc/44/66/36/607446636.db2.gz ALOBXRGOKZPXGM-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM Cc1nnc(-c2cccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c2)n1C ZINC000822505215 607470225 /nfs/dbraw/zinc/47/02/25/607470225.db2.gz CNPTWLMNNZPMES-UHFFFAOYSA-N -1 3 378.356 2.017 20 5 GEBDHM Cc1nnc(-c2cccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c2)n1C ZINC000822505215 607470226 /nfs/dbraw/zinc/47/02/26/607470226.db2.gz CNPTWLMNNZPMES-UHFFFAOYSA-N -1 3 378.356 2.017 20 5 GEBDHM O=C([O-])CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000833232246 601049913 /nfs/dbraw/zinc/04/99/13/601049913.db2.gz ZLRUZQNDTIHAQJ-UHFFFAOYSA-N -1 3 385.804 2.142 20 5 GEBDHM Cc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583696259 602316678 /nfs/dbraw/zinc/31/66/78/602316678.db2.gz LJFABXOLVNJKSX-UHFFFAOYSA-N -1 3 399.451 2.385 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2ncccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826500822 607564033 /nfs/dbraw/zinc/56/40/33/607564033.db2.gz NKXXFUVKFVGLBF-UHFFFAOYSA-N -1 3 396.289 2.075 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2ncccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826500822 607564034 /nfs/dbraw/zinc/56/40/34/607564034.db2.gz NKXXFUVKFVGLBF-UHFFFAOYSA-N -1 3 396.289 2.075 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826292871 607580621 /nfs/dbraw/zinc/58/06/21/607580621.db2.gz PPTMMZLSUJKASD-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826416605 607594591 /nfs/dbraw/zinc/59/45/91/607594591.db2.gz HSBMUECBKBHAPV-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM COc1ccc(COC(=O)CCNc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204808 607597321 /nfs/dbraw/zinc/59/73/21/607597321.db2.gz AICRIPVKQOCGFN-UHFFFAOYSA-N -1 3 398.379 2.329 20 5 GEBDHM COc1ccc(COC(=O)CCNc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204808 607597323 /nfs/dbraw/zinc/59/73/23/607597323.db2.gz AICRIPVKQOCGFN-UHFFFAOYSA-N -1 3 398.379 2.329 20 5 GEBDHM CN(CC1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1)C(=O)[O-] ZINC000739663135 602991570 /nfs/dbraw/zinc/99/15/70/602991570.db2.gz AYNGAFVFNIUAEM-UHFFFAOYSA-N -1 3 392.412 2.215 20 5 GEBDHM COc1ccc(COC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205831 607605917 /nfs/dbraw/zinc/60/59/17/607605917.db2.gz PHJZFAGYDKMYGK-UHFFFAOYSA-N -1 3 399.363 2.078 20 5 GEBDHM COc1ccc(COC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205831 607605919 /nfs/dbraw/zinc/60/59/19/607605919.db2.gz PHJZFAGYDKMYGK-UHFFFAOYSA-N -1 3 399.363 2.078 20 5 GEBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000826201594 607608927 /nfs/dbraw/zinc/60/89/27/607608927.db2.gz YQWVIMAZAXZGJZ-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC000826201594 607608928 /nfs/dbraw/zinc/60/89/28/607608928.db2.gz YQWVIMAZAXZGJZ-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826200198 607615622 /nfs/dbraw/zinc/61/56/22/607615622.db2.gz CLJRNZCDXFRFST-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM COc1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826200198 607615623 /nfs/dbraw/zinc/61/56/23/607615623.db2.gz CLJRNZCDXFRFST-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM C[C@@H](c1ccncc1)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824779981 607679791 /nfs/dbraw/zinc/67/97/91/607679791.db2.gz YYVMRQIOONKHPV-LBPRGKRZSA-N -1 3 395.427 2.202 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000833907162 605547750 /nfs/dbraw/zinc/54/77/50/605547750.db2.gz CEHLPJGWOOJROQ-KGLIPLIRSA-N -1 3 378.429 2.060 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819939521 606060349 /nfs/dbraw/zinc/06/03/49/606060349.db2.gz FLNSPAHXNPENJB-GFCCVEGCSA-N -1 3 389.416 2.268 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819939521 606060353 /nfs/dbraw/zinc/06/03/53/606060353.db2.gz FLNSPAHXNPENJB-GFCCVEGCSA-N -1 3 389.416 2.268 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823629638 606106477 /nfs/dbraw/zinc/10/64/77/606106477.db2.gz CTMAKBRUHDZQOT-HNNXBMFYSA-N -1 3 388.428 2.329 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823629638 606106480 /nfs/dbraw/zinc/10/64/80/606106480.db2.gz CTMAKBRUHDZQOT-HNNXBMFYSA-N -1 3 388.428 2.329 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822271405 606241870 /nfs/dbraw/zinc/24/18/70/606241870.db2.gz ZHQKFHCSPYKVEQ-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822271405 606241872 /nfs/dbraw/zinc/24/18/72/606241872.db2.gz ZHQKFHCSPYKVEQ-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM O=C1[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503114 606244011 /nfs/dbraw/zinc/24/40/11/606244011.db2.gz BQQFUMVOFZLAGQ-AWEZNQCLSA-N -1 3 397.420 2.004 20 5 GEBDHM O=C1[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503114 606244012 /nfs/dbraw/zinc/24/40/12/606244012.db2.gz BQQFUMVOFZLAGQ-AWEZNQCLSA-N -1 3 397.420 2.004 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508009 606341251 /nfs/dbraw/zinc/34/12/51/606341251.db2.gz LAQNCKSAWFTLRD-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508009 606341252 /nfs/dbraw/zinc/34/12/52/606341252.db2.gz LAQNCKSAWFTLRD-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648501 606375382 /nfs/dbraw/zinc/37/53/82/606375382.db2.gz LHJDSHSIWBWWIH-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648501 606375383 /nfs/dbraw/zinc/37/53/83/606375383.db2.gz LHJDSHSIWBWWIH-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ncccc3-c3nnn[n-]3)ccc2c1 ZINC000823643832 606461302 /nfs/dbraw/zinc/46/13/02/606461302.db2.gz CJWCSOKYHXIHOV-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ncccc3-c3nn[n-]n3)ccc2c1 ZINC000823643832 606461303 /nfs/dbraw/zinc/46/13/03/606461303.db2.gz CJWCSOKYHXIHOV-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM CN(CCc1ccncc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821607655 606462939 /nfs/dbraw/zinc/46/29/39/606462939.db2.gz YHCKHMXQFMRDNE-UHFFFAOYSA-N -1 3 376.380 2.397 20 5 GEBDHM CN(CCc1ccncc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821607655 606462941 /nfs/dbraw/zinc/46/29/41/606462941.db2.gz YHCKHMXQFMRDNE-UHFFFAOYSA-N -1 3 376.380 2.397 20 5 GEBDHM O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2nnn[n-]2)cs1 ZINC000823299266 606486218 /nfs/dbraw/zinc/48/62/18/606486218.db2.gz OZAODQLPZLXBGX-UHFFFAOYSA-N -1 3 388.365 2.250 20 5 GEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000823104631 606594871 /nfs/dbraw/zinc/59/48/71/606594871.db2.gz ZPVBCYGFBLTIDE-UHFFFAOYSA-N -1 3 390.363 2.346 20 5 GEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000823104631 606594873 /nfs/dbraw/zinc/59/48/73/606594873.db2.gz ZPVBCYGFBLTIDE-UHFFFAOYSA-N -1 3 390.363 2.346 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821845226 606666431 /nfs/dbraw/zinc/66/64/31/606666431.db2.gz DAEMMJZZYXDJDC-UHFFFAOYSA-N -1 3 377.263 2.281 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821845226 606666432 /nfs/dbraw/zinc/66/64/32/606666432.db2.gz DAEMMJZZYXDJDC-UHFFFAOYSA-N -1 3 377.263 2.281 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823647171 606739003 /nfs/dbraw/zinc/73/90/03/606739003.db2.gz HOOHKPFKVZBIJM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM C[C@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455038 606786718 /nfs/dbraw/zinc/78/67/18/606786718.db2.gz BHDGKADSXUPGLC-VIFPVBQESA-N -1 3 381.352 2.279 20 5 GEBDHM C[C@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455038 606786719 /nfs/dbraw/zinc/78/67/19/606786719.db2.gz BHDGKADSXUPGLC-VIFPVBQESA-N -1 3 381.352 2.279 20 5 GEBDHM Cc1nc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822449527 606813247 /nfs/dbraw/zinc/81/32/47/606813247.db2.gz CMLUWBMTDRTJGM-UHFFFAOYSA-N -1 3 385.409 2.350 20 5 GEBDHM Cc1nc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449527 606813249 /nfs/dbraw/zinc/81/32/49/606813249.db2.gz CMLUWBMTDRTJGM-UHFFFAOYSA-N -1 3 385.409 2.350 20 5 GEBDHM Cc1nn(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822501186 606984836 /nfs/dbraw/zinc/98/48/36/606984836.db2.gz ZQYQONAGMKMLEZ-UHFFFAOYSA-N -1 3 378.352 2.072 20 5 GEBDHM Cc1nn(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822501186 606984838 /nfs/dbraw/zinc/98/48/38/606984838.db2.gz ZQYQONAGMKMLEZ-UHFFFAOYSA-N -1 3 378.352 2.072 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823136042 607244050 /nfs/dbraw/zinc/24/40/50/607244050.db2.gz HJBGEOMXSZJETQ-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823136042 607244051 /nfs/dbraw/zinc/24/40/51/607244051.db2.gz HJBGEOMXSZJETQ-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM CN(CCc1nccs1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825950510 607810825 /nfs/dbraw/zinc/81/08/25/607810825.db2.gz QFHWMIVAGJNTCH-UHFFFAOYSA-N -1 3 382.409 2.459 20 5 GEBDHM CN(CCc1nccs1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825950510 607810826 /nfs/dbraw/zinc/81/08/26/607810826.db2.gz QFHWMIVAGJNTCH-UHFFFAOYSA-N -1 3 382.409 2.459 20 5 GEBDHM CCCOc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825338497 607862633 /nfs/dbraw/zinc/86/26/33/607862633.db2.gz AGJBFFXBECNSIZ-UHFFFAOYSA-N -1 3 375.126 2.168 20 5 GEBDHM CCCOc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825338497 607862634 /nfs/dbraw/zinc/86/26/34/607862634.db2.gz AGJBFFXBECNSIZ-UHFFFAOYSA-N -1 3 375.126 2.168 20 5 GEBDHM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2C)c1-c1nnn[n-]1 ZINC000826272592 607866683 /nfs/dbraw/zinc/86/66/83/607866683.db2.gz RGAIJHPJXRWBPN-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(C)c(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826285170 607869496 /nfs/dbraw/zinc/86/94/96/607869496.db2.gz RDBPBGWCRWRKHM-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(C)c(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826285170 607869497 /nfs/dbraw/zinc/86/94/97/607869497.db2.gz RDBPBGWCRWRKHM-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM CCc1cccc(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000825722438 607876251 /nfs/dbraw/zinc/87/62/51/607876251.db2.gz GIICNPYVPADVGI-CYBMUJFWSA-N -1 3 385.380 2.156 20 5 GEBDHM CCc1cccc(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000825722438 607876252 /nfs/dbraw/zinc/87/62/52/607876252.db2.gz GIICNPYVPADVGI-CYBMUJFWSA-N -1 3 385.380 2.156 20 5 GEBDHM Cc1cccc(C)c1OC[C@@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826296883 607876500 /nfs/dbraw/zinc/87/65/00/607876500.db2.gz NIZMHINYBBUMQQ-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cccc(C)c1OC[C@@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826296883 607876501 /nfs/dbraw/zinc/87/65/01/607876501.db2.gz NIZMHINYBBUMQQ-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234153 607947198 /nfs/dbraw/zinc/94/71/98/607947198.db2.gz JXLLRQNLYSAPDZ-UHFFFAOYSA-N -1 3 395.335 2.194 20 5 GEBDHM Cc1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234153 607947199 /nfs/dbraw/zinc/94/71/99/607947199.db2.gz JXLLRQNLYSAPDZ-UHFFFAOYSA-N -1 3 395.335 2.194 20 5 GEBDHM C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824497949 607980174 /nfs/dbraw/zinc/98/01/74/607980174.db2.gz AQFWKGQGPSHBEH-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824497949 607980175 /nfs/dbraw/zinc/98/01/75/607980175.db2.gz AQFWKGQGPSHBEH-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000824739710 608002286 /nfs/dbraw/zinc/00/22/86/608002286.db2.gz ZRDWHOZGLGJWDX-VIFPVBQESA-N -1 3 394.351 2.057 20 5 GEBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736292947 608051805 /nfs/dbraw/zinc/05/18/05/608051805.db2.gz RUAVCABUHSTZCU-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736292947 608051806 /nfs/dbraw/zinc/05/18/06/608051806.db2.gz RUAVCABUHSTZCU-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1Cc1ccccc1 ZINC000826477880 608053430 /nfs/dbraw/zinc/05/34/30/608053430.db2.gz OCCAGLUPJJXRSY-KRWDZBQOSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1Cc1ccccc1 ZINC000826477880 608053431 /nfs/dbraw/zinc/05/34/31/608053431.db2.gz OCCAGLUPJJXRSY-KRWDZBQOSA-N -1 3 393.407 2.378 20 5 GEBDHM O=c1ccc([N+](=O)[O-])cn1CCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826501648 608077291 /nfs/dbraw/zinc/07/72/91/608077291.db2.gz AMEHDAZRPBYIBM-UHFFFAOYSA-N -1 3 399.436 2.003 20 5 GEBDHM O=c1ccc([N+](=O)[O-])cn1CCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826501648 608077292 /nfs/dbraw/zinc/07/72/92/608077292.db2.gz AMEHDAZRPBYIBM-UHFFFAOYSA-N -1 3 399.436 2.003 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826418547 608121546 /nfs/dbraw/zinc/12/15/46/608121546.db2.gz LQZDTWFEUONDIZ-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826418547 608121547 /nfs/dbraw/zinc/12/15/47/608121547.db2.gz LQZDTWFEUONDIZ-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000824109657 608152853 /nfs/dbraw/zinc/15/28/53/608152853.db2.gz VEHYWGRDOHFAMW-ZDUSSCGKSA-N -1 3 389.416 2.490 20 5 GEBDHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000824109657 608152855 /nfs/dbraw/zinc/15/28/55/608152855.db2.gz VEHYWGRDOHFAMW-ZDUSSCGKSA-N -1 3 389.416 2.490 20 5 GEBDHM CC(=O)NCCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823994444 608160437 /nfs/dbraw/zinc/16/04/37/608160437.db2.gz IBIUMETUTOUCIA-UHFFFAOYSA-N -1 3 395.807 2.063 20 5 GEBDHM CC(=O)NCCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823994444 608160438 /nfs/dbraw/zinc/16/04/38/608160438.db2.gz IBIUMETUTOUCIA-UHFFFAOYSA-N -1 3 395.807 2.063 20 5 GEBDHM O=C(CCc1nccs1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409315 608161603 /nfs/dbraw/zinc/16/16/03/608161603.db2.gz RFWWLJSJLJGTBM-UHFFFAOYSA-N -1 3 379.789 2.456 20 5 GEBDHM O=C(CCc1nccs1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409315 608161605 /nfs/dbraw/zinc/16/16/05/608161605.db2.gz RFWWLJSJLJGTBM-UHFFFAOYSA-N -1 3 379.789 2.456 20 5 GEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000825792574 608173844 /nfs/dbraw/zinc/17/38/44/608173844.db2.gz AUXASUSHCYSTRX-UHFFFAOYSA-N -1 3 392.379 2.326 20 5 GEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000825792574 608173845 /nfs/dbraw/zinc/17/38/45/608173845.db2.gz AUXASUSHCYSTRX-UHFFFAOYSA-N -1 3 392.379 2.326 20 5 GEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000825792947 608176058 /nfs/dbraw/zinc/17/60/58/608176058.db2.gz GWSBCPDIGCBSSI-UHFFFAOYSA-N -1 3 393.367 2.100 20 5 GEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000825792947 608176060 /nfs/dbraw/zinc/17/60/60/608176060.db2.gz GWSBCPDIGCBSSI-UHFFFAOYSA-N -1 3 393.367 2.100 20 5 GEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000825796591 608176316 /nfs/dbraw/zinc/17/63/16/608176316.db2.gz IWSASLYDXGFVLB-UHFFFAOYSA-N -1 3 378.352 2.397 20 5 GEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000825796591 608176317 /nfs/dbraw/zinc/17/63/17/608176317.db2.gz IWSASLYDXGFVLB-UHFFFAOYSA-N -1 3 378.352 2.397 20 5 GEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824723893 608182503 /nfs/dbraw/zinc/18/25/03/608182503.db2.gz WJFBPRRQMDQZKW-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824723893 608182504 /nfs/dbraw/zinc/18/25/04/608182504.db2.gz WJFBPRRQMDQZKW-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824721458 608183539 /nfs/dbraw/zinc/18/35/39/608183539.db2.gz AQMVLDVKPBPDGU-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824721458 608183540 /nfs/dbraw/zinc/18/35/40/608183540.db2.gz AQMVLDVKPBPDGU-SNVBAGLBSA-N -1 3 397.347 2.464 20 5 GEBDHM CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC12CCCCC2 ZINC000823981338 608231648 /nfs/dbraw/zinc/23/16/48/608231648.db2.gz MTRFUAAEQPAHQV-UHFFFAOYSA-N -1 3 385.428 2.146 20 5 GEBDHM CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC12CCCCC2 ZINC000823981338 608231650 /nfs/dbraw/zinc/23/16/50/608231650.db2.gz MTRFUAAEQPAHQV-UHFFFAOYSA-N -1 3 385.428 2.146 20 5 GEBDHM Cc1c(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cccc1[N+](=O)[O-] ZINC000826242678 608329039 /nfs/dbraw/zinc/32/90/39/608329039.db2.gz APDGBGWTTAGXOX-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1c(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cccc1[N+](=O)[O-] ZINC000826242678 608329041 /nfs/dbraw/zinc/32/90/41/608329041.db2.gz APDGBGWTTAGXOX-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000826172782 608351493 /nfs/dbraw/zinc/35/14/93/608351493.db2.gz XBSDVKAANCMCRH-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000826172782 608351495 /nfs/dbraw/zinc/35/14/95/608351495.db2.gz XBSDVKAANCMCRH-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3CO)cc(-c3nnn[n-]3)c2c1 ZINC000826499747 608372059 /nfs/dbraw/zinc/37/20/59/608372059.db2.gz VOCLXPVHAZPSQU-UHFFFAOYSA-N -1 3 377.364 2.428 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3CO)cc(-c3nn[n-]n3)c2c1 ZINC000826499747 608372061 /nfs/dbraw/zinc/37/20/61/608372061.db2.gz VOCLXPVHAZPSQU-UHFFFAOYSA-N -1 3 377.364 2.428 20 5 GEBDHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000824499922 608417583 /nfs/dbraw/zinc/41/75/83/608417583.db2.gz SQDKRTIVUVTBFB-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000824499922 608417585 /nfs/dbraw/zinc/41/75/85/608417585.db2.gz SQDKRTIVUVTBFB-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826498759 608668621 /nfs/dbraw/zinc/66/86/21/608668621.db2.gz IPKNAKJJXQOWTO-NSHDSACASA-N -1 3 381.400 2.085 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826498759 608668624 /nfs/dbraw/zinc/66/86/24/608668624.db2.gz IPKNAKJJXQOWTO-NSHDSACASA-N -1 3 381.400 2.085 20 5 GEBDHM CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000825669456 609169868 /nfs/dbraw/zinc/16/98/68/609169868.db2.gz YEAARFJOCMZGDC-UHFFFAOYSA-N -1 3 388.409 2.181 20 5 GEBDHM CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000825669456 609169870 /nfs/dbraw/zinc/16/98/70/609169870.db2.gz YEAARFJOCMZGDC-UHFFFAOYSA-N -1 3 388.409 2.181 20 5 GEBDHM Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826296041 609283516 /nfs/dbraw/zinc/28/35/16/609283516.db2.gz HOJVBFNIUBGHCF-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826296041 609283517 /nfs/dbraw/zinc/28/35/17/609283517.db2.gz HOJVBFNIUBGHCF-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477963 609409786 /nfs/dbraw/zinc/40/97/86/609409786.db2.gz QIYSJBRBKQAVPW-CQSZACIVSA-N -1 3 397.420 2.458 20 5 GEBDHM O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477963 609409789 /nfs/dbraw/zinc/40/97/89/609409789.db2.gz QIYSJBRBKQAVPW-CQSZACIVSA-N -1 3 397.420 2.458 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000826242915 609492696 /nfs/dbraw/zinc/49/26/96/609492696.db2.gz LYHJSWXHLDEARY-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM O=C(c1ccccc1)N1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000826474390 609607599 /nfs/dbraw/zinc/60/75/99/609607599.db2.gz NPEJSCFAKJVLRN-UHFFFAOYSA-N -1 3 393.407 2.492 20 5 GEBDHM O=C(c1ccccc1)N1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000826474390 609607600 /nfs/dbraw/zinc/60/76/00/609607600.db2.gz NPEJSCFAKJVLRN-UHFFFAOYSA-N -1 3 393.407 2.492 20 5 GEBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000446965015 649991196 /nfs/dbraw/zinc/99/11/96/649991196.db2.gz HEDHFCDOSCRQBA-NSHDSACASA-N -1 3 384.332 2.090 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000451770566 650140658 /nfs/dbraw/zinc/14/06/58/650140658.db2.gz DKAUEOLAMVSIJK-UHFFFAOYSA-N -1 3 375.472 2.034 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000462357900 650477161 /nfs/dbraw/zinc/47/71/61/650477161.db2.gz KEJGLBWORNTXJR-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCC2)c(Br)c1 ZINC000481218472 650641535 /nfs/dbraw/zinc/64/15/35/650641535.db2.gz NQAFJZOSNLGTBN-JTQLQIEISA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCOCC2CC2)c1 ZINC000158115146 644140506 /nfs/dbraw/zinc/14/05/06/644140506.db2.gz OMCTVTNCMPWNEA-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189735 645315451 /nfs/dbraw/zinc/31/54/51/645315451.db2.gz WWIJCQQXZJVDOE-NSHDSACASA-N -1 3 392.275 2.120 20 5 GEBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000546640956 651005805 /nfs/dbraw/zinc/00/58/05/651005805.db2.gz KCUGWVQWJJNFAO-ZDUSSCGKSA-N -1 3 376.456 2.365 20 5 GEBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000546640955 651005860 /nfs/dbraw/zinc/00/58/60/651005860.db2.gz KCUGWVQWJJNFAO-CYBMUJFWSA-N -1 3 376.456 2.365 20 5 GEBDHM C[C@H]1CN(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253602784 645571003 /nfs/dbraw/zinc/57/10/03/645571003.db2.gz FNNBDGBQSWDVGR-RYUDHWBXSA-N -1 3 391.877 2.026 20 5 GEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000288216297 646911108 /nfs/dbraw/zinc/91/11/08/646911108.db2.gz RBVSWUBHXYHBDA-SECBINFHSA-N -1 3 384.439 2.358 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000416471484 648137198 /nfs/dbraw/zinc/13/71/98/648137198.db2.gz KNRWJGVAWKQZNJ-UMNHJUIQSA-N -1 3 380.344 2.459 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000416471482 648137268 /nfs/dbraw/zinc/13/72/68/648137268.db2.gz KNRWJGVAWKQZNJ-FOGDFJRCSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(C)n1 ZINC000416478525 648140661 /nfs/dbraw/zinc/14/06/61/648140661.db2.gz BUZQDXOQMPRNCP-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](O)C(C)C ZINC000416635038 648195239 /nfs/dbraw/zinc/19/52/39/648195239.db2.gz ZMOQURNGEVZIID-AAEUAGOBSA-N -1 3 395.275 2.431 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000416661036 648205156 /nfs/dbraw/zinc/20/51/56/648205156.db2.gz QFFQSUDHKHSLQG-UWVGGRQHSA-N -1 3 382.360 2.443 20 5 GEBDHM O=C(Nc1cc2ccc(Br)cn2n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000509080844 648267218 /nfs/dbraw/zinc/26/72/18/648267218.db2.gz NAPFXOGGQKHQNA-UHFFFAOYSA-N -1 3 378.142 2.358 20 5 GEBDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000425209028 648670595 /nfs/dbraw/zinc/67/05/95/648670595.db2.gz SUZZDKSKLCMJCF-SECBINFHSA-N -1 3 385.423 2.019 20 5 GEBDHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000431849068 648772791 /nfs/dbraw/zinc/77/27/91/648772791.db2.gz QDKPDKWUCZYUMU-QMTHXVAHSA-N -1 3 384.435 2.485 20 5 GEBDHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443111222 648862701 /nfs/dbraw/zinc/86/27/01/648862701.db2.gz CRQJJBARXJTWRX-GFCCVEGCSA-N -1 3 395.275 2.433 20 5 GEBDHM CSC[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443239639 648868360 /nfs/dbraw/zinc/86/83/60/648868360.db2.gz IBDWKXXNOPFPOC-MRVPVSSYSA-N -1 3 388.389 2.006 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c(F)c1 ZINC000443270393 648870384 /nfs/dbraw/zinc/87/03/84/648870384.db2.gz ICZNTDSWTIPMIP-LBPRGKRZSA-N -1 3 376.312 2.024 20 5 GEBDHM Cc1cnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000443884792 648889668 /nfs/dbraw/zinc/88/96/68/648889668.db2.gz YVLYPDOVJRFCCY-UHFFFAOYSA-N -1 3 376.847 2.404 20 5 GEBDHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000559156752 651292203 /nfs/dbraw/zinc/29/22/03/651292203.db2.gz URTZRNKYFLJTJT-NOZJJQNGSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c(F)c1 ZINC000611019622 651700556 /nfs/dbraw/zinc/70/05/56/651700556.db2.gz SNMFDRPWBMMKRL-CYBMUJFWSA-N -1 3 376.312 2.024 20 5 GEBDHM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000735920446 651802542 /nfs/dbraw/zinc/80/25/42/651802542.db2.gz WEZNPXQPNIEURF-UHFFFAOYSA-N -1 3 391.833 2.146 20 5 GEBDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000580204775 652370788 /nfs/dbraw/zinc/37/07/88/652370788.db2.gz DHOBTGOUAURTHZ-JOYOIKCWSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000585708057 652534469 /nfs/dbraw/zinc/53/44/69/652534469.db2.gz MUQHRJLTBBULOJ-GWCFXTLKSA-N -1 3 384.376 2.438 20 5 GEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000759169647 652565814 /nfs/dbraw/zinc/56/58/14/652565814.db2.gz UEZWYLAMOKTHRS-UHFFFAOYSA-N -1 3 378.288 2.194 20 5 GEBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000593525693 652623981 /nfs/dbraw/zinc/62/39/81/652623981.db2.gz WFWLGPUTKPEOLL-CQSZACIVSA-N -1 3 384.845 2.224 20 5 GEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1Br ZINC000760872235 652626779 /nfs/dbraw/zinc/62/67/79/652626779.db2.gz DUPHESGMKWXPGN-UHFFFAOYSA-N -1 3 394.107 2.424 20 5 GEBDHM CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594808620 652684472 /nfs/dbraw/zinc/68/44/72/652684472.db2.gz OHUJNRJHSJLFOZ-SUHUHFCYSA-N -1 3 392.861 2.093 20 5 GEBDHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000762340100 652686777 /nfs/dbraw/zinc/68/67/77/652686777.db2.gz QMZMWEIHWFDYQI-LDYMZIIASA-N -1 3 379.232 2.061 20 5 GEBDHM CC(C)(C)N1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000595360225 652714697 /nfs/dbraw/zinc/71/46/97/652714697.db2.gz BHTZKLFFLWGDNC-JTQLQIEISA-N -1 3 389.861 2.174 20 5 GEBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000770703320 653221556 /nfs/dbraw/zinc/22/15/56/653221556.db2.gz CLRSZFCLQMPAIU-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCn3ccnc3C2)c(Cl)cc1Cl ZINC000809833620 653306511 /nfs/dbraw/zinc/30/65/11/653306511.db2.gz KODKNHTVTMZOAY-QMMMGPOBSA-N -1 3 391.236 2.391 20 5 GEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000775478066 653314595 /nfs/dbraw/zinc/31/45/95/653314595.db2.gz NJNQCAGRKOBPCE-UHFFFAOYSA-N -1 3 376.188 2.465 20 5 GEBDHM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000815094507 653651498 /nfs/dbraw/zinc/65/14/98/653651498.db2.gz KZJZCZJJYFHFLE-ZANVPECISA-N -1 3 393.259 2.187 20 5 GEBDHM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000882697807 653798515 /nfs/dbraw/zinc/79/85/15/653798515.db2.gz GROBBMRMMHYHMA-DTORHVGOSA-N -1 3 379.232 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c1 ZINC000795278883 653942239 /nfs/dbraw/zinc/94/22/39/653942239.db2.gz URKMTSKVRYOPHW-SNVBAGLBSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000848465115 653979076 /nfs/dbraw/zinc/97/90/76/653979076.db2.gz LGHOLUJBHUFPEM-SNVBAGLBSA-N -1 3 384.435 2.375 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(OC)OC ZINC000849405538 654024823 /nfs/dbraw/zinc/02/48/23/654024823.db2.gz JVPBJSVLQOZKTP-VIFPVBQESA-N -1 3 386.348 2.289 20 5 GEBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CO1 ZINC000849413201 654026957 /nfs/dbraw/zinc/02/69/57/654026957.db2.gz GNAIGLZXKMQZJG-QMMMGPOBSA-N -1 3 379.232 2.203 20 5 GEBDHM Nc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000800871474 654163228 /nfs/dbraw/zinc/16/32/28/654163228.db2.gz ADAIDODOHQCIFQ-UHFFFAOYSA-N -1 3 388.808 2.360 20 5 GEBDHM CC[C@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000832130499 654238002 /nfs/dbraw/zinc/23/80/02/654238002.db2.gz YZTGUAXBPAEQNV-GFCCVEGCSA-N -1 3 381.248 2.451 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@]1(C)CC1(Cl)Cl ZINC000832148984 654240231 /nfs/dbraw/zinc/24/02/31/654240231.db2.gz UFVAUGLCICRZGQ-GFCCVEGCSA-N -1 3 397.236 2.244 20 5 GEBDHM Nc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000804565825 654314212 /nfs/dbraw/zinc/31/42/12/654314212.db2.gz FHJVECKLUGMVNV-UHFFFAOYSA-N -1 3 376.847 2.282 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COC[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000908411234 654627532 /nfs/dbraw/zinc/62/75/32/654627532.db2.gz QGRILLQYNVPOFM-PWSUYJOCSA-N -1 3 380.344 2.317 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1 ZINC000053671632 531769040 /nfs/dbraw/zinc/76/90/40/531769040.db2.gz UMOFTJSEHXRBTD-UHFFFAOYSA-N -1 3 387.776 2.304 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c(Cl)c1 ZINC000055989484 531801547 /nfs/dbraw/zinc/80/15/47/531801547.db2.gz PUKQKBRMHVOGEB-LBPRGKRZSA-N -1 3 378.834 2.112 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000055954600 531800299 /nfs/dbraw/zinc/80/02/99/531800299.db2.gz NMCPPCWSONLZNV-LLVKDONJSA-N -1 3 384.797 2.367 20 5 GEBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163349732 531857781 /nfs/dbraw/zinc/85/77/81/531857781.db2.gz JRQAGBRDJHXAGM-JTQLQIEISA-N -1 3 381.376 2.234 20 5 GEBDHM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[S@](C)=O ZINC000163488809 531858249 /nfs/dbraw/zinc/85/82/49/531858249.db2.gz SKDKNCFONZSSKK-JRSYYBBYSA-N -1 3 388.389 2.049 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000122829684 532083889 /nfs/dbraw/zinc/08/38/89/532083889.db2.gz NAKKFUVNQOXHRG-CQSZACIVSA-N -1 3 383.495 2.416 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nnc2ccccn21 ZINC000176552909 532140670 /nfs/dbraw/zinc/14/06/70/532140670.db2.gz JORUIGLOLFSDJP-VIFPVBQESA-N -1 3 381.801 2.330 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000134051766 532248998 /nfs/dbraw/zinc/24/89/98/532248998.db2.gz NQSKYWXTHNAJIC-SKDRFNHKSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)cc1 ZINC000180789333 532280590 /nfs/dbraw/zinc/28/05/90/532280590.db2.gz HBAJDGBBAKHONC-UHFFFAOYSA-N -1 3 380.773 2.025 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CCCC2)c(C(F)(F)F)c1 ZINC000185255113 532337404 /nfs/dbraw/zinc/33/74/04/532337404.db2.gz NMVIAFIRJZZAAH-UHFFFAOYSA-N -1 3 382.360 2.445 20 5 GEBDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000425188395 532370747 /nfs/dbraw/zinc/37/07/47/532370747.db2.gz IQLLTZDGGWSRFF-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000464182895 532392480 /nfs/dbraw/zinc/39/24/80/532392480.db2.gz GVRPYKAIPUGNDH-UHFFFAOYSA-N -1 3 384.797 2.418 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cn2c(n1)SCC2 ZINC000466555115 532430369 /nfs/dbraw/zinc/43/03/69/532430369.db2.gz JZKVHABSCFWYMA-UHFFFAOYSA-N -1 3 388.858 2.071 20 5 GEBDHM CCn1c(C)nc([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000561683718 532446420 /nfs/dbraw/zinc/44/64/20/532446420.db2.gz OJCXUTMOKNOMRG-UHFFFAOYSA-N -1 3 393.878 2.225 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)nc1 ZINC000593612728 532489999 /nfs/dbraw/zinc/48/99/99/532489999.db2.gz NJMISSRJTKBHBB-GFCCVEGCSA-N -1 3 381.435 2.212 20 5 GEBDHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594479068 532509209 /nfs/dbraw/zinc/50/92/09/532509209.db2.gz NRWALIGXTHNMET-SNVBAGLBSA-N -1 3 378.422 2.472 20 5 GEBDHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594479067 532509295 /nfs/dbraw/zinc/50/92/95/532509295.db2.gz NRWALIGXTHNMET-JTQLQIEISA-N -1 3 378.422 2.472 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000594862402 532536711 /nfs/dbraw/zinc/53/67/11/532536711.db2.gz CSNRICPSPQFKIM-VXGBXAGGSA-N -1 3 380.344 2.195 20 5 GEBDHM CC(C)(O)CON=C([O-])Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296671809 532533031 /nfs/dbraw/zinc/53/30/31/532533031.db2.gz HQWCSLOIUPBVKP-UHFFFAOYSA-N -1 3 395.153 2.023 20 5 GEBDHM CC(C)(O)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296671809 532533034 /nfs/dbraw/zinc/53/30/34/532533034.db2.gz HQWCSLOIUPBVKP-UHFFFAOYSA-N -1 3 395.153 2.023 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F ZINC000434772987 532602394 /nfs/dbraw/zinc/60/23/94/532602394.db2.gz HHIRZDJUVPSRNB-UHFFFAOYSA-N -1 3 394.730 2.444 20 5 GEBDHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000435630085 532623728 /nfs/dbraw/zinc/62/37/28/532623728.db2.gz ZHUIEDNBZLSDPW-ZJUUUORDSA-N -1 3 376.818 2.258 20 5 GEBDHM NC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000530825781 532630194 /nfs/dbraw/zinc/63/01/94/532630194.db2.gz UKZGRVAWBGFQMJ-UHFFFAOYSA-N -1 3 384.801 2.217 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1)OCCO2 ZINC000477131559 532647099 /nfs/dbraw/zinc/64/70/99/532647099.db2.gz HMCYLTZAYAMMOJ-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000285748383 532704118 /nfs/dbraw/zinc/70/41/18/532704118.db2.gz WIXURGDNPNQCSA-UWVGGRQHSA-N -1 3 393.259 2.308 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000266207131 532706721 /nfs/dbraw/zinc/70/67/21/532706721.db2.gz PQECOTTYWWBNBL-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM Cc1cnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000266230539 532711244 /nfs/dbraw/zinc/71/12/44/532711244.db2.gz UEDMSMRPSDDEGW-UHFFFAOYSA-N -1 3 382.467 2.307 20 5 GEBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443299893 532744619 /nfs/dbraw/zinc/74/46/19/532744619.db2.gz JSYSCIYBXWMQSA-LBPRGKRZSA-N -1 3 381.248 2.187 20 5 GEBDHM O=C(NCCNc1ncc(Br)cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000301682229 532758157 /nfs/dbraw/zinc/75/81/57/532758157.db2.gz KDPACDLSRGAYIQ-UHFFFAOYSA-N -1 3 381.186 2.300 20 5 GEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000451637306 532769207 /nfs/dbraw/zinc/76/92/07/532769207.db2.gz CZNDRNVHWNXYBP-NSHDSACASA-N -1 3 381.248 2.451 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000271276270 532806296 /nfs/dbraw/zinc/80/62/96/532806296.db2.gz PMULIMLZRCXJCQ-PSASIEDQSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000330637088 532823630 /nfs/dbraw/zinc/82/36/30/532823630.db2.gz NXYPXINQVIPTFA-NXEZZACHSA-N -1 3 393.259 2.451 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000275034108 532861802 /nfs/dbraw/zinc/86/18/02/532861802.db2.gz CSVZROHLELYNTQ-LLVKDONJSA-N -1 3 378.422 2.066 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c1 ZINC000275144602 532866368 /nfs/dbraw/zinc/86/63/68/532866368.db2.gz FHJVULAHBQSKRQ-RNCFNFMXSA-N -1 3 393.259 2.187 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000416399668 532876027 /nfs/dbraw/zinc/87/60/27/532876027.db2.gz ICBAQLYEOSISGA-LLVKDONJSA-N -1 3 385.423 2.268 20 5 GEBDHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C ZINC000416459440 532878143 /nfs/dbraw/zinc/87/81/43/532878143.db2.gz SODSABUCJOKCII-ONGXEEELSA-N -1 3 381.376 2.375 20 5 GEBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276209036 532891228 /nfs/dbraw/zinc/89/12/28/532891228.db2.gz KVPSTQQPLDOMFU-STQMWFEESA-N -1 3 388.467 2.334 20 5 GEBDHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000366808603 532921278 /nfs/dbraw/zinc/92/12/78/532921278.db2.gz UXJPLUJCRJWARE-LBPRGKRZSA-N -1 3 381.435 2.433 20 5 GEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000293875381 532932725 /nfs/dbraw/zinc/93/27/25/532932725.db2.gz SXPXTZQIWBIQMB-NSHDSACASA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000294178161 532936538 /nfs/dbraw/zinc/93/65/38/532936538.db2.gz SIXJPAYPIRBMAW-QMMMGPOBSA-N -1 3 378.332 2.387 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C2CC2)ccc1Br ZINC000371217206 532947306 /nfs/dbraw/zinc/94/73/06/532947306.db2.gz WMWFYUIXHUIPAB-AAEUAGOBSA-N -1 3 391.243 2.203 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737924358 598892598 /nfs/dbraw/zinc/89/25/98/598892598.db2.gz BUTABPLXCCLKKR-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737924358 598892600 /nfs/dbraw/zinc/89/26/00/598892600.db2.gz BUTABPLXCCLKKR-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736144014 598915761 /nfs/dbraw/zinc/91/57/61/598915761.db2.gz XAERLBURXGHIDB-MRXNPFEDSA-N -1 3 376.323 2.373 20 5 GEBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736144014 598915763 /nfs/dbraw/zinc/91/57/63/598915763.db2.gz XAERLBURXGHIDB-MRXNPFEDSA-N -1 3 376.323 2.373 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1c1ccccc1 ZINC000738294580 598915909 /nfs/dbraw/zinc/91/59/09/598915909.db2.gz DOVCQYCJGFAZCL-INIZCTEOSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1c1ccccc1 ZINC000738294580 598915910 /nfs/dbraw/zinc/91/59/10/598915910.db2.gz DOVCQYCJGFAZCL-INIZCTEOSA-N -1 3 379.380 2.382 20 5 GEBDHM Cc1c(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cccc1-c1nnn[n-]1 ZINC000822116324 607257316 /nfs/dbraw/zinc/25/73/16/607257316.db2.gz PMXXPAFTSYFBPY-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM Cc1c(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cccc1-c1nn[n-]n1 ZINC000822116324 607257317 /nfs/dbraw/zinc/25/73/17/607257317.db2.gz PMXXPAFTSYFBPY-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820774464 599044030 /nfs/dbraw/zinc/04/40/30/599044030.db2.gz DCMWTKLFZSGJBY-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820774464 599044033 /nfs/dbraw/zinc/04/40/33/599044033.db2.gz DCMWTKLFZSGJBY-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000737221490 599083619 /nfs/dbraw/zinc/08/36/19/599083619.db2.gz LALVZNQOQUPQEK-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000737221490 599083622 /nfs/dbraw/zinc/08/36/22/599083622.db2.gz LALVZNQOQUPQEK-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000738370022 599118789 /nfs/dbraw/zinc/11/87/89/599118789.db2.gz MOUGCPKCLUTWKG-LBPRGKRZSA-N -1 3 379.380 2.272 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000738370022 599118791 /nfs/dbraw/zinc/11/87/91/599118791.db2.gz MOUGCPKCLUTWKG-LBPRGKRZSA-N -1 3 379.380 2.272 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737050182 599163730 /nfs/dbraw/zinc/16/37/30/599163730.db2.gz AWOPUCIBXVOFOW-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737050182 599163733 /nfs/dbraw/zinc/16/37/33/599163733.db2.gz AWOPUCIBXVOFOW-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM CCN(CC)C(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821175800 599201606 /nfs/dbraw/zinc/20/16/06/599201606.db2.gz WGGSTBGJUSJAFY-UHFFFAOYSA-N -1 3 382.384 2.396 20 5 GEBDHM CCN(CC)C(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821175800 599201608 /nfs/dbraw/zinc/20/16/08/599201608.db2.gz WGGSTBGJUSJAFY-UHFFFAOYSA-N -1 3 382.384 2.396 20 5 GEBDHM CN(Cc1ccc(OC(F)F)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821610922 599215831 /nfs/dbraw/zinc/21/58/31/599215831.db2.gz KJDLXAZUWSPTHZ-UHFFFAOYSA-N -1 3 377.311 2.408 20 5 GEBDHM CN(Cc1ccc(OC(F)F)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821610922 599215833 /nfs/dbraw/zinc/21/58/33/599215833.db2.gz KJDLXAZUWSPTHZ-UHFFFAOYSA-N -1 3 377.311 2.408 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822271310 599237023 /nfs/dbraw/zinc/23/70/23/599237023.db2.gz WMEVLXNGHZCZCP-UHFFFAOYSA-N -1 3 383.368 2.284 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738088794 599246272 /nfs/dbraw/zinc/24/62/72/599246272.db2.gz KSILFCTZLHHWBC-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ccccn3)cc(-c3nnn[n-]3)c2c1 ZINC000738367303 599260611 /nfs/dbraw/zinc/26/06/11/599260611.db2.gz QCSOVEBZXYNJGU-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ccccn3)cc(-c3nn[n-]n3)c2c1 ZINC000738367303 599260612 /nfs/dbraw/zinc/26/06/12/599260612.db2.gz QCSOVEBZXYNJGU-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM Cc1nn(C)c(C)c1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737510958 599270415 /nfs/dbraw/zinc/27/04/15/599270415.db2.gz PDAMGMSBXJPJEZ-UHFFFAOYSA-N -1 3 393.411 2.328 20 5 GEBDHM Cc1nn(C)c(C)c1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737510958 599270416 /nfs/dbraw/zinc/27/04/16/599270416.db2.gz PDAMGMSBXJPJEZ-UHFFFAOYSA-N -1 3 393.411 2.328 20 5 GEBDHM Cc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cccc1-c1nnn[n-]1 ZINC000822108222 607322151 /nfs/dbraw/zinc/32/21/51/607322151.db2.gz FWQXNCCDOWOECK-UHFFFAOYSA-N -1 3 382.336 2.107 20 5 GEBDHM Cc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cccc1-c1nn[n-]n1 ZINC000822108222 607322152 /nfs/dbraw/zinc/32/21/52/607322152.db2.gz FWQXNCCDOWOECK-UHFFFAOYSA-N -1 3 382.336 2.107 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738360370 598247631 /nfs/dbraw/zinc/24/76/31/598247631.db2.gz PGKFDWAEDPEYBC-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1C ZINC000736688446 598272168 /nfs/dbraw/zinc/27/21/68/598272168.db2.gz DKINZBKGYNBDMW-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1C ZINC000736688446 598272170 /nfs/dbraw/zinc/27/21/70/598272170.db2.gz DKINZBKGYNBDMW-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1C ZINC000737220688 598273999 /nfs/dbraw/zinc/27/39/99/598273999.db2.gz DSLXUULUWYWWON-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1C ZINC000737220688 598274000 /nfs/dbraw/zinc/27/40/00/598274000.db2.gz DSLXUULUWYWWON-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000738100885 598306880 /nfs/dbraw/zinc/30/68/80/598306880.db2.gz AUIXBHTXIVOHHP-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000738100885 598306881 /nfs/dbraw/zinc/30/68/81/598306881.db2.gz AUIXBHTXIVOHHP-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738101089 598310933 /nfs/dbraw/zinc/31/09/33/598310933.db2.gz FNCOQPLTXUFLNY-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738101089 598310935 /nfs/dbraw/zinc/31/09/35/598310935.db2.gz FNCOQPLTXUFLNY-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM Cc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737331146 598380506 /nfs/dbraw/zinc/38/05/06/598380506.db2.gz UVMOBNKQHAHPJG-RIYZIHGNSA-N -1 3 376.332 2.428 20 5 GEBDHM Cc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737331146 598380508 /nfs/dbraw/zinc/38/05/08/598380508.db2.gz UVMOBNKQHAHPJG-RIYZIHGNSA-N -1 3 376.332 2.428 20 5 GEBDHM Cc1nn(CCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000737513928 598483782 /nfs/dbraw/zinc/48/37/82/598483782.db2.gz YZFTZVFDUNFBKU-GFCCVEGCSA-N -1 3 385.384 2.283 20 5 GEBDHM Cc1nn(CCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000737513928 598483784 /nfs/dbraw/zinc/48/37/84/598483784.db2.gz YZFTZVFDUNFBKU-GFCCVEGCSA-N -1 3 385.384 2.283 20 5 GEBDHM COc1cc(OCC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737050224 598484650 /nfs/dbraw/zinc/48/46/50/598484650.db2.gz BTRVRRZURQLNSA-LLVKDONJSA-N -1 3 399.363 2.467 20 5 GEBDHM COc1cc(OCC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737050224 598484652 /nfs/dbraw/zinc/48/46/52/598484652.db2.gz BTRVRRZURQLNSA-LLVKDONJSA-N -1 3 399.363 2.467 20 5 GEBDHM C[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736159786 598486024 /nfs/dbraw/zinc/48/60/24/598486024.db2.gz OQEQSFSULRRMRU-LLVKDONJSA-N -1 3 393.363 2.429 20 5 GEBDHM C[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736159786 598486025 /nfs/dbraw/zinc/48/60/25/598486025.db2.gz OQEQSFSULRRMRU-LLVKDONJSA-N -1 3 393.363 2.429 20 5 GEBDHM CC[C@H](C)NC(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736328634 598498462 /nfs/dbraw/zinc/49/84/62/598498462.db2.gz XMKPRYNDAKUSIC-JTQLQIEISA-N -1 3 382.384 2.442 20 5 GEBDHM CC[C@H](C)NC(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736328634 598498464 /nfs/dbraw/zinc/49/84/64/598498464.db2.gz XMKPRYNDAKUSIC-JTQLQIEISA-N -1 3 382.384 2.442 20 5 GEBDHM Cc1cc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c(N)c([N+](=O)[O-])c1 ZINC000737243484 598531254 /nfs/dbraw/zinc/53/12/54/598531254.db2.gz TUSAMCNEARLUJV-UHFFFAOYSA-N -1 3 393.363 2.275 20 5 GEBDHM Cc1cc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c(N)c([N+](=O)[O-])c1 ZINC000737243484 598531256 /nfs/dbraw/zinc/53/12/56/598531256.db2.gz TUSAMCNEARLUJV-UHFFFAOYSA-N -1 3 393.363 2.275 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737293560 598599454 /nfs/dbraw/zinc/59/94/54/598599454.db2.gz FMIHBTLISQDOLH-UHFFFAOYSA-N -1 3 383.368 2.284 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000737293560 598599456 /nfs/dbraw/zinc/59/94/56/598599456.db2.gz FMIHBTLISQDOLH-UHFFFAOYSA-N -1 3 383.368 2.284 20 5 GEBDHM O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738235501 598621262 /nfs/dbraw/zinc/62/12/62/598621262.db2.gz RZICRHRNHYENOM-QGZVFWFLSA-N -1 3 394.391 2.487 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000738367292 598694350 /nfs/dbraw/zinc/69/43/50/598694350.db2.gz PRIGONVIWMWJFZ-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3Cl)CC2)c(-c2nnn[n-]2)c1 ZINC000823651992 599346823 /nfs/dbraw/zinc/34/68/23/599346823.db2.gz VEXSBZHSMMQYJN-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccccc3Cl)CC2)c(-c2nn[n-]n2)c1 ZINC000823651992 599346826 /nfs/dbraw/zinc/34/68/26/599346826.db2.gz VEXSBZHSMMQYJN-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455560 599354109 /nfs/dbraw/zinc/35/41/09/599354109.db2.gz JXAIPNYKSNPMIN-SNVBAGLBSA-N -1 3 388.409 2.352 20 5 GEBDHM C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455560 599354111 /nfs/dbraw/zinc/35/41/11/599354111.db2.gz JXAIPNYKSNPMIN-SNVBAGLBSA-N -1 3 388.409 2.352 20 5 GEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821608738 599456522 /nfs/dbraw/zinc/45/65/22/599456522.db2.gz SOIYSIIYSZYJGS-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821608738 599456523 /nfs/dbraw/zinc/45/65/23/599456523.db2.gz SOIYSIIYSZYJGS-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM O=[N+]([O-])c1cccc(CN2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000823648055 599501370 /nfs/dbraw/zinc/50/13/70/599501370.db2.gz SJLQXJOMUUNRTJ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1cccc(CN2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000823648055 599501371 /nfs/dbraw/zinc/50/13/71/599501371.db2.gz SJLQXJOMUUNRTJ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820390845 599541866 /nfs/dbraw/zinc/54/18/66/599541866.db2.gz LQPSLGUPLJMHEL-LLVKDONJSA-N -1 3 381.396 2.332 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820390845 599541868 /nfs/dbraw/zinc/54/18/68/599541868.db2.gz LQPSLGUPLJMHEL-LLVKDONJSA-N -1 3 381.396 2.332 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000736184693 599546021 /nfs/dbraw/zinc/54/60/21/599546021.db2.gz MIFUHISALXROMU-NSHDSACASA-N -1 3 380.364 2.132 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000736184693 599546022 /nfs/dbraw/zinc/54/60/22/599546022.db2.gz MIFUHISALXROMU-NSHDSACASA-N -1 3 380.364 2.132 20 5 GEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820570064 599566060 /nfs/dbraw/zinc/56/60/60/599566060.db2.gz CPWNVINFWGCNGV-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820570064 599566062 /nfs/dbraw/zinc/56/60/62/599566062.db2.gz CPWNVINFWGCNGV-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833925 607442540 /nfs/dbraw/zinc/44/25/40/607442540.db2.gz OIAQDCVXJWDTAZ-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833925 607442541 /nfs/dbraw/zinc/44/25/41/607442541.db2.gz OIAQDCVXJWDTAZ-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C)[C@H](CNC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000830580253 601249394 /nfs/dbraw/zinc/24/93/94/601249394.db2.gz HBZQVTBINXMHML-MRXNPFEDSA-N -1 3 387.392 2.091 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1Cc2ccccc2O1 ZINC000826450779 607523350 /nfs/dbraw/zinc/52/33/50/607523350.db2.gz DCBVINQPIOHRMN-CYBMUJFWSA-N -1 3 386.755 2.371 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1Cc2ccccc2O1 ZINC000826450779 607523352 /nfs/dbraw/zinc/52/33/52/607523352.db2.gz DCBVINQPIOHRMN-CYBMUJFWSA-N -1 3 386.755 2.371 20 5 GEBDHM COc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826200892 607583061 /nfs/dbraw/zinc/58/30/61/607583061.db2.gz NZXAXBRQEFYIPI-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826200892 607583062 /nfs/dbraw/zinc/58/30/62/607583062.db2.gz NZXAXBRQEFYIPI-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826212034 607604653 /nfs/dbraw/zinc/60/46/53/607604653.db2.gz DOVROJNUZTZDCP-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826212034 607604654 /nfs/dbraw/zinc/60/46/54/607604654.db2.gz DOVROJNUZTZDCP-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM CC[C@@](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000833644798 605381683 /nfs/dbraw/zinc/38/16/83/605381683.db2.gz SGNSJRRNJMGDFX-SFHVURJKSA-N -1 3 392.433 2.348 20 5 GEBDHM CC[C@](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000833644797 605382133 /nfs/dbraw/zinc/38/21/33/605382133.db2.gz SGNSJRRNJMGDFX-GOSISDBHSA-N -1 3 392.433 2.348 20 5 GEBDHM Cc1cc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)ncc1[N+](=O)[O-] ZINC000822207484 606035123 /nfs/dbraw/zinc/03/51/23/606035123.db2.gz YBPXOUVBEVZRJN-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM Cc1cc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)ncc1[N+](=O)[O-] ZINC000822207484 606035128 /nfs/dbraw/zinc/03/51/28/606035128.db2.gz YBPXOUVBEVZRJN-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821846259 606242264 /nfs/dbraw/zinc/24/22/64/606242264.db2.gz OVYMYEMNHSMZLP-CQSZACIVSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821846259 606242265 /nfs/dbraw/zinc/24/22/65/606242265.db2.gz OVYMYEMNHSMZLP-CQSZACIVSA-N -1 3 395.379 2.001 20 5 GEBDHM O=C1[C@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823513115 606247934 /nfs/dbraw/zinc/24/79/34/606247934.db2.gz SWOYLPHDNWJUNS-CQSZACIVSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823513115 606247935 /nfs/dbraw/zinc/24/79/35/606247935.db2.gz SWOYLPHDNWJUNS-CQSZACIVSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@@H](Nc2ccc(F)c(-c3nnn[n-]3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513690 606249170 /nfs/dbraw/zinc/24/91/70/606249170.db2.gz WMIRNPKVKMJIBF-HNNXBMFYSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@@H](Nc2ccc(F)c(-c3nn[n-]n3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513690 606249172 /nfs/dbraw/zinc/24/91/72/606249172.db2.gz WMIRNPKVKMJIBF-HNNXBMFYSA-N -1 3 383.343 2.131 20 5 GEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823648336 606379474 /nfs/dbraw/zinc/37/94/74/606379474.db2.gz VAIYPMXBRDHLSI-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823648336 606379475 /nfs/dbraw/zinc/37/94/75/606379475.db2.gz VAIYPMXBRDHLSI-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820178065 606388923 /nfs/dbraw/zinc/38/89/23/606388923.db2.gz GSXOBAQQJGXRFU-UHFFFAOYSA-N -1 3 386.368 2.258 20 5 GEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820178065 606388925 /nfs/dbraw/zinc/38/89/25/606388925.db2.gz GSXOBAQQJGXRFU-UHFFFAOYSA-N -1 3 386.368 2.258 20 5 GEBDHM Cc1ccc([C@@H](C)NC(=O)COc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228611 606448596 /nfs/dbraw/zinc/44/85/96/606448596.db2.gz AIWMXUOHWWTODA-GFCCVEGCSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1ccc([C@@H](C)NC(=O)COc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228611 606448597 /nfs/dbraw/zinc/44/85/97/606448597.db2.gz AIWMXUOHWWTODA-GFCCVEGCSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1ccc([C@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229349 606449101 /nfs/dbraw/zinc/44/91/01/606449101.db2.gz SAMMALVPVNDEMG-LBPRGKRZSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1ccc([C@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229349 606449102 /nfs/dbraw/zinc/44/91/02/606449102.db2.gz SAMMALVPVNDEMG-LBPRGKRZSA-N -1 3 382.380 2.340 20 5 GEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000823098569 606569706 /nfs/dbraw/zinc/56/97/06/606569706.db2.gz QKICXTQKJDVRJT-UHFFFAOYSA-N -1 3 380.408 2.457 20 5 GEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000823098569 606569707 /nfs/dbraw/zinc/56/97/07/606569707.db2.gz QKICXTQKJDVRJT-UHFFFAOYSA-N -1 3 380.408 2.457 20 5 GEBDHM O=[N+]([O-])c1cc(N[C@@H](CO)Cc2c[nH]c3ccccc23)ccc1-c1nnn[n-]1 ZINC000823634894 606646104 /nfs/dbraw/zinc/64/61/04/606646104.db2.gz NSKSNZCZBBSJAS-CYBMUJFWSA-N -1 3 379.380 2.272 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000822213009 606659200 /nfs/dbraw/zinc/65/92/00/606659200.db2.gz QNPRZKPYRFZJAQ-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000822213009 606659201 /nfs/dbraw/zinc/65/92/01/606659201.db2.gz QNPRZKPYRFZJAQ-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823656964 606780208 /nfs/dbraw/zinc/78/02/08/606780208.db2.gz KRJVRYJZIRYYBV-UHFFFAOYSA-N -1 3 376.760 2.059 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640035 606877786 /nfs/dbraw/zinc/87/77/86/606877786.db2.gz QANPBADOENYMEZ-QAPCUYQASA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640035 606877787 /nfs/dbraw/zinc/87/77/87/606877787.db2.gz QANPBADOENYMEZ-QAPCUYQASA-N -1 3 396.407 2.104 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000822262674 606884766 /nfs/dbraw/zinc/88/47/66/606884766.db2.gz CUZWNHNGWPUSEM-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000822262674 606884768 /nfs/dbraw/zinc/88/47/68/606884768.db2.gz CUZWNHNGWPUSEM-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822974479 606995853 /nfs/dbraw/zinc/99/58/53/606995853.db2.gz OWZVFLBXOUUPKM-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822974479 606995855 /nfs/dbraw/zinc/99/58/55/606995855.db2.gz OWZVFLBXOUUPKM-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000823014611 607124686 /nfs/dbraw/zinc/12/46/86/607124686.db2.gz RAHMZRGNUVTFEY-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823644730 607166847 /nfs/dbraw/zinc/16/68/47/607166847.db2.gz KVQGMZSZKVVTNF-UHFFFAOYSA-N -1 3 390.363 2.388 20 5 GEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823644730 607166849 /nfs/dbraw/zinc/16/68/49/607166849.db2.gz KVQGMZSZKVVTNF-UHFFFAOYSA-N -1 3 390.363 2.388 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000823266485 607188875 /nfs/dbraw/zinc/18/88/75/607188875.db2.gz VFBMHAZMYQNGCO-UHFFFAOYSA-N -1 3 390.363 2.095 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000823266485 607188876 /nfs/dbraw/zinc/18/88/76/607188876.db2.gz VFBMHAZMYQNGCO-UHFFFAOYSA-N -1 3 390.363 2.095 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825834584 607786665 /nfs/dbraw/zinc/78/66/65/607786665.db2.gz ZRQMBJPDHOBAOF-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825834584 607786666 /nfs/dbraw/zinc/78/66/66/607786666.db2.gz ZRQMBJPDHOBAOF-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826272339 607866828 /nfs/dbraw/zinc/86/68/28/607866828.db2.gz DXXMVJXRXUSGTP-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826272339 607866829 /nfs/dbraw/zinc/86/68/29/607866829.db2.gz DXXMVJXRXUSGTP-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cccc(C)c1OC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826296605 607869458 /nfs/dbraw/zinc/86/94/58/607869458.db2.gz CEIPVQKPXOOOPH-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cccc(C)c1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826296605 607869459 /nfs/dbraw/zinc/86/94/59/607869459.db2.gz CEIPVQKPXOOOPH-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826242887 607873996 /nfs/dbraw/zinc/87/39/96/607873996.db2.gz KVSZUURMQJELFQ-HNNXBMFYSA-N -1 3 385.380 2.210 20 5 GEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826408366 607957010 /nfs/dbraw/zinc/95/70/10/607957010.db2.gz CBGQJVRFDSNULX-UHFFFAOYSA-N -1 3 378.392 2.292 20 5 GEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826408366 607957011 /nfs/dbraw/zinc/95/70/11/607957011.db2.gz CBGQJVRFDSNULX-UHFFFAOYSA-N -1 3 378.392 2.292 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826401592 608002759 /nfs/dbraw/zinc/00/27/59/608002759.db2.gz BXYDSVFNFIHARC-VMPITWQZSA-N -1 3 376.336 2.303 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826401592 608002760 /nfs/dbraw/zinc/00/27/60/608002760.db2.gz BXYDSVFNFIHARC-VMPITWQZSA-N -1 3 376.336 2.303 20 5 GEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826457165 608049779 /nfs/dbraw/zinc/04/97/79/608049779.db2.gz OFPBXWOIEWOOBU-INIZCTEOSA-N -1 3 395.379 2.380 20 5 GEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826457165 608049780 /nfs/dbraw/zinc/04/97/80/608049780.db2.gz OFPBXWOIEWOOBU-INIZCTEOSA-N -1 3 395.379 2.380 20 5 GEBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736291235 608051630 /nfs/dbraw/zinc/05/16/30/608051630.db2.gz LATUSZMWAYOCHN-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736291235 608051631 /nfs/dbraw/zinc/05/16/31/608051631.db2.gz LATUSZMWAYOCHN-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000826161453 608137380 /nfs/dbraw/zinc/13/73/80/608137380.db2.gz JCTBBJITNOFLFM-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000826161453 608137381 /nfs/dbraw/zinc/13/73/81/608137381.db2.gz JCTBBJITNOFLFM-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000826161557 608138265 /nfs/dbraw/zinc/13/82/65/608138265.db2.gz OCRYIEGWSXQUKT-UHFFFAOYSA-N -1 3 390.381 2.114 20 5 GEBDHM O=C(CN1CCc2ccccc21)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826412026 608163760 /nfs/dbraw/zinc/16/37/60/608163760.db2.gz YNGIDBXIUOJHKZ-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM O=C(CN1CCc2ccccc21)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826412026 608163761 /nfs/dbraw/zinc/16/37/61/608163761.db2.gz YNGIDBXIUOJHKZ-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H](O)C(F)(F)F ZINC000825149055 608232131 /nfs/dbraw/zinc/23/21/31/608232131.db2.gz UZCOPNJQYCRZBU-GWCFXTLKSA-N -1 3 397.317 2.437 20 5 GEBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H](O)C(F)(F)F ZINC000825149055 608232133 /nfs/dbraw/zinc/23/21/33/608232133.db2.gz UZCOPNJQYCRZBU-GWCFXTLKSA-N -1 3 397.317 2.437 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1F ZINC000826272737 608247491 /nfs/dbraw/zinc/24/74/91/608247491.db2.gz YWJBZHPETMFXMI-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1F ZINC000826272737 608247492 /nfs/dbraw/zinc/24/74/92/608247492.db2.gz YWJBZHPETMFXMI-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4cc[nH]n4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499594 608371781 /nfs/dbraw/zinc/37/17/81/608371781.db2.gz ORTZWXBCSYALQZ-NSHDSACASA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4cc[nH]n4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499594 608371783 /nfs/dbraw/zinc/37/17/83/608371783.db2.gz ORTZWXBCSYALQZ-NSHDSACASA-N -1 3 391.395 2.430 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826112391 608392494 /nfs/dbraw/zinc/39/24/94/608392494.db2.gz ZHAZHYQZXSGDJJ-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826112391 608392495 /nfs/dbraw/zinc/39/24/95/608392495.db2.gz ZHAZHYQZXSGDJJ-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826425713 608403097 /nfs/dbraw/zinc/40/30/97/608403097.db2.gz PUOREUGVKKQUOE-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826425713 608403100 /nfs/dbraw/zinc/40/31/00/608403100.db2.gz PUOREUGVKKQUOE-UHFFFAOYSA-N -1 3 398.770 2.417 20 5 GEBDHM O=c1c([N+](=O)[O-])cc(Cl)cn1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826501295 608407083 /nfs/dbraw/zinc/40/70/83/608407083.db2.gz JKRIKKPINBARFX-UHFFFAOYSA-N -1 3 376.760 2.059 20 5 GEBDHM O=c1c([N+](=O)[O-])cc(Cl)cn1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826501295 608407084 /nfs/dbraw/zinc/40/70/84/608407084.db2.gz JKRIKKPINBARFX-UHFFFAOYSA-N -1 3 376.760 2.059 20 5 GEBDHM Cc1oc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826341844 608469580 /nfs/dbraw/zinc/46/95/80/608469580.db2.gz RKHRNCSEXSIWQO-SNVBAGLBSA-N -1 3 385.384 2.274 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(OCc3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000826500689 608559048 /nfs/dbraw/zinc/55/90/48/608559048.db2.gz IBKGONMTJCCWHV-UHFFFAOYSA-N -1 3 399.386 2.495 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(OCc3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000826500689 608559049 /nfs/dbraw/zinc/55/90/49/608559049.db2.gz IBKGONMTJCCWHV-UHFFFAOYSA-N -1 3 399.386 2.495 20 5 GEBDHM CC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134611 609244970 /nfs/dbraw/zinc/24/49/70/609244970.db2.gz VNVBKAWMJJAYOH-CVEARBPZSA-N -1 3 382.380 2.076 20 5 GEBDHM CC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134611 609244972 /nfs/dbraw/zinc/24/49/72/609244972.db2.gz VNVBKAWMJJAYOH-CVEARBPZSA-N -1 3 382.380 2.076 20 5 GEBDHM Cc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cccc1-c1nnn[n-]1 ZINC000826240873 609397455 /nfs/dbraw/zinc/39/74/55/609397455.db2.gz JYZVHAQTSHHPED-MRXNPFEDSA-N -1 3 393.363 2.215 20 5 GEBDHM Cc1c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cccc1-c1nn[n-]n1 ZINC000826240873 609397456 /nfs/dbraw/zinc/39/74/56/609397456.db2.gz JYZVHAQTSHHPED-MRXNPFEDSA-N -1 3 393.363 2.215 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000826242916 609492877 /nfs/dbraw/zinc/49/28/77/609492877.db2.gz LYHJSWXHLDEARY-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000826161526 609497091 /nfs/dbraw/zinc/49/70/91/609497091.db2.gz MSWYEXIDUYDLMJ-UHFFFAOYSA-N -1 3 399.367 2.444 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000826161526 609497093 /nfs/dbraw/zinc/49/70/93/609497093.db2.gz MSWYEXIDUYDLMJ-UHFFFAOYSA-N -1 3 399.367 2.444 20 5 GEBDHM CC(C)(C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)n1cc([N+](=O)[O-])cn1 ZINC000824065168 609618221 /nfs/dbraw/zinc/61/82/21/609618221.db2.gz UVTQKCSWHKJRJU-UHFFFAOYSA-N -1 3 391.775 2.103 20 5 GEBDHM CC(C)(C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)n1cc([N+](=O)[O-])cn1 ZINC000824065168 609618222 /nfs/dbraw/zinc/61/82/22/609618222.db2.gz UVTQKCSWHKJRJU-UHFFFAOYSA-N -1 3 391.775 2.103 20 5 GEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465011 609631233 /nfs/dbraw/zinc/63/12/33/609631233.db2.gz VECXCPUWPNZXNZ-CQSZACIVSA-N -1 3 389.755 2.205 20 5 GEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465011 609631234 /nfs/dbraw/zinc/63/12/34/609631234.db2.gz VECXCPUWPNZXNZ-CQSZACIVSA-N -1 3 389.755 2.205 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCC2CC2)c(Br)c1 ZINC000446973021 649991635 /nfs/dbraw/zinc/99/16/35/649991635.db2.gz XPLJTQHEMRJRPI-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451838552 650146394 /nfs/dbraw/zinc/14/63/94/650146394.db2.gz MHOOFJCTPXKHHD-MNOVXSKESA-N -1 3 376.818 2.258 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c(C(F)(F)F)c1 ZINC000451886038 650150260 /nfs/dbraw/zinc/15/02/60/650150260.db2.gz CNXMKTWSOZBQRT-GFCCVEGCSA-N -1 3 380.344 2.461 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCC2)c(C(F)(F)F)c1 ZINC000481255219 650643006 /nfs/dbraw/zinc/64/30/06/650643006.db2.gz TVNQWHPKKABLEV-JTQLQIEISA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCOC1 ZINC000536758487 650807273 /nfs/dbraw/zinc/80/72/73/650807273.db2.gz UDOQWZLZYKDEAK-LBPRGKRZSA-N -1 3 379.232 2.205 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)cc1[N+](=O)[O-] ZINC000119336461 643546848 /nfs/dbraw/zinc/54/68/48/643546848.db2.gz JXFHUHJCBPTCOR-UHFFFAOYSA-N -1 3 397.356 2.490 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c1 ZINC000119460890 643553558 /nfs/dbraw/zinc/55/35/58/643553558.db2.gz GRZQTALFZNJCBA-MGCOHNPYSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccon1 ZINC000542119409 650887507 /nfs/dbraw/zinc/88/75/07/650887507.db2.gz ZSDODPRVQWARJL-ZETCQYMHSA-N -1 3 376.188 2.385 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2nccs2)c1 ZINC000158137905 644140592 /nfs/dbraw/zinc/14/05/92/644140592.db2.gz GXQUKKGGVIVZFK-UHFFFAOYSA-N -1 3 378.229 2.292 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@]1(O)CCc2ccccc21 ZINC000162187364 644233446 /nfs/dbraw/zinc/23/34/46/644233446.db2.gz SXUPYLOBMAYSHZ-MRXNPFEDSA-N -1 3 382.825 2.361 20 5 GEBDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178775524 644439130 /nfs/dbraw/zinc/43/91/30/644439130.db2.gz DNDWBOSCQVVKKW-JTQLQIEISA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000544131277 650935447 /nfs/dbraw/zinc/93/54/47/650935447.db2.gz FHNKYXJTEJMIDI-SECBINFHSA-N -1 3 378.353 2.238 20 5 GEBDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269828829 646065510 /nfs/dbraw/zinc/06/55/10/646065510.db2.gz XEJJVAFSOHYINS-UHFFFAOYSA-N -1 3 395.275 2.434 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000270584057 646122730 /nfs/dbraw/zinc/12/27/30/646122730.db2.gz XFWITIOAZNPWAP-SNVBAGLBSA-N -1 3 376.740 2.148 20 5 GEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271300315 646187931 /nfs/dbraw/zinc/18/79/31/646187931.db2.gz VVBDWHMTLAEOEJ-ZJUUUORDSA-N -1 3 393.259 2.451 20 5 GEBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000272082457 646252882 /nfs/dbraw/zinc/25/28/82/646252882.db2.gz SQKIGEVWUSNEFV-UHFFFAOYSA-N -1 3 381.248 2.185 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F ZINC000396919032 647897525 /nfs/dbraw/zinc/89/75/25/647897525.db2.gz WZPPPRPTEUYDOT-QMMMGPOBSA-N -1 3 384.332 2.248 20 5 GEBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000416453654 648129706 /nfs/dbraw/zinc/12/97/06/648129706.db2.gz RIXIPXZXVOMUMH-SECBINFHSA-N -1 3 384.332 2.234 20 5 GEBDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000420755583 648451335 /nfs/dbraw/zinc/45/13/35/648451335.db2.gz CHUXNRMRTPMFQJ-JTQLQIEISA-N -1 3 378.834 2.111 20 5 GEBDHM O=[N+]([O-])c1ccccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441371854 648825847 /nfs/dbraw/zinc/82/58/47/648825847.db2.gz AVBJNRBXQADUKP-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM CSC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443239641 648868430 /nfs/dbraw/zinc/86/84/30/648868430.db2.gz IBDWKXXNOPFPOC-QMMMGPOBSA-N -1 3 388.389 2.006 20 5 GEBDHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000559156754 651292236 /nfs/dbraw/zinc/29/22/36/651292236.db2.gz URTZRNKYFLJTJT-TVQRCGJNSA-N -1 3 393.259 2.187 20 5 GEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@]12CCCO2 ZINC000612684943 651765407 /nfs/dbraw/zinc/76/54/07/651765407.db2.gz WOBUGUCRWUIHKY-RBSFLKMASA-N -1 3 390.845 2.253 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC1 ZINC000614832474 651840340 /nfs/dbraw/zinc/84/03/40/651840340.db2.gz NEEMJBKOHIRTEO-SNVBAGLBSA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1cnn(C)c1 ZINC000742301924 651976671 /nfs/dbraw/zinc/97/66/71/651976671.db2.gz CCJLXWAEGSGQKO-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000576609856 652131674 /nfs/dbraw/zinc/13/16/74/652131674.db2.gz RZUKTJNXLMCOPT-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1ccc([N+](=O)[O-])cc1 ZINC000750213128 652286753 /nfs/dbraw/zinc/28/67/53/652286753.db2.gz DRCAKGBZXIFRRW-UHFFFAOYSA-N -1 3 390.826 2.331 20 5 GEBDHM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751276397 652337134 /nfs/dbraw/zinc/33/71/34/652337134.db2.gz AOKGDETVEREOHD-JTQLQIEISA-N -1 3 381.248 2.043 20 5 GEBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751390173 652344635 /nfs/dbraw/zinc/34/46/35/652344635.db2.gz MGCUQBQLGDJOSH-GFCCVEGCSA-N -1 3 381.248 2.187 20 5 GEBDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000594486019 652662853 /nfs/dbraw/zinc/66/28/53/652662853.db2.gz FTDLOVQBORXVJB-ZDUSSCGKSA-N -1 3 376.406 2.379 20 5 GEBDHM NC(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000595388978 652718633 /nfs/dbraw/zinc/71/86/33/652718633.db2.gz ZDSOUSXHGNYENI-UHFFFAOYSA-N -1 3 389.861 2.352 20 5 GEBDHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599397285 652866491 /nfs/dbraw/zinc/86/64/91/652866491.db2.gz OMXXCMDOWQHPFA-TVQRCGJNSA-N -1 3 380.344 2.459 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000769692596 653171523 /nfs/dbraw/zinc/17/15/23/653171523.db2.gz NTAMEVOQCKYEBZ-RKDXNWHRSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809822718 653302312 /nfs/dbraw/zinc/30/23/12/653302312.db2.gz SXTHFPXJBWLOJB-UHFFFAOYSA-N -1 3 388.808 2.481 20 5 GEBDHM CO[C@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000812515105 653431865 /nfs/dbraw/zinc/43/18/65/653431865.db2.gz VQNXMDWIDCUTFB-CYBMUJFWSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859341947 653444072 /nfs/dbraw/zinc/44/40/72/653444072.db2.gz UUFGBLZSOZEZAR-NMSKTSORSA-N -1 3 393.259 2.448 20 5 GEBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC000814380118 653627969 /nfs/dbraw/zinc/62/79/69/653627969.db2.gz UBRUNSRVXDGFSX-UHFFFAOYSA-N -1 3 382.785 2.305 20 5 GEBDHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784397526 653693029 /nfs/dbraw/zinc/69/30/29/653693029.db2.gz NCIJVJKANFXBOT-UFBFGSQYSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784397523 653693066 /nfs/dbraw/zinc/69/30/66/653693066.db2.gz NCIJVJKANFXBOT-PRHODGIISA-N -1 3 379.232 2.203 20 5 GEBDHM COc1nn(C)cc1[N-]c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000788860767 653765274 /nfs/dbraw/zinc/76/52/74/653765274.db2.gz YZOXEZPNJBMFKS-UHFFFAOYSA-N -1 3 380.304 2.374 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)O1 ZINC000867609222 653961442 /nfs/dbraw/zinc/96/14/42/653961442.db2.gz MXPJRNSYAHIBDA-FYBVGQRMSA-N -1 3 379.232 2.202 20 5 GEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884004 653975226 /nfs/dbraw/zinc/97/52/26/653975226.db2.gz XLJAHFNULPKPQF-PELKAZGASA-N -1 3 377.825 2.148 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000798227575 654055814 /nfs/dbraw/zinc/05/58/14/654055814.db2.gz TWBSNVRMVUXYLI-RKDXNWHRSA-N -1 3 377.825 2.291 20 5 GEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921856610 654332616 /nfs/dbraw/zinc/33/26/16/654332616.db2.gz NFXGXCHDHQLEBL-GWCFXTLKSA-N -1 3 382.360 2.457 20 5 GEBDHM CCOC(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000047543163 531715936 /nfs/dbraw/zinc/71/59/36/531715936.db2.gz ISKSGFCWZBNKLK-UHFFFAOYSA-N -1 3 391.833 2.147 20 5 GEBDHM CCOCCCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000119775182 531973920 /nfs/dbraw/zinc/97/39/20/531973920.db2.gz WUQUEMBHBLHWAO-UHFFFAOYSA-N -1 3 381.248 2.452 20 5 GEBDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123511701 532100079 /nfs/dbraw/zinc/10/00/79/532100079.db2.gz ZFQNTBNDWMZEIN-UHFFFAOYSA-N -1 3 383.451 2.444 20 5 GEBDHM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000175874824 532117970 /nfs/dbraw/zinc/11/79/70/532117970.db2.gz FZRJPPQZAQYOKI-QHCPKHFHSA-N -1 3 388.854 2.464 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c(F)c1 ZINC000125564568 532138792 /nfs/dbraw/zinc/13/87/92/532138792.db2.gz NMMKWJPRKCRNMA-UHFFFAOYSA-N -1 3 375.765 2.140 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000124618504 532126155 /nfs/dbraw/zinc/12/61/55/532126155.db2.gz VKVNBWKYVLKVLZ-UHFFFAOYSA-N -1 3 379.419 2.285 20 5 GEBDHM O=C([N-]c1nncs1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000124620386 532126173 /nfs/dbraw/zinc/12/61/73/532126173.db2.gz OGLWLGAXNMTTNU-UHFFFAOYSA-N -1 3 376.135 2.303 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCNC(=O)C2CCC2)c1 ZINC000180088281 532256645 /nfs/dbraw/zinc/25/66/45/532256645.db2.gz WWKYSCKWRPSTLY-UHFFFAOYSA-N -1 3 389.861 2.141 20 5 GEBDHM COC(=O)c1sccc1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000145942378 532298090 /nfs/dbraw/zinc/29/80/90/532298090.db2.gz ZOOADGUZBGPMNZ-UHFFFAOYSA-N -1 3 384.391 2.099 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000188919600 532350228 /nfs/dbraw/zinc/35/02/28/532350228.db2.gz JMTKVSDSJAAPMD-SKDRFNHKSA-N -1 3 382.360 2.443 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000281854657 532437993 /nfs/dbraw/zinc/43/79/93/532437993.db2.gz YMNJDFXPNWGENH-VIFPVBQESA-N -1 3 378.353 2.095 20 5 GEBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000592079712 532439075 /nfs/dbraw/zinc/43/90/75/532439075.db2.gz DVNBJAYMRMRNHX-QMMMGPOBSA-N -1 3 384.332 2.091 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000467396970 532444605 /nfs/dbraw/zinc/44/46/05/532444605.db2.gz OZQPUGUEIFRLPO-UHFFFAOYSA-N -1 3 383.451 2.063 20 5 GEBDHM COCCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467422282 532446917 /nfs/dbraw/zinc/44/69/17/532446917.db2.gz ZTZFGEYBENGISX-UHFFFAOYSA-N -1 3 386.451 2.468 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000518996507 532452389 /nfs/dbraw/zinc/45/23/89/532452389.db2.gz QSOXSNTWSOCWKL-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000373921662 532478951 /nfs/dbraw/zinc/47/89/51/532478951.db2.gz NXPQHQDZFANMGF-LLVKDONJSA-N -1 3 382.829 2.182 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)nc1 ZINC000593605988 532490480 /nfs/dbraw/zinc/49/04/80/532490480.db2.gz NCWNCZIHLXAEJC-AWEZNQCLSA-N -1 3 383.451 2.234 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C ZINC000469307495 532500968 /nfs/dbraw/zinc/50/09/68/532500968.db2.gz WJWBBOXRAPQDDU-CYBMUJFWSA-N -1 3 390.483 2.437 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000375179177 532539794 /nfs/dbraw/zinc/53/97/94/532539794.db2.gz WNOKFRTVKBITGT-GFCCVEGCSA-N -1 3 379.423 2.379 20 5 GEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@]1(O)CCCOC1 ZINC000595368334 532561118 /nfs/dbraw/zinc/56/11/18/532561118.db2.gz UJOBVCHUCYWOPP-HNNXBMFYSA-N -1 3 392.861 2.094 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)ccc1Br ZINC000249499514 532566969 /nfs/dbraw/zinc/56/69/69/532566969.db2.gz HHALCPHEFULPSR-UFGOTCBOSA-N -1 3 391.243 2.203 20 5 GEBDHM Cn1cnc([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000566519955 532614701 /nfs/dbraw/zinc/61/47/01/532614701.db2.gz UJCCCMDHJDTOSJ-UHFFFAOYSA-N -1 3 394.240 2.026 20 5 GEBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000603804144 532698873 /nfs/dbraw/zinc/69/88/73/532698873.db2.gz LWIODLQCMFQTCV-UHFFFAOYSA-N -1 3 384.439 2.195 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c(F)c1 ZINC000269152382 532775680 /nfs/dbraw/zinc/77/56/80/532775680.db2.gz SRLHZJKWFTYARI-QMTHXVAHSA-N -1 3 376.431 2.067 20 5 GEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000542701510 532777480 /nfs/dbraw/zinc/77/74/80/532777480.db2.gz HURBTHZFSNJJOH-JTQLQIEISA-N -1 3 376.740 2.148 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c(F)c1 ZINC000269296818 532779415 /nfs/dbraw/zinc/77/94/15/532779415.db2.gz ASZLMWKNYUEPMM-LLVKDONJSA-N -1 3 390.458 2.457 20 5 GEBDHM CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000451797280 532770538 /nfs/dbraw/zinc/77/05/38/532770538.db2.gz PEONBYVGZSDVDE-GFCCVEGCSA-N -1 3 381.248 2.451 20 5 GEBDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271288245 532807306 /nfs/dbraw/zinc/80/73/06/532807306.db2.gz SGWXFZRPMSRDCD-UWVGGRQHSA-N -1 3 393.259 2.451 20 5 GEBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273601818 532827508 /nfs/dbraw/zinc/82/75/08/532827508.db2.gz RTDGTPXDZYSRMX-QWHCGFSZSA-N -1 3 388.467 2.334 20 5 GEBDHM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C2 ZINC000368022490 532929631 /nfs/dbraw/zinc/92/96/31/532929631.db2.gz QAQJWXIEJDBGMW-NSHDSACASA-N -1 3 384.845 2.355 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000737117452 598825920 /nfs/dbraw/zinc/82/59/20/598825920.db2.gz VHHYNMMMEOLXMH-UHFFFAOYSA-N -1 3 392.379 2.399 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000737117452 598825921 /nfs/dbraw/zinc/82/59/21/598825921.db2.gz VHHYNMMMEOLXMH-UHFFFAOYSA-N -1 3 392.379 2.399 20 5 GEBDHM C[C@@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736201379 598944397 /nfs/dbraw/zinc/94/43/97/598944397.db2.gz DKTAAECSXZKHKB-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736201379 598944398 /nfs/dbraw/zinc/94/43/98/598944398.db2.gz DKTAAECSXZKHKB-ZDUSSCGKSA-N -1 3 380.412 2.053 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC000736688081 599004786 /nfs/dbraw/zinc/00/47/86/599004786.db2.gz ALNBSWGOBOUHBE-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC000736688081 599004787 /nfs/dbraw/zinc/00/47/87/599004787.db2.gz ALNBSWGOBOUHBE-UHFFFAOYSA-N -1 3 389.393 2.413 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC2(CC2)c2ccccc21 ZINC000738358042 599042908 /nfs/dbraw/zinc/04/29/08/599042908.db2.gz KCTDTERWFQQPBJ-UHFFFAOYSA-N -1 3 398.404 2.015 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC2(CC2)c2ccccc21 ZINC000738358042 599042911 /nfs/dbraw/zinc/04/29/11/599042911.db2.gz KCTDTERWFQQPBJ-UHFFFAOYSA-N -1 3 398.404 2.015 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737282859 599083552 /nfs/dbraw/zinc/08/35/52/599083552.db2.gz JXRLJBGKECDZGY-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737282859 599083554 /nfs/dbraw/zinc/08/35/54/599083554.db2.gz JXRLJBGKECDZGY-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM COCCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989022 599113917 /nfs/dbraw/zinc/11/39/17/599113917.db2.gz PNOWVPJSAGBLGW-WCIBSUBMSA-N -1 3 394.391 2.468 20 5 GEBDHM COCCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989022 599113918 /nfs/dbraw/zinc/11/39/18/599113918.db2.gz PNOWVPJSAGBLGW-WCIBSUBMSA-N -1 3 394.391 2.468 20 5 GEBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738261182 599207553 /nfs/dbraw/zinc/20/75/53/599207553.db2.gz JVPWPCPGVKEUPK-INIZCTEOSA-N -1 3 383.393 2.058 20 5 GEBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738261182 599207555 /nfs/dbraw/zinc/20/75/55/599207555.db2.gz JVPWPCPGVKEUPK-INIZCTEOSA-N -1 3 383.393 2.058 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000738090428 599219999 /nfs/dbraw/zinc/21/99/99/599219999.db2.gz TYHYQIMCADNXCG-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000738380230 599221922 /nfs/dbraw/zinc/22/19/22/599221922.db2.gz FJEOWTADGGRQCE-UHFFFAOYSA-N -1 3 382.336 2.152 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000738380230 599221923 /nfs/dbraw/zinc/22/19/23/599221923.db2.gz FJEOWTADGGRQCE-UHFFFAOYSA-N -1 3 382.336 2.152 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738089685 599245864 /nfs/dbraw/zinc/24/58/64/599245864.db2.gz PLCHYCYHZXVITP-UHFFFAOYSA-N -1 3 393.363 2.065 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738089695 599246122 /nfs/dbraw/zinc/24/61/22/599246122.db2.gz PROHSRAAMSJWNM-UHFFFAOYSA-N -1 3 393.363 2.065 20 5 GEBDHM Cc1cc(C)c(NC(=O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000822194285 599253035 /nfs/dbraw/zinc/25/30/35/599253035.db2.gz QJJFTJSGFANBBS-UHFFFAOYSA-N -1 3 382.384 2.146 20 5 GEBDHM Cc1cc(C)c(NC(=O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000822194285 599253038 /nfs/dbraw/zinc/25/30/38/599253038.db2.gz QJJFTJSGFANBBS-UHFFFAOYSA-N -1 3 382.384 2.146 20 5 GEBDHM O=[N+]([O-])c1ccccc1NCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000738368079 599260542 /nfs/dbraw/zinc/26/05/42/599260542.db2.gz CYQKRTMAGOTXJG-UHFFFAOYSA-N -1 3 376.380 2.269 20 5 GEBDHM O=[N+]([O-])c1ccccc1NCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000738368079 599260543 /nfs/dbraw/zinc/26/05/43/599260543.db2.gz CYQKRTMAGOTXJG-UHFFFAOYSA-N -1 3 376.380 2.269 20 5 GEBDHM COc1cccc(N2C[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2=O)c1 ZINC000737137754 598248179 /nfs/dbraw/zinc/24/81/79/598248179.db2.gz DPZYDXLHVPYKFD-LLVKDONJSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1cccc(N2C[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2=O)c1 ZINC000737137754 598248180 /nfs/dbraw/zinc/24/81/80/598248180.db2.gz DPZYDXLHVPYKFD-LLVKDONJSA-N -1 3 395.379 2.001 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000737221177 598273535 /nfs/dbraw/zinc/27/35/35/598273535.db2.gz GUSBNKHGJHOAHA-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000737221177 598273536 /nfs/dbraw/zinc/27/35/36/598273536.db2.gz GUSBNKHGJHOAHA-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000737221208 598273615 /nfs/dbraw/zinc/27/36/15/598273615.db2.gz HDLJRBCURDNVQX-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000737221208 598273617 /nfs/dbraw/zinc/27/36/17/598273617.db2.gz HDLJRBCURDNVQX-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=[N+]([O-])c1cc(NCCc2csc(N3CCCC3)n2)ccc1-c1nnn[n-]1 ZINC000823634716 607347194 /nfs/dbraw/zinc/34/71/94/607347194.db2.gz KMJMJCRWWIFCHJ-UHFFFAOYSA-N -1 3 386.441 2.486 20 5 GEBDHM O=[N+]([O-])c1cc(NCc2ccc(Cn3cncn3)cc2)ccc1-c1nnn[n-]1 ZINC000823634745 607347581 /nfs/dbraw/zinc/34/75/81/607347581.db2.gz LDQOKVFUCCGGMV-UHFFFAOYSA-N -1 3 377.368 2.027 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737283501 598289472 /nfs/dbraw/zinc/28/94/72/598289472.db2.gz SPVZVYPRTBXXIY-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737283501 598289473 /nfs/dbraw/zinc/28/94/73/598289473.db2.gz SPVZVYPRTBXXIY-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738102493 598306673 /nfs/dbraw/zinc/30/66/73/598306673.db2.gz PLXWDHXGWGOLKQ-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738102493 598306675 /nfs/dbraw/zinc/30/66/75/598306675.db2.gz PLXWDHXGWGOLKQ-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737947790 598306779 /nfs/dbraw/zinc/30/67/79/598306779.db2.gz OQQGSJMUOAMWIM-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737947790 598306780 /nfs/dbraw/zinc/30/67/80/598306780.db2.gz OQQGSJMUOAMWIM-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738099853 598309890 /nfs/dbraw/zinc/30/98/90/598309890.db2.gz KCKGSVGNCQYDME-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738099853 598309892 /nfs/dbraw/zinc/30/98/92/598309892.db2.gz KCKGSVGNCQYDME-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823443436 607356439 /nfs/dbraw/zinc/35/64/39/607356439.db2.gz CLSCCKDFAHVWSV-MRXNPFEDSA-N -1 3 398.354 2.488 20 5 GEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000738178574 598457063 /nfs/dbraw/zinc/45/70/63/598457063.db2.gz WNYVZCZXHUEWQA-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000738178574 598457064 /nfs/dbraw/zinc/45/70/64/598457064.db2.gz WNYVZCZXHUEWQA-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737082859 598495358 /nfs/dbraw/zinc/49/53/58/598495358.db2.gz LDCRHFRDAHFCAJ-LLVKDONJSA-N -1 3 382.380 2.203 20 5 GEBDHM COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737082859 598495359 /nfs/dbraw/zinc/49/53/59/598495359.db2.gz LDCRHFRDAHFCAJ-LLVKDONJSA-N -1 3 382.380 2.203 20 5 GEBDHM O=C1CCCN1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000738304333 598499555 /nfs/dbraw/zinc/49/95/55/598499555.db2.gz XLKQFUDLVBLRIJ-UHFFFAOYSA-N -1 3 380.368 2.036 20 5 GEBDHM O=C1CCCN1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000738304333 598499557 /nfs/dbraw/zinc/49/95/57/598499557.db2.gz XLKQFUDLVBLRIJ-UHFFFAOYSA-N -1 3 380.368 2.036 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826401331 607359208 /nfs/dbraw/zinc/35/92/08/607359208.db2.gz VRXSHZGGJWSRJZ-TWGQIWQCSA-N -1 3 379.332 2.214 20 5 GEBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826401331 607359210 /nfs/dbraw/zinc/35/92/10/607359210.db2.gz VRXSHZGGJWSRJZ-TWGQIWQCSA-N -1 3 379.332 2.214 20 5 GEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000738320163 598567489 /nfs/dbraw/zinc/56/74/89/598567489.db2.gz RUGSPCOBSKURCP-ACAGNQJTSA-N -1 3 398.285 2.398 20 5 GEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000738320163 598567491 /nfs/dbraw/zinc/56/74/91/598567491.db2.gz RUGSPCOBSKURCP-ACAGNQJTSA-N -1 3 398.285 2.398 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000738374701 598581084 /nfs/dbraw/zinc/58/10/84/598581084.db2.gz SEBWLVPLLRYNQT-MRXNPFEDSA-N -1 3 377.364 2.469 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000738374701 598581086 /nfs/dbraw/zinc/58/10/86/598581086.db2.gz SEBWLVPLLRYNQT-MRXNPFEDSA-N -1 3 377.364 2.469 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737850384 598708602 /nfs/dbraw/zinc/70/86/02/598708602.db2.gz VXOLIEXHAQAIDV-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737850384 598708604 /nfs/dbraw/zinc/70/86/04/598708604.db2.gz VXOLIEXHAQAIDV-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000738296022 598775791 /nfs/dbraw/zinc/77/57/91/598775791.db2.gz JACRJBPIBAMYDO-AWEZNQCLSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000738296022 598775793 /nfs/dbraw/zinc/77/57/93/598775793.db2.gz JACRJBPIBAMYDO-AWEZNQCLSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738196271 598806608 /nfs/dbraw/zinc/80/66/08/598806608.db2.gz VNBGGYLKCVAEAG-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738196271 598806609 /nfs/dbraw/zinc/80/66/09/598806609.db2.gz VNBGGYLKCVAEAG-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM CN(Cc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821615866 599320377 /nfs/dbraw/zinc/32/03/77/599320377.db2.gz RVTXTCZJZDZGPA-UHFFFAOYSA-N -1 3 395.423 2.248 20 5 GEBDHM CN(Cc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821615866 599320380 /nfs/dbraw/zinc/32/03/80/599320380.db2.gz RVTXTCZJZDZGPA-UHFFFAOYSA-N -1 3 395.423 2.248 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(c3cccc(Cl)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000823652296 599341098 /nfs/dbraw/zinc/34/10/98/599341098.db2.gz ZCAUMFUJYBBMMW-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(c3cccc(Cl)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000823652296 599341100 /nfs/dbraw/zinc/34/11/00/599341100.db2.gz ZCAUMFUJYBBMMW-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)ccc1[N+](=O)[O-] ZINC000822211481 599360793 /nfs/dbraw/zinc/36/07/93/599360793.db2.gz AOADUTRHYFGOPB-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)ccc1[N+](=O)[O-] ZINC000822211481 599360794 /nfs/dbraw/zinc/36/07/94/599360794.db2.gz AOADUTRHYFGOPB-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCn2c(nnc2-c2ccccc2)C1 ZINC000823630226 599361177 /nfs/dbraw/zinc/36/11/77/599361177.db2.gz SGZHORKKBDFXBC-UHFFFAOYSA-N -1 3 389.379 2.054 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCn2c(nnc2-c2ccccc2)C1 ZINC000823630226 599361180 /nfs/dbraw/zinc/36/11/80/599361180.db2.gz SGZHORKKBDFXBC-UHFFFAOYSA-N -1 3 389.379 2.054 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823635499 607383018 /nfs/dbraw/zinc/38/30/18/607383018.db2.gz YNIGIFLDHVNPHZ-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823635499 607383020 /nfs/dbraw/zinc/38/30/20/607383020.db2.gz YNIGIFLDHVNPHZ-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000821617847 599559365 /nfs/dbraw/zinc/55/93/65/599559365.db2.gz FOBFDGDYDYIORN-UHFFFAOYSA-N -1 3 392.379 2.457 20 5 GEBDHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000821617847 599559366 /nfs/dbraw/zinc/55/93/66/599559366.db2.gz FOBFDGDYDYIORN-UHFFFAOYSA-N -1 3 392.379 2.457 20 5 GEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820570062 599566086 /nfs/dbraw/zinc/56/60/86/599566086.db2.gz CPWNVINFWGCNGV-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820570062 599566088 /nfs/dbraw/zinc/56/60/88/599566088.db2.gz CPWNVINFWGCNGV-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000826252002 607384376 /nfs/dbraw/zinc/38/43/76/607384376.db2.gz KCTWKNHLJRLHTK-UHFFFAOYSA-N -1 3 397.347 2.307 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000826252002 607384378 /nfs/dbraw/zinc/38/43/78/607384378.db2.gz KCTWKNHLJRLHTK-UHFFFAOYSA-N -1 3 397.347 2.307 20 5 GEBDHM Cc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822241170 599588739 /nfs/dbraw/zinc/58/87/39/599588739.db2.gz NENVPKYGHZNOCG-INIZCTEOSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241170 599588743 /nfs/dbraw/zinc/58/87/43/599588743.db2.gz NENVPKYGHZNOCG-INIZCTEOSA-N -1 3 379.380 2.301 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000823445156 599649181 /nfs/dbraw/zinc/64/91/81/599649181.db2.gz UVQISNXPHBCQET-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000823445156 599649182 /nfs/dbraw/zinc/64/91/82/599649182.db2.gz UVQISNXPHBCQET-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM Cc1cc(C(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)ccc1[N+](=O)[O-] ZINC000826260844 607468010 /nfs/dbraw/zinc/46/80/10/607468010.db2.gz GZKKYWUFGOMLEV-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM Cc1cc(C(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)ccc1[N+](=O)[O-] ZINC000826260844 607468011 /nfs/dbraw/zinc/46/80/11/607468011.db2.gz GZKKYWUFGOMLEV-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM CC(=O)c1ccc(OCC(=O)Nc2sccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824029554 607538914 /nfs/dbraw/zinc/53/89/14/607538914.db2.gz NDASEKNCLSYLHA-UHFFFAOYSA-N -1 3 388.365 2.057 20 5 GEBDHM CC(=O)c1ccc(OCC(=O)Nc2sccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000824029554 607538915 /nfs/dbraw/zinc/53/89/15/607538915.db2.gz NDASEKNCLSYLHA-UHFFFAOYSA-N -1 3 388.365 2.057 20 5 GEBDHM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)cc1Cl ZINC000833307922 602252632 /nfs/dbraw/zinc/25/26/32/602252632.db2.gz UKDKFLFZXGJKFQ-UHFFFAOYSA-N -1 3 383.832 2.495 20 5 GEBDHM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000739100782 602432147 /nfs/dbraw/zinc/43/21/47/602432147.db2.gz PHYNJZLKIYTWBT-SCLBCKFNSA-N -1 3 378.429 2.364 20 5 GEBDHM COc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1-c1nnn[n-]1 ZINC000826200646 607592813 /nfs/dbraw/zinc/59/28/13/607592813.db2.gz APQSAAUUARPSQE-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM COc1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1-c1nn[n-]n1 ZINC000826200646 607592815 /nfs/dbraw/zinc/59/28/15/607592815.db2.gz APQSAAUUARPSQE-UHFFFAOYSA-N -1 3 393.363 2.195 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826497382 607734455 /nfs/dbraw/zinc/73/44/55/607734455.db2.gz FRHSJMAYYIABRU-NHYWBVRUSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826497382 607734456 /nfs/dbraw/zinc/73/44/56/607734456.db2.gz FRHSJMAYYIABRU-NHYWBVRUSA-N -1 3 388.334 2.365 20 5 GEBDHM C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833615060 605391877 /nfs/dbraw/zinc/39/18/77/605391877.db2.gz ZUCJRWUZYZWYRP-LBPRGKRZSA-N -1 3 399.469 2.082 20 5 GEBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000821123247 606193102 /nfs/dbraw/zinc/19/31/02/606193102.db2.gz OCRGQQIOQMVRJL-UHFFFAOYSA-N -1 3 382.384 2.431 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000821666732 606351543 /nfs/dbraw/zinc/35/15/43/606351543.db2.gz BMCYQCVJFPTILJ-SNVBAGLBSA-N -1 3 397.347 2.480 20 5 GEBDHM COC(=O)c1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000821666732 606351545 /nfs/dbraw/zinc/35/15/45/606351545.db2.gz BMCYQCVJFPTILJ-SNVBAGLBSA-N -1 3 397.347 2.480 20 5 GEBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823665608 606389992 /nfs/dbraw/zinc/38/99/92/606389992.db2.gz SBVGSIOGMAKLBM-VQHVLOKHSA-N -1 3 393.388 2.491 20 5 GEBDHM O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823299445 606499836 /nfs/dbraw/zinc/49/98/36/606499836.db2.gz XOVPRICOMUPKBZ-UHFFFAOYSA-N -1 3 388.365 2.250 20 5 GEBDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000820151251 606530554 /nfs/dbraw/zinc/53/05/54/606530554.db2.gz DZZOAMQBRQHRRO-UHFFFAOYSA-N -1 3 383.368 2.397 20 5 GEBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000820151251 606530555 /nfs/dbraw/zinc/53/05/55/606530555.db2.gz DZZOAMQBRQHRRO-UHFFFAOYSA-N -1 3 383.368 2.397 20 5 GEBDHM CC(C)(NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000819988218 606545479 /nfs/dbraw/zinc/54/54/79/606545479.db2.gz URNTXXXTFOFWIZ-UHFFFAOYSA-N -1 3 382.380 2.205 20 5 GEBDHM CC(C)(NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819988218 606545480 /nfs/dbraw/zinc/54/54/80/606545480.db2.gz URNTXXXTFOFWIZ-UHFFFAOYSA-N -1 3 382.380 2.205 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822203217 606561121 /nfs/dbraw/zinc/56/11/21/606561121.db2.gz JLTPUSIZUQUXEQ-UHFFFAOYSA-N -1 3 387.327 2.458 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822203217 606561123 /nfs/dbraw/zinc/56/11/23/606561123.db2.gz JLTPUSIZUQUXEQ-UHFFFAOYSA-N -1 3 387.327 2.458 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822271094 606642972 /nfs/dbraw/zinc/64/29/72/606642972.db2.gz MCKXANSGORTURT-UHFFFAOYSA-N -1 3 397.399 2.020 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822271094 606642973 /nfs/dbraw/zinc/64/29/73/606642973.db2.gz MCKXANSGORTURT-UHFFFAOYSA-N -1 3 397.399 2.020 20 5 GEBDHM O=C(c1ccoc1)N1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000823498165 606645200 /nfs/dbraw/zinc/64/52/00/606645200.db2.gz FXHFCEWAIGQLDU-UHFFFAOYSA-N -1 3 383.368 2.085 20 5 GEBDHM CC(C)(C)OC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000819939982 606645539 /nfs/dbraw/zinc/64/55/39/606645539.db2.gz MVEKPJZUACTJGJ-UHFFFAOYSA-N -1 3 389.416 2.268 20 5 GEBDHM COCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821693280 606728229 /nfs/dbraw/zinc/72/82/29/606728229.db2.gz ZYSOCZCRHGCOHN-UHFFFAOYSA-N -1 3 385.384 2.116 20 5 GEBDHM COCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821693280 606728230 /nfs/dbraw/zinc/72/82/30/606728230.db2.gz ZYSOCZCRHGCOHN-UHFFFAOYSA-N -1 3 385.384 2.116 20 5 GEBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820087009 606802394 /nfs/dbraw/zinc/80/23/94/606802394.db2.gz JMTVZVDYSZCHCL-UHFFFAOYSA-N -1 3 381.396 2.468 20 5 GEBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820087009 606802396 /nfs/dbraw/zinc/80/23/96/606802396.db2.gz JMTVZVDYSZCHCL-UHFFFAOYSA-N -1 3 381.396 2.468 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821896869 606809678 /nfs/dbraw/zinc/80/96/78/606809678.db2.gz CWUWVHVDQRGLBZ-GFCCVEGCSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821896869 606809680 /nfs/dbraw/zinc/80/96/80/606809680.db2.gz CWUWVHVDQRGLBZ-GFCCVEGCSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000821863717 607040215 /nfs/dbraw/zinc/04/02/15/607040215.db2.gz NJRKWKMSYWNKFW-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000821863717 607040216 /nfs/dbraw/zinc/04/02/16/607040216.db2.gz NJRKWKMSYWNKFW-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000819996906 607047663 /nfs/dbraw/zinc/04/76/63/607047663.db2.gz NIMLIQCFHPVSBW-UHFFFAOYSA-N -1 3 396.407 2.291 20 5 GEBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000819996906 607047665 /nfs/dbraw/zinc/04/76/65/607047665.db2.gz NIMLIQCFHPVSBW-UHFFFAOYSA-N -1 3 396.407 2.291 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000822222593 607051178 /nfs/dbraw/zinc/05/11/78/607051178.db2.gz NCWKLNFZFUABQL-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000822222593 607051179 /nfs/dbraw/zinc/05/11/79/607051179.db2.gz NCWKLNFZFUABQL-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000821305107 607101177 /nfs/dbraw/zinc/10/11/77/607101177.db2.gz XHKHQXFRLLLFCE-UHFFFAOYSA-N -1 3 399.415 2.049 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822212699 607143293 /nfs/dbraw/zinc/14/32/93/607143293.db2.gz CXASRMTWLWAARY-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822212699 607143294 /nfs/dbraw/zinc/14/32/94/607143294.db2.gz CXASRMTWLWAARY-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])NCc1cccc(-c2nnn[n-]2)c1 ZINC000823032107 607158956 /nfs/dbraw/zinc/15/89/56/607158956.db2.gz NAQDQPHCJNBPGN-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])NCc1cccc(-c2nn[n-]n2)c1 ZINC000823032107 607158958 /nfs/dbraw/zinc/15/89/58/607158958.db2.gz NAQDQPHCJNBPGN-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM COc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821846767 607170788 /nfs/dbraw/zinc/17/07/88/607170788.db2.gz ZVPQWSPSEVDYEC-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821846767 607170789 /nfs/dbraw/zinc/17/07/89/607170789.db2.gz ZVPQWSPSEVDYEC-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823122519 607244742 /nfs/dbraw/zinc/24/47/42/607244742.db2.gz DTOQGXBTQAFVJD-UHFFFAOYSA-N -1 3 382.311 2.474 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823122519 607244743 /nfs/dbraw/zinc/24/47/43/607244743.db2.gz DTOQGXBTQAFVJD-UHFFFAOYSA-N -1 3 382.311 2.474 20 5 GEBDHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826322497 607869306 /nfs/dbraw/zinc/86/93/06/607869306.db2.gz PCOCMQGHZQTXSN-MRXNPFEDSA-N -1 3 392.379 2.075 20 5 GEBDHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826322497 607869307 /nfs/dbraw/zinc/86/93/07/607869307.db2.gz PCOCMQGHZQTXSN-MRXNPFEDSA-N -1 3 392.379 2.075 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000826497875 607869421 /nfs/dbraw/zinc/86/94/21/607869421.db2.gz XJHRDGVZAOAWRT-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000826497875 607869422 /nfs/dbraw/zinc/86/94/22/607869422.db2.gz XJHRDGVZAOAWRT-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COc1cccc2[nH]ccc21 ZINC000826497359 607873460 /nfs/dbraw/zinc/87/34/60/607873460.db2.gz FADAAPLXUAICGU-GFCCVEGCSA-N -1 3 396.363 2.075 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1cccc2[nH]ccc21 ZINC000826497359 607873461 /nfs/dbraw/zinc/87/34/61/607873461.db2.gz FADAAPLXUAICGU-GFCCVEGCSA-N -1 3 396.363 2.075 20 5 GEBDHM CCc1cccc(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000825722439 607876290 /nfs/dbraw/zinc/87/62/90/607876290.db2.gz GIICNPYVPADVGI-ZDUSSCGKSA-N -1 3 385.380 2.156 20 5 GEBDHM CCc1cccc(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000825722439 607876291 /nfs/dbraw/zinc/87/62/91/607876291.db2.gz GIICNPYVPADVGI-ZDUSSCGKSA-N -1 3 385.380 2.156 20 5 GEBDHM Cc1cc(C)cc(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826264195 607876363 /nfs/dbraw/zinc/87/63/63/607876363.db2.gz FTLBWKNIHXCPNU-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cc(C)cc(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826264195 607876364 /nfs/dbraw/zinc/87/63/64/607876364.db2.gz FTLBWKNIHXCPNU-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000825958434 607981119 /nfs/dbraw/zinc/98/11/19/607981119.db2.gz WIGGUICPVJPYNN-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000825958434 607981120 /nfs/dbraw/zinc/98/11/20/607981120.db2.gz WIGGUICPVJPYNN-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000824755843 608002195 /nfs/dbraw/zinc/00/21/95/608002195.db2.gz LUEXGQUEUFUWPH-VIFPVBQESA-N -1 3 394.351 2.057 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000824755843 608002196 /nfs/dbraw/zinc/00/21/96/608002196.db2.gz LUEXGQUEUFUWPH-VIFPVBQESA-N -1 3 394.351 2.057 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826258360 608081743 /nfs/dbraw/zinc/08/17/43/608081743.db2.gz IRZNIEMWOSUIKB-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826258360 608081744 /nfs/dbraw/zinc/08/17/44/608081744.db2.gz IRZNIEMWOSUIKB-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826472954 608085605 /nfs/dbraw/zinc/08/56/05/608085605.db2.gz DLVUALJTLMXTAO-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826472954 608085606 /nfs/dbraw/zinc/08/56/06/608085606.db2.gz DLVUALJTLMXTAO-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826464236 608105140 /nfs/dbraw/zinc/10/51/40/608105140.db2.gz OFVYPSNMNGDFHB-UHFFFAOYSA-N -1 3 394.347 2.492 20 5 GEBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826464236 608105141 /nfs/dbraw/zinc/10/51/41/608105141.db2.gz OFVYPSNMNGDFHB-UHFFFAOYSA-N -1 3 394.347 2.492 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000826162157 608137586 /nfs/dbraw/zinc/13/75/86/608137586.db2.gz PKXIREBNNHAKFQ-UHFFFAOYSA-N -1 3 390.381 2.114 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000826162157 608137587 /nfs/dbraw/zinc/13/75/87/608137587.db2.gz PKXIREBNNHAKFQ-UHFFFAOYSA-N -1 3 390.381 2.114 20 5 GEBDHM CC1=C(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C(=O)OC1(C)C ZINC000824852864 608160987 /nfs/dbraw/zinc/16/09/87/608160987.db2.gz SKPMHEZSHTVXPF-UHFFFAOYSA-N -1 3 392.759 2.019 20 5 GEBDHM CC1=C(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C(=O)OC1(C)C ZINC000824852864 608160989 /nfs/dbraw/zinc/16/09/89/608160989.db2.gz SKPMHEZSHTVXPF-UHFFFAOYSA-N -1 3 392.759 2.019 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCO[C@]4(CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499442 608198809 /nfs/dbraw/zinc/19/88/09/608198809.db2.gz IXBFCBMYHGXSFI-BBATYDOGSA-N -1 3 397.395 2.073 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCO[C@]4(CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499442 608198810 /nfs/dbraw/zinc/19/88/10/608198810.db2.gz IXBFCBMYHGXSFI-BBATYDOGSA-N -1 3 397.395 2.073 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826501943 608397959 /nfs/dbraw/zinc/39/79/59/608397959.db2.gz NISNTPSPYGRVGM-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826501943 608397960 /nfs/dbraw/zinc/39/79/60/608397960.db2.gz NISNTPSPYGRVGM-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM C[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824499933 608417775 /nfs/dbraw/zinc/41/77/75/608417775.db2.gz SWLRPJGGMHNACY-LBPRGKRZSA-N -1 3 397.395 2.214 20 5 GEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825957836 608525705 /nfs/dbraw/zinc/52/57/05/608525705.db2.gz HXAFASWJXMAOKN-UHFFFAOYSA-N -1 3 382.380 2.178 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825957836 608525706 /nfs/dbraw/zinc/52/57/06/608525706.db2.gz HXAFASWJXMAOKN-UHFFFAOYSA-N -1 3 382.380 2.178 20 5 GEBDHM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000826499220 608559411 /nfs/dbraw/zinc/55/94/11/608559411.db2.gz ZZOIPMZXSAVBFF-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000826499220 608559413 /nfs/dbraw/zinc/55/94/13/608559413.db2.gz ZZOIPMZXSAVBFF-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826498943 608645953 /nfs/dbraw/zinc/64/59/53/608645953.db2.gz PKJFGFGMWHMKOX-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)cc1 ZINC000826498943 608645955 /nfs/dbraw/zinc/64/59/55/608645955.db2.gz PKJFGFGMWHMKOX-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826498758 608668867 /nfs/dbraw/zinc/66/88/67/608668867.db2.gz IPKNAKJJXQOWTO-LLVKDONJSA-N -1 3 381.400 2.085 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826498758 608668868 /nfs/dbraw/zinc/66/88/68/608668868.db2.gz IPKNAKJJXQOWTO-LLVKDONJSA-N -1 3 381.400 2.085 20 5 GEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824296728 609210084 /nfs/dbraw/zinc/21/00/84/609210084.db2.gz KNYHQCCKNSHQRG-KRWDZBQOSA-N -1 3 396.407 2.246 20 5 GEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824296728 609210086 /nfs/dbraw/zinc/21/00/86/609210086.db2.gz KNYHQCCKNSHQRG-KRWDZBQOSA-N -1 3 396.407 2.246 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826454374 609379518 /nfs/dbraw/zinc/37/95/18/609379518.db2.gz UFXRCCWRIPZCAV-UHFFFAOYSA-N -1 3 386.328 2.171 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826454374 609379522 /nfs/dbraw/zinc/37/95/22/609379522.db2.gz UFXRCCWRIPZCAV-UHFFFAOYSA-N -1 3 386.328 2.171 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453785 609384133 /nfs/dbraw/zinc/38/41/33/609384133.db2.gz ZMAYNEMCYSUMDE-HNNXBMFYSA-N -1 3 397.326 2.046 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453785 609384134 /nfs/dbraw/zinc/38/41/34/609384134.db2.gz ZMAYNEMCYSUMDE-HNNXBMFYSA-N -1 3 397.326 2.046 20 5 GEBDHM Cc1c(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000826242231 609391637 /nfs/dbraw/zinc/39/16/37/609391637.db2.gz GGJDNEMQLYQEJB-UHFFFAOYSA-N -1 3 382.365 2.340 20 5 GEBDHM Cc1c(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000826242231 609391638 /nfs/dbraw/zinc/39/16/38/609391638.db2.gz GGJDNEMQLYQEJB-UHFFFAOYSA-N -1 3 382.365 2.340 20 5 GEBDHM O=C1[C@@H](Oc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477675 609428496 /nfs/dbraw/zinc/42/84/96/609428496.db2.gz IXZLXYHMXKHHDR-INIZCTEOSA-N -1 3 380.364 2.349 20 5 GEBDHM O=C1[C@@H](Oc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477675 609428500 /nfs/dbraw/zinc/42/85/00/609428500.db2.gz IXZLXYHMXKHHDR-INIZCTEOSA-N -1 3 380.364 2.349 20 5 GEBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000825627100 609445910 /nfs/dbraw/zinc/44/59/10/609445910.db2.gz TVMCGCMWRSGHOM-UHFFFAOYSA-N -1 3 398.335 2.155 20 5 GEBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000825627100 609445912 /nfs/dbraw/zinc/44/59/12/609445912.db2.gz TVMCGCMWRSGHOM-UHFFFAOYSA-N -1 3 398.335 2.155 20 5 GEBDHM O=C(c1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826474166 609606851 /nfs/dbraw/zinc/60/68/51/609606851.db2.gz DHXKUTRVZJOVFL-UHFFFAOYSA-N -1 3 393.407 2.492 20 5 GEBDHM O=C(c1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826474166 609606852 /nfs/dbraw/zinc/60/68/52/609606852.db2.gz DHXKUTRVZJOVFL-UHFFFAOYSA-N -1 3 393.407 2.492 20 5 GEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000447028255 649994852 /nfs/dbraw/zinc/99/48/52/649994852.db2.gz NMGMQUJQPVWGSB-NEPJUHHUSA-N -1 3 393.259 2.449 20 5 GEBDHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451984041 650161445 /nfs/dbraw/zinc/16/14/45/650161445.db2.gz VJZMONYKMVSGKQ-NSHDSACASA-N -1 3 379.232 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2(CCO)CCC2)c1 ZINC000127338606 643771448 /nfs/dbraw/zinc/77/14/48/643771448.db2.gz HFBYHLDOBFYFOL-UHFFFAOYSA-N -1 3 393.259 2.188 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000132930610 643888263 /nfs/dbraw/zinc/88/82/63/643888263.db2.gz AQFGMVJABXKTCZ-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc([O-])ccc1Cl ZINC000499444889 650884389 /nfs/dbraw/zinc/88/43/89/650884389.db2.gz XAAVGYDJZLJLKX-UHFFFAOYSA-N -1 3 384.797 2.158 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000269473075 646038009 /nfs/dbraw/zinc/03/80/09/646038009.db2.gz MCNZMWKTWYWECL-DTWKUNHWSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000269495105 646041313 /nfs/dbraw/zinc/04/13/13/646041313.db2.gz UUUGBTSLALEMHX-LDYMZIIASA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCn2ccnc2)c(Cl)cc1Cl ZINC000289286962 646928580 /nfs/dbraw/zinc/92/85/80/646928580.db2.gz GHPHFMLDEWLSAK-UHFFFAOYSA-N -1 3 379.225 2.467 20 5 GEBDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295680420 647237252 /nfs/dbraw/zinc/23/72/52/647237252.db2.gz IAFYPVNTCXNOSC-VIFPVBQESA-N -1 3 381.248 2.187 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](O)C(C)C ZINC000416635039 648195183 /nfs/dbraw/zinc/19/51/83/648195183.db2.gz ZMOQURNGEVZIID-DGCLKSJQSA-N -1 3 395.275 2.431 20 5 GEBDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000425187651 648669937 /nfs/dbraw/zinc/66/99/37/648669937.db2.gz GFLRCGBXTUWLJG-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-]CC2CCN(CC(F)F)CC2)c([N+](=O)[O-])s1 ZINC000603368672 651485844 /nfs/dbraw/zinc/48/58/44/651485844.db2.gz DLYJGDFUOVHLJW-UHFFFAOYSA-N -1 3 383.442 2.220 20 5 GEBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000604043469 651508122 /nfs/dbraw/zinc/50/81/22/651508122.db2.gz KUSRACFZXSWGOH-UHFFFAOYSA-N -1 3 376.312 2.499 20 5 GEBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000612684547 651765265 /nfs/dbraw/zinc/76/52/65/651765265.db2.gz SZKPEHCXKVWFEC-RRFJBIMHSA-N -1 3 390.845 2.253 20 5 GEBDHM CC[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000616461387 651901441 /nfs/dbraw/zinc/90/14/41/651901441.db2.gz ZJUPCMVTTKXYIU-GFCCVEGCSA-N -1 3 379.232 2.205 20 5 GEBDHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000761344006 652644810 /nfs/dbraw/zinc/64/48/10/652644810.db2.gz VJYNCJHANKHUME-QMMMGPOBSA-N -1 3 386.760 2.032 20 5 GEBDHM CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594808616 652684627 /nfs/dbraw/zinc/68/46/27/652684627.db2.gz OHUJNRJHSJLFOZ-MPKXVKKWSA-N -1 3 392.861 2.093 20 5 GEBDHM NC(=O)CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000595386185 652718058 /nfs/dbraw/zinc/71/80/58/652718058.db2.gz AYLXUMNSHCTFFQ-UHFFFAOYSA-N -1 3 389.861 2.352 20 5 GEBDHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599410215 652868749 /nfs/dbraw/zinc/86/87/49/652868749.db2.gz FSNVNVLOULOJKC-SNVBAGLBSA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000805142879 653101694 /nfs/dbraw/zinc/10/16/94/653101694.db2.gz ZCCOEAVIRRXWDK-NSHDSACASA-N -1 3 379.341 2.239 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000768910744 653137604 /nfs/dbraw/zinc/13/76/04/653137604.db2.gz YIPHHKDQAIIKQS-SECBINFHSA-N -1 3 393.849 2.440 20 5 GEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000778333754 653438445 /nfs/dbraw/zinc/43/84/45/653438445.db2.gz HEZHPYAMMDTCDX-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)N(CC)CC ZINC000778596713 653448847 /nfs/dbraw/zinc/44/88/47/653448847.db2.gz XCMODBVBELGPOB-ZDUSSCGKSA-N -1 3 391.877 2.482 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000859367883 653451396 /nfs/dbraw/zinc/45/13/96/653451396.db2.gz OELVXXBNJZNWAJ-BXKDBHETSA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c1 ZINC000784452123 653694672 /nfs/dbraw/zinc/69/46/72/653694672.db2.gz PEMYLDALKGKOEJ-SECBINFHSA-N -1 3 379.232 2.062 20 5 GEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000790398653 653790911 /nfs/dbraw/zinc/79/09/11/653790911.db2.gz KQKIGBXDQNXSKU-UHFFFAOYSA-N -1 3 376.316 2.400 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823323351 653862978 /nfs/dbraw/zinc/86/29/78/653862978.db2.gz LJHHMXBLFNLSIY-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823323351 653862981 /nfs/dbraw/zinc/86/29/81/653862981.db2.gz LJHHMXBLFNLSIY-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM Cc1cc(=O)[n-]c(N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)n1 ZINC000884703489 653885348 /nfs/dbraw/zinc/88/53/48/653885348.db2.gz BELVRNDUOAHCGK-UHFFFAOYSA-N -1 3 394.229 2.488 20 5 GEBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)no1 ZINC000920316817 654210232 /nfs/dbraw/zinc/21/02/32/654210232.db2.gz FXCMSPNIDKAOEQ-UHFFFAOYSA-N -1 3 376.188 2.132 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COC[C@H]2C2CC2)c(Br)c1 ZINC000908412752 654627743 /nfs/dbraw/zinc/62/77/43/654627743.db2.gz VPEBMNYLWMWIES-JQWIXIFHSA-N -1 3 391.243 2.061 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-]CCOC2CCSCC2)c(F)cc1[N+](=O)[O-] ZINC000908452663 654630462 /nfs/dbraw/zinc/63/04/62/654630462.db2.gz QLHUDAZVADMGEU-UHFFFAOYSA-N -1 3 378.447 2.233 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000154831416 531634921 /nfs/dbraw/zinc/63/49/21/531634921.db2.gz FFTUVBBUFVMXBF-UHFFFAOYSA-N -1 3 389.842 2.018 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000044894887 531688498 /nfs/dbraw/zinc/68/84/98/531688498.db2.gz ANZCHACNFDGZTD-UHFFFAOYSA-N -1 3 388.398 2.247 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000056090743 531805042 /nfs/dbraw/zinc/80/50/42/531805042.db2.gz LVCMNMMERYICIC-UHFFFAOYSA-N -1 3 389.842 2.018 20 5 GEBDHM O=C(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000056130376 531808820 /nfs/dbraw/zinc/80/88/20/531808820.db2.gz ZFSOTNNJDRKIGD-UHFFFAOYSA-N -1 3 389.861 2.366 20 5 GEBDHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000162936618 531853498 /nfs/dbraw/zinc/85/34/98/531853498.db2.gz FFEBTMKJWDOPPE-JTQLQIEISA-N -1 3 381.376 2.376 20 5 GEBDHM CCNC(=O)c1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123186190 532094993 /nfs/dbraw/zinc/09/49/93/532094993.db2.gz CIMRRVCMAGOOKE-UHFFFAOYSA-N -1 3 383.451 2.193 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(C(=O)CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000123332018 532098790 /nfs/dbraw/zinc/09/87/90/532098790.db2.gz RCCHENJWMJMHRO-UHFFFAOYSA-N -1 3 389.499 2.280 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123530141 532101718 /nfs/dbraw/zinc/10/17/18/532101718.db2.gz RIEBNWOXVOXSBA-UWVGGRQHSA-N -1 3 375.472 2.033 20 5 GEBDHM Cc1ccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000177849664 532184803 /nfs/dbraw/zinc/18/48/03/532184803.db2.gz BRVIFOVOQWSZKA-LLVKDONJSA-N -1 3 383.451 2.120 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)c1 ZINC000133963282 532247256 /nfs/dbraw/zinc/24/72/56/532247256.db2.gz YNZBTICLJNQWNP-ZANVPECISA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000134052156 532249167 /nfs/dbraw/zinc/24/91/67/532249167.db2.gz NQSKYWXTHNAJIC-CABZTGNLSA-N -1 3 382.360 2.443 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000182531503 532314436 /nfs/dbraw/zinc/31/44/36/532314436.db2.gz SQJJOSZGIXCJTI-VIFPVBQESA-N -1 3 377.850 2.138 20 5 GEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000427138588 532413466 /nfs/dbraw/zinc/41/34/66/532413466.db2.gz YZMTVZQRHPKBEO-UHFFFAOYSA-N -1 3 383.158 2.428 20 5 GEBDHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295193213 532416743 /nfs/dbraw/zinc/41/67/43/532416743.db2.gz ATPVAJSJCYOVHD-QMMMGPOBSA-N -1 3 381.248 2.185 20 5 GEBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000295247647 532425203 /nfs/dbraw/zinc/42/52/03/532425203.db2.gz KCAKAOYQSTVEDZ-UHFFFAOYSA-N -1 3 381.248 2.044 20 5 GEBDHM CCn1ccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295266212 532426963 /nfs/dbraw/zinc/42/69/63/532426963.db2.gz DNSLVJJDMFXSAG-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193984952 532441348 /nfs/dbraw/zinc/44/13/48/532441348.db2.gz IEBUNMMBCLMQDU-UHFFFAOYSA-N -1 3 376.312 2.499 20 5 GEBDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467067418 532437768 /nfs/dbraw/zinc/43/77/68/532437768.db2.gz BNADOLVHISPQNI-QMTHXVAHSA-N -1 3 376.456 2.365 20 5 GEBDHM CCn1ccnc1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000295433382 532445769 /nfs/dbraw/zinc/44/57/69/532445769.db2.gz JLGWEQALDIXIMC-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000295440955 532447505 /nfs/dbraw/zinc/44/75/05/532447505.db2.gz YGUPXASLLFMESD-UHFFFAOYSA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)nc1 ZINC000593612729 532490132 /nfs/dbraw/zinc/49/01/32/532490132.db2.gz NJMISSRJTKBHBB-LBPRGKRZSA-N -1 3 381.435 2.212 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1sccc1C ZINC000469359565 532502262 /nfs/dbraw/zinc/50/22/62/532502262.db2.gz GZOPKHARGIAREG-UHFFFAOYSA-N -1 3 384.435 2.272 20 5 GEBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000296228508 532508083 /nfs/dbraw/zinc/50/80/83/532508083.db2.gz OGTPGHBBBMEQLU-VIFPVBQESA-N -1 3 386.348 2.239 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000469310443 532500813 /nfs/dbraw/zinc/50/08/13/532500813.db2.gz VRABOOOQMVJRLW-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM COC(=O)c1cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])cc(Br)c1F ZINC000432349860 532535305 /nfs/dbraw/zinc/53/53/05/532535305.db2.gz XJFNXEZJVCPJMO-UHFFFAOYSA-N -1 3 387.121 2.258 20 5 GEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595353614 532559755 /nfs/dbraw/zinc/55/97/55/532559755.db2.gz IQDLMNYKYAKDQL-NSHDSACASA-N -1 3 381.376 2.376 20 5 GEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000595353751 532560173 /nfs/dbraw/zinc/56/01/73/532560173.db2.gz KBGHYBVMDGMYQJ-NSHDSACASA-N -1 3 392.275 2.120 20 5 GEBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000433347663 532562775 /nfs/dbraw/zinc/56/27/75/532562775.db2.gz OPDWITYOTKNCJU-UHFFFAOYSA-N -1 3 384.801 2.080 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000599372378 532659476 /nfs/dbraw/zinc/65/94/76/532659476.db2.gz IUHVJAJWIJPVIP-NSHDSACASA-N -1 3 378.332 2.182 20 5 GEBDHM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285508798 532686431 /nfs/dbraw/zinc/68/64/31/532686431.db2.gz QQZKIFVIMQYIFK-BXUZGUMPSA-N -1 3 389.861 2.220 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)c(Cl)c1 ZINC000501154707 532738696 /nfs/dbraw/zinc/73/86/96/532738696.db2.gz KWYFWLLCPHKCGH-GFCCVEGCSA-N -1 3 388.804 2.269 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000268247515 532758063 /nfs/dbraw/zinc/75/80/63/532758063.db2.gz OCWRJMCJEOJXTC-LLVKDONJSA-N -1 3 378.834 2.031 20 5 GEBDHM COCc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 ZINC000290036716 532870842 /nfs/dbraw/zinc/87/08/42/532870842.db2.gz CGWPPSNTDWZNFF-UHFFFAOYSA-N -1 3 375.403 2.124 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCN(C2CC2)C1 ZINC000416396036 532875432 /nfs/dbraw/zinc/87/54/32/532875432.db2.gz ZCEHCXHGDONATQ-SNVBAGLBSA-N -1 3 379.360 2.129 20 5 GEBDHM CSC[C@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416460345 532877948 /nfs/dbraw/zinc/87/79/48/532877948.db2.gz LMEOMZYJUJEYPS-VIFPVBQESA-N -1 3 388.389 2.006 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)s1 ZINC000420458063 532883901 /nfs/dbraw/zinc/88/39/01/532883901.db2.gz IJWSKGGIPUBZCI-CHWSQXEVSA-N -1 3 385.442 2.219 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCCC2(O)CCC2)c1 ZINC000420723488 532885525 /nfs/dbraw/zinc/88/55/25/532885525.db2.gz YMRUXZRGHJIVNV-UHFFFAOYSA-N -1 3 393.259 2.331 20 5 GEBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276209017 532891020 /nfs/dbraw/zinc/89/10/20/532891020.db2.gz KVPSTQQPLDOMFU-OLZOCXBDSA-N -1 3 388.467 2.334 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000294178158 532936609 /nfs/dbraw/zinc/93/66/09/532936609.db2.gz SIXJPAYPIRBMAW-MRVPVSSYSA-N -1 3 378.332 2.387 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1ccc([N+](=O)[O-])cc1 ZINC000737523002 598826521 /nfs/dbraw/zinc/82/65/21/598826521.db2.gz FZWUFSMUKYEDEP-UHFFFAOYSA-N -1 3 392.379 2.421 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1ccc([N+](=O)[O-])cc1 ZINC000737523002 598826523 /nfs/dbraw/zinc/82/65/23/598826523.db2.gz FZWUFSMUKYEDEP-UHFFFAOYSA-N -1 3 392.379 2.421 20 5 GEBDHM COc1ccc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737100700 598828123 /nfs/dbraw/zinc/82/81/23/598828123.db2.gz ZYDDKEVRLCIQSM-UHFFFAOYSA-N -1 3 392.379 2.399 20 5 GEBDHM COc1ccc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737100700 598828125 /nfs/dbraw/zinc/82/81/25/598828125.db2.gz ZYDDKEVRLCIQSM-UHFFFAOYSA-N -1 3 392.379 2.399 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737115796 598883837 /nfs/dbraw/zinc/88/38/37/598883837.db2.gz OVKBZEMSWJKGSH-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737115796 598883839 /nfs/dbraw/zinc/88/38/39/598883839.db2.gz OVKBZEMSWJKGSH-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000736036671 598884250 /nfs/dbraw/zinc/88/42/50/598884250.db2.gz GBAPNDAMAKLMLV-LBPRGKRZSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000736036671 598884251 /nfs/dbraw/zinc/88/42/51/598884251.db2.gz GBAPNDAMAKLMLV-LBPRGKRZSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000736041504 598886298 /nfs/dbraw/zinc/88/62/98/598886298.db2.gz WXPHDPVVFUANOQ-GFCCVEGCSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000736041504 598886299 /nfs/dbraw/zinc/88/62/99/598886299.db2.gz WXPHDPVVFUANOQ-GFCCVEGCSA-N -1 3 383.364 2.328 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736897263 598894289 /nfs/dbraw/zinc/89/42/89/598894289.db2.gz DTSYWKJQTQOWDT-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736897263 598894291 /nfs/dbraw/zinc/89/42/91/598894291.db2.gz DTSYWKJQTQOWDT-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901516 598895281 /nfs/dbraw/zinc/89/52/81/598895281.db2.gz ZSCMFKJDHNYDES-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901516 598895284 /nfs/dbraw/zinc/89/52/84/598895284.db2.gz ZSCMFKJDHNYDES-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737224189 598999728 /nfs/dbraw/zinc/99/97/28/598999728.db2.gz ONOLXLLMQFXHBE-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737224189 598999729 /nfs/dbraw/zinc/99/97/29/598999729.db2.gz ONOLXLLMQFXHBE-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM CCc1ccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736691843 599014260 /nfs/dbraw/zinc/01/42/60/599014260.db2.gz RQQZOUVDEGNIRN-UHFFFAOYSA-N -1 3 382.380 2.033 20 5 GEBDHM CCc1ccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000736691843 599014262 /nfs/dbraw/zinc/01/42/62/599014262.db2.gz RQQZOUVDEGNIRN-UHFFFAOYSA-N -1 3 382.380 2.033 20 5 GEBDHM O=C1NCCCN1c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000823546139 599081749 /nfs/dbraw/zinc/08/17/49/599081749.db2.gz AENJTNDRSLGLQQ-UHFFFAOYSA-N -1 3 380.368 2.438 20 5 GEBDHM O=C1NCCCN1c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000823546139 599081753 /nfs/dbraw/zinc/08/17/53/599081753.db2.gz AENJTNDRSLGLQQ-UHFFFAOYSA-N -1 3 380.368 2.438 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823242453 599182827 /nfs/dbraw/zinc/18/28/27/599182827.db2.gz ZIGFYFQQZHYLON-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823242453 599182830 /nfs/dbraw/zinc/18/28/30/599182830.db2.gz ZIGFYFQQZHYLON-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ccc(-c2nnn[n-]2)cn1 ZINC000738382456 599221986 /nfs/dbraw/zinc/22/19/86/599221986.db2.gz RDRUNNFAJRLNBG-UHFFFAOYSA-N -1 3 399.392 2.260 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ccc(-c2nn[n-]n2)cn1 ZINC000738382456 599221989 /nfs/dbraw/zinc/22/19/89/599221989.db2.gz RDRUNNFAJRLNBG-UHFFFAOYSA-N -1 3 399.392 2.260 20 5 GEBDHM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000736778116 599269079 /nfs/dbraw/zinc/26/90/79/599269079.db2.gz ASJCYVOHJHEKJE-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000736778116 599269080 /nfs/dbraw/zinc/26/90/80/599269080.db2.gz ASJCYVOHJHEKJE-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1sccc1-c1nnn[n-]1 ZINC000738139083 598259635 /nfs/dbraw/zinc/25/96/35/598259635.db2.gz KMTSJQUQAKAJDM-UHFFFAOYSA-N -1 3 382.365 2.479 20 5 GEBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1sccc1-c1nn[n-]n1 ZINC000738139083 598259636 /nfs/dbraw/zinc/25/96/36/598259636.db2.gz KMTSJQUQAKAJDM-UHFFFAOYSA-N -1 3 382.365 2.479 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738100740 598308189 /nfs/dbraw/zinc/30/81/89/598308189.db2.gz RZWOTIQTXPZAIF-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738100740 598308191 /nfs/dbraw/zinc/30/81/91/598308191.db2.gz RZWOTIQTXPZAIF-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737948379 598310032 /nfs/dbraw/zinc/31/00/32/598310032.db2.gz USFAPKPQPTVAEO-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737948379 598310033 /nfs/dbraw/zinc/31/00/33/598310033.db2.gz USFAPKPQPTVAEO-UHFFFAOYSA-N -1 3 388.384 2.323 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738361167 598370359 /nfs/dbraw/zinc/37/03/59/598370359.db2.gz VSDBFXPWIDTLDA-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738361167 598370361 /nfs/dbraw/zinc/37/03/61/598370361.db2.gz VSDBFXPWIDTLDA-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000737062102 598498907 /nfs/dbraw/zinc/49/89/07/598498907.db2.gz GBCUXLUZTFPBKT-UHFFFAOYSA-N -1 3 376.279 2.314 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000737062102 598498909 /nfs/dbraw/zinc/49/89/09/598498909.db2.gz GBCUXLUZTFPBKT-UHFFFAOYSA-N -1 3 376.279 2.314 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736691656 598560123 /nfs/dbraw/zinc/56/01/23/598560123.db2.gz QAQAHYDALFUWGG-UHFFFAOYSA-N -1 3 393.356 2.244 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736691656 598560124 /nfs/dbraw/zinc/56/01/24/598560124.db2.gz QAQAHYDALFUWGG-UHFFFAOYSA-N -1 3 393.356 2.244 20 5 GEBDHM O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738123593 598579138 /nfs/dbraw/zinc/57/91/38/598579138.db2.gz HMGSGVBAYWYDDY-KRWDZBQOSA-N -1 3 393.407 2.060 20 5 GEBDHM Cc1csc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@@H]2C)n1 ZINC000737452854 598672451 /nfs/dbraw/zinc/67/24/51/598672451.db2.gz OLDGEYKQIXJVMC-NSHDSACASA-N -1 3 386.441 2.255 20 5 GEBDHM Cc1csc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@@H]2C)n1 ZINC000737452854 598672452 /nfs/dbraw/zinc/67/24/52/598672452.db2.gz OLDGEYKQIXJVMC-NSHDSACASA-N -1 3 386.441 2.255 20 5 GEBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1c1ccccc1F ZINC000738298794 598775659 /nfs/dbraw/zinc/77/56/59/598775659.db2.gz YCZRXYDURDFPIL-CYBMUJFWSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1c1ccccc1F ZINC000738298794 598775661 /nfs/dbraw/zinc/77/56/61/598775661.db2.gz YCZRXYDURDFPIL-CYBMUJFWSA-N -1 3 383.343 2.131 20 5 GEBDHM CCc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)ncn1 ZINC000736677345 598785607 /nfs/dbraw/zinc/78/56/07/598785607.db2.gz YCEWFRAQZPRTLV-CYBMUJFWSA-N -1 3 395.427 2.208 20 5 GEBDHM CCc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)ncn1 ZINC000736677345 598785609 /nfs/dbraw/zinc/78/56/09/598785609.db2.gz YCEWFRAQZPRTLV-CYBMUJFWSA-N -1 3 395.427 2.208 20 5 GEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737965573 598807823 /nfs/dbraw/zinc/80/78/23/598807823.db2.gz AGNAIXQXDYLUNA-UHFFFAOYSA-N -1 3 390.363 2.142 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825705017 607376417 /nfs/dbraw/zinc/37/64/17/607376417.db2.gz UEUCFNZSGRUOKA-UHFFFAOYSA-N -1 3 381.348 2.377 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825705017 607376419 /nfs/dbraw/zinc/37/64/19/607376419.db2.gz UEUCFNZSGRUOKA-UHFFFAOYSA-N -1 3 381.348 2.377 20 5 GEBDHM O=[N+]([O-])c1ccccc1CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823647984 599460888 /nfs/dbraw/zinc/46/08/88/599460888.db2.gz RIACORTUYXYPQO-UHFFFAOYSA-N -1 3 395.423 2.348 20 5 GEBDHM O=[N+]([O-])c1ccccc1CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823647984 599460890 /nfs/dbraw/zinc/46/08/90/599460890.db2.gz RIACORTUYXYPQO-UHFFFAOYSA-N -1 3 395.423 2.348 20 5 GEBDHM CC(=O)NC1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819804660 599515371 /nfs/dbraw/zinc/51/53/71/599515371.db2.gz YERAOTSVULSDEK-UHFFFAOYSA-N -1 3 396.411 2.182 20 5 GEBDHM CC(=O)NC1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819804660 599515372 /nfs/dbraw/zinc/51/53/72/599515372.db2.gz YERAOTSVULSDEK-UHFFFAOYSA-N -1 3 396.411 2.182 20 5 GEBDHM COC(=O)Nc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736941784 599526589 /nfs/dbraw/zinc/52/65/89/599526589.db2.gz XUEGVCOEANBMNI-UHFFFAOYSA-N -1 3 384.356 2.003 20 5 GEBDHM COC(=O)Nc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736941784 599526590 /nfs/dbraw/zinc/52/65/90/599526590.db2.gz XUEGVCOEANBMNI-UHFFFAOYSA-N -1 3 384.356 2.003 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000736168368 599545805 /nfs/dbraw/zinc/54/58/05/599545805.db2.gz HJRGEAQSBOWBIB-LLVKDONJSA-N -1 3 380.364 2.132 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1csc(N2CCCC2)n1 ZINC000823630533 599586588 /nfs/dbraw/zinc/58/65/88/599586588.db2.gz ZPMYDGODRDOBEK-UHFFFAOYSA-N -1 3 386.441 2.486 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1csc(N2CCCC2)n1 ZINC000823630533 599586591 /nfs/dbraw/zinc/58/65/91/599586591.db2.gz ZPMYDGODRDOBEK-UHFFFAOYSA-N -1 3 386.441 2.486 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823238421 599634974 /nfs/dbraw/zinc/63/49/74/599634974.db2.gz MZYJWNOJJBHFMX-UHFFFAOYSA-N -1 3 378.270 2.122 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823238421 599634975 /nfs/dbraw/zinc/63/49/75/599634975.db2.gz MZYJWNOJJBHFMX-UHFFFAOYSA-N -1 3 378.270 2.122 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000823445466 599651739 /nfs/dbraw/zinc/65/17/39/599651739.db2.gz WYPWIMRSMGINEO-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000823445466 599651740 /nfs/dbraw/zinc/65/17/40/599651740.db2.gz WYPWIMRSMGINEO-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737346845 599708683 /nfs/dbraw/zinc/70/86/83/599708683.db2.gz DHGYJBFCRUZGNF-MNDMWVCDSA-N -1 3 390.440 2.047 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000821745099 607410801 /nfs/dbraw/zinc/41/08/01/607410801.db2.gz DKOHNNRKCKKXNC-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000821745099 607410803 /nfs/dbraw/zinc/41/08/03/607410803.db2.gz DKOHNNRKCKKXNC-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000821745206 607412077 /nfs/dbraw/zinc/41/20/77/607412077.db2.gz JYTNCTYYTDZTCB-UHFFFAOYSA-N -1 3 398.379 2.207 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000821745206 607412079 /nfs/dbraw/zinc/41/20/79/607412079.db2.gz JYTNCTYYTDZTCB-UHFFFAOYSA-N -1 3 398.379 2.207 20 5 GEBDHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234424 607437403 /nfs/dbraw/zinc/43/74/03/607437403.db2.gz VUKGOEWOPRMNFI-UHFFFAOYSA-N -1 3 383.324 2.268 20 5 GEBDHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826234424 607437405 /nfs/dbraw/zinc/43/74/05/607437405.db2.gz VUKGOEWOPRMNFI-UHFFFAOYSA-N -1 3 383.324 2.268 20 5 GEBDHM CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834207 607439018 /nfs/dbraw/zinc/43/90/18/607439018.db2.gz RTAFADJNUOQEAC-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834207 607439020 /nfs/dbraw/zinc/43/90/20/607439020.db2.gz RTAFADJNUOQEAC-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM O=C([O-])CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000833231861 601050508 /nfs/dbraw/zinc/05/05/08/601050508.db2.gz CMGWWAMPVSNBMD-UHFFFAOYSA-N -1 3 385.804 2.142 20 5 GEBDHM COc1ccc(NC(=O)CCN2CCC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739922467 601971294 /nfs/dbraw/zinc/97/12/94/601971294.db2.gz YRMSZLSCSRZBSC-LBPRGKRZSA-N -1 3 380.401 2.006 20 5 GEBDHM COc1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1-c1nnn[n-]1 ZINC000826208260 607546278 /nfs/dbraw/zinc/54/62/78/607546278.db2.gz BOMKSKAGHXSTHJ-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM COc1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1-c1nn[n-]n1 ZINC000826208260 607546279 /nfs/dbraw/zinc/54/62/79/607546279.db2.gz BOMKSKAGHXSTHJ-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM CN(C)C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000830600126 602200143 /nfs/dbraw/zinc/20/01/43/602200143.db2.gz BIPFVNGGGDOMES-HNNXBMFYSA-N -1 3 385.376 2.262 20 5 GEBDHM O=[N+]([O-])c1cc(NCc2ccc(CN3CCOCC3)cc2)ccc1-c1nnn[n-]1 ZINC000826498376 607567853 /nfs/dbraw/zinc/56/78/53/607567853.db2.gz SBBKSYHDGOQLFN-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM O=[N+]([O-])c1cc(NCc2ccc(CN3CCOCC3)cc2)ccc1-c1nn[n-]n1 ZINC000826498376 607567856 /nfs/dbraw/zinc/56/78/56/607567856.db2.gz SBBKSYHDGOQLFN-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825718114 607616562 /nfs/dbraw/zinc/61/65/62/607616562.db2.gz WCEPKHCCKKIADG-UHFFFAOYSA-N -1 3 375.366 2.105 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000833907160 605547600 /nfs/dbraw/zinc/54/76/00/605547600.db2.gz CEHLPJGWOOJROQ-KBPBESRZSA-N -1 3 378.429 2.060 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823634524 606035895 /nfs/dbraw/zinc/03/58/95/606035895.db2.gz JLZGUZXSTQXZHY-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823634524 606035900 /nfs/dbraw/zinc/03/59/00/606035900.db2.gz JLZGUZXSTQXZHY-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000823346134 606265553 /nfs/dbraw/zinc/26/55/53/606265553.db2.gz JPZBCFGPRALZHA-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000823346134 606265555 /nfs/dbraw/zinc/26/55/55/606265555.db2.gz JPZBCFGPRALZHA-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM Cc1c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822020377 606266652 /nfs/dbraw/zinc/26/66/52/606266652.db2.gz BELWZYGLADZNDN-UHFFFAOYSA-N -1 3 387.287 2.383 20 5 GEBDHM Cc1c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822020377 606266654 /nfs/dbraw/zinc/26/66/54/606266654.db2.gz BELWZYGLADZNDN-UHFFFAOYSA-N -1 3 387.287 2.383 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822213146 606331742 /nfs/dbraw/zinc/33/17/42/606331742.db2.gz WNSVPQGSTCWCDA-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822213146 606331745 /nfs/dbraw/zinc/33/17/45/606331745.db2.gz WNSVPQGSTCWCDA-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1nn(CCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000822500989 606353657 /nfs/dbraw/zinc/35/36/57/606353657.db2.gz PZCROZIIPYQFSS-LBPRGKRZSA-N -1 3 385.384 2.283 20 5 GEBDHM Cc1nn(CCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000822500989 606353659 /nfs/dbraw/zinc/35/36/59/606353659.db2.gz PZCROZIIPYQFSS-LBPRGKRZSA-N -1 3 385.384 2.283 20 5 GEBDHM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822228796 606436134 /nfs/dbraw/zinc/43/61/34/606436134.db2.gz FTTYEYILTCUVBN-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228796 606436136 /nfs/dbraw/zinc/43/61/36/606436136.db2.gz FTTYEYILTCUVBN-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822270908 606638685 /nfs/dbraw/zinc/63/86/85/606638685.db2.gz CKXXYKOHLUUBSM-UHFFFAOYSA-N -1 3 381.396 2.120 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822270908 606638686 /nfs/dbraw/zinc/63/86/86/606638686.db2.gz CKXXYKOHLUUBSM-UHFFFAOYSA-N -1 3 381.396 2.120 20 5 GEBDHM Cc1ccc([C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000822230755 606644974 /nfs/dbraw/zinc/64/49/74/606644974.db2.gz PNIOMMCWPJOUOU-MRXNPFEDSA-N -1 3 399.411 2.162 20 5 GEBDHM Cc1ccc([C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000822230755 606644975 /nfs/dbraw/zinc/64/49/75/606644975.db2.gz PNIOMMCWPJOUOU-MRXNPFEDSA-N -1 3 399.411 2.162 20 5 GEBDHM CC1CCN(C(=O)C2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000820715707 606645536 /nfs/dbraw/zinc/64/55/36/606645536.db2.gz DGSAPPHACZLFOT-UHFFFAOYSA-N -1 3 399.455 2.250 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000819957779 606703950 /nfs/dbraw/zinc/70/39/50/606703950.db2.gz DMNJHECVWICUAE-JTQLQIEISA-N -1 3 383.416 2.091 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000819957779 606703951 /nfs/dbraw/zinc/70/39/51/606703951.db2.gz DMNJHECVWICUAE-JTQLQIEISA-N -1 3 383.416 2.091 20 5 GEBDHM C[C@H](c1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1)N1CCOCC1 ZINC000820561888 606708197 /nfs/dbraw/zinc/70/81/97/606708197.db2.gz BIWDGGAEDMPXQS-GFCCVEGCSA-N -1 3 396.411 2.307 20 5 GEBDHM C[C@H](c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1)N1CCOCC1 ZINC000820561888 606708199 /nfs/dbraw/zinc/70/81/99/606708199.db2.gz BIWDGGAEDMPXQS-GFCCVEGCSA-N -1 3 396.411 2.307 20 5 GEBDHM COc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Cl)c1 ZINC000821791007 606721582 /nfs/dbraw/zinc/72/15/82/606721582.db2.gz ZADPUBWRUUTXEQ-UHFFFAOYSA-N -1 3 375.776 2.487 20 5 GEBDHM COc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(Cl)c1 ZINC000821791007 606721585 /nfs/dbraw/zinc/72/15/85/606721585.db2.gz ZADPUBWRUUTXEQ-UHFFFAOYSA-N -1 3 375.776 2.487 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822982737 606750346 /nfs/dbraw/zinc/75/03/46/606750346.db2.gz HMIBFTYKEFZAAR-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000823645921 606794014 /nfs/dbraw/zinc/79/40/14/606794014.db2.gz WGDIXFHTGCQZFX-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c(F)c1 ZINC000823645921 606794016 /nfs/dbraw/zinc/79/40/16/606794016.db2.gz WGDIXFHTGCQZFX-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM COc1cc(OC)cc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821727906 606880693 /nfs/dbraw/zinc/88/06/93/606880693.db2.gz PNSFWXJINPPLOJ-UHFFFAOYSA-N -1 3 386.368 2.283 20 5 GEBDHM COc1cc(OC)cc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821727906 606880694 /nfs/dbraw/zinc/88/06/94/606880694.db2.gz PNSFWXJINPPLOJ-UHFFFAOYSA-N -1 3 386.368 2.283 20 5 GEBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000823404650 606942924 /nfs/dbraw/zinc/94/29/24/606942924.db2.gz DKGVUQSFRXNNCV-UHFFFAOYSA-N -1 3 375.366 2.462 20 5 GEBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])s1 ZINC000823404650 606942927 /nfs/dbraw/zinc/94/29/27/606942927.db2.gz DKGVUQSFRXNNCV-UHFFFAOYSA-N -1 3 375.366 2.462 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000823639906 606960570 /nfs/dbraw/zinc/96/05/70/606960570.db2.gz LLDHFTVDUXXQGI-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823639906 606960571 /nfs/dbraw/zinc/96/05/71/606960571.db2.gz LLDHFTVDUXXQGI-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000819996889 607000441 /nfs/dbraw/zinc/00/04/41/607000441.db2.gz MRONGVFJJPLDOR-UHFFFAOYSA-N -1 3 396.407 2.291 20 5 GEBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000819996889 607000443 /nfs/dbraw/zinc/00/04/43/607000443.db2.gz MRONGVFJJPLDOR-UHFFFAOYSA-N -1 3 396.407 2.291 20 5 GEBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000822912271 607102610 /nfs/dbraw/zinc/10/26/10/607102610.db2.gz ULUHSTMDYPDVOZ-UHFFFAOYSA-N -1 3 386.397 2.009 20 5 GEBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000822912271 607102612 /nfs/dbraw/zinc/10/26/12/607102612.db2.gz ULUHSTMDYPDVOZ-UHFFFAOYSA-N -1 3 386.397 2.009 20 5 GEBDHM CCOC(=O)CCN(Cc1cccnc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821330386 607225820 /nfs/dbraw/zinc/22/58/20/607225820.db2.gz KAWOGXVEWSXDSW-UHFFFAOYSA-N -1 3 397.395 2.130 20 5 GEBDHM CCOC(=O)CCN(Cc1cccnc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821330386 607225821 /nfs/dbraw/zinc/22/58/21/607225821.db2.gz KAWOGXVEWSXDSW-UHFFFAOYSA-N -1 3 397.395 2.130 20 5 GEBDHM CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825998783 607847487 /nfs/dbraw/zinc/84/74/87/607847487.db2.gz CQMCKBBISLVSQB-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825998783 607847488 /nfs/dbraw/zinc/84/74/88/607847488.db2.gz CQMCKBBISLVSQB-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM Cc1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2F)c2ncc([N+](=O)[O-])cc12 ZINC000826334850 607848419 /nfs/dbraw/zinc/84/84/19/607848419.db2.gz MDVDCRJCOJUNDQ-UHFFFAOYSA-N -1 3 383.347 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ncccc12 ZINC000826498695 607869654 /nfs/dbraw/zinc/86/96/54/607869654.db2.gz FQXRJSYEXBOUFX-OAHLLOKOSA-N -1 3 378.348 2.436 20 5 GEBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000826498695 607869655 /nfs/dbraw/zinc/86/96/55/607869655.db2.gz FQXRJSYEXBOUFX-OAHLLOKOSA-N -1 3 378.348 2.436 20 5 GEBDHM Cc1cccc(C)c1OC[C@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826296884 607876549 /nfs/dbraw/zinc/87/65/49/607876549.db2.gz NIZMHINYBBUMQQ-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cccc(C)c1OC[C@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826296884 607876550 /nfs/dbraw/zinc/87/65/50/607876550.db2.gz NIZMHINYBBUMQQ-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826440794 607940388 /nfs/dbraw/zinc/94/03/88/607940388.db2.gz AUBWQDJLEHYYFA-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826440794 607940389 /nfs/dbraw/zinc/94/03/89/607940389.db2.gz AUBWQDJLEHYYFA-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826497350 607970108 /nfs/dbraw/zinc/97/01/08/607970108.db2.gz DOECFKLWDQKVCZ-ABAIWWIYSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826497350 607970109 /nfs/dbraw/zinc/97/01/09/607970109.db2.gz DOECFKLWDQKVCZ-ABAIWWIYSA-N -1 3 388.334 2.365 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000826176317 607973645 /nfs/dbraw/zinc/97/36/45/607973645.db2.gz KGSVNWDUQGAHNY-UHFFFAOYSA-N -1 3 399.363 2.444 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000826176317 607973646 /nfs/dbraw/zinc/97/36/46/607973646.db2.gz KGSVNWDUQGAHNY-UHFFFAOYSA-N -1 3 399.363 2.444 20 5 GEBDHM O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826501019 608070694 /nfs/dbraw/zinc/07/06/94/608070694.db2.gz WBPWPJTZJFVPSG-GOSISDBHSA-N -1 3 396.407 2.227 20 5 GEBDHM O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826501019 608070695 /nfs/dbraw/zinc/07/06/95/608070695.db2.gz WBPWPJTZJFVPSG-GOSISDBHSA-N -1 3 396.407 2.227 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc([N+](=O)[O-])c1 ZINC000826258636 608080214 /nfs/dbraw/zinc/08/02/14/608080214.db2.gz QNXTYOHGPCUJDZ-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1cc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc([N+](=O)[O-])c1 ZINC000826258636 608080215 /nfs/dbraw/zinc/08/02/15/608080215.db2.gz QNXTYOHGPCUJDZ-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826272457 608084762 /nfs/dbraw/zinc/08/47/62/608084762.db2.gz KQQBFQROUGXKPR-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826272457 608084763 /nfs/dbraw/zinc/08/47/63/608084763.db2.gz KQQBFQROUGXKPR-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM O=C(CCCn1cccn1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826406742 608165210 /nfs/dbraw/zinc/16/52/10/608165210.db2.gz KOIOCRVZVIOOOQ-UHFFFAOYSA-N -1 3 376.764 2.044 20 5 GEBDHM O=C(CCCn1cccn1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826406742 608165212 /nfs/dbraw/zinc/16/52/12/608165212.db2.gz KOIOCRVZVIOOOQ-UHFFFAOYSA-N -1 3 376.764 2.044 20 5 GEBDHM C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824513905 608213244 /nfs/dbraw/zinc/21/32/44/608213244.db2.gz JPFXNXINKFUIOA-QMMMGPOBSA-N -1 3 396.392 2.271 20 5 GEBDHM C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824513905 608213247 /nfs/dbraw/zinc/21/32/47/608213247.db2.gz JPFXNXINKFUIOA-QMMMGPOBSA-N -1 3 396.392 2.271 20 5 GEBDHM COc1ccc([C@H](OC)[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189691 608239049 /nfs/dbraw/zinc/23/90/49/608239049.db2.gz BMUPLTSJLOYADZ-ZUZCIYMTSA-N -1 3 385.384 2.367 20 5 GEBDHM COc1ccc([C@H](OC)[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189691 608239050 /nfs/dbraw/zinc/23/90/50/608239050.db2.gz BMUPLTSJLOYADZ-ZUZCIYMTSA-N -1 3 385.384 2.367 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826441495 608241862 /nfs/dbraw/zinc/24/18/62/608241862.db2.gz HIWRMRBUESGMQE-UHFFFAOYSA-N -1 3 393.338 2.392 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826441495 608241864 /nfs/dbraw/zinc/24/18/64/608241864.db2.gz HIWRMRBUESGMQE-UHFFFAOYSA-N -1 3 393.338 2.392 20 5 GEBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Cn1cccn1 ZINC000824429417 608367782 /nfs/dbraw/zinc/36/77/82/608367782.db2.gz WITWAWKRBTWTPG-LLVKDONJSA-N -1 3 379.384 2.268 20 5 GEBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)Cn1cccn1 ZINC000824429417 608367783 /nfs/dbraw/zinc/36/77/83/608367783.db2.gz WITWAWKRBTWTPG-LLVKDONJSA-N -1 3 379.384 2.268 20 5 GEBDHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824744842 608433555 /nfs/dbraw/zinc/43/35/55/608433555.db2.gz HEPLNWCAOJNJGH-NEPJUHHUSA-N -1 3 382.380 2.420 20 5 GEBDHM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824744842 608433556 /nfs/dbraw/zinc/43/35/56/608433556.db2.gz HEPLNWCAOJNJGH-NEPJUHHUSA-N -1 3 382.380 2.420 20 5 GEBDHM COc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826190974 608446456 /nfs/dbraw/zinc/44/64/56/608446456.db2.gz SKECMEOZVQKGSE-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM COc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000826190974 608446457 /nfs/dbraw/zinc/44/64/57/608446457.db2.gz SKECMEOZVQKGSE-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826268113 609325899 /nfs/dbraw/zinc/32/58/99/609325899.db2.gz KHSAPFYVYRYDKO-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826268113 609325901 /nfs/dbraw/zinc/32/59/01/609325901.db2.gz KHSAPFYVYRYDKO-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826423565 609328443 /nfs/dbraw/zinc/32/84/43/609328443.db2.gz VLQCJPBVVUXKRD-UHFFFAOYSA-N -1 3 386.799 2.330 20 5 GEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826423565 609328445 /nfs/dbraw/zinc/32/84/45/609328445.db2.gz VLQCJPBVVUXKRD-UHFFFAOYSA-N -1 3 386.799 2.330 20 5 GEBDHM COc1cc(COC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179984 609462788 /nfs/dbraw/zinc/46/27/88/609462788.db2.gz NTEUEVLLLPOGCK-NSHDSACASA-N -1 3 399.363 2.294 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826500543 609493723 /nfs/dbraw/zinc/49/37/23/609493723.db2.gz BPSDYTOPHBYNJM-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826500543 609493724 /nfs/dbraw/zinc/49/37/24/609493724.db2.gz BPSDYTOPHBYNJM-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=C1[C@H](NCc2csc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477054 609600829 /nfs/dbraw/zinc/60/08/29/609600829.db2.gz UVQRYFKAIFDTOM-CQSZACIVSA-N -1 3 399.436 2.122 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCOCC2)c(Br)c1 ZINC000447018945 649994209 /nfs/dbraw/zinc/99/42/09/649994209.db2.gz VLPFYQQUYRWFPF-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451984040 650161152 /nfs/dbraw/zinc/16/11/52/650161152.db2.gz VJZMONYKMVSGKQ-LLVKDONJSA-N -1 3 379.232 2.061 20 5 GEBDHM O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000509691173 650499163 /nfs/dbraw/zinc/49/91/63/650499163.db2.gz BFDNDUJLAZAELP-UHFFFAOYSA-N -1 3 389.861 2.223 20 5 GEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000534512063 650776329 /nfs/dbraw/zinc/77/63/29/650776329.db2.gz PPWIQNRHKCWQNJ-ZETCQYMHSA-N -1 3 376.740 2.148 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C2CC2)c(Br)c1 ZINC000536330250 650800328 /nfs/dbraw/zinc/80/03/28/650800328.db2.gz RNCUPTIZBOGWRO-DGCLKSJQSA-N -1 3 391.243 2.203 20 5 GEBDHM CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000494423202 650807766 /nfs/dbraw/zinc/80/77/66/650807766.db2.gz FGHFQXXFNPLSFC-UHFFFAOYSA-N -1 3 387.355 2.287 20 5 GEBDHM Cc1cccc(N2CCC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000116904787 643477386 /nfs/dbraw/zinc/47/73/86/643477386.db2.gz YIJBRVAWUSEMNL-UHFFFAOYSA-N -1 3 382.467 2.307 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000121768656 643639361 /nfs/dbraw/zinc/63/93/61/643639361.db2.gz HCBJOPFTJKZLRS-MWLCHTKSSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000543169681 650902427 /nfs/dbraw/zinc/90/24/27/650902427.db2.gz MIVNYETVLYLMQI-PELKAZGASA-N -1 3 379.232 2.203 20 5 GEBDHM CCCCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173071227 644349764 /nfs/dbraw/zinc/34/97/64/644349764.db2.gz HWTOXDFZEWQZSV-UHFFFAOYSA-N -1 3 381.248 2.452 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2cscn2)c1 ZINC000173081784 644349829 /nfs/dbraw/zinc/34/98/29/644349829.db2.gz PSJGMCWMCOIHBG-UHFFFAOYSA-N -1 3 378.229 2.292 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1NCCc2ccccc21 ZINC000262309038 645626224 /nfs/dbraw/zinc/62/62/24/645626224.db2.gz OUSZNDBOLLNWQE-CQSZACIVSA-N -1 3 381.841 2.414 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c(Br)c1 ZINC000270216096 646092412 /nfs/dbraw/zinc/09/24/12/646092412.db2.gz FZZSMOVDKWXGOT-MGCOHNPYSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)c(F)c1 ZINC000281513800 646777137 /nfs/dbraw/zinc/77/71/37/646777137.db2.gz LQPRYFJKSBJUNE-UHFFFAOYSA-N -1 3 386.430 2.138 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H]2CCN(c3ccccc3)C2=O)s1 ZINC000301930408 647277633 /nfs/dbraw/zinc/27/76/33/647277633.db2.gz KJSFQVWJXABNBT-NSHDSACASA-N -1 3 381.435 2.277 20 5 GEBDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000330979311 647362013 /nfs/dbraw/zinc/36/20/13/647362013.db2.gz GKIRNPAAYYVHJT-PSASIEDQSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC000331370957 647382794 /nfs/dbraw/zinc/38/27/94/647382794.db2.gz BSPCYFHUKDIEGC-NSHDSACASA-N -1 3 390.845 2.255 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCOCC(F)F ZINC000416468293 648135594 /nfs/dbraw/zinc/13/55/94/648135594.db2.gz FKCDUJHLHBWPOC-UHFFFAOYSA-N -1 3 378.275 2.174 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCCO)cc2)c(Cl)c1 ZINC000443193858 648866847 /nfs/dbraw/zinc/86/68/47/648866847.db2.gz WNISVUYOECCRCJ-UHFFFAOYSA-N -1 3 386.813 2.098 20 5 GEBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000611019014 651700639 /nfs/dbraw/zinc/70/06/39/651700639.db2.gz MSYDGBJPJICCAM-UHFFFAOYSA-N -1 3 386.813 2.483 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c(Br)c1 ZINC000611242856 651716029 /nfs/dbraw/zinc/71/60/29/651716029.db2.gz FZZSMOVDKWXGOT-AOOOYVTPSA-N -1 3 393.259 2.187 20 5 GEBDHM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000751221852 652332052 /nfs/dbraw/zinc/33/20/52/652332052.db2.gz JKHWFKHHULSYEE-AWEZNQCLSA-N -1 3 386.813 2.269 20 5 GEBDHM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000751223816 652332787 /nfs/dbraw/zinc/33/27/87/652332787.db2.gz NVBQWGYEHHFTGV-CYBMUJFWSA-N -1 3 386.813 2.269 20 5 GEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000751743467 652365799 /nfs/dbraw/zinc/36/57/99/652365799.db2.gz UWTKCCSLFWKAKW-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000753381706 652406230 /nfs/dbraw/zinc/40/62/30/652406230.db2.gz NLGIOQYOXYIRJY-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM CC(C)[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000585708090 652534374 /nfs/dbraw/zinc/53/43/74/652534374.db2.gz SHSFKXUDOJYBEW-STQMWFEESA-N -1 3 384.376 2.005 20 5 GEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000759168624 652565502 /nfs/dbraw/zinc/56/55/02/652565502.db2.gz QBTONTSWJPWEQW-UHFFFAOYSA-N -1 3 378.288 2.194 20 5 GEBDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595392483 652719552 /nfs/dbraw/zinc/71/95/52/652719552.db2.gz NLGAHPSHLHOIHL-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)cn2)c1 ZINC000763377096 652753872 /nfs/dbraw/zinc/75/38/72/652753872.db2.gz DCTVKFRWLONHNE-UHFFFAOYSA-N -1 3 390.190 2.370 20 5 GEBDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599410214 652868895 /nfs/dbraw/zinc/86/88/95/652868895.db2.gz FSNVNVLOULOJKC-JTQLQIEISA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000599481410 652875328 /nfs/dbraw/zinc/87/53/28/652875328.db2.gz CTEGNUOEGFROLT-JQWIXIFHSA-N -1 3 380.344 2.459 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCCC23OCCO3)c(Cl)c1 ZINC000766841579 652899896 /nfs/dbraw/zinc/89/98/96/652899896.db2.gz UYZREYAJBXKWNQ-ZDUSSCGKSA-N -1 3 376.818 2.212 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000767728858 652946413 /nfs/dbraw/zinc/94/64/13/652946413.db2.gz YXINFGFCRMYFMH-UHFFFAOYSA-N -1 3 387.395 2.360 20 5 GEBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770098632 653197846 /nfs/dbraw/zinc/19/78/46/653197846.db2.gz KTPZBVVFVCITFK-GFCCVEGCSA-N -1 3 378.834 2.255 20 5 GEBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000774799149 653258617 /nfs/dbraw/zinc/25/86/17/653258617.db2.gz RMLHFHSNHHUZHB-CABZTGNLSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(CC3CC3)C2)cc1Cl ZINC000809815579 653298399 /nfs/dbraw/zinc/29/83/99/653298399.db2.gz JRNCMWYETZPSGP-JTQLQIEISA-N -1 3 377.825 2.150 20 5 GEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000775475531 653314236 /nfs/dbraw/zinc/31/42/36/653314236.db2.gz RWAXIJRRYWJCAV-UHFFFAOYSA-N -1 3 376.188 2.465 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859341949 653444102 /nfs/dbraw/zinc/44/41/02/653444102.db2.gz UUFGBLZSOZEZAR-VXFNFUGZSA-N -1 3 393.259 2.448 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000859367884 653451364 /nfs/dbraw/zinc/45/13/64/653451364.db2.gz OELVXXBNJZNWAJ-CABZTGNLSA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000780394792 653625230 /nfs/dbraw/zinc/62/52/30/653625230.db2.gz CTSMGMHXEQPXRD-UHFFFAOYSA-N -1 3 380.279 2.453 20 5 GEBDHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815009087 653642982 /nfs/dbraw/zinc/64/29/82/653642982.db2.gz ZHEQRHDACCJWMI-SNVBAGLBSA-N -1 3 379.841 2.398 20 5 GEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025774 653645380 /nfs/dbraw/zinc/64/53/80/653645380.db2.gz KJNCVUCDPPVVOI-PELKAZGASA-N -1 3 377.825 2.148 20 5 GEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000786903750 653730708 /nfs/dbraw/zinc/73/07/08/653730708.db2.gz YAJLEKCGMDPEQL-UHFFFAOYSA-N -1 3 376.188 2.465 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H](O)C(C)C ZINC000841561459 653734130 /nfs/dbraw/zinc/73/41/30/653734130.db2.gz PLDIAIMJKAFLKZ-YPMHNXCESA-N -1 3 395.275 2.431 20 5 GEBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000845966639 653873471 /nfs/dbraw/zinc/87/34/71/653873471.db2.gz AROREBPQCJOLFU-BXKDBHETSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)cc1Br ZINC000831992194 654222989 /nfs/dbraw/zinc/22/29/89/654222989.db2.gz DWBWUIGIIBFEKF-UHFFFAOYSA-N -1 3 397.222 2.154 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COC[C@H]2C2CC2)c1 ZINC000908406711 654626740 /nfs/dbraw/zinc/62/67/40/654626740.db2.gz CLXVVFMGRCHHNN-CMPLNLGQSA-N -1 3 391.243 2.061 20 5 GEBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151644364 531513172 /nfs/dbraw/zinc/51/31/72/531513172.db2.gz SXIQYKFGWXFUKC-UHFFFAOYSA-N -1 3 383.202 2.274 20 5 GEBDHM COC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000152340375 531545791 /nfs/dbraw/zinc/54/57/91/531545791.db2.gz IDDQORADJDCHDS-LBPRGKRZSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000026840267 531618593 /nfs/dbraw/zinc/61/85/93/531618593.db2.gz IAPBVRYTRCZCOG-UTUOFQBUSA-N -1 3 391.877 2.024 20 5 GEBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1[N+](=O)[O-] ZINC000044895025 531687257 /nfs/dbraw/zinc/68/72/57/531687257.db2.gz ZTCIDCPGPFVNMJ-UHFFFAOYSA-N -1 3 388.398 2.247 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c(Cl)c1 ZINC000055974745 531800122 /nfs/dbraw/zinc/80/01/22/531800122.db2.gz ISKHEMLWHROEBM-UHFFFAOYSA-N -1 3 385.833 2.045 20 5 GEBDHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000056108724 531805173 /nfs/dbraw/zinc/80/51/73/531805173.db2.gz KXSDHWVSNSJISD-SNVBAGLBSA-N -1 3 383.451 2.332 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2)cc1C ZINC000057929051 531824240 /nfs/dbraw/zinc/82/42/40/531824240.db2.gz LGBZLPFGWTULDD-NSHDSACASA-N -1 3 381.376 2.127 20 5 GEBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[S@@](C)=O ZINC000163488935 531858229 /nfs/dbraw/zinc/85/82/29/531858229.db2.gz SKDKNCFONZSSKK-FHOATMSYSA-N -1 3 388.389 2.049 20 5 GEBDHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171421892 531905553 /nfs/dbraw/zinc/90/55/53/531905553.db2.gz HZZZSEYRKJTCGZ-LLVKDONJSA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120770420 531994379 /nfs/dbraw/zinc/99/43/79/531994379.db2.gz CUQLURRDWOTCHV-IUCAKERBSA-N -1 3 381.248 2.043 20 5 GEBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121462041 532030535 /nfs/dbraw/zinc/03/05/35/532030535.db2.gz ZFIBUZCZGJZPGI-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000121863020 532050540 /nfs/dbraw/zinc/05/05/40/532050540.db2.gz YJLHUXKOZOGODL-BXKDBHETSA-N -1 3 393.259 2.187 20 5 GEBDHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122589525 532075226 /nfs/dbraw/zinc/07/52/26/532075226.db2.gz RRAKAXALECOCEN-LBPRGKRZSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000123283472 532098247 /nfs/dbraw/zinc/09/82/47/532098247.db2.gz QBNMLUBRCVZCSC-UHFFFAOYSA-N -1 3 387.508 2.363 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCCNC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000123489097 532100366 /nfs/dbraw/zinc/10/03/66/532100366.db2.gz JWCKNOFZVUIAPK-UHFFFAOYSA-N -1 3 389.480 2.125 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000187264978 532343828 /nfs/dbraw/zinc/34/38/28/532343828.db2.gz RCMABLIZTWJVAR-UHFFFAOYSA-N -1 3 375.403 2.294 20 5 GEBDHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000188389778 532347880 /nfs/dbraw/zinc/34/78/80/532347880.db2.gz JUAQKMICDMKVKS-AWEZNQCLSA-N -1 3 384.841 2.439 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)ccc1Br ZINC000190646727 532357264 /nfs/dbraw/zinc/35/72/64/532357264.db2.gz HHALCPHEFULPSR-IRUJWGPZSA-N -1 3 391.243 2.203 20 5 GEBDHM O=C(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000425194226 532370664 /nfs/dbraw/zinc/37/06/64/532370664.db2.gz NFRBNFILKNJPTH-UHFFFAOYSA-N -1 3 376.381 2.409 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192984912 532415149 /nfs/dbraw/zinc/41/51/49/532415149.db2.gz BIQDTJMKSYYPIC-CQSZACIVSA-N -1 3 381.479 2.457 20 5 GEBDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1 ZINC000427804274 532431563 /nfs/dbraw/zinc/43/15/63/532431563.db2.gz CODHSVLQNGSUCW-UHFFFAOYSA-N -1 3 384.801 2.478 20 5 GEBDHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295359489 532438324 /nfs/dbraw/zinc/43/83/24/532438324.db2.gz RWNRUQKVUOUTRG-UHFFFAOYSA-N -1 3 381.248 2.044 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000594474443 532510116 /nfs/dbraw/zinc/51/01/16/532510116.db2.gz JHBZSLCZXDQSNM-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000296291969 532511807 /nfs/dbraw/zinc/51/18/07/532511807.db2.gz RRZIGLAWVHZHNR-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CNC(=O)CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000595367144 532560788 /nfs/dbraw/zinc/56/07/88/532560788.db2.gz OHAIUOHWHNPXPY-UHFFFAOYSA-N -1 3 389.499 2.330 20 5 GEBDHM Cc1nc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc1SCC(N)=O ZINC000433674419 532577227 /nfs/dbraw/zinc/57/72/27/532577227.db2.gz KPLRFJOWELQXMC-UHFFFAOYSA-N -1 3 384.443 2.036 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c1[N+](=O)[O-] ZINC000434788984 532603162 /nfs/dbraw/zinc/60/31/62/532603162.db2.gz ZUGKNXZUMKBEGI-UHFFFAOYSA-N -1 3 388.339 2.407 20 5 GEBDHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000532774594 532656017 /nfs/dbraw/zinc/65/60/17/532656017.db2.gz RQXCCZNRUWKCNR-ZDUSSCGKSA-N -1 3 386.813 2.269 20 5 GEBDHM CCN1CCC([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000298791649 532673616 /nfs/dbraw/zinc/67/36/16/532673616.db2.gz CNJDHWXFVLZDGU-UHFFFAOYSA-N -1 3 392.275 2.120 20 5 GEBDHM COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490459279 532710522 /nfs/dbraw/zinc/71/05/22/532710522.db2.gz RAOBIPOCRRFPPT-UHFFFAOYSA-N -1 3 385.423 2.052 20 5 GEBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1(C)C ZINC000440392670 532712422 /nfs/dbraw/zinc/71/24/22/532712422.db2.gz RZPYHUZOEWWORL-NEPJUHHUSA-N -1 3 393.259 2.449 20 5 GEBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000510485977 532774161 /nfs/dbraw/zinc/77/41/61/532774161.db2.gz SUOSINFLAYZWCP-UWVGGRQHSA-N -1 3 393.259 2.308 20 5 GEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271288251 532806985 /nfs/dbraw/zinc/80/69/85/532806985.db2.gz SGWXFZRPMSRDCD-ZJUUUORDSA-N -1 3 393.259 2.451 20 5 GEBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273466928 532824699 /nfs/dbraw/zinc/82/46/99/532824699.db2.gz DXYVPQHWOBVISJ-SNVBAGLBSA-N -1 3 376.456 2.191 20 5 GEBDHM CN(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000414464314 532829685 /nfs/dbraw/zinc/82/96/85/532829685.db2.gz MGHHHXVRIXOVCI-RYUDHWBXSA-N -1 3 381.376 2.375 20 5 GEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000274798976 532856607 /nfs/dbraw/zinc/85/66/07/532856607.db2.gz PYJXCPMVGVPJQE-NHYWBVRUSA-N -1 3 390.458 2.375 20 5 GEBDHM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416372022 532872576 /nfs/dbraw/zinc/87/25/76/532872576.db2.gz NKESVHUKDLRSGX-VIFPVBQESA-N -1 3 378.332 2.177 20 5 GEBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000416382572 532874065 /nfs/dbraw/zinc/87/40/65/532874065.db2.gz JTDMQVFEQRJRLC-LBPRGKRZSA-N -1 3 384.332 2.234 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCN(C2CC2)C1 ZINC000416396035 532875500 /nfs/dbraw/zinc/87/55/00/532875500.db2.gz ZCEHCXHGDONATQ-JTQLQIEISA-N -1 3 379.360 2.129 20 5 GEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000416437752 532877274 /nfs/dbraw/zinc/87/72/74/532877274.db2.gz IFSFXKFSSLWOPH-UHFFFAOYSA-N -1 3 378.353 2.238 20 5 GEBDHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000276783780 532900884 /nfs/dbraw/zinc/90/08/84/532900884.db2.gz XFCIKNMVVCCCAZ-UHFFFAOYSA-N -1 3 376.406 2.226 20 5 GEBDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1C ZINC000737503785 598840311 /nfs/dbraw/zinc/84/03/11/598840311.db2.gz LEIDMRZBEGKCSK-UHFFFAOYSA-N -1 3 394.351 2.423 20 5 GEBDHM Cn1c(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000737594019 598933376 /nfs/dbraw/zinc/93/33/76/598933376.db2.gz VLSNYPWNARUWPU-UHFFFAOYSA-N -1 3 382.359 2.455 20 5 GEBDHM Cn1c(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000737594019 598933378 /nfs/dbraw/zinc/93/33/78/598933378.db2.gz VLSNYPWNARUWPU-UHFFFAOYSA-N -1 3 382.359 2.455 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cc(F)ccc1N1CCOCC1 ZINC000738357669 598975592 /nfs/dbraw/zinc/97/55/92/598975592.db2.gz IIRLKVPBLLQQKV-UHFFFAOYSA-N -1 3 399.386 2.363 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cc(F)ccc1N1CCOCC1 ZINC000738357669 598975594 /nfs/dbraw/zinc/97/55/94/598975594.db2.gz IIRLKVPBLLQQKV-UHFFFAOYSA-N -1 3 399.386 2.363 20 5 GEBDHM COc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821717466 599062100 /nfs/dbraw/zinc/06/21/00/599062100.db2.gz OBCZUALMZZDVHQ-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM COc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821717466 599062101 /nfs/dbraw/zinc/06/21/01/599062101.db2.gz OBCZUALMZZDVHQ-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2c[nH]c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000738370021 599119191 /nfs/dbraw/zinc/11/91/91/599119191.db2.gz MOUGCPKCLUTWKG-GFCCVEGCSA-N -1 3 379.380 2.272 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2c[nH]c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000738370021 599119194 /nfs/dbraw/zinc/11/91/94/599119194.db2.gz MOUGCPKCLUTWKG-GFCCVEGCSA-N -1 3 379.380 2.272 20 5 GEBDHM CN(CCOc1ccc(Cl)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821603642 599202094 /nfs/dbraw/zinc/20/20/94/599202094.db2.gz ICKMQGKOGCFVHS-UHFFFAOYSA-N -1 3 375.776 2.339 20 5 GEBDHM CN(CCOc1ccc(Cl)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821603642 599202095 /nfs/dbraw/zinc/20/20/95/599202095.db2.gz ICKMQGKOGCFVHS-UHFFFAOYSA-N -1 3 375.776 2.339 20 5 GEBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000737931471 599231700 /nfs/dbraw/zinc/23/17/00/599231700.db2.gz HEXVGYFRRSHNJI-UHFFFAOYSA-N -1 3 398.448 2.367 20 5 GEBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000737931471 599231701 /nfs/dbraw/zinc/23/17/01/599231701.db2.gz HEXVGYFRRSHNJI-UHFFFAOYSA-N -1 3 398.448 2.367 20 5 GEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738232064 599242418 /nfs/dbraw/zinc/24/24/18/599242418.db2.gz OMVMOWHIAGHBHA-UHFFFAOYSA-N -1 3 392.331 2.386 20 5 GEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738232064 599242421 /nfs/dbraw/zinc/24/24/21/599242421.db2.gz OMVMOWHIAGHBHA-UHFFFAOYSA-N -1 3 392.331 2.386 20 5 GEBDHM COc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000821799037 607281393 /nfs/dbraw/zinc/28/13/93/607281393.db2.gz YIVFYSCDFNSZFN-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM COc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000821799037 607281394 /nfs/dbraw/zinc/28/13/94/607281394.db2.gz YIVFYSCDFNSZFN-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000738370368 599260604 /nfs/dbraw/zinc/26/06/04/599260604.db2.gz PATYSSAWNFZJKL-UHFFFAOYSA-N -1 3 376.380 2.269 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000738370368 599260606 /nfs/dbraw/zinc/26/06/06/599260606.db2.gz PATYSSAWNFZJKL-UHFFFAOYSA-N -1 3 376.380 2.269 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000821702568 607328065 /nfs/dbraw/zinc/32/80/65/607328065.db2.gz YLZRSUCWZVAZFS-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000821702568 607328066 /nfs/dbraw/zinc/32/80/66/607328066.db2.gz YLZRSUCWZVAZFS-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738173758 598281510 /nfs/dbraw/zinc/28/15/10/598281510.db2.gz FAOMRROEZNBODL-UHFFFAOYSA-N -1 3 394.395 2.129 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738173758 598281512 /nfs/dbraw/zinc/28/15/12/598281512.db2.gz FAOMRROEZNBODL-UHFFFAOYSA-N -1 3 394.395 2.129 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738101577 598308024 /nfs/dbraw/zinc/30/80/24/598308024.db2.gz IWFUKBRMHCRRHK-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738101577 598308025 /nfs/dbraw/zinc/30/80/25/598308025.db2.gz IWFUKBRMHCRRHK-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737484489 598316063 /nfs/dbraw/zinc/31/60/63/598316063.db2.gz UPTUVUFJNUNLHS-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000737484489 598316064 /nfs/dbraw/zinc/31/60/64/598316064.db2.gz UPTUVUFJNUNLHS-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2ncn(CCOc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000738361699 598379378 /nfs/dbraw/zinc/37/93/78/598379378.db2.gz YVTFATYPJSWCHO-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2ncn(CCOc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738361699 598379380 /nfs/dbraw/zinc/37/93/80/598379380.db2.gz YVTFATYPJSWCHO-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM C[C@@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736199010 598501788 /nfs/dbraw/zinc/50/17/88/598501788.db2.gz LWGYJYJKNNHTPG-LBPRGKRZSA-N -1 3 396.411 2.307 20 5 GEBDHM C[C@@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736199010 598501790 /nfs/dbraw/zinc/50/17/90/598501790.db2.gz LWGYJYJKNNHTPG-LBPRGKRZSA-N -1 3 396.411 2.307 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000738366087 598507848 /nfs/dbraw/zinc/50/78/48/598507848.db2.gz BSOKLXHASUTORU-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000738366087 598507850 /nfs/dbraw/zinc/50/78/50/598507850.db2.gz BSOKLXHASUTORU-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415984 607359846 /nfs/dbraw/zinc/35/98/46/607359846.db2.gz CIIXDPIIFUFKGH-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415984 607359848 /nfs/dbraw/zinc/35/98/48/607359848.db2.gz CIIXDPIIFUFKGH-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM COC(=O)c1cc(OCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000736949844 598752181 /nfs/dbraw/zinc/75/21/81/598752181.db2.gz HMHHMVZFALNHGS-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM CC(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735894391 598794971 /nfs/dbraw/zinc/79/49/71/598794971.db2.gz IGBHOXQJLKVTMB-UHFFFAOYSA-N -1 3 375.389 2.196 20 5 GEBDHM CC(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735894391 598794973 /nfs/dbraw/zinc/79/49/73/598794973.db2.gz IGBHOXQJLKVTMB-UHFFFAOYSA-N -1 3 375.389 2.196 20 5 GEBDHM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735589908 598795310 /nfs/dbraw/zinc/79/53/10/598795310.db2.gz QQKDAFVCUJYZRR-GFCCVEGCSA-N -1 3 387.444 2.154 20 5 GEBDHM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735589908 598795311 /nfs/dbraw/zinc/79/53/11/598795311.db2.gz QQKDAFVCUJYZRR-GFCCVEGCSA-N -1 3 387.444 2.154 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cn1 ZINC000738368167 599404929 /nfs/dbraw/zinc/40/49/29/599404929.db2.gz AESIRTWXEXAJPE-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cn1 ZINC000738368167 599404931 /nfs/dbraw/zinc/40/49/31/599404931.db2.gz AESIRTWXEXAJPE-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821798981 599412336 /nfs/dbraw/zinc/41/23/36/599412336.db2.gz WIYSYWGWHSIGTJ-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821798981 599412338 /nfs/dbraw/zinc/41/23/38/599412338.db2.gz WIYSYWGWHSIGTJ-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826415878 607378511 /nfs/dbraw/zinc/37/85/11/607378511.db2.gz WWPKSOPAWDWFHZ-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826415878 607378513 /nfs/dbraw/zinc/37/85/13/607378513.db2.gz WWPKSOPAWDWFHZ-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000821751695 607379168 /nfs/dbraw/zinc/37/91/68/607379168.db2.gz AEMWEHFJFUEBEK-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM COc1cc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000821720000 599471916 /nfs/dbraw/zinc/47/19/16/599471916.db2.gz LHBBPHABGASHID-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1cc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000821720000 599471917 /nfs/dbraw/zinc/47/19/17/599471917.db2.gz LHBBPHABGASHID-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cn1 ZINC000823640160 599472503 /nfs/dbraw/zinc/47/25/03/599472503.db2.gz WANAMPMUUNHAIB-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cn1 ZINC000823640160 599472505 /nfs/dbraw/zinc/47/25/05/599472505.db2.gz WANAMPMUUNHAIB-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820364639 599478653 /nfs/dbraw/zinc/47/86/53/599478653.db2.gz CNHKGPFNULOLBT-GFCCVEGCSA-N -1 3 396.411 2.247 20 5 GEBDHM C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820364639 599478655 /nfs/dbraw/zinc/47/86/55/599478655.db2.gz CNHKGPFNULOLBT-GFCCVEGCSA-N -1 3 396.411 2.247 20 5 GEBDHM COc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000821703024 599500285 /nfs/dbraw/zinc/50/02/85/599500285.db2.gz LFIUPMVNTIRQNJ-SNVBAGLBSA-N -1 3 398.379 2.283 20 5 GEBDHM COc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000821703024 599500286 /nfs/dbraw/zinc/50/02/86/599500286.db2.gz LFIUPMVNTIRQNJ-SNVBAGLBSA-N -1 3 398.379 2.283 20 5 GEBDHM Cc1nn(C)c(C)c1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822492079 599512099 /nfs/dbraw/zinc/51/20/99/599512099.db2.gz QHRZEAXFIYCNGF-UHFFFAOYSA-N -1 3 393.411 2.310 20 5 GEBDHM Cc1nn(C)c(C)c1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822492079 599512101 /nfs/dbraw/zinc/51/21/01/599512101.db2.gz QHRZEAXFIYCNGF-UHFFFAOYSA-N -1 3 393.411 2.310 20 5 GEBDHM Cn1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822674355 599527095 /nfs/dbraw/zinc/52/70/95/599527095.db2.gz RATODFYTTPJQHK-INIZCTEOSA-N -1 3 391.395 2.398 20 5 GEBDHM Cn1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822674355 599527098 /nfs/dbraw/zinc/52/70/98/599527098.db2.gz RATODFYTTPJQHK-INIZCTEOSA-N -1 3 391.395 2.398 20 5 GEBDHM Cn1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822674356 599527196 /nfs/dbraw/zinc/52/71/96/599527196.db2.gz RATODFYTTPJQHK-MRXNPFEDSA-N -1 3 391.395 2.398 20 5 GEBDHM Cn1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822674356 599527199 /nfs/dbraw/zinc/52/71/99/599527199.db2.gz RATODFYTTPJQHK-MRXNPFEDSA-N -1 3 391.395 2.398 20 5 GEBDHM COC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000821669017 599557597 /nfs/dbraw/zinc/55/75/97/599557597.db2.gz URNKCJXFMORLLD-UHFFFAOYSA-N -1 3 395.335 2.315 20 5 GEBDHM COC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000821669017 599557599 /nfs/dbraw/zinc/55/75/99/599557599.db2.gz URNKCJXFMORLLD-UHFFFAOYSA-N -1 3 395.335 2.315 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000823443494 599649286 /nfs/dbraw/zinc/64/92/86/599649286.db2.gz DOQUFJNSHFJRPB-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000823443494 599649287 /nfs/dbraw/zinc/64/92/87/599649287.db2.gz DOQUFJNSHFJRPB-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM Cc1c(CC(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236380 607390894 /nfs/dbraw/zinc/39/08/94/607390894.db2.gz JQNHSUVKFVUDIP-UHFFFAOYSA-N -1 3 383.364 2.248 20 5 GEBDHM Cc1c(CC(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236380 607390896 /nfs/dbraw/zinc/39/08/96/607390896.db2.gz JQNHSUVKFVUDIP-UHFFFAOYSA-N -1 3 383.364 2.248 20 5 GEBDHM Cc1nn(CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(C)c1[N+](=O)[O-] ZINC000826252974 607403001 /nfs/dbraw/zinc/40/30/01/607403001.db2.gz AYPXVTDMXXOEBF-UHFFFAOYSA-N -1 3 385.384 2.030 20 5 GEBDHM Cc1nn(CCC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c(C)c1[N+](=O)[O-] ZINC000826252974 607403002 /nfs/dbraw/zinc/40/30/02/607403002.db2.gz AYPXVTDMXXOEBF-UHFFFAOYSA-N -1 3 385.384 2.030 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000821745351 607417442 /nfs/dbraw/zinc/41/74/42/607417442.db2.gz RCGNJECEZRDRDR-UHFFFAOYSA-N -1 3 384.352 2.031 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000821745351 607417443 /nfs/dbraw/zinc/41/74/43/607417443.db2.gz RCGNJECEZRDRDR-UHFFFAOYSA-N -1 3 384.352 2.031 20 5 GEBDHM O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826409885 607524554 /nfs/dbraw/zinc/52/45/54/607524554.db2.gz SHQCKRSJKAFYAS-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826409885 607524557 /nfs/dbraw/zinc/52/45/57/607524557.db2.gz SHQCKRSJKAFYAS-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833117814 601740728 /nfs/dbraw/zinc/74/07/28/601740728.db2.gz ZPIRTXLXGKPXTI-NRFANRHFSA-N -1 3 397.431 2.373 20 5 GEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nnn[n-]1 ZINC000826206130 607606047 /nfs/dbraw/zinc/60/60/47/607606047.db2.gz FCWIUBYGCITNGH-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nn[n-]n1 ZINC000826206130 607606049 /nfs/dbraw/zinc/60/60/49/607606049.db2.gz FCWIUBYGCITNGH-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM O=[N+]([O-])c1cc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c2c(c1)COCO2 ZINC000826497926 607706741 /nfs/dbraw/zinc/70/67/41/607706741.db2.gz ZDDBQKDKOZNVOH-UHFFFAOYSA-N -1 3 394.391 2.420 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000826498208 607734564 /nfs/dbraw/zinc/73/45/64/607734564.db2.gz LIDLPEHJZZSRIM-MEDUHNTESA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(-c2nn[n-]n2)c1 ZINC000826498208 607734565 /nfs/dbraw/zinc/73/45/65/607734565.db2.gz LIDLPEHJZZSRIM-MEDUHNTESA-N -1 3 388.334 2.365 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825203717 607735931 /nfs/dbraw/zinc/73/59/31/607735931.db2.gz ONPSWGPQBSXBJV-BXUZGUMPSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825203717 607735932 /nfs/dbraw/zinc/73/59/32/607735932.db2.gz ONPSWGPQBSXBJV-BXUZGUMPSA-N -1 3 385.428 2.224 20 5 GEBDHM O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000823635249 606161051 /nfs/dbraw/zinc/16/10/51/606161051.db2.gz UJJSXASZPLCAPK-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000823635249 606161053 /nfs/dbraw/zinc/16/10/53/606161053.db2.gz UJJSXASZPLCAPK-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM CCN(C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000821197906 606240242 /nfs/dbraw/zinc/24/02/42/606240242.db2.gz OAZNGWPPDVBMFJ-LLVKDONJSA-N -1 3 399.377 2.485 20 5 GEBDHM CCN(C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000821197906 606240245 /nfs/dbraw/zinc/24/02/45/606240245.db2.gz OAZNGWPPDVBMFJ-LLVKDONJSA-N -1 3 399.377 2.485 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000823347561 606262602 /nfs/dbraw/zinc/26/26/02/606262602.db2.gz ZQIXMODJXXJSDY-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000823347561 606262604 /nfs/dbraw/zinc/26/26/04/606262604.db2.gz ZQIXMODJXXJSDY-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821615671 606315920 /nfs/dbraw/zinc/31/59/20/606315920.db2.gz IHWQWNNVFTUXTR-CQSZACIVSA-N -1 3 399.436 2.074 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821615671 606315921 /nfs/dbraw/zinc/31/59/21/606315921.db2.gz IHWQWNNVFTUXTR-CQSZACIVSA-N -1 3 399.436 2.074 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccccc1-c1nnn[n-]1 ZINC000822212873 606331611 /nfs/dbraw/zinc/33/16/11/606331611.db2.gz KYDAXMHEGFFGND-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccccc1-c1nn[n-]n1 ZINC000822212873 606331613 /nfs/dbraw/zinc/33/16/13/606331613.db2.gz KYDAXMHEGFFGND-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000822213147 606331698 /nfs/dbraw/zinc/33/16/98/606331698.db2.gz WOKMMVUXFGJWPW-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000822213147 606331699 /nfs/dbraw/zinc/33/16/99/606331699.db2.gz WOKMMVUXFGJWPW-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508684 606341060 /nfs/dbraw/zinc/34/10/60/606341060.db2.gz VEOJNHOYDHGMFH-SECBINFHSA-N -1 3 383.320 2.422 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508684 606341061 /nfs/dbraw/zinc/34/10/61/606341061.db2.gz VEOJNHOYDHGMFH-SECBINFHSA-N -1 3 383.320 2.422 20 5 GEBDHM C[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502397 606357945 /nfs/dbraw/zinc/35/79/45/606357945.db2.gz QORIICPPMHHBEO-LLVKDONJSA-N -1 3 393.363 2.429 20 5 GEBDHM C[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502397 606357947 /nfs/dbraw/zinc/35/79/47/606357947.db2.gz QORIICPPMHHBEO-LLVKDONJSA-N -1 3 393.363 2.429 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648689 606365872 /nfs/dbraw/zinc/36/58/72/606365872.db2.gz PZEMXGRZKCMELP-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648689 606365874 /nfs/dbraw/zinc/36/58/74/606365874.db2.gz PZEMXGRZKCMELP-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000822874338 606429487 /nfs/dbraw/zinc/42/94/87/606429487.db2.gz YAYHEXSOGLQVLQ-CQSZACIVSA-N -1 3 387.787 2.457 20 5 GEBDHM NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000822874338 606429488 /nfs/dbraw/zinc/42/94/88/606429488.db2.gz YAYHEXSOGLQVLQ-CQSZACIVSA-N -1 3 387.787 2.457 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820508881 606567303 /nfs/dbraw/zinc/56/73/03/606567303.db2.gz ZPIREGHDUNQMJC-QMMMGPOBSA-N -1 3 388.365 2.020 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820508881 606567305 /nfs/dbraw/zinc/56/73/05/606567305.db2.gz ZPIREGHDUNQMJC-QMMMGPOBSA-N -1 3 388.365 2.020 20 5 GEBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823443451 606571274 /nfs/dbraw/zinc/57/12/74/606571274.db2.gz CWARJMVYZBCWHI-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823443451 606571275 /nfs/dbraw/zinc/57/12/75/606571275.db2.gz CWARJMVYZBCWHI-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM CC(=O)Nc1cccc(OCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000819827715 606645504 /nfs/dbraw/zinc/64/55/04/606645504.db2.gz VHPJQRVRELUMJJ-UHFFFAOYSA-N -1 3 383.368 2.224 20 5 GEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000820536014 606823501 /nfs/dbraw/zinc/82/35/01/606823501.db2.gz RLQKLKHAGMONMX-LBPRGKRZSA-N -1 3 383.364 2.328 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823629999 606876772 /nfs/dbraw/zinc/87/67/72/606876772.db2.gz PDRRYXLTSJESGF-CRAIPNDOSA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823629999 606876773 /nfs/dbraw/zinc/87/67/73/606876773.db2.gz PDRRYXLTSJESGF-CRAIPNDOSA-N -1 3 396.407 2.104 20 5 GEBDHM Cc1cc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000822211916 606884543 /nfs/dbraw/zinc/88/45/43/606884543.db2.gz SZTVBWXXWDTYJY-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000822211916 606884544 /nfs/dbraw/zinc/88/45/44/606884544.db2.gz SZTVBWXXWDTYJY-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822238410 606948142 /nfs/dbraw/zinc/94/81/42/606948142.db2.gz GQNYUGOAMLCFHC-CQSZACIVSA-N -1 3 397.395 2.258 20 5 GEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238410 606948143 /nfs/dbraw/zinc/94/81/43/606948143.db2.gz GQNYUGOAMLCFHC-CQSZACIVSA-N -1 3 397.395 2.258 20 5 GEBDHM CCS[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821446922 607042979 /nfs/dbraw/zinc/04/29/79/607042979.db2.gz FXRJUWXUTVXWMQ-QMMMGPOBSA-N -1 3 391.417 2.003 20 5 GEBDHM CCS[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821446922 607042981 /nfs/dbraw/zinc/04/29/81/607042981.db2.gz FXRJUWXUTVXWMQ-QMMMGPOBSA-N -1 3 391.417 2.003 20 5 GEBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823414094 607079427 /nfs/dbraw/zinc/07/94/27/607079427.db2.gz SMTLHHQCEBRULN-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823414094 607079429 /nfs/dbraw/zinc/07/94/29/607079429.db2.gz SMTLHHQCEBRULN-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822974708 607079572 /nfs/dbraw/zinc/07/95/72/607079572.db2.gz ZROMUJOFNDVPQX-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822974708 607079575 /nfs/dbraw/zinc/07/95/75/607079575.db2.gz ZROMUJOFNDVPQX-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM COc1ccc(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821787679 607082722 /nfs/dbraw/zinc/08/27/22/607082722.db2.gz XTXIVFFFDKIXJQ-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM COc1ccc(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821787679 607082724 /nfs/dbraw/zinc/08/27/24/607082724.db2.gz XTXIVFFFDKIXJQ-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822271302 607143263 /nfs/dbraw/zinc/14/32/63/607143263.db2.gz VXLDQVWKLUEITN-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822271302 607143264 /nfs/dbraw/zinc/14/32/64/607143264.db2.gz VXLDQVWKLUEITN-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cccc(NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)n1 ZINC000826299569 607841352 /nfs/dbraw/zinc/84/13/52/607841352.db2.gz LFRNDYLEYAYDHP-CYBMUJFWSA-N -1 3 380.412 2.417 20 5 GEBDHM CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825998983 607847415 /nfs/dbraw/zinc/84/74/15/607847415.db2.gz HTQFISCHOCMAKA-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825998983 607847416 /nfs/dbraw/zinc/84/74/16/607847416.db2.gz HTQFISCHOCMAKA-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826499759 607873612 /nfs/dbraw/zinc/87/36/12/607873612.db2.gz WFJWNRHUTVHCTO-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826498528 607875887 /nfs/dbraw/zinc/87/58/87/607875887.db2.gz ZDSXFDKOSVQULY-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM Cc1ccc(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(C)c1 ZINC000826292220 607876369 /nfs/dbraw/zinc/87/63/69/607876369.db2.gz LUJNAZJZLKOWJY-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(C)c1 ZINC000826292220 607876370 /nfs/dbraw/zinc/87/63/70/607876370.db2.gz LUJNAZJZLKOWJY-ZDUSSCGKSA-N -1 3 385.380 2.210 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826499732 607878556 /nfs/dbraw/zinc/87/85/56/607878556.db2.gz VAFZNUJBQWAHEK-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826499732 607878557 /nfs/dbraw/zinc/87/85/57/607878557.db2.gz VAFZNUJBQWAHEK-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000826463516 607929226 /nfs/dbraw/zinc/92/92/26/607929226.db2.gz JCUSXGGAFQZAHQ-UHFFFAOYSA-N -1 3 394.347 2.492 20 5 GEBDHM O=C1CCc2cc([N+](=O)[O-])c(N3CCc4ccc(-c5nnn[n-]5)cc43)cc2N1 ZINC000826480411 607935865 /nfs/dbraw/zinc/93/58/65/607935865.db2.gz AJKBIAHKGFUBIT-UHFFFAOYSA-N -1 3 377.364 2.354 20 5 GEBDHM O=C1CCc2cc([N+](=O)[O-])c(N3CCc4ccc(-c5nn[n-]n5)cc43)cc2N1 ZINC000826480411 607935866 /nfs/dbraw/zinc/93/58/66/607935866.db2.gz AJKBIAHKGFUBIT-UHFFFAOYSA-N -1 3 377.364 2.354 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826420200 607957076 /nfs/dbraw/zinc/95/70/76/607957076.db2.gz CMFWQYUCOMEYRF-UHFFFAOYSA-N -1 3 396.432 2.452 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826420200 607957077 /nfs/dbraw/zinc/95/70/77/607957077.db2.gz CMFWQYUCOMEYRF-UHFFFAOYSA-N -1 3 396.432 2.452 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826421595 607982138 /nfs/dbraw/zinc/98/21/38/607982138.db2.gz PJUWLFHCDLIHMI-UHFFFAOYSA-N -1 3 395.354 2.254 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826421595 607982139 /nfs/dbraw/zinc/98/21/39/607982139.db2.gz PJUWLFHCDLIHMI-UHFFFAOYSA-N -1 3 395.354 2.254 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826421486 607985744 /nfs/dbraw/zinc/98/57/44/607985744.db2.gz KDEPMWKHPKDDHI-UHFFFAOYSA-N -1 3 395.354 2.254 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826421486 607985745 /nfs/dbraw/zinc/98/57/45/607985745.db2.gz KDEPMWKHPKDDHI-UHFFFAOYSA-N -1 3 395.354 2.254 20 5 GEBDHM CCOC(=O)CC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825507412 608018907 /nfs/dbraw/zinc/01/89/07/608018907.db2.gz QRSKHDFBUPWSRV-SNVBAGLBSA-N -1 3 385.384 2.467 20 5 GEBDHM CCOC(=O)CC[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825507412 608018908 /nfs/dbraw/zinc/01/89/08/608018908.db2.gz QRSKHDFBUPWSRV-SNVBAGLBSA-N -1 3 385.384 2.467 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826455398 608049629 /nfs/dbraw/zinc/04/96/29/608049629.db2.gz MMJVERGDUOOQEU-INIZCTEOSA-N -1 3 395.379 2.380 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826455398 608049630 /nfs/dbraw/zinc/04/96/30/608049630.db2.gz MMJVERGDUOOQEU-INIZCTEOSA-N -1 3 395.379 2.380 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826455399 608049800 /nfs/dbraw/zinc/04/98/00/608049800.db2.gz MMJVERGDUOOQEU-MRXNPFEDSA-N -1 3 395.379 2.380 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826455399 608049801 /nfs/dbraw/zinc/04/98/01/608049801.db2.gz MMJVERGDUOOQEU-MRXNPFEDSA-N -1 3 395.379 2.380 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826212069 608052130 /nfs/dbraw/zinc/05/21/30/608052130.db2.gz FUDBQQGJSZAFBT-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826212069 608052131 /nfs/dbraw/zinc/05/21/31/608052131.db2.gz FUDBQQGJSZAFBT-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826500580 608052722 /nfs/dbraw/zinc/05/27/22/608052722.db2.gz CSXHGOHBLCWJCI-AWEZNQCLSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826500580 608052723 /nfs/dbraw/zinc/05/27/23/608052723.db2.gz CSXHGOHBLCWJCI-AWEZNQCLSA-N -1 3 387.787 2.401 20 5 GEBDHM COc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826194948 608068968 /nfs/dbraw/zinc/06/89/68/608068968.db2.gz BNIVBIAGGFCNDV-SFHVURJKSA-N -1 3 396.407 2.357 20 5 GEBDHM COc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826194948 608068969 /nfs/dbraw/zinc/06/89/69/608068969.db2.gz BNIVBIAGGFCNDV-SFHVURJKSA-N -1 3 396.407 2.357 20 5 GEBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826475237 608082916 /nfs/dbraw/zinc/08/29/16/608082916.db2.gz ZJCFNACQNJSXKA-ZDUSSCGKSA-N -1 3 386.393 2.050 20 5 GEBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826475237 608082917 /nfs/dbraw/zinc/08/29/17/608082917.db2.gz ZJCFNACQNJSXKA-ZDUSSCGKSA-N -1 3 386.393 2.050 20 5 GEBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826464057 608104820 /nfs/dbraw/zinc/10/48/20/608104820.db2.gz GVUPZHQKHOOSPG-UHFFFAOYSA-N -1 3 394.347 2.492 20 5 GEBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826464057 608104821 /nfs/dbraw/zinc/10/48/21/608104821.db2.gz GVUPZHQKHOOSPG-UHFFFAOYSA-N -1 3 394.347 2.492 20 5 GEBDHM COc1ccnc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826220927 608159795 /nfs/dbraw/zinc/15/97/95/608159795.db2.gz GZNBVGIWXAFROG-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM COc1ccnc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826220927 608159796 /nfs/dbraw/zinc/15/97/96/608159796.db2.gz GZNBVGIWXAFROG-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM CC(C)n1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000824371576 608161380 /nfs/dbraw/zinc/16/13/80/608161380.db2.gz KLVJWVUHITWBRS-UHFFFAOYSA-N -1 3 376.764 2.458 20 5 GEBDHM CC(C)n1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000824371576 608161382 /nfs/dbraw/zinc/16/13/82/608161382.db2.gz KLVJWVUHITWBRS-UHFFFAOYSA-N -1 3 376.764 2.458 20 5 GEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825793621 608174594 /nfs/dbraw/zinc/17/45/94/608174594.db2.gz YQWBJWPOWAXLHZ-UHFFFAOYSA-N -1 3 392.379 2.326 20 5 GEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825793621 608174595 /nfs/dbraw/zinc/17/45/95/608174595.db2.gz YQWBJWPOWAXLHZ-UHFFFAOYSA-N -1 3 392.379 2.326 20 5 GEBDHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H](O)C(F)(F)F ZINC000825149060 608231998 /nfs/dbraw/zinc/23/19/98/608231998.db2.gz UZCOPNJQYCRZBU-MFKMUULPSA-N -1 3 397.317 2.437 20 5 GEBDHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H](O)C(F)(F)F ZINC000825149060 608232000 /nfs/dbraw/zinc/23/20/00/608232000.db2.gz UZCOPNJQYCRZBU-MFKMUULPSA-N -1 3 397.317 2.437 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000826254899 608330146 /nfs/dbraw/zinc/33/01/46/608330146.db2.gz FGAJGLSBMLXCQP-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000826254899 608330149 /nfs/dbraw/zinc/33/01/49/608330149.db2.gz FGAJGLSBMLXCQP-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM CNc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1[N+](=O)[O-] ZINC000826091232 608343622 /nfs/dbraw/zinc/34/36/22/608343622.db2.gz ZWCWDRMOUCLIFS-UHFFFAOYSA-N -1 3 384.352 2.182 20 5 GEBDHM CNc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1[N+](=O)[O-] ZINC000826091232 608343625 /nfs/dbraw/zinc/34/36/25/608343625.db2.gz ZWCWDRMOUCLIFS-UHFFFAOYSA-N -1 3 384.352 2.182 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000826172105 608345753 /nfs/dbraw/zinc/34/57/53/608345753.db2.gz NIXBETARAOUUFC-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000826172105 608345756 /nfs/dbraw/zinc/34/57/56/608345756.db2.gz NIXBETARAOUUFC-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826170021 608355207 /nfs/dbraw/zinc/35/52/07/608355207.db2.gz MHEDRWNOGHKCON-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826424218 608380869 /nfs/dbraw/zinc/38/08/69/608380869.db2.gz BBEBVWRRPCRQLT-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826424218 608380871 /nfs/dbraw/zinc/38/08/71/608380871.db2.gz BBEBVWRRPCRQLT-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826501184 608407119 /nfs/dbraw/zinc/40/71/19/608407119.db2.gz DDXLYGJKEYKBOY-UHFFFAOYSA-N -1 3 398.713 2.240 20 5 GEBDHM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826501184 608407120 /nfs/dbraw/zinc/40/71/20/608407120.db2.gz DDXLYGJKEYKBOY-UHFFFAOYSA-N -1 3 398.713 2.240 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)n1 ZINC000826293088 608410379 /nfs/dbraw/zinc/41/03/79/608410379.db2.gz AFMWXLVKFVBDEM-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)n1 ZINC000826293088 608410381 /nfs/dbraw/zinc/41/03/81/608410381.db2.gz AFMWXLVKFVBDEM-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000824744843 608433525 /nfs/dbraw/zinc/43/35/25/608433525.db2.gz HEPLNWCAOJNJGH-NWDGAFQWSA-N -1 3 382.380 2.420 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000824744843 608433526 /nfs/dbraw/zinc/43/35/26/608433526.db2.gz HEPLNWCAOJNJGH-NWDGAFQWSA-N -1 3 382.380 2.420 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826500073 608509667 /nfs/dbraw/zinc/50/96/67/608509667.db2.gz KAYSCIYZZOVJNK-XQRVVYSFSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826500073 608509669 /nfs/dbraw/zinc/50/96/69/608509669.db2.gz KAYSCIYZZOVJNK-XQRVVYSFSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826500712 608645494 /nfs/dbraw/zinc/64/54/94/608645494.db2.gz JJUCRQANUWKODG-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826500712 608645496 /nfs/dbraw/zinc/64/54/96/608645496.db2.gz JJUCRQANUWKODG-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC000826272460 609163885 /nfs/dbraw/zinc/16/38/85/609163885.db2.gz KSOIPNMRQPRUMC-UHFFFAOYSA-N -1 3 375.366 2.381 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000826364221 609172572 /nfs/dbraw/zinc/17/25/72/609172572.db2.gz OUHRAFLNVMWNFW-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000826364221 609172573 /nfs/dbraw/zinc/17/25/73/609172573.db2.gz OUHRAFLNVMWNFW-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826363002 609505554 /nfs/dbraw/zinc/50/55/54/609505554.db2.gz RTHOVJLWQSEFES-UHFFFAOYSA-N -1 3 391.347 2.395 20 5 GEBDHM Cn1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826363002 609505555 /nfs/dbraw/zinc/50/55/55/609505555.db2.gz RTHOVJLWQSEFES-UHFFFAOYSA-N -1 3 391.347 2.395 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000826279376 609558308 /nfs/dbraw/zinc/55/83/08/609558308.db2.gz OIHBWISUMKKKBF-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000826279376 609558311 /nfs/dbraw/zinc/55/83/11/609558311.db2.gz OIHBWISUMKKKBF-UHFFFAOYSA-N -1 3 389.393 2.035 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478287 609578060 /nfs/dbraw/zinc/57/80/60/609578060.db2.gz YKKVQRSISQWQFG-INIZCTEOSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478287 609578062 /nfs/dbraw/zinc/57/80/62/609578062.db2.gz YKKVQRSISQWQFG-INIZCTEOSA-N -1 3 379.380 2.382 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293442 609629845 /nfs/dbraw/zinc/62/98/45/609629845.db2.gz PEWJELDOERVLQB-ZBEGNZNMSA-N -1 3 383.364 2.421 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293442 609629846 /nfs/dbraw/zinc/62/98/46/609629846.db2.gz PEWJELDOERVLQB-ZBEGNZNMSA-N -1 3 383.364 2.421 20 5 GEBDHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447022803 649994509 /nfs/dbraw/zinc/99/45/09/649994509.db2.gz HCZSPKHJPSIWMH-UHFFFAOYSA-N -1 3 384.332 2.234 20 5 GEBDHM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447037039 649995652 /nfs/dbraw/zinc/99/56/52/649995652.db2.gz JUDBCKLNDLNTII-MRVPVSSYSA-N -1 3 384.332 2.091 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c(Br)c1 ZINC000481218473 650641389 /nfs/dbraw/zinc/64/13/89/650641389.db2.gz NQAFJZOSNLGTBN-SNVBAGLBSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1)OCCO2 ZINC000486679153 650718726 /nfs/dbraw/zinc/71/87/26/650718726.db2.gz CPYWRJNBIWGLJC-SECBINFHSA-N -1 3 378.353 2.222 20 5 GEBDHM COc1cc(OC)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000066000939 642894626 /nfs/dbraw/zinc/89/46/26/642894626.db2.gz GFHFZSFIRQKIKK-UHFFFAOYSA-N -1 3 388.423 2.161 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000494547577 650810977 /nfs/dbraw/zinc/81/09/77/650810977.db2.gz KUESRIZGUKEIKB-UHFFFAOYSA-N -1 3 381.435 2.414 20 5 GEBDHM O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000101579556 643111058 /nfs/dbraw/zinc/11/10/58/643111058.db2.gz JAOBCVOBQBFGAR-UHFFFAOYSA-N -1 3 389.861 2.223 20 5 GEBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119200691 643541361 /nfs/dbraw/zinc/54/13/61/643541361.db2.gz YBEYMHXUZIXFHF-RNCFNFMXSA-N -1 3 395.275 2.433 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000119358734 643548158 /nfs/dbraw/zinc/54/81/58/643548158.db2.gz DTRKSOQSNSNOIQ-SNVBAGLBSA-N -1 3 379.423 2.277 20 5 GEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000125530427 643708348 /nfs/dbraw/zinc/70/83/48/643708348.db2.gz DCUDGJLZIVXENF-UHFFFAOYSA-N -1 3 380.279 2.453 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccn3)C2)c(Cl)c1 ZINC000159345407 644188436 /nfs/dbraw/zinc/18/84/36/644188436.db2.gz UZRPFHQYTCQOOK-NSHDSACASA-N -1 3 382.829 2.200 20 5 GEBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269850475 646067538 /nfs/dbraw/zinc/06/75/38/646067538.db2.gz ZPWASSDGYUESLJ-DTWKUNHWSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000278929754 646563149 /nfs/dbraw/zinc/56/31/49/646563149.db2.gz VXXOBDFOMPRRSM-GFCCVEGCSA-N -1 3 378.332 2.219 20 5 GEBDHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410348 648116217 /nfs/dbraw/zinc/11/62/17/648116217.db2.gz XDXFMXKYDVOQTK-QWHCGFSZSA-N -1 3 382.360 2.443 20 5 GEBDHM CCn1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000416588399 648178475 /nfs/dbraw/zinc/17/84/75/648178475.db2.gz QWXYJAKKATZKHX-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000416661035 648205098 /nfs/dbraw/zinc/20/50/98/648205098.db2.gz QFFQSUDHKHSLQG-NXEZZACHSA-N -1 3 382.360 2.443 20 5 GEBDHM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443249679 648869063 /nfs/dbraw/zinc/86/90/63/648869063.db2.gz MUTMPOAZQFYAMP-JTQLQIEISA-N -1 3 381.248 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c(F)c1 ZINC000443270391 648870495 /nfs/dbraw/zinc/87/04/95/648870495.db2.gz ICZNTDSWTIPMIP-GFCCVEGCSA-N -1 3 376.312 2.024 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)c(F)c1 ZINC000561574745 651481011 /nfs/dbraw/zinc/48/10/11/651481011.db2.gz KJXBPGFPKPZVHJ-SNVBAGLBSA-N -1 3 388.804 2.442 20 5 GEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000609615936 651627600 /nfs/dbraw/zinc/62/76/00/651627600.db2.gz PGVCAJSVBKXGDI-AWEZNQCLSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCO2)c(Br)c1 ZINC000610955491 651695511 /nfs/dbraw/zinc/69/55/11/651695511.db2.gz MHNWIUBEOHPSMC-SNVBAGLBSA-N -1 3 379.232 2.205 20 5 GEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000612684544 651765138 /nfs/dbraw/zinc/76/51/38/651765138.db2.gz SZKPEHCXKVWFEC-KFWWJZLASA-N -1 3 390.845 2.253 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c(Cl)c1 ZINC000577902116 652227979 /nfs/dbraw/zinc/22/79/79/652227979.db2.gz BTGWWZGMYUSQQY-UHFFFAOYSA-N -1 3 386.695 2.129 20 5 GEBDHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000751287934 652338608 /nfs/dbraw/zinc/33/86/08/652338608.db2.gz JZBJSJQYHABTFH-CQSZACIVSA-N -1 3 386.813 2.269 20 5 GEBDHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000761344005 652644706 /nfs/dbraw/zinc/64/47/06/652644706.db2.gz VJYNCJHANKHUME-MRVPVSSYSA-N -1 3 386.760 2.032 20 5 GEBDHM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594808024 652684779 /nfs/dbraw/zinc/68/47/79/652684779.db2.gz JHUXXYXWNAJFJB-CYZMBNFOSA-N -1 3 392.861 2.093 20 5 GEBDHM CCn1nccc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595414910 652726542 /nfs/dbraw/zinc/72/65/42/652726542.db2.gz HWELVNFCYOVYGU-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM CCN(CC)S(=O)(=O)c1ccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nc1 ZINC000596057999 652753408 /nfs/dbraw/zinc/75/34/08/652753408.db2.gz AUALZUNFXMNZIJ-UHFFFAOYSA-N -1 3 384.439 2.272 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601374676 653089258 /nfs/dbraw/zinc/08/92/58/653089258.db2.gz HYMZBIFIACVPNI-NHYWBVRUSA-N -1 3 390.458 2.375 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC000768848952 653131701 /nfs/dbraw/zinc/13/17/01/653131701.db2.gz RBKCYBKERQRJFU-GFCCVEGCSA-N -1 3 396.368 2.385 20 5 GEBDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000770101530 653197772 /nfs/dbraw/zinc/19/77/72/653197772.db2.gz FNJKOWUTXSSFPT-GFCCVEGCSA-N -1 3 378.834 2.255 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN2CCCC[C@H]12 ZINC000814990253 653642361 /nfs/dbraw/zinc/64/23/61/653642361.db2.gz JIMCIGVIEUNOFG-VXGBXAGGSA-N -1 3 377.825 2.292 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000815024103 653645233 /nfs/dbraw/zinc/64/52/33/653645233.db2.gz SCAAJQKCABFUST-BDAKNGLRSA-N -1 3 377.825 2.291 20 5 GEBDHM CC1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])OCCO1 ZINC000841513743 653724327 /nfs/dbraw/zinc/72/43/27/653724327.db2.gz YSANKFUUPCWLKA-UHFFFAOYSA-N -1 3 384.332 2.045 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)O1 ZINC000841559757 653733649 /nfs/dbraw/zinc/73/36/49/653733649.db2.gz HDMMSAGYKDKMDK-KXUCPTDWSA-N -1 3 393.259 2.449 20 5 GEBDHM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000882700011 653798689 /nfs/dbraw/zinc/79/86/89/653798689.db2.gz RTRHDODOBBBNKJ-DTORHVGOSA-N -1 3 379.232 2.061 20 5 GEBDHM CC[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC000790933489 653801260 /nfs/dbraw/zinc/80/12/60/653801260.db2.gz YCGDFRUMNFAIAV-GFCCVEGCSA-N -1 3 379.232 2.205 20 5 GEBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796107636 653986643 /nfs/dbraw/zinc/98/66/43/653986643.db2.gz MQFDLHOUWAWYLK-OIBJUYFYSA-N -1 3 381.273 2.387 20 5 GEBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000848698547 653992863 /nfs/dbraw/zinc/99/28/63/653992863.db2.gz WBHIAMSPTQNRCN-UHFFFAOYSA-N -1 3 381.357 2.485 20 5 GEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000798227574 654055651 /nfs/dbraw/zinc/05/56/51/654055651.db2.gz TWBSNVRMVUXYLI-IUCAKERBSA-N -1 3 377.825 2.291 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c1 ZINC000832317729 654258744 /nfs/dbraw/zinc/25/87/44/654258744.db2.gz PWBRLRSKOJNGEF-LBPRGKRZSA-N -1 3 391.243 2.205 20 5 GEBDHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832511122 654270864 /nfs/dbraw/zinc/27/08/64/654270864.db2.gz NHMSCKBLCZEVOL-LLVKDONJSA-N -1 3 379.232 2.061 20 5 GEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000805033693 654338362 /nfs/dbraw/zinc/33/83/62/654338362.db2.gz PEWAZPDMBHFIAB-UHFFFAOYSA-N -1 3 390.830 2.142 20 5 GEBDHM Cc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C ZINC000152619147 531563330 /nfs/dbraw/zinc/56/33/30/531563330.db2.gz FXRMNWFYIAXCJO-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000055954599 531799130 /nfs/dbraw/zinc/79/91/30/531799130.db2.gz NMCPPCWSONLZNV-NSHDSACASA-N -1 3 384.797 2.367 20 5 GEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000162163756 531834777 /nfs/dbraw/zinc/83/47/77/531834777.db2.gz DTYYKJIPPOVIDG-LLVKDONJSA-N -1 3 392.275 2.120 20 5 GEBDHM CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120685608 531988581 /nfs/dbraw/zinc/98/85/81/531988581.db2.gz LNXHNGMSMGFPKJ-UHFFFAOYSA-N -1 3 391.877 2.467 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c1 ZINC000121862924 532050258 /nfs/dbraw/zinc/05/02/58/532050258.db2.gz YJLHUXKOZOGODL-CABZTGNLSA-N -1 3 393.259 2.187 20 5 GEBDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175639900 532110456 /nfs/dbraw/zinc/11/04/56/532110456.db2.gz YMXYYKYZAODUSX-FNIMQGLVSA-N -1 3 378.447 2.092 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000133497722 532236658 /nfs/dbraw/zinc/23/66/58/532236658.db2.gz SYYYGWVTEXQOTB-UHFFFAOYSA-N -1 3 389.842 2.018 20 5 GEBDHM CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n[n-]1 ZINC000181749672 532306044 /nfs/dbraw/zinc/30/60/44/532306044.db2.gz OBOLWHFLSJJMGW-UHFFFAOYSA-N -1 3 397.185 2.438 20 5 GEBDHM CCOC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[n-]n1 ZINC000181749672 532306046 /nfs/dbraw/zinc/30/60/46/532306046.db2.gz OBOLWHFLSJJMGW-UHFFFAOYSA-N -1 3 397.185 2.438 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000187757418 532345458 /nfs/dbraw/zinc/34/54/58/532345458.db2.gz NQQGIKKKIMPXOK-QMMMGPOBSA-N -1 3 375.403 2.281 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000589922792 532364802 /nfs/dbraw/zinc/36/48/02/532364802.db2.gz OHTCMJCOMAYTTR-MFKMUULPSA-N -1 3 382.360 2.336 20 5 GEBDHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000278010707 532368710 /nfs/dbraw/zinc/36/87/10/532368710.db2.gz VURIOFKXLDBOAR-PELKAZGASA-N -1 3 379.232 2.061 20 5 GEBDHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000425197971 532371720 /nfs/dbraw/zinc/37/17/20/532371720.db2.gz COVFZNFMWGHVJJ-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cn3c(n2)CCCC3)c(Cl)c1 ZINC000372538120 532395127 /nfs/dbraw/zinc/39/51/27/532395127.db2.gz NSOBKUGLJJTYGV-UHFFFAOYSA-N -1 3 384.845 2.302 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCSC2)ccc1Br ZINC000279730568 532399476 /nfs/dbraw/zinc/39/94/76/532399476.db2.gz JOZCLEXNHLJHRD-MRVPVSSYSA-N -1 3 381.273 2.389 20 5 GEBDHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)CCCF)c1ccccc1[N+](=O)[O-] ZINC000427447603 532424249 /nfs/dbraw/zinc/42/42/49/532424249.db2.gz YUHPMYSAIWTFCC-CYBMUJFWSA-N -1 3 376.406 2.257 20 5 GEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295725765 532472863 /nfs/dbraw/zinc/47/28/63/532472863.db2.gz QZCQJKCTQRJBHV-UHFFFAOYSA-N -1 3 375.175 2.360 20 5 GEBDHM CN(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429332117 532473381 /nfs/dbraw/zinc/47/33/81/532473381.db2.gz SFSWZCKVBYCEEQ-QWRGUYRKSA-N -1 3 392.275 2.118 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)nc1 ZINC000593557432 532486514 /nfs/dbraw/zinc/48/65/14/532486514.db2.gz DLTLDSASSOQCCA-GFCCVEGCSA-N -1 3 382.829 2.200 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1 ZINC000431078602 532505215 /nfs/dbraw/zinc/50/52/15/532505215.db2.gz VGVJPQFXLZIDBY-CYBMUJFWSA-N -1 3 384.841 2.378 20 5 GEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594858937 532535927 /nfs/dbraw/zinc/53/59/27/532535927.db2.gz VJXSYPQMUJFJCJ-CYBMUJFWSA-N -1 3 378.353 2.095 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594860287 532537020 /nfs/dbraw/zinc/53/70/20/532537020.db2.gz MCVUFOUQOMLWCV-OLZOCXBDSA-N -1 3 384.483 2.388 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H](c2nnc[nH]2)c2ccccc2)s1 ZINC000375179178 532539836 /nfs/dbraw/zinc/53/98/36/532539836.db2.gz WNOKFRTVKBITGT-LBPRGKRZSA-N -1 3 379.423 2.379 20 5 GEBDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)(F)F ZINC000594701218 532520558 /nfs/dbraw/zinc/52/05/58/532520558.db2.gz WOULVOOKBHNMJO-LLVKDONJSA-N -1 3 384.332 2.066 20 5 GEBDHM COCc1csc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000594849542 532534053 /nfs/dbraw/zinc/53/40/53/532534053.db2.gz CVRZAOAWTYJMJE-UHFFFAOYSA-N -1 3 390.414 2.429 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(O)CC2)c(Br)c1 ZINC000595354870 532559373 /nfs/dbraw/zinc/55/93/73/532559373.db2.gz YCAHLXWWNIHOIX-UHFFFAOYSA-N -1 3 393.259 2.187 20 5 GEBDHM O=C(NCc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1I ZINC000473634390 532596619 /nfs/dbraw/zinc/59/66/19/532596619.db2.gz SZQJAQDPHCWNRJ-UHFFFAOYSA-N -1 3 399.144 2.230 20 5 GEBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000284545007 532601506 /nfs/dbraw/zinc/60/15/06/532601506.db2.gz AYSWDAWVCQQRNV-UHFFFAOYSA-N -1 3 393.197 2.360 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H]2CCN(C3CC3)C2)c1 ZINC000284958050 532634937 /nfs/dbraw/zinc/63/49/37/532634937.db2.gz AHBMTOWKNOYINA-SECBINFHSA-N -1 3 377.825 2.150 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1)OCCO2 ZINC000599458918 532660265 /nfs/dbraw/zinc/66/02/65/532660265.db2.gz BXGMPACNFBOLJH-WDEREUQCSA-N -1 3 382.419 2.262 20 5 GEBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000603804045 532698292 /nfs/dbraw/zinc/69/82/92/532698292.db2.gz AOFONKUYPSJDOJ-UHFFFAOYSA-N -1 3 384.439 2.195 20 5 GEBDHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000440088475 532707065 /nfs/dbraw/zinc/70/70/65/532707065.db2.gz AAEOXXQDDQUJKE-SNVBAGLBSA-N -1 3 394.291 2.366 20 5 GEBDHM C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000440093217 532707550 /nfs/dbraw/zinc/70/75/50/532707550.db2.gz RTIADNDYOSEFEY-PYEVWLCESA-N -1 3 376.818 2.424 20 5 GEBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1(C)C ZINC000440392674 532711843 /nfs/dbraw/zinc/71/18/43/532711843.db2.gz RZPYHUZOEWWORL-RYUDHWBXSA-N -1 3 393.259 2.449 20 5 GEBDHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000539219361 532727060 /nfs/dbraw/zinc/72/70/60/532727060.db2.gz HTLWIDAYDPNLPU-SKDRFNHKSA-N -1 3 393.259 2.451 20 5 GEBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443298305 532744491 /nfs/dbraw/zinc/74/44/91/532744491.db2.gz PBRZGJPHYSLRSO-ZANVPECISA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c(F)c1 ZINC000269152380 532776189 /nfs/dbraw/zinc/77/61/89/532776189.db2.gz SRLHZJKWFTYARI-IINYFYTJSA-N -1 3 376.431 2.067 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC2CCOCC2)c1 ZINC000512197734 532776574 /nfs/dbraw/zinc/77/65/74/532776574.db2.gz BUEGHQORVOGIKH-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c(F)c1 ZINC000269296822 532778938 /nfs/dbraw/zinc/77/89/38/532778938.db2.gz ASZLMWKNYUEPMM-NSHDSACASA-N -1 3 390.458 2.457 20 5 GEBDHM O=[N+]([O-])c1ccccc1CNCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000509400587 532768812 /nfs/dbraw/zinc/76/88/12/532768812.db2.gz FPDMOPLFATYOAK-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)c(Br)c1 ZINC000330482605 532819029 /nfs/dbraw/zinc/81/90/29/532819029.db2.gz UDPQUPZVIRNCII-CABZTGNLSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)c(Br)c1 ZINC000330482606 532819067 /nfs/dbraw/zinc/81/90/67/532819067.db2.gz UDPQUPZVIRNCII-JOYOIKCWSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000330481675 532819220 /nfs/dbraw/zinc/81/92/20/532819220.db2.gz SCGMOWUJEJVRGH-OLZOCXBDSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1c(Br)cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc1[N+](=O)[O-] ZINC000273187766 532820803 /nfs/dbraw/zinc/82/08/03/532820803.db2.gz GEUDRXMPSLONGP-UHFFFAOYSA-N -1 3 393.197 2.360 20 5 GEBDHM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330795131 532827322 /nfs/dbraw/zinc/82/73/22/532827322.db2.gz WPYKQRJOWNDULC-CMPLNLGQSA-N -1 3 389.861 2.174 20 5 GEBDHM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330795134 532827372 /nfs/dbraw/zinc/82/73/72/532827372.db2.gz WPYKQRJOWNDULC-ZYHUDNBSSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCCCC2)c(Br)c1 ZINC000331345862 532838185 /nfs/dbraw/zinc/83/81/85/532838185.db2.gz QWTGDXSECZMYOA-UHFFFAOYSA-N -1 3 392.275 2.122 20 5 GEBDHM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000057012789 210892591 /nfs/dbraw/zinc/89/25/91/210892591.db2.gz SYAPVVCBZDQFNQ-OAHLLOKOSA-N -1 3 392.433 2.356 20 5 GEBDHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416365536 532872085 /nfs/dbraw/zinc/87/20/85/532872085.db2.gz AXMWTWQKFFBJQA-UHFFFAOYSA-N -1 3 384.332 2.234 20 5 GEBDHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416402055 532876043 /nfs/dbraw/zinc/87/60/43/532876043.db2.gz VYZMUMFFGGQQNB-UHFFFAOYSA-N -1 3 384.332 2.234 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1C1CC1 ZINC000416436900 532877165 /nfs/dbraw/zinc/87/71/65/532877165.db2.gz FEAYZOKMOHVCNC-GXFFZTMASA-N -1 3 380.344 2.459 20 5 GEBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@](C)=O ZINC000416433258 532877029 /nfs/dbraw/zinc/87/70/29/532877029.db2.gz ODSRHGLOLPCBNJ-FHOATMSYSA-N -1 3 388.389 2.049 20 5 GEBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@@](C)=O ZINC000416433261 532877064 /nfs/dbraw/zinc/87/70/64/532877064.db2.gz ODSRHGLOLPCBNJ-OTHYDSGKSA-N -1 3 388.389 2.049 20 5 GEBDHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000276898142 532903022 /nfs/dbraw/zinc/90/30/22/532903022.db2.gz VGVBLCDPCCNFME-NSHDSACASA-N -1 3 381.248 2.043 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])cc1Br ZINC000738151158 598832741 /nfs/dbraw/zinc/83/27/41/598832741.db2.gz NUSOWYZBJPJRPJ-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])cc1Br ZINC000738151158 598832744 /nfs/dbraw/zinc/83/27/44/598832744.db2.gz NUSOWYZBJPJRPJ-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736144013 598915672 /nfs/dbraw/zinc/91/56/72/598915672.db2.gz XAERLBURXGHIDB-INIZCTEOSA-N -1 3 376.323 2.373 20 5 GEBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736144013 598915673 /nfs/dbraw/zinc/91/56/73/598915673.db2.gz XAERLBURXGHIDB-INIZCTEOSA-N -1 3 376.323 2.373 20 5 GEBDHM COc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2OC)c([N+](=O)[O-])c1 ZINC000737110631 598938932 /nfs/dbraw/zinc/93/89/32/598938932.db2.gz BIHPAZUXYAPQNB-UHFFFAOYSA-N -1 3 387.352 2.250 20 5 GEBDHM COc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2OC)c([N+](=O)[O-])c1 ZINC000737110631 598938934 /nfs/dbraw/zinc/93/89/34/598938934.db2.gz BIHPAZUXYAPQNB-UHFFFAOYSA-N -1 3 387.352 2.250 20 5 GEBDHM C[C@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736201376 598943951 /nfs/dbraw/zinc/94/39/51/598943951.db2.gz DKTAAECSXZKHKB-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736201376 598943953 /nfs/dbraw/zinc/94/39/53/598943953.db2.gz DKTAAECSXZKHKB-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3ccc(Cl)cc3)no2)c(-c2nnn[n-]2)c1 ZINC000738373796 599059669 /nfs/dbraw/zinc/05/96/69/599059669.db2.gz HAIDYFMEXBAKKM-UHFFFAOYSA-N -1 3 399.758 2.485 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3ccc(Cl)cc3)no2)c(-c2nn[n-]n2)c1 ZINC000738373796 599059672 /nfs/dbraw/zinc/05/96/72/599059672.db2.gz HAIDYFMEXBAKKM-UHFFFAOYSA-N -1 3 399.758 2.485 20 5 GEBDHM C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820327037 599139163 /nfs/dbraw/zinc/13/91/63/599139163.db2.gz DKHMVBLQHHDIAY-LBPRGKRZSA-N -1 3 381.396 2.089 20 5 GEBDHM C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820327037 599139165 /nfs/dbraw/zinc/13/91/65/599139165.db2.gz DKHMVBLQHHDIAY-LBPRGKRZSA-N -1 3 381.396 2.089 20 5 GEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737003164 599185326 /nfs/dbraw/zinc/18/53/26/599185326.db2.gz VJLGNIKDQRAHMI-UHFFFAOYSA-N -1 3 396.407 2.372 20 5 GEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737003164 599185328 /nfs/dbraw/zinc/18/53/28/599185328.db2.gz VJLGNIKDQRAHMI-UHFFFAOYSA-N -1 3 396.407 2.372 20 5 GEBDHM COCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989145 599204653 /nfs/dbraw/zinc/20/46/53/599204653.db2.gz VYOSAWKOOATGOH-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM COCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989145 599204656 /nfs/dbraw/zinc/20/46/56/599204656.db2.gz VYOSAWKOOATGOH-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823323200 607314682 /nfs/dbraw/zinc/31/46/82/607314682.db2.gz GLRSHZPKVDCNSO-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823323200 607314683 /nfs/dbraw/zinc/31/46/83/607314683.db2.gz GLRSHZPKVDCNSO-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](CO)Cc3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000738367928 599266623 /nfs/dbraw/zinc/26/66/23/599266623.db2.gz XDIBRDARHHSRKO-NSHDSACASA-N -1 3 395.379 2.179 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](CO)Cc3ccco3)cc(-c3nn[n-]n3)c2c1 ZINC000738367928 599266625 /nfs/dbraw/zinc/26/66/25/599266625.db2.gz XDIBRDARHHSRKO-NSHDSACASA-N -1 3 395.379 2.179 20 5 GEBDHM O=[N+]([O-])c1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)ccc1-c1nnn[n-]1 ZINC000823634682 607348273 /nfs/dbraw/zinc/34/82/73/607348273.db2.gz JWMSMXZPLJTNCZ-HNNXBMFYSA-N -1 3 388.428 2.329 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738100308 598306694 /nfs/dbraw/zinc/30/66/94/598306694.db2.gz NFJYBHXWSYPKHU-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738100308 598306696 /nfs/dbraw/zinc/30/66/96/598306696.db2.gz NFJYBHXWSYPKHU-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000738368593 598387488 /nfs/dbraw/zinc/38/74/88/598387488.db2.gz FLMRAYLASIJZGC-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000738368593 598387489 /nfs/dbraw/zinc/38/74/89/598387489.db2.gz FLMRAYLASIJZGC-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000738370118 598391786 /nfs/dbraw/zinc/39/17/86/598391786.db2.gz QAWKFGMZKJIAKO-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000738370118 598391787 /nfs/dbraw/zinc/39/17/87/598391787.db2.gz QAWKFGMZKJIAKO-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738369716 598458065 /nfs/dbraw/zinc/45/80/65/598458065.db2.gz MYKFRCJJIHXOOZ-AWEZNQCLSA-N -1 3 389.322 2.026 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738369716 598458067 /nfs/dbraw/zinc/45/80/67/598458067.db2.gz MYKFRCJJIHXOOZ-AWEZNQCLSA-N -1 3 389.322 2.026 20 5 GEBDHM O=C1[C@H](Sc2cc(-c3nnn[n-]3)ccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295598 598582875 /nfs/dbraw/zinc/58/28/75/598582875.db2.gz ISMNYTMXOWURPH-CYBMUJFWSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C1[C@H](Sc2cc(-c3nn[n-]n3)ccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295598 598582877 /nfs/dbraw/zinc/58/28/77/598582877.db2.gz ISMNYTMXOWURPH-CYBMUJFWSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738232964 598708390 /nfs/dbraw/zinc/70/83/90/598708390.db2.gz YPSFJQVACYTDGR-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738232964 598708392 /nfs/dbraw/zinc/70/83/92/598708392.db2.gz YPSFJQVACYTDGR-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000736842747 598775972 /nfs/dbraw/zinc/77/59/72/598775972.db2.gz WOCPEDHBTSGGJE-HNNXBMFYSA-N -1 3 397.370 2.156 20 5 GEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000736842747 598775974 /nfs/dbraw/zinc/77/59/74/598775974.db2.gz WOCPEDHBTSGGJE-HNNXBMFYSA-N -1 3 397.370 2.156 20 5 GEBDHM CCOC(=O)c1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000736603864 599307163 /nfs/dbraw/zinc/30/71/63/599307163.db2.gz SUFQZVGPPSZCAX-UHFFFAOYSA-N -1 3 396.363 2.228 20 5 GEBDHM CCOC(=O)c1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000736603864 599307167 /nfs/dbraw/zinc/30/71/67/599307167.db2.gz SUFQZVGPPSZCAX-UHFFFAOYSA-N -1 3 396.363 2.228 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000823630075 599379415 /nfs/dbraw/zinc/37/94/15/599379415.db2.gz QQNGCZNGAPJMAC-KRWDZBQOSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000823630075 599379418 /nfs/dbraw/zinc/37/94/18/599379418.db2.gz QQNGCZNGAPJMAC-KRWDZBQOSA-N -1 3 395.423 2.260 20 5 GEBDHM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826415874 607372027 /nfs/dbraw/zinc/37/20/27/607372027.db2.gz WOISSUPHIAERRG-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826415874 607372028 /nfs/dbraw/zinc/37/20/28/607372028.db2.gz WOISSUPHIAERRG-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820364640 599479142 /nfs/dbraw/zinc/47/91/42/599479142.db2.gz CNHKGPFNULOLBT-LBPRGKRZSA-N -1 3 396.411 2.247 20 5 GEBDHM C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820364640 599479144 /nfs/dbraw/zinc/47/91/44/599479144.db2.gz CNHKGPFNULOLBT-LBPRGKRZSA-N -1 3 396.411 2.247 20 5 GEBDHM COCCOCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821691940 599510896 /nfs/dbraw/zinc/51/08/96/599510896.db2.gz KHGIMNDYTZPCBI-UHFFFAOYSA-N -1 3 387.400 2.178 20 5 GEBDHM COCCOCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821691940 599510898 /nfs/dbraw/zinc/51/08/98/599510898.db2.gz KHGIMNDYTZPCBI-UHFFFAOYSA-N -1 3 387.400 2.178 20 5 GEBDHM COC(=O)c1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000821667008 599520343 /nfs/dbraw/zinc/52/03/43/599520343.db2.gz PUUZHAGAVGYLHH-SNVBAGLBSA-N -1 3 396.363 2.053 20 5 GEBDHM COC(=O)c1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000821667008 599520345 /nfs/dbraw/zinc/52/03/45/599520345.db2.gz PUUZHAGAVGYLHH-SNVBAGLBSA-N -1 3 396.363 2.053 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](n4ccnc4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645509 599525168 /nfs/dbraw/zinc/52/51/68/599525168.db2.gz RYQMXZYMCUWFNH-ZDUSSCGKSA-N -1 3 391.395 2.361 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](n4ccnc4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645509 599525171 /nfs/dbraw/zinc/52/51/71/599525171.db2.gz RYQMXZYMCUWFNH-ZDUSSCGKSA-N -1 3 391.395 2.361 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](n4ccnc4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645508 599525660 /nfs/dbraw/zinc/52/56/60/599525660.db2.gz RYQMXZYMCUWFNH-CYBMUJFWSA-N -1 3 391.395 2.361 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](n4ccnc4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645508 599525661 /nfs/dbraw/zinc/52/56/61/599525661.db2.gz RYQMXZYMCUWFNH-CYBMUJFWSA-N -1 3 391.395 2.361 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000821741691 607413477 /nfs/dbraw/zinc/41/34/77/607413477.db2.gz QBVDIRMHQJSXOG-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000821741691 607413478 /nfs/dbraw/zinc/41/34/78/607413478.db2.gz QBVDIRMHQJSXOG-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM COCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157021 607431520 /nfs/dbraw/zinc/43/15/20/607431520.db2.gz FCHGEVJRBHSJOM-UHFFFAOYSA-N -1 3 396.407 2.305 20 5 GEBDHM COCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157021 607431521 /nfs/dbraw/zinc/43/15/21/607431521.db2.gz FCHGEVJRBHSJOM-UHFFFAOYSA-N -1 3 396.407 2.305 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825834577 607441096 /nfs/dbraw/zinc/44/10/96/607441096.db2.gz ZLJGEFYJUXVBSH-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825834577 607441098 /nfs/dbraw/zinc/44/10/98/607441098.db2.gz ZLJGEFYJUXVBSH-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM COc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1OC ZINC000826176779 607442898 /nfs/dbraw/zinc/44/28/98/607442898.db2.gz CZDFCKHFIFKNQF-UHFFFAOYSA-N -1 3 384.352 2.069 20 5 GEBDHM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000826176779 607442900 /nfs/dbraw/zinc/44/29/00/607442900.db2.gz CZDFCKHFIFKNQF-UHFFFAOYSA-N -1 3 384.352 2.069 20 5 GEBDHM O=C1[C@@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513117 607466620 /nfs/dbraw/zinc/46/66/20/607466620.db2.gz SXBFKMGRQVWKTI-JTQLQIEISA-N -1 3 389.422 2.129 20 5 GEBDHM O=C1[C@@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513117 607466621 /nfs/dbraw/zinc/46/66/21/607466621.db2.gz SXBFKMGRQVWKTI-JTQLQIEISA-N -1 3 389.422 2.129 20 5 GEBDHM O=C([O-])CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000833236093 601052361 /nfs/dbraw/zinc/05/23/61/601052361.db2.gz KPAAYZXTXMRMDD-UHFFFAOYSA-N -1 3 376.369 2.101 20 5 GEBDHM O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCN(Cc2ccccc2)C1 ZINC000833128507 601741545 /nfs/dbraw/zinc/74/15/45/601741545.db2.gz IGNUJLDSPGGMFB-HXUWFJFHSA-N -1 3 383.404 2.444 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000826176387 607537590 /nfs/dbraw/zinc/53/75/90/607537590.db2.gz NBDXLOFRXMTYAX-UHFFFAOYSA-N -1 3 399.363 2.444 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000826176387 607537591 /nfs/dbraw/zinc/53/75/91/607537591.db2.gz NBDXLOFRXMTYAX-UHFFFAOYSA-N -1 3 399.363 2.444 20 5 GEBDHM COc1ccc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1-c1nnn[n-]1 ZINC000826208431 607546073 /nfs/dbraw/zinc/54/60/73/607546073.db2.gz KHBKUHRPUFFIHN-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM COc1ccc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1-c1nn[n-]n1 ZINC000826208431 607546074 /nfs/dbraw/zinc/54/60/74/607546074.db2.gz KHBKUHRPUFFIHN-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000739100783 602432100 /nfs/dbraw/zinc/43/21/00/602432100.db2.gz PHYNJZLKIYTWBT-UGSOOPFHSA-N -1 3 378.429 2.364 20 5 GEBDHM C[C@@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CNC(=O)[O-] ZINC000825926348 603709550 /nfs/dbraw/zinc/70/95/50/603709550.db2.gz WNGAOAKVDBZUSE-IUODEOHRSA-N -1 3 392.412 2.261 20 5 GEBDHM C[C@H](C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833406403 605380658 /nfs/dbraw/zinc/38/06/58/605380658.db2.gz DLHBFIDAMMHHFH-SUMWQHHRSA-N -1 3 392.433 2.420 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000833907164 605547907 /nfs/dbraw/zinc/54/79/07/605547907.db2.gz CEHLPJGWOOJROQ-UONOGXRCSA-N -1 3 378.429 2.060 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508685 606341020 /nfs/dbraw/zinc/34/10/20/606341020.db2.gz VEOJNHOYDHGMFH-VIFPVBQESA-N -1 3 383.320 2.422 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508685 606341022 /nfs/dbraw/zinc/34/10/22/606341022.db2.gz VEOJNHOYDHGMFH-VIFPVBQESA-N -1 3 383.320 2.422 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648759 606373687 /nfs/dbraw/zinc/37/36/87/606373687.db2.gz RRCGARASHMPPGX-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648759 606373689 /nfs/dbraw/zinc/37/36/89/606373689.db2.gz RRCGARASHMPPGX-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647115 606430012 /nfs/dbraw/zinc/43/00/12/606430012.db2.gz GCKZXMPFDIRANF-MRXNPFEDSA-N -1 3 395.423 2.398 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647115 606430015 /nfs/dbraw/zinc/43/00/15/606430015.db2.gz GCKZXMPFDIRANF-MRXNPFEDSA-N -1 3 395.423 2.398 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000822203094 606561479 /nfs/dbraw/zinc/56/14/79/606561479.db2.gz DLVRDEROIVFZJW-UHFFFAOYSA-N -1 3 387.327 2.458 20 5 GEBDHM COC(=O)c1cc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)ccc1OC ZINC000821666733 606644838 /nfs/dbraw/zinc/64/48/38/606644838.db2.gz BMGJUQNBXMGRSC-UHFFFAOYSA-N -1 3 384.352 2.182 20 5 GEBDHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000823154513 606645340 /nfs/dbraw/zinc/64/53/40/606645340.db2.gz DQWIYEIGQHOVPQ-UHFFFAOYSA-N -1 3 393.407 2.174 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822983243 606754270 /nfs/dbraw/zinc/75/42/70/606754270.db2.gz NMADYQDTOISWBG-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822983243 606754272 /nfs/dbraw/zinc/75/42/72/606754272.db2.gz NMADYQDTOISWBG-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000823422389 606797405 /nfs/dbraw/zinc/79/74/05/606797405.db2.gz TUFOFVDDWKDJJC-UHFFFAOYSA-N -1 3 392.278 2.128 20 5 GEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000823422389 606797407 /nfs/dbraw/zinc/79/74/07/606797407.db2.gz TUFOFVDDWKDJJC-UHFFFAOYSA-N -1 3 392.278 2.128 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000823639738 606801543 /nfs/dbraw/zinc/80/15/43/606801543.db2.gz GRUZHXXPVVTHGY-UHFFFAOYSA-N -1 3 376.720 2.344 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000823639738 606801545 /nfs/dbraw/zinc/80/15/45/606801545.db2.gz GRUZHXXPVVTHGY-UHFFFAOYSA-N -1 3 376.720 2.344 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000820549962 606823506 /nfs/dbraw/zinc/82/35/06/606823506.db2.gz UCSAKTVTFDNOCK-GFCCVEGCSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000820549962 606823507 /nfs/dbraw/zinc/82/35/07/606823507.db2.gz UCSAKTVTFDNOCK-GFCCVEGCSA-N -1 3 383.364 2.328 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823635477 606856797 /nfs/dbraw/zinc/85/67/97/606856797.db2.gz XPMYVPJZPKBSQA-INIZCTEOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823635477 606856799 /nfs/dbraw/zinc/85/67/99/606856799.db2.gz XPMYVPJZPKBSQA-INIZCTEOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823630002 606877209 /nfs/dbraw/zinc/87/72/09/606877209.db2.gz PDRRYXLTSJESGF-YJBOKZPZSA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823630002 606877210 /nfs/dbraw/zinc/87/72/10/606877210.db2.gz PDRRYXLTSJESGF-YJBOKZPZSA-N -1 3 396.407 2.104 20 5 GEBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823421690 606996240 /nfs/dbraw/zinc/99/62/40/606996240.db2.gz GTBNVGSOZFVLDB-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823421690 606996242 /nfs/dbraw/zinc/99/62/42/606996242.db2.gz GTBNVGSOZFVLDB-UHFFFAOYSA-N -1 3 388.271 2.179 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821787328 606998551 /nfs/dbraw/zinc/99/85/51/606998551.db2.gz RLDUBYXGLAYKNE-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821787328 606998552 /nfs/dbraw/zinc/99/85/52/606998552.db2.gz RLDUBYXGLAYKNE-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823070737 607014631 /nfs/dbraw/zinc/01/46/31/607014631.db2.gz LREOZTVXTRZEON-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823070737 607014632 /nfs/dbraw/zinc/01/46/32/607014632.db2.gz LREOZTVXTRZEON-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823647973 607143660 /nfs/dbraw/zinc/14/36/60/607143660.db2.gz QUUOSTRSLDFCFM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823647973 607143662 /nfs/dbraw/zinc/14/36/62/607143662.db2.gz QUUOSTRSLDFCFM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM Cc1nn(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000822501027 607191761 /nfs/dbraw/zinc/19/17/61/607191761.db2.gz RQOFOQCWVBCSPY-UHFFFAOYSA-N -1 3 390.791 2.270 20 5 GEBDHM Cc1nn(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000822501027 607191762 /nfs/dbraw/zinc/19/17/62/607191762.db2.gz RQOFOQCWVBCSPY-UHFFFAOYSA-N -1 3 390.791 2.270 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000823319081 607243184 /nfs/dbraw/zinc/24/31/84/607243184.db2.gz QIWJXYRRVPPALF-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000823319081 607243185 /nfs/dbraw/zinc/24/31/85/607243185.db2.gz QIWJXYRRVPPALF-UHFFFAOYSA-N -1 3 388.727 2.409 20 5 GEBDHM CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371513 607798414 /nfs/dbraw/zinc/79/84/14/607798414.db2.gz HMKBSOWDYSSKOY-UHFFFAOYSA-N -1 3 384.400 2.031 20 5 GEBDHM CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371513 607798415 /nfs/dbraw/zinc/79/84/15/607798415.db2.gz HMKBSOWDYSSKOY-UHFFFAOYSA-N -1 3 384.400 2.031 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cc(I)c1OCC1CC1 ZINC000826497938 607863177 /nfs/dbraw/zinc/86/31/77/607863177.db2.gz ZROVYTBYNWJJBE-UHFFFAOYSA-N -1 3 387.137 2.168 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cc(I)c1OCC1CC1 ZINC000826497938 607863178 /nfs/dbraw/zinc/86/31/78/607863178.db2.gz ZROVYTBYNWJJBE-UHFFFAOYSA-N -1 3 387.137 2.168 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC000826272465 607866703 /nfs/dbraw/zinc/86/67/03/607866703.db2.gz KVVHGBFAWIREJH-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC000826272465 607866704 /nfs/dbraw/zinc/86/67/04/607866704.db2.gz KVVHGBFAWIREJH-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000826242888 607874125 /nfs/dbraw/zinc/87/41/25/607874125.db2.gz KVSZUURMQJELFQ-OAHLLOKOSA-N -1 3 385.380 2.210 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498114 607874184 /nfs/dbraw/zinc/87/41/84/607874184.db2.gz HWVFVQHBATTWAL-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000826499561 607876651 /nfs/dbraw/zinc/87/66/51/607876651.db2.gz NLNHIHDNPOSWLP-NSHDSACASA-N -1 3 396.363 2.075 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000826499561 607876652 /nfs/dbraw/zinc/87/66/52/607876652.db2.gz NLNHIHDNPOSWLP-NSHDSACASA-N -1 3 396.363 2.075 20 5 GEBDHM Cn1ccnc1[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826364422 607904872 /nfs/dbraw/zinc/90/48/72/607904872.db2.gz WBIQGJBUYKNLTP-LLVKDONJSA-N -1 3 391.395 2.051 20 5 GEBDHM Cn1ccnc1[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826364422 607904873 /nfs/dbraw/zinc/90/48/73/607904873.db2.gz WBIQGJBUYKNLTP-LLVKDONJSA-N -1 3 391.395 2.051 20 5 GEBDHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824046484 607942707 /nfs/dbraw/zinc/94/27/07/607942707.db2.gz SLALHHCQRJLUJV-GFCCVEGCSA-N -1 3 393.407 2.160 20 5 GEBDHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824046484 607942708 /nfs/dbraw/zinc/94/27/08/607942708.db2.gz SLALHHCQRJLUJV-GFCCVEGCSA-N -1 3 393.407 2.160 20 5 GEBDHM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469555 607948337 /nfs/dbraw/zinc/94/83/37/607948337.db2.gz KNHNZUMBIAJJDU-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469555 607948338 /nfs/dbraw/zinc/94/83/38/607948338.db2.gz KNHNZUMBIAJJDU-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826401593 608002738 /nfs/dbraw/zinc/00/27/38/608002738.db2.gz BXYDSVFNFIHARC-YVMONPNESA-N -1 3 376.336 2.303 20 5 GEBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826401593 608002739 /nfs/dbraw/zinc/00/27/39/608002739.db2.gz BXYDSVFNFIHARC-YVMONPNESA-N -1 3 376.336 2.303 20 5 GEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826457166 608049806 /nfs/dbraw/zinc/04/98/06/608049806.db2.gz OFPBXWOIEWOOBU-MRXNPFEDSA-N -1 3 395.379 2.380 20 5 GEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826457166 608049807 /nfs/dbraw/zinc/04/98/07/608049807.db2.gz OFPBXWOIEWOOBU-MRXNPFEDSA-N -1 3 395.379 2.380 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826499609 608071274 /nfs/dbraw/zinc/07/12/74/608071274.db2.gz PLSJVNYZZJFMJQ-KRWDZBQOSA-N -1 3 384.371 2.488 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826499609 608071275 /nfs/dbraw/zinc/07/12/75/608071275.db2.gz PLSJVNYZZJFMJQ-KRWDZBQOSA-N -1 3 384.371 2.488 20 5 GEBDHM Cc1c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cccc1[N+](=O)[O-] ZINC000826234377 608082784 /nfs/dbraw/zinc/08/27/84/608082784.db2.gz SOHXGPFHEXRXEC-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826234377 608082785 /nfs/dbraw/zinc/08/27/85/608082785.db2.gz SOHXGPFHEXRXEC-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM COc1ccc(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000826191347 608099634 /nfs/dbraw/zinc/09/96/34/608099634.db2.gz DEVUJSCLXBKTRR-LLVKDONJSA-N -1 3 399.411 2.478 20 5 GEBDHM COc1ccc(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000826191347 608099635 /nfs/dbraw/zinc/09/96/35/608099635.db2.gz DEVUJSCLXBKTRR-LLVKDONJSA-N -1 3 399.411 2.478 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2cccnc2OCC(F)F)c(-c2nnn[n-]2)c1 ZINC000826498989 608150962 /nfs/dbraw/zinc/15/09/62/608150962.db2.gz QYZLNVXIBHLCTP-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2cccnc2OCC(F)F)c(-c2nn[n-]n2)c1 ZINC000826498989 608150963 /nfs/dbraw/zinc/15/09/63/608150963.db2.gz QYZLNVXIBHLCTP-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000824045291 608160287 /nfs/dbraw/zinc/16/02/87/608160287.db2.gz KUCDXZZTAQCAOG-QMMMGPOBSA-N -1 3 380.792 2.430 20 5 GEBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000824045291 608160288 /nfs/dbraw/zinc/16/02/88/608160288.db2.gz KUCDXZZTAQCAOG-QMMMGPOBSA-N -1 3 380.792 2.430 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2nccn2c1 ZINC000826451179 608162106 /nfs/dbraw/zinc/16/21/06/608162106.db2.gz UHWBHPMHMHOKBH-UHFFFAOYSA-N -1 3 384.743 2.328 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2nccn2c1 ZINC000826451179 608162107 /nfs/dbraw/zinc/16/21/07/608162107.db2.gz UHWBHPMHMHOKBH-UHFFFAOYSA-N -1 3 384.743 2.328 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cnc2n1CCCC2 ZINC000826451204 608162365 /nfs/dbraw/zinc/16/23/65/608162365.db2.gz VSJFHHJEAVDDNO-UHFFFAOYSA-N -1 3 388.775 2.213 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cnc2n1CCCC2 ZINC000826451204 608162366 /nfs/dbraw/zinc/16/23/66/608162366.db2.gz VSJFHHJEAVDDNO-UHFFFAOYSA-N -1 3 388.775 2.213 20 5 GEBDHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826187399 608162868 /nfs/dbraw/zinc/16/28/68/608162868.db2.gz OLFSETQJBYMILV-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000826187399 608162869 /nfs/dbraw/zinc/16/28/69/608162869.db2.gz OLFSETQJBYMILV-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CSCCS1 ZINC000826450764 608164300 /nfs/dbraw/zinc/16/43/00/608164300.db2.gz CQORUSVKLSTSHV-SECBINFHSA-N -1 3 386.846 2.215 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CSCCS1 ZINC000826450764 608164301 /nfs/dbraw/zinc/16/43/01/608164301.db2.gz CQORUSVKLSTSHV-SECBINFHSA-N -1 3 386.846 2.215 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824723831 608183446 /nfs/dbraw/zinc/18/34/46/608183446.db2.gz VAFWKMOAPHXXEX-VIFPVBQESA-N -1 3 383.320 2.422 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824723831 608183448 /nfs/dbraw/zinc/18/34/48/608183448.db2.gz VAFWKMOAPHXXEX-VIFPVBQESA-N -1 3 383.320 2.422 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC3CCC4(CC3)OCCO4)cc(-c3nnn[n-]3)c2c1 ZINC000826499750 608370552 /nfs/dbraw/zinc/37/05/52/608370552.db2.gz VPPFKTLGNFLOOM-UHFFFAOYSA-N -1 3 397.395 2.421 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC3CCC4(CC3)OCCO4)cc(-c3nn[n-]n3)c2c1 ZINC000826499750 608370554 /nfs/dbraw/zinc/37/05/54/608370554.db2.gz VPPFKTLGNFLOOM-UHFFFAOYSA-N -1 3 397.395 2.421 20 5 GEBDHM C[C@@H](N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553843 608391893 /nfs/dbraw/zinc/39/18/93/608391893.db2.gz IUYMPYOZBFQMEQ-MFKMUULPSA-N -1 3 399.436 2.293 20 5 GEBDHM C[C@@H](N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553843 608391894 /nfs/dbraw/zinc/39/18/94/608391894.db2.gz IUYMPYOZBFQMEQ-MFKMUULPSA-N -1 3 399.436 2.293 20 5 GEBDHM Cc1ccnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000826314935 608410337 /nfs/dbraw/zinc/41/03/37/608410337.db2.gz SEQGIBFBYIJWDV-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cc1ccnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000826314935 608410338 /nfs/dbraw/zinc/41/03/38/608410338.db2.gz SEQGIBFBYIJWDV-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM NC(=O)c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826393287 608442685 /nfs/dbraw/zinc/44/26/85/608442685.db2.gz LMWPWTWSZKLXDY-UHFFFAOYSA-N -1 3 391.391 2.168 20 5 GEBDHM NC(=O)c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826393287 608442687 /nfs/dbraw/zinc/44/26/87/608442687.db2.gz LMWPWTWSZKLXDY-UHFFFAOYSA-N -1 3 391.391 2.168 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826418217 608445207 /nfs/dbraw/zinc/44/52/07/608445207.db2.gz VXDVHYKKFBZWMM-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826418217 608445209 /nfs/dbraw/zinc/44/52/09/608445209.db2.gz VXDVHYKKFBZWMM-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000826498757 608558958 /nfs/dbraw/zinc/55/89/58/608558958.db2.gz INDNMLFMCFANPX-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000826498757 608558960 /nfs/dbraw/zinc/55/89/60/608558960.db2.gz INDNMLFMCFANPX-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824296730 609209947 /nfs/dbraw/zinc/20/99/47/609209947.db2.gz KNYHQCCKNSHQRG-QGZVFWFLSA-N -1 3 396.407 2.246 20 5 GEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824296730 609209949 /nfs/dbraw/zinc/20/99/49/609209949.db2.gz KNYHQCCKNSHQRG-QGZVFWFLSA-N -1 3 396.407 2.246 20 5 GEBDHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccccc1[N+](=O)[O-] ZINC000826459030 609288286 /nfs/dbraw/zinc/28/82/86/609288286.db2.gz RQCXKXYXINPUIY-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826483427 609303612 /nfs/dbraw/zinc/30/36/12/609303612.db2.gz NHFZVDADMMWYBF-AUWJEWJLSA-N -1 3 380.295 2.259 20 5 GEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826483427 609303615 /nfs/dbraw/zinc/30/36/15/609303615.db2.gz NHFZVDADMMWYBF-AUWJEWJLSA-N -1 3 380.295 2.259 20 5 GEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000826439088 609350659 /nfs/dbraw/zinc/35/06/59/609350659.db2.gz DUWULJNZRWVRQF-UHFFFAOYSA-N -1 3 378.801 2.462 20 5 GEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000826439088 609350660 /nfs/dbraw/zinc/35/06/60/609350660.db2.gz DUWULJNZRWVRQF-UHFFFAOYSA-N -1 3 378.801 2.462 20 5 GEBDHM CCCn1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000825356681 609396978 /nfs/dbraw/zinc/39/69/78/609396978.db2.gz DTQHSXCWTKJPGF-UHFFFAOYSA-N -1 3 376.764 2.287 20 5 GEBDHM CCCn1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000825356681 609396980 /nfs/dbraw/zinc/39/69/80/609396980.db2.gz DTQHSXCWTKJPGF-UHFFFAOYSA-N -1 3 376.764 2.287 20 5 GEBDHM Cc1cc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826271629 609577207 /nfs/dbraw/zinc/57/72/07/609577207.db2.gz ZNQNUXOTOUPSJJ-CQSZACIVSA-N -1 3 394.395 2.086 20 5 GEBDHM Cc1cc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826271629 609577210 /nfs/dbraw/zinc/57/72/10/609577210.db2.gz ZNQNUXOTOUPSJJ-CQSZACIVSA-N -1 3 394.395 2.086 20 5 GEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465093 609635693 /nfs/dbraw/zinc/63/56/93/609635693.db2.gz YOPTWJNVLUBSHK-AWEZNQCLSA-N -1 3 389.755 2.205 20 5 GEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465093 609635694 /nfs/dbraw/zinc/63/56/94/609635694.db2.gz YOPTWJNVLUBSHK-AWEZNQCLSA-N -1 3 389.755 2.205 20 5 GEBDHM CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000451769909 650140725 /nfs/dbraw/zinc/14/07/25/650140725.db2.gz BNBWLQFEWXFFMW-UHFFFAOYSA-N -1 3 389.861 2.318 20 5 GEBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000482128396 650660620 /nfs/dbraw/zinc/66/06/20/650660620.db2.gz HCDABOFWUKJMOA-UHFFFAOYSA-N -1 3 375.756 2.021 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000121768749 643639760 /nfs/dbraw/zinc/63/97/60/643639760.db2.gz HCBJOPFTJKZLRS-GXSJLCMTSA-N -1 3 393.259 2.187 20 5 GEBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000128765623 643810411 /nfs/dbraw/zinc/81/04/11/643810411.db2.gz YFZAOGDRVCCVAR-SECBINFHSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1cc(Br)ccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000130562207 643843445 /nfs/dbraw/zinc/84/34/45/643843445.db2.gz YECHIYMTURVVNM-UHFFFAOYSA-N -1 3 387.215 2.366 20 5 GEBDHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158412955 644143659 /nfs/dbraw/zinc/14/36/59/644143659.db2.gz WGFFWKBUGNGPAF-VIFPVBQESA-N -1 3 381.248 2.043 20 5 GEBDHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000545368385 650971749 /nfs/dbraw/zinc/97/17/49/650971749.db2.gz OQWUPDTVVNBTJW-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253602785 645571077 /nfs/dbraw/zinc/57/10/77/645571077.db2.gz FNNBDGBQSWDVGR-TXEJJXNPSA-N -1 3 391.877 2.026 20 5 GEBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000268305652 645957428 /nfs/dbraw/zinc/95/74/28/645957428.db2.gz XZNXEHUAOPTIKN-UHFFFAOYSA-N -1 3 379.225 2.422 20 5 GEBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271300312 646188014 /nfs/dbraw/zinc/18/80/14/646188014.db2.gz VVBDWHMTLAEOEJ-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccnc1 ZINC000364565809 647636152 /nfs/dbraw/zinc/63/61/52/647636152.db2.gz DTZNSJHVUSSJOU-WFASDCNBSA-N -1 3 382.467 2.023 20 5 GEBDHM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416426044 648124299 /nfs/dbraw/zinc/12/42/99/648124299.db2.gz HGNOLCVTASEFJS-MRVPVSSYSA-N -1 3 384.332 2.091 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000416471483 648137165 /nfs/dbraw/zinc/13/71/65/648137165.db2.gz KNRWJGVAWKQZNJ-HOSYDEDBSA-N -1 3 380.344 2.459 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC000416476149 648139574 /nfs/dbraw/zinc/13/95/74/648139574.db2.gz XAHGBOXBRMZERN-MWLCHTKSSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486157 648144512 /nfs/dbraw/zinc/14/45/12/648144512.db2.gz DGYUAOAINSIOGG-RNCFNFMXSA-N -1 3 382.360 2.443 20 5 GEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(O)CCOCC1 ZINC000416671204 648207716 /nfs/dbraw/zinc/20/77/16/648207716.db2.gz VRYGAXHDLNWSFA-UHFFFAOYSA-N -1 3 392.861 2.094 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000611106989 651707490 /nfs/dbraw/zinc/70/74/90/651707490.db2.gz LCFANHSCCJZDKY-VIFPVBQESA-N -1 3 379.360 2.129 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(I)ccc1[O-] ZINC000611156418 651711326 /nfs/dbraw/zinc/71/13/26/651711326.db2.gz GQIFFRZSWOJIPP-UHFFFAOYSA-N -1 3 387.133 2.496 20 5 GEBDHM CCOC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc([N+](=O)[O-])c1C ZINC000619502977 652062318 /nfs/dbraw/zinc/06/23/18/652062318.db2.gz LTSROCOCVNZPAL-UHFFFAOYSA-N -1 3 380.369 2.402 20 5 GEBDHM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000751223817 652332637 /nfs/dbraw/zinc/33/26/37/652332637.db2.gz NVBQWGYEHHFTGV-ZDUSSCGKSA-N -1 3 386.813 2.269 20 5 GEBDHM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000751277219 652337564 /nfs/dbraw/zinc/33/75/64/652337564.db2.gz QXWLEHLSTRBKSO-SNVBAGLBSA-N -1 3 381.248 2.043 20 5 GEBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c(C)o1 ZINC000751738579 652365765 /nfs/dbraw/zinc/36/57/65/652365765.db2.gz FBKXZRBAQFKUKV-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000580204776 652370720 /nfs/dbraw/zinc/37/07/20/652370720.db2.gz DHOBTGOUAURTHZ-SKDRFNHKSA-N -1 3 395.275 2.433 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC1CCCC1 ZINC000751975223 652373871 /nfs/dbraw/zinc/37/38/71/652373871.db2.gz CELBSXPJOQNLEF-VIFPVBQESA-N -1 3 376.818 2.401 20 5 GEBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC000752252351 652382723 /nfs/dbraw/zinc/38/27/23/652382723.db2.gz VEGQJVNUQQMXKA-SNVBAGLBSA-N -1 3 376.740 2.412 20 5 GEBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000759168304 652565519 /nfs/dbraw/zinc/56/55/19/652565519.db2.gz PGDWGSJWSCJBNG-UHFFFAOYSA-N -1 3 391.178 2.197 20 5 GEBDHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000759792349 652586578 /nfs/dbraw/zinc/58/65/78/652586578.db2.gz HGQSNCRFHXCHMW-NXEZZACHSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000759792351 652586711 /nfs/dbraw/zinc/58/67/11/652586711.db2.gz HGQSNCRFHXCHMW-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000760852059 652626133 /nfs/dbraw/zinc/62/61/33/652626133.db2.gz CAAWUEKEBCKEOJ-UHFFFAOYSA-N -1 3 376.188 2.132 20 5 GEBDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000594697339 652673906 /nfs/dbraw/zinc/67/39/06/652673906.db2.gz CXZPMXILQZIWNE-LLVKDONJSA-N -1 3 384.332 2.066 20 5 GEBDHM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594808622 652684800 /nfs/dbraw/zinc/68/48/00/652684800.db2.gz OHUJNRJHSJLFOZ-ZKYQVNSYSA-N -1 3 392.861 2.093 20 5 GEBDHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595392482 652719705 /nfs/dbraw/zinc/71/97/05/652719705.db2.gz NLGAHPSHLHOIHL-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825241 653302918 /nfs/dbraw/zinc/30/29/18/653302918.db2.gz CEIIVWPVRWWAHV-QPUJVOFHSA-N -1 3 377.825 2.148 20 5 GEBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC000859174470 653416711 /nfs/dbraw/zinc/41/67/11/653416711.db2.gz BXLPBDSFRAXHJT-UHFFFAOYSA-N -1 3 390.215 2.441 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c(Br)c1 ZINC000780899522 653635146 /nfs/dbraw/zinc/63/51/46/653635146.db2.gz AIDDJSSNGKLWHE-SNVBAGLBSA-N -1 3 377.216 2.328 20 5 GEBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841554436 653732243 /nfs/dbraw/zinc/73/22/43/653732243.db2.gz NJVWKHREUZXSHA-SECBINFHSA-N -1 3 381.248 2.308 20 5 GEBDHM O=C([N-]N1C(=O)c2ccc(Br)cc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000864323507 653733223 /nfs/dbraw/zinc/73/32/23/653733223.db2.gz QYHOWEBXFJSDMQ-UHFFFAOYSA-N -1 3 390.149 2.298 20 5 GEBDHM O=C([N-]N1C(=O)c2ccc(Br)cc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000864322869 653733324 /nfs/dbraw/zinc/73/33/24/653733324.db2.gz DPEDIJJZJFYGLI-UHFFFAOYSA-N -1 3 390.149 2.298 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000841567179 653735522 /nfs/dbraw/zinc/73/55/22/653735522.db2.gz SKUQKTNWXLNLHC-PELKAZGASA-N -1 3 384.788 2.384 20 5 GEBDHM CS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000787518475 653739295 /nfs/dbraw/zinc/73/92/95/653739295.db2.gz OHRUYGUNQBMYLX-UHFFFAOYSA-N -1 3 390.389 2.468 20 5 GEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)O ZINC000790902348 653800187 /nfs/dbraw/zinc/80/01/87/653800187.db2.gz TVHSKXXECLKWSO-LBPRGKRZSA-N -1 3 395.275 2.431 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000795796333 653967277 /nfs/dbraw/zinc/96/72/77/653967277.db2.gz OHRDPRBDMYLUES-RYUDHWBXSA-N -1 3 377.825 2.292 20 5 GEBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 ZINC000795865007 653972676 /nfs/dbraw/zinc/97/26/76/653972676.db2.gz AJVXGCXVGKIKFV-UHFFFAOYSA-N -1 3 388.808 2.481 20 5 GEBDHM CN(C)[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCSC1 ZINC000795872463 653973476 /nfs/dbraw/zinc/97/34/76/653973476.db2.gz HVBKJTRFAUYGAX-ZDUSSCGKSA-N -1 3 397.881 2.103 20 5 GEBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884008 653975081 /nfs/dbraw/zinc/97/50/81/653975081.db2.gz XLJAHFNULPKPQF-PRHODGIISA-N -1 3 377.825 2.148 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(OC)OC ZINC000849406295 654025190 /nfs/dbraw/zinc/02/51/90/654025190.db2.gz ZYPYQCANVRXRBI-SNVBAGLBSA-N -1 3 386.348 2.289 20 5 GEBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CO1 ZINC000849413199 654026782 /nfs/dbraw/zinc/02/67/82/654026782.db2.gz GNAIGLZXKMQZJG-MRVPVSSYSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)c1C ZINC000849459561 654040580 /nfs/dbraw/zinc/04/05/80/654040580.db2.gz OXDIOLMZHKIVGE-OCCSQVGLSA-N -1 3 376.381 2.304 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921863114 654334870 /nfs/dbraw/zinc/33/48/70/654334870.db2.gz UXHUGHFDQQIYNU-ZWNOBZJWSA-N -1 3 382.360 2.403 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856752175 654491373 /nfs/dbraw/zinc/49/13/73/654491373.db2.gz OIJWUBISXFYAIG-QMMMGPOBSA-N -1 3 397.236 2.244 20 5 GEBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000152826500 531574397 /nfs/dbraw/zinc/57/43/97/531574397.db2.gz GGYRGZDPEWFLCT-UHFFFAOYSA-N -1 3 398.750 2.442 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1 ZINC000044770684 531686740 /nfs/dbraw/zinc/68/67/40/531686740.db2.gz KVTKQQBRLOJNCX-LBPRGKRZSA-N -1 3 378.834 2.112 20 5 GEBDHM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[S@@](C)=O ZINC000163489028 531859498 /nfs/dbraw/zinc/85/94/98/531859498.db2.gz SKDKNCFONZSSKK-MEFFNOMFSA-N -1 3 388.389 2.049 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000123505170 532100784 /nfs/dbraw/zinc/10/07/84/532100784.db2.gz YHNNQXDMBPCPMR-UHFFFAOYSA-N -1 3 389.499 2.330 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000125519272 532137285 /nfs/dbraw/zinc/13/72/85/532137285.db2.gz QPBFFIZFJJFZSD-TXEJJXNPSA-N -1 3 391.515 2.132 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000178556449 532205103 /nfs/dbraw/zinc/20/51/03/532205103.db2.gz FNEFSWMIFGPXIC-UHFFFAOYSA-N -1 3 376.847 2.404 20 5 GEBDHM CC(C)(CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000178827756 532213808 /nfs/dbraw/zinc/21/38/08/532213808.db2.gz CMMBGHPYCVHEEP-UHFFFAOYSA-N -1 3 381.248 2.044 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CCOCC1 ZINC000133019280 532224919 /nfs/dbraw/zinc/22/49/19/532224919.db2.gz KESWOOLGEQMFTR-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)c1 ZINC000133962645 532246526 /nfs/dbraw/zinc/24/65/26/532246526.db2.gz YNZBTICLJNQWNP-NOZJJQNGSA-N -1 3 393.259 2.187 20 5 GEBDHM COc1ccsc1[C@@H](C)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186213849 532340050 /nfs/dbraw/zinc/34/00/50/532340050.db2.gz NSRHRUSAFWTVCK-LLVKDONJSA-N -1 3 385.467 2.294 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)cc1Br ZINC000188929807 532350314 /nfs/dbraw/zinc/35/03/14/532350314.db2.gz VTLTXZVFMRAXBC-SKDRFNHKSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1Br ZINC000190646763 532357298 /nfs/dbraw/zinc/35/72/98/532357298.db2.gz HHALCPHEFULPSR-XWIASGKRSA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000278010716 532368366 /nfs/dbraw/zinc/36/83/66/532368366.db2.gz VURIOFKXLDBOAR-QPUJVOFHSA-N -1 3 379.232 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(CO)CCC2)c(C(F)(F)F)c1 ZINC000593664069 532494767 /nfs/dbraw/zinc/49/47/67/532494767.db2.gz FDDSUVNRMNBIIH-UHFFFAOYSA-N -1 3 382.360 2.445 20 5 GEBDHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431621175 532518422 /nfs/dbraw/zinc/51/84/22/532518422.db2.gz CCDMTWFBWRMUBL-SNVBAGLBSA-N -1 3 377.850 2.079 20 5 GEBDHM COC(=O)C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000594859874 532537198 /nfs/dbraw/zinc/53/71/98/532537198.db2.gz GZILVLSCZVAVFW-SNVBAGLBSA-N -1 3 376.818 2.116 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C12CCC2 ZINC000594862400 532537411 /nfs/dbraw/zinc/53/74/11/532537411.db2.gz CSNRICPSPQFKIM-NWDGAFQWSA-N -1 3 380.344 2.195 20 5 GEBDHM COC(=O)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000594862100 532537559 /nfs/dbraw/zinc/53/75/59/532537559.db2.gz RLVHJFHYBMJULP-SNVBAGLBSA-N -1 3 376.818 2.116 20 5 GEBDHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431641158 532519581 /nfs/dbraw/zinc/51/95/81/532519581.db2.gz UHVXRHOGBKKDFC-JTQLQIEISA-N -1 3 377.850 2.079 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cnc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000594803596 532531735 /nfs/dbraw/zinc/53/17/35/532531735.db2.gz NJLWUJOIBAEOQI-UHFFFAOYSA-N -1 3 382.345 2.252 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000595354388 532559918 /nfs/dbraw/zinc/55/99/18/532559918.db2.gz UFZVPMWSIUUTHS-UHFFFAOYSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C ZINC000595382055 532561961 /nfs/dbraw/zinc/56/19/61/532561961.db2.gz BUURTJWKWFLOIR-QMMMGPOBSA-N -1 3 378.332 2.387 20 5 GEBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000433347504 532562220 /nfs/dbraw/zinc/56/22/20/532562220.db2.gz NLJSUGGPHGRZFS-UHFFFAOYSA-N -1 3 384.801 2.080 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599459119 532660256 /nfs/dbraw/zinc/66/02/56/532660256.db2.gz DFQLIUPQGGVGLQ-LOKDSWTASA-N -1 3 393.259 2.448 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)c1 ZINC000285141770 532650729 /nfs/dbraw/zinc/65/07/29/532650729.db2.gz AWACTFMAXXIXKO-CYBMUJFWSA-N -1 3 387.849 2.361 20 5 GEBDHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000534902970 532674297 /nfs/dbraw/zinc/67/42/97/532674297.db2.gz JJVYPKWABIZYGP-VIFPVBQESA-N -1 3 386.760 2.032 20 5 GEBDHM COc1ccc([C@@H](CN(C)C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000569511803 532696755 /nfs/dbraw/zinc/69/67/55/532696755.db2.gz LFKIFWOGSBFISI-CYBMUJFWSA-N -1 3 385.467 2.246 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000440670909 532720669 /nfs/dbraw/zinc/72/06/69/532720669.db2.gz GZVLHNGDIWMECH-UHFFFAOYSA-N -1 3 392.771 2.312 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000440683341 532720924 /nfs/dbraw/zinc/72/09/24/532720924.db2.gz YCURGJOXWDKWNN-UHFFFAOYSA-N -1 3 375.328 2.403 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000440643580 532719473 /nfs/dbraw/zinc/71/94/73/532719473.db2.gz BQWHHEDITIOPDK-UHFFFAOYSA-N -1 3 388.808 2.481 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(F)cc2)c(Cl)c1 ZINC000501154708 532738583 /nfs/dbraw/zinc/73/85/83/532738583.db2.gz KWYFWLLCPHKCGH-LBPRGKRZSA-N -1 3 388.804 2.269 20 5 GEBDHM CC(C)OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446947017 532756000 /nfs/dbraw/zinc/75/60/00/532756000.db2.gz CQWUTZZWOFEJLT-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM COC(=O)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000326172796 532790136 /nfs/dbraw/zinc/79/01/36/532790136.db2.gz KIKDJNUHWQQRIL-UHFFFAOYSA-N -1 3 376.818 2.258 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000326823175 532791116 /nfs/dbraw/zinc/79/11/16/532791116.db2.gz IUHAPQHXBRFHHM-JTQLQIEISA-N -1 3 384.435 2.352 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1nccs1 ZINC000273453915 532824703 /nfs/dbraw/zinc/82/47/03/532824703.db2.gz CYEATBDJJUBGPF-UHFFFAOYSA-N -1 3 385.423 2.052 20 5 GEBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273466925 532824727 /nfs/dbraw/zinc/82/47/27/532824727.db2.gz DXYVPQHWOBVISJ-JTQLQIEISA-N -1 3 376.456 2.191 20 5 GEBDHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000331009953 532831942 /nfs/dbraw/zinc/83/19/42/532831942.db2.gz RQMHTYJMDYAIBJ-ONGXEEELSA-N -1 3 379.232 2.203 20 5 GEBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000331009951 532831947 /nfs/dbraw/zinc/83/19/47/532831947.db2.gz RQMHTYJMDYAIBJ-KOLCDFICSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c1 ZINC000275144619 532866282 /nfs/dbraw/zinc/86/62/82/532866282.db2.gz FHJVULAHBQSKRQ-ZANVPECISA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c1 ZINC000275144611 532866590 /nfs/dbraw/zinc/86/65/90/532866590.db2.gz FHJVULAHBQSKRQ-TVQRCGJNSA-N -1 3 393.259 2.187 20 5 GEBDHM CSCC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416434937 532877294 /nfs/dbraw/zinc/87/72/94/532877294.db2.gz XLPQKCDERRAMFZ-SECBINFHSA-N -1 3 388.389 2.006 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C2CC2)ccc1Br ZINC000371217211 532947375 /nfs/dbraw/zinc/94/73/75/532947375.db2.gz WMWFYUIXHUIPAB-WCQYABFASA-N -1 3 391.243 2.203 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000737361477 598838699 /nfs/dbraw/zinc/83/86/99/598838699.db2.gz HQMFZRYVCUNOEY-UHFFFAOYSA-N -1 3 381.396 2.315 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000737361477 598838700 /nfs/dbraw/zinc/83/87/00/598838700.db2.gz HQMFZRYVCUNOEY-UHFFFAOYSA-N -1 3 381.396 2.315 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899618 598893829 /nfs/dbraw/zinc/89/38/29/598893829.db2.gz PQOVTKUJDJBXBD-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899618 598893830 /nfs/dbraw/zinc/89/38/30/598893830.db2.gz PQOVTKUJDJBXBD-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000737032184 598939761 /nfs/dbraw/zinc/93/97/61/598939761.db2.gz JAPHLWWCFIVNIP-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000737032184 598939763 /nfs/dbraw/zinc/93/97/63/598939763.db2.gz JAPHLWWCFIVNIP-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1[N+](=O)[O-] ZINC000737281398 598996756 /nfs/dbraw/zinc/99/67/56/598996756.db2.gz XNLQCCIPMGHECU-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1[N+](=O)[O-] ZINC000737281398 598996757 /nfs/dbraw/zinc/99/67/57/598996757.db2.gz XNLQCCIPMGHECU-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM CCc1cnc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)s1 ZINC000821499933 599060218 /nfs/dbraw/zinc/06/02/18/599060218.db2.gz XBXLVOGIBDNJKV-UHFFFAOYSA-N -1 3 386.441 2.120 20 5 GEBDHM CCc1cnc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)s1 ZINC000821499933 599060220 /nfs/dbraw/zinc/06/02/20/599060220.db2.gz XBXLVOGIBDNJKV-UHFFFAOYSA-N -1 3 386.441 2.120 20 5 GEBDHM COc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c([N+](=O)[O-])c1 ZINC000737111240 599159506 /nfs/dbraw/zinc/15/95/06/599159506.db2.gz JURUIRYDKVMALT-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM COc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c([N+](=O)[O-])c1 ZINC000737111240 599159508 /nfs/dbraw/zinc/15/95/08/599159508.db2.gz JURUIRYDKVMALT-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738369310 599172797 /nfs/dbraw/zinc/17/27/97/599172797.db2.gz KSOWFELNZLNZRF-LBPRGKRZSA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738369310 599172798 /nfs/dbraw/zinc/17/27/98/599172798.db2.gz KSOWFELNZLNZRF-LBPRGKRZSA-N -1 3 384.375 2.390 20 5 GEBDHM COCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736988358 599202205 /nfs/dbraw/zinc/20/22/05/599202205.db2.gz KVENWRUPCWCXQB-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM COCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736988358 599202206 /nfs/dbraw/zinc/20/22/06/599202206.db2.gz KVENWRUPCWCXQB-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000738368625 599234364 /nfs/dbraw/zinc/23/43/64/599234364.db2.gz GGVIJETZAUNUIN-UHFFFAOYSA-N -1 3 397.239 2.491 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000738368625 599234367 /nfs/dbraw/zinc/23/43/67/599234367.db2.gz GGVIJETZAUNUIN-UHFFFAOYSA-N -1 3 397.239 2.491 20 5 GEBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738278476 598235480 /nfs/dbraw/zinc/23/54/80/598235480.db2.gz LIIFQZGOPKGWLA-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738278476 598235481 /nfs/dbraw/zinc/23/54/81/598235481.db2.gz LIIFQZGOPKGWLA-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738266941 598235748 /nfs/dbraw/zinc/23/57/48/598235748.db2.gz DTIMEUREIHOASF-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738266941 598235750 /nfs/dbraw/zinc/23/57/50/598235750.db2.gz DTIMEUREIHOASF-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738224022 598289998 /nfs/dbraw/zinc/28/99/98/598289998.db2.gz LRVCCQVNGZWWJA-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2cccc(OCC(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738374549 598353462 /nfs/dbraw/zinc/35/34/62/598353462.db2.gz QHWLMCOYLRXQAO-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2cccc(OCC(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738374549 598353463 /nfs/dbraw/zinc/35/34/63/598353463.db2.gz QHWLMCOYLRXQAO-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370265 598390078 /nfs/dbraw/zinc/39/00/78/598390078.db2.gz SYPICLKVBDFHNK-SNVBAGLBSA-N -1 3 388.338 2.139 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370265 598390080 /nfs/dbraw/zinc/39/00/80/598390080.db2.gz SYPICLKVBDFHNK-SNVBAGLBSA-N -1 3 388.338 2.139 20 5 GEBDHM CCOc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])cc1OCC ZINC000736626990 598440814 /nfs/dbraw/zinc/44/08/14/598440814.db2.gz VZTNHQFUPOMIOG-UHFFFAOYSA-N -1 3 399.367 2.220 20 5 GEBDHM CCOc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])cc1OCC ZINC000736626990 598440815 /nfs/dbraw/zinc/44/08/15/598440815.db2.gz VZTNHQFUPOMIOG-UHFFFAOYSA-N -1 3 399.367 2.220 20 5 GEBDHM Cc1nn(CCC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000737513929 598483579 /nfs/dbraw/zinc/48/35/79/598483579.db2.gz YZFTZVFDUNFBKU-LBPRGKRZSA-N -1 3 385.384 2.283 20 5 GEBDHM Cc1nn(CCC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000737513929 598483581 /nfs/dbraw/zinc/48/35/81/598483581.db2.gz YZFTZVFDUNFBKU-LBPRGKRZSA-N -1 3 385.384 2.283 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000737283324 598558474 /nfs/dbraw/zinc/55/84/74/598558474.db2.gz QJJIABLZZNPJDM-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000737283324 598558475 /nfs/dbraw/zinc/55/84/75/598558475.db2.gz QJJIABLZZNPJDM-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM O=C(C1CCC1)N(CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000737783099 598558889 /nfs/dbraw/zinc/55/88/89/598558889.db2.gz IFINNZQBGURKFD-UHFFFAOYSA-N -1 3 385.428 2.368 20 5 GEBDHM O=C(C1CCC1)N(CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000737783099 598558890 /nfs/dbraw/zinc/55/88/90/598558890.db2.gz IFINNZQBGURKFD-UHFFFAOYSA-N -1 3 385.428 2.368 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738368062 598559341 /nfs/dbraw/zinc/55/93/41/598559341.db2.gz ZTZHALZYMKJBIF-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738368062 598559343 /nfs/dbraw/zinc/55/93/43/598559343.db2.gz ZTZHALZYMKJBIF-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738173915 598577039 /nfs/dbraw/zinc/57/70/39/598577039.db2.gz HHEIIRCMINHGNV-INIZCTEOSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738085670 598601780 /nfs/dbraw/zinc/60/17/80/598601780.db2.gz KPJGWBLCAGQVML-UHFFFAOYSA-N -1 3 387.331 2.115 20 5 GEBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738085670 598601782 /nfs/dbraw/zinc/60/17/82/598601782.db2.gz KPJGWBLCAGQVML-UHFFFAOYSA-N -1 3 387.331 2.115 20 5 GEBDHM COc1cccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737140950 598601980 /nfs/dbraw/zinc/60/19/80/598601980.db2.gz UJEPFPQMVQSDSQ-GFCCVEGCSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1cccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737140950 598601982 /nfs/dbraw/zinc/60/19/82/598601982.db2.gz UJEPFPQMVQSDSQ-GFCCVEGCSA-N -1 3 381.396 2.474 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738381246 598646665 /nfs/dbraw/zinc/64/66/65/598646665.db2.gz YBPJDULKFUCPRC-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000738381246 598646667 /nfs/dbraw/zinc/64/66/67/598646667.db2.gz YBPJDULKFUCPRC-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cc(F)ccc1Cl ZINC000738357156 598694401 /nfs/dbraw/zinc/69/44/01/598694401.db2.gz DGLVOFLYZBERQQ-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cc(F)ccc1Cl ZINC000738357156 598694403 /nfs/dbraw/zinc/69/44/03/598694403.db2.gz DGLVOFLYZBERQQ-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735589910 598795060 /nfs/dbraw/zinc/79/50/60/598795060.db2.gz QQKDAFVCUJYZRR-LBPRGKRZSA-N -1 3 387.444 2.154 20 5 GEBDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735589910 598795062 /nfs/dbraw/zinc/79/50/62/598795062.db2.gz QQKDAFVCUJYZRR-LBPRGKRZSA-N -1 3 387.444 2.154 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738100719 599375206 /nfs/dbraw/zinc/37/52/06/599375206.db2.gz QSTHNVKUPNTXHU-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738100719 599375208 /nfs/dbraw/zinc/37/52/08/599375208.db2.gz QSTHNVKUPNTXHU-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000822129755 599387291 /nfs/dbraw/zinc/38/72/91/599387291.db2.gz OFSMTHNBRBZFMU-UHFFFAOYSA-N -1 3 394.391 2.360 20 5 GEBDHM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826415916 607372286 /nfs/dbraw/zinc/37/22/86/607372286.db2.gz YMFHGJBOWHWAJR-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826415916 607372288 /nfs/dbraw/zinc/37/22/88/607372288.db2.gz YMFHGJBOWHWAJR-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820365476 599437980 /nfs/dbraw/zinc/43/79/80/599437980.db2.gz JYHMUDGDYJHSII-LBPRGKRZSA-N -1 3 397.395 2.214 20 5 GEBDHM C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820365476 599437984 /nfs/dbraw/zinc/43/79/84/599437984.db2.gz JYHMUDGDYJHSII-LBPRGKRZSA-N -1 3 397.395 2.214 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821615638 599463492 /nfs/dbraw/zinc/46/34/92/599463492.db2.gz GURLEMGLPHEKNF-UHFFFAOYSA-N -1 3 385.359 2.256 20 5 GEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821615638 599463494 /nfs/dbraw/zinc/46/34/94/599463494.db2.gz GURLEMGLPHEKNF-UHFFFAOYSA-N -1 3 385.359 2.256 20 5 GEBDHM COC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000821667007 599520206 /nfs/dbraw/zinc/52/02/06/599520206.db2.gz PUUZHAGAVGYLHH-JTQLQIEISA-N -1 3 396.363 2.053 20 5 GEBDHM COC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000821667007 599520208 /nfs/dbraw/zinc/52/02/08/599520208.db2.gz PUUZHAGAVGYLHH-JTQLQIEISA-N -1 3 396.363 2.053 20 5 GEBDHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819984363 599685911 /nfs/dbraw/zinc/68/59/11/599685911.db2.gz SUQATTVYYOKLDZ-UHFFFAOYSA-N -1 3 377.405 2.490 20 5 GEBDHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819984363 599685912 /nfs/dbraw/zinc/68/59/12/599685912.db2.gz SUQATTVYYOKLDZ-UHFFFAOYSA-N -1 3 377.405 2.490 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619324 599686508 /nfs/dbraw/zinc/68/65/08/599686508.db2.gz RBWYLXUIZZIQGJ-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619324 599686509 /nfs/dbraw/zinc/68/65/09/599686509.db2.gz RBWYLXUIZZIQGJ-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000821741496 607413528 /nfs/dbraw/zinc/41/35/28/607413528.db2.gz MNILKFJSECZCKH-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000821741496 607413529 /nfs/dbraw/zinc/41/35/29/607413529.db2.gz MNILKFJSECZCKH-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000826428290 607428016 /nfs/dbraw/zinc/42/80/16/607428016.db2.gz WMYMPGZJZDDLOE-UHFFFAOYSA-N -1 3 386.318 2.472 20 5 GEBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000826428290 607428019 /nfs/dbraw/zinc/42/80/19/607428019.db2.gz WMYMPGZJZDDLOE-UHFFFAOYSA-N -1 3 386.318 2.472 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826253796 607445187 /nfs/dbraw/zinc/44/51/87/607445187.db2.gz DUIWDAQZTWZOEK-UHFFFAOYSA-N -1 3 384.308 2.349 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000826253796 607445188 /nfs/dbraw/zinc/44/51/88/607445188.db2.gz DUIWDAQZTWZOEK-UHFFFAOYSA-N -1 3 384.308 2.349 20 5 GEBDHM O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823510830 607466886 /nfs/dbraw/zinc/46/68/86/607466886.db2.gz AQPCRKGQAUZOJD-CYBMUJFWSA-N -1 3 383.393 2.068 20 5 GEBDHM O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823510830 607466888 /nfs/dbraw/zinc/46/68/88/607466888.db2.gz AQPCRKGQAUZOJD-CYBMUJFWSA-N -1 3 383.393 2.068 20 5 GEBDHM COc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826196544 607579952 /nfs/dbraw/zinc/57/99/52/607579952.db2.gz GBQZVDBTWLISDL-UHFFFAOYSA-N -1 3 382.380 2.033 20 5 GEBDHM COc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826196544 607579954 /nfs/dbraw/zinc/57/99/54/607579954.db2.gz GBQZVDBTWLISDL-UHFFFAOYSA-N -1 3 382.380 2.033 20 5 GEBDHM CCNc1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825481273 607582279 /nfs/dbraw/zinc/58/22/79/607582279.db2.gz VMWZJBZJRJKANL-UHFFFAOYSA-N -1 3 397.395 2.145 20 5 GEBDHM CCNc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825481273 607582281 /nfs/dbraw/zinc/58/22/81/607582281.db2.gz VMWZJBZJRJKANL-UHFFFAOYSA-N -1 3 397.395 2.145 20 5 GEBDHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000739010541 602991495 /nfs/dbraw/zinc/99/14/95/602991495.db2.gz OHKRRNMCWYGXHZ-JSGCOSHPSA-N -1 3 392.412 2.403 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825205478 607736138 /nfs/dbraw/zinc/73/61/38/607736138.db2.gz WGSBCAMNGAPDEE-XHDPSFHLSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825205478 607736139 /nfs/dbraw/zinc/73/61/39/607736139.db2.gz WGSBCAMNGAPDEE-XHDPSFHLSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@](C)(CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1OCCO1 ZINC000820854449 606239971 /nfs/dbraw/zinc/23/99/71/606239971.db2.gz UVFBQNUHVFFMMZ-MRXNPFEDSA-N -1 3 377.405 2.151 20 5 GEBDHM CC[C@](C)(CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1OCCO1 ZINC000820854449 606239972 /nfs/dbraw/zinc/23/99/72/606239972.db2.gz UVFBQNUHVFFMMZ-MRXNPFEDSA-N -1 3 377.405 2.151 20 5 GEBDHM O=C1[C@@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513074 606247857 /nfs/dbraw/zinc/24/78/57/606247857.db2.gz SEEOCQAOQFDBND-NSHDSACASA-N -1 3 389.372 2.193 20 5 GEBDHM O=C1[C@@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513074 606247859 /nfs/dbraw/zinc/24/78/59/606247859.db2.gz SEEOCQAOQFDBND-NSHDSACASA-N -1 3 389.372 2.193 20 5 GEBDHM O=C1[C@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513073 606247993 /nfs/dbraw/zinc/24/79/93/606247993.db2.gz SEEOCQAOQFDBND-LLVKDONJSA-N -1 3 389.372 2.193 20 5 GEBDHM O=C1[C@H](Nc2cc([N+](=O)[O-])ccc2F)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513073 606247994 /nfs/dbraw/zinc/24/79/94/606247994.db2.gz SEEOCQAOQFDBND-LLVKDONJSA-N -1 3 389.372 2.193 20 5 GEBDHM Cc1nn(CCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000822500988 606353723 /nfs/dbraw/zinc/35/37/23/606353723.db2.gz PZCROZIIPYQFSS-GFCCVEGCSA-N -1 3 385.384 2.283 20 5 GEBDHM Cc1nn(CCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000822500988 606353724 /nfs/dbraw/zinc/35/37/24/606353724.db2.gz PZCROZIIPYQFSS-GFCCVEGCSA-N -1 3 385.384 2.283 20 5 GEBDHM COc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)s3)C(=O)O2)cc1[N+](=O)[O-] ZINC000821782875 606391956 /nfs/dbraw/zinc/39/19/56/606391956.db2.gz QNOUVQLGQCOSJX-YFHOEESVSA-N -1 3 398.360 2.190 20 5 GEBDHM CN(C(=O)COc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570942 606415015 /nfs/dbraw/zinc/41/50/15/606415015.db2.gz RYICQBNZIWEFJH-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM CN(C(=O)COc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570942 606415016 /nfs/dbraw/zinc/41/50/16/606415016.db2.gz RYICQBNZIWEFJH-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM CC(C)(C)N1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000819914395 606420933 /nfs/dbraw/zinc/42/09/33/606420933.db2.gz RINGGGYWOSOOIB-SNVBAGLBSA-N -1 3 396.411 2.134 20 5 GEBDHM CC(C)(C)N1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000819914395 606420935 /nfs/dbraw/zinc/42/09/35/606420935.db2.gz RINGGGYWOSOOIB-SNVBAGLBSA-N -1 3 396.411 2.134 20 5 GEBDHM Nc1c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000822903810 606523669 /nfs/dbraw/zinc/52/36/69/606523669.db2.gz OZMHZEZAVUVFTK-UHFFFAOYSA-N -1 3 379.380 2.162 20 5 GEBDHM Nc1c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000822903810 606523671 /nfs/dbraw/zinc/52/36/71/606523671.db2.gz OZMHZEZAVUVFTK-UHFFFAOYSA-N -1 3 379.380 2.162 20 5 GEBDHM COc1ccc(OCCOC(=O)c2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC000821846285 606564340 /nfs/dbraw/zinc/56/43/40/606564340.db2.gz PHQRWTYLHTVDGK-UHFFFAOYSA-N -1 3 391.365 2.081 20 5 GEBDHM COc1ccc(OCCOC(=O)c2cc(-c3nn[n-]n3)cs2)c([N+](=O)[O-])c1 ZINC000821846285 606564342 /nfs/dbraw/zinc/56/43/42/606564342.db2.gz PHQRWTYLHTVDGK-UHFFFAOYSA-N -1 3 391.365 2.081 20 5 GEBDHM CC(C)(NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988032 606581769 /nfs/dbraw/zinc/58/17/69/606581769.db2.gz QTSPGSGHLCTZMU-UHFFFAOYSA-N -1 3 381.396 2.238 20 5 GEBDHM CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914909 606588347 /nfs/dbraw/zinc/58/83/47/606588347.db2.gz RUNROYLZYVGNQZ-INIZCTEOSA-N -1 3 382.380 2.421 20 5 GEBDHM C[C@@H]1CN(C(C)(C)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000820742888 606644559 /nfs/dbraw/zinc/64/45/59/606644559.db2.gz NGMJWDKIGZKBHO-TXEJJXNPSA-N -1 3 375.433 2.075 20 5 GEBDHM COc1cc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000821717235 606644969 /nfs/dbraw/zinc/64/49/69/606644969.db2.gz MJBZQDULSDZDHN-UHFFFAOYSA-N -1 3 386.368 2.413 20 5 GEBDHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000819928073 606724427 /nfs/dbraw/zinc/72/44/27/606724427.db2.gz HPBSYRRAUUJJOJ-LLVKDONJSA-N -1 3 389.416 2.118 20 5 GEBDHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000819928073 606724428 /nfs/dbraw/zinc/72/44/28/606724428.db2.gz HPBSYRRAUUJJOJ-LLVKDONJSA-N -1 3 389.416 2.118 20 5 GEBDHM CCOC(=O)c1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000821337839 606775211 /nfs/dbraw/zinc/77/52/11/606775211.db2.gz OORCYECUEZIDIK-UHFFFAOYSA-N -1 3 382.336 2.204 20 5 GEBDHM CCOC(=O)c1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000821337839 606775213 /nfs/dbraw/zinc/77/52/13/606775213.db2.gz OORCYECUEZIDIK-UHFFFAOYSA-N -1 3 382.336 2.204 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823246614 606787898 /nfs/dbraw/zinc/78/78/98/606787898.db2.gz XEKXHUNCTHITLS-UHFFFAOYSA-N -1 3 387.787 2.428 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823246614 606787899 /nfs/dbraw/zinc/78/78/99/606787899.db2.gz XEKXHUNCTHITLS-UHFFFAOYSA-N -1 3 387.787 2.428 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000822271352 607004585 /nfs/dbraw/zinc/00/45/85/607004585.db2.gz YBYOQAPZFYIMKD-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000822271352 607004587 /nfs/dbraw/zinc/00/45/87/607004587.db2.gz YBYOQAPZFYIMKD-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644220 607032206 /nfs/dbraw/zinc/03/22/06/607032206.db2.gz GWSRPONHVKJOOI-UHFFFAOYSA-N -1 3 381.396 2.473 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644220 607032208 /nfs/dbraw/zinc/03/22/08/607032208.db2.gz GWSRPONHVKJOOI-UHFFFAOYSA-N -1 3 381.396 2.473 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@]4(O)CCCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644616 607032563 /nfs/dbraw/zinc/03/25/63/607032563.db2.gz JMCGWXJZIYFAHL-HXPMCKFVSA-N -1 3 395.423 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@]4(O)CCCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644616 607032565 /nfs/dbraw/zinc/03/25/65/607032565.db2.gz JMCGWXJZIYFAHL-HXPMCKFVSA-N -1 3 395.423 2.455 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823392168 607133469 /nfs/dbraw/zinc/13/34/69/607133469.db2.gz MGOLQMVUSHFESH-ZIAGYGMSSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823392168 607133471 /nfs/dbraw/zinc/13/34/71/607133471.db2.gz MGOLQMVUSHFESH-ZIAGYGMSSA-N -1 3 383.368 2.312 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822212686 607142870 /nfs/dbraw/zinc/14/28/70/607142870.db2.gz CAEMSMMCSRFXTR-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822212686 607142872 /nfs/dbraw/zinc/14/28/72/607142872.db2.gz CAEMSMMCSRFXTR-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821845780 607164787 /nfs/dbraw/zinc/16/47/87/607164787.db2.gz JEVXNKRGGOCRKE-UHFFFAOYSA-N -1 3 394.351 2.446 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821845780 607164788 /nfs/dbraw/zinc/16/47/88/607164788.db2.gz JEVXNKRGGOCRKE-UHFFFAOYSA-N -1 3 394.351 2.446 20 5 GEBDHM O=[N+]([O-])c1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826499182 607875878 /nfs/dbraw/zinc/87/58/78/607875878.db2.gz YXBCUEZLLWVRAF-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826498527 607876067 /nfs/dbraw/zinc/87/60/67/607876067.db2.gz ZDSXFDKOSVQULY-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM CCc1nnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2nnn[n-]2)c1CC ZINC000825767910 607937495 /nfs/dbraw/zinc/93/74/95/607937495.db2.gz UEXNIDLSOMRNTQ-UHFFFAOYSA-N -1 3 380.412 2.252 20 5 GEBDHM CCc1nnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2nn[n-]n2)c1CC ZINC000825767910 607937496 /nfs/dbraw/zinc/93/74/96/607937496.db2.gz UEXNIDLSOMRNTQ-UHFFFAOYSA-N -1 3 380.412 2.252 20 5 GEBDHM O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469666 607946735 /nfs/dbraw/zinc/94/67/35/607946735.db2.gz NVVJMMUFZASCTC-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469666 607946736 /nfs/dbraw/zinc/94/67/36/607946736.db2.gz NVVJMMUFZASCTC-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500596 607979185 /nfs/dbraw/zinc/97/91/85/607979185.db2.gz YKRQMFFQQKSEAA-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500596 607979186 /nfs/dbraw/zinc/97/91/86/607979186.db2.gz YKRQMFFQQKSEAA-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826212070 608052278 /nfs/dbraw/zinc/05/22/78/608052278.db2.gz FUDBQQGJSZAFBT-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826212070 608052279 /nfs/dbraw/zinc/05/22/79/608052279.db2.gz FUDBQQGJSZAFBT-QGZVFWFLSA-N -1 3 382.380 2.361 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826498216 608052783 /nfs/dbraw/zinc/05/27/83/608052783.db2.gz LPGHGUGBSIRKAK-AWEZNQCLSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826498216 608052784 /nfs/dbraw/zinc/05/27/84/608052784.db2.gz LPGHGUGBSIRKAK-AWEZNQCLSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccnc1OCC(F)F ZINC000826497559 608150783 /nfs/dbraw/zinc/15/07/83/608150783.db2.gz LHAQOBCJLMYPKS-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccnc1OCC(F)F ZINC000826497559 608150785 /nfs/dbraw/zinc/15/07/85/608150785.db2.gz LHAQOBCJLMYPKS-UHFFFAOYSA-N -1 3 377.311 2.426 20 5 GEBDHM CCC1(CO)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825171622 608151505 /nfs/dbraw/zinc/15/15/05/608151505.db2.gz SJBPHUINLDCBOB-UHFFFAOYSA-N -1 3 383.412 2.312 20 5 GEBDHM CCC1(CO)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825171622 608151507 /nfs/dbraw/zinc/15/15/07/608151507.db2.gz SJBPHUINLDCBOB-UHFFFAOYSA-N -1 3 383.412 2.312 20 5 GEBDHM CC(C)(C)OC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000824109656 608152534 /nfs/dbraw/zinc/15/25/34/608152534.db2.gz VEHYWGRDOHFAMW-CYBMUJFWSA-N -1 3 389.416 2.490 20 5 GEBDHM CC(C)(C)OC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000824109656 608152535 /nfs/dbraw/zinc/15/25/35/608152535.db2.gz VEHYWGRDOHFAMW-CYBMUJFWSA-N -1 3 389.416 2.490 20 5 GEBDHM O=C(CCn1cc(Cl)cn1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409684 608161490 /nfs/dbraw/zinc/16/14/90/608161490.db2.gz KRWPHKAAAZTKSS-UHFFFAOYSA-N -1 3 397.182 2.307 20 5 GEBDHM O=C(CCn1cc(Cl)cn1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409684 608161491 /nfs/dbraw/zinc/16/14/91/608161491.db2.gz KRWPHKAAAZTKSS-UHFFFAOYSA-N -1 3 397.182 2.307 20 5 GEBDHM Cc1nn(C)c(C)c1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826333091 608161914 /nfs/dbraw/zinc/16/19/14/608161914.db2.gz SYKVDYMPBKLJFX-UHFFFAOYSA-N -1 3 376.764 2.031 20 5 GEBDHM Cc1nn(C)c(C)c1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826333091 608161915 /nfs/dbraw/zinc/16/19/15/608161915.db2.gz SYKVDYMPBKLJFX-UHFFFAOYSA-N -1 3 376.764 2.031 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CSCCS1 ZINC000826450765 608163938 /nfs/dbraw/zinc/16/39/38/608163938.db2.gz CQORUSVKLSTSHV-VIFPVBQESA-N -1 3 386.846 2.215 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CSCCS1 ZINC000826450765 608163940 /nfs/dbraw/zinc/16/39/40/608163940.db2.gz CQORUSVKLSTSHV-VIFPVBQESA-N -1 3 386.846 2.215 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCO[C@@]4(CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499443 608198702 /nfs/dbraw/zinc/19/87/02/608198702.db2.gz IXBFCBMYHGXSFI-VOJFVSQTSA-N -1 3 397.395 2.073 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCO[C@@]4(CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499443 608198704 /nfs/dbraw/zinc/19/87/04/608198704.db2.gz IXBFCBMYHGXSFI-VOJFVSQTSA-N -1 3 397.395 2.073 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCO[C@]4(CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499441 608198799 /nfs/dbraw/zinc/19/87/99/608198799.db2.gz IXBFCBMYHGXSFI-ADLMAVQZSA-N -1 3 397.395 2.073 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCO[C@]4(CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499441 608198801 /nfs/dbraw/zinc/19/88/01/608198801.db2.gz IXBFCBMYHGXSFI-ADLMAVQZSA-N -1 3 397.395 2.073 20 5 GEBDHM CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000823980989 608231303 /nfs/dbraw/zinc/23/13/03/608231303.db2.gz IMAYVOWERVLSOJ-UHFFFAOYSA-N -1 3 385.428 2.146 20 5 GEBDHM CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000823980989 608231305 /nfs/dbraw/zinc/23/13/05/608231305.db2.gz IMAYVOWERVLSOJ-UHFFFAOYSA-N -1 3 385.428 2.146 20 5 GEBDHM COc1ccc([C@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189690 608239348 /nfs/dbraw/zinc/23/93/48/608239348.db2.gz BMUPLTSJLOYADZ-MEBBXXQBSA-N -1 3 385.384 2.367 20 5 GEBDHM COc1ccc([C@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189690 608239349 /nfs/dbraw/zinc/23/93/49/608239349.db2.gz BMUPLTSJLOYADZ-MEBBXXQBSA-N -1 3 385.384 2.367 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826440685 608243412 /nfs/dbraw/zinc/24/34/12/608243412.db2.gz WYHSJLGQFAIBCS-UHFFFAOYSA-N -1 3 393.338 2.392 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826440685 608243414 /nfs/dbraw/zinc/24/34/14/608243414.db2.gz WYHSJLGQFAIBCS-UHFFFAOYSA-N -1 3 393.338 2.392 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826273241 608336975 /nfs/dbraw/zinc/33/69/75/608336975.db2.gz VEYDXOYXBBRLQI-GFCCVEGCSA-N -1 3 394.391 2.440 20 5 GEBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825938357 608552319 /nfs/dbraw/zinc/55/23/19/608552319.db2.gz QEZKRXGFWPIRMP-UHFFFAOYSA-N -1 3 377.405 2.078 20 5 GEBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825938357 608552320 /nfs/dbraw/zinc/55/23/20/608552320.db2.gz QEZKRXGFWPIRMP-UHFFFAOYSA-N -1 3 377.405 2.078 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826422345 609330091 /nfs/dbraw/zinc/33/00/91/609330091.db2.gz VVPUIBIJGYQQDR-UHFFFAOYSA-N -1 3 386.799 2.330 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826422345 609330093 /nfs/dbraw/zinc/33/00/93/609330093.db2.gz VVPUIBIJGYQQDR-UHFFFAOYSA-N -1 3 386.799 2.330 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000826176518 609424642 /nfs/dbraw/zinc/42/46/42/609424642.db2.gz SNHBWQKLYMVKOZ-UHFFFAOYSA-N -1 3 386.368 2.253 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000826176518 609424644 /nfs/dbraw/zinc/42/46/44/609424644.db2.gz SNHBWQKLYMVKOZ-UHFFFAOYSA-N -1 3 386.368 2.253 20 5 GEBDHM Cc1nn(CN(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000826334825 609533295 /nfs/dbraw/zinc/53/32/95/609533295.db2.gz LCLILAQNFNJXMU-UHFFFAOYSA-N -1 3 396.333 2.302 20 5 GEBDHM Cc1nn(CN(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000826334825 609533297 /nfs/dbraw/zinc/53/32/97/609533297.db2.gz LCLILAQNFNJXMU-UHFFFAOYSA-N -1 3 396.333 2.302 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824104249 609604502 /nfs/dbraw/zinc/60/45/02/609604502.db2.gz PUBGGYXWPZSAFT-NSHDSACASA-N -1 3 389.416 2.444 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824104249 609604504 /nfs/dbraw/zinc/60/45/04/609604504.db2.gz PUBGGYXWPZSAFT-NSHDSACASA-N -1 3 389.416 2.444 20 5 GEBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462483071 650481691 /nfs/dbraw/zinc/48/16/91/650481691.db2.gz ZPYQWPJEPCEVQM-UHFFFAOYSA-N -1 3 375.328 2.403 20 5 GEBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCCC1 ZINC000525184504 650651109 /nfs/dbraw/zinc/65/11/09/650651109.db2.gz LAGJZCOTHVYIAU-GFCCVEGCSA-N -1 3 382.467 2.167 20 5 GEBDHM CNC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc1 ZINC000485694734 650699133 /nfs/dbraw/zinc/69/91/33/650699133.db2.gz QGWZUVGWONSOPM-UHFFFAOYSA-N -1 3 385.199 2.426 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn(CC(F)(F)F)c2)c(Cl)c1 ZINC000531657173 650742379 /nfs/dbraw/zinc/74/23/79/650742379.db2.gz AXQXUDYGNGZJSF-UHFFFAOYSA-N -1 3 398.750 2.486 20 5 GEBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000533913240 650766807 /nfs/dbraw/zinc/76/68/07/650766807.db2.gz OECHJKFCPXAWRS-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM COc1cc(OC)c(OC)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243828 642871383 /nfs/dbraw/zinc/87/13/83/642871383.db2.gz FZELWDYIXCUKGQ-UHFFFAOYSA-N -1 3 388.423 2.161 20 5 GEBDHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327503 642908889 /nfs/dbraw/zinc/90/88/89/642908889.db2.gz AVRZMBNGSHKJRR-AWEZNQCLSA-N -1 3 378.435 2.458 20 5 GEBDHM O=C([N-]c1nncs1)c1ccc(I)c([N+](=O)[O-])c1 ZINC000104041008 643176525 /nfs/dbraw/zinc/17/65/25/643176525.db2.gz KHUILDAHSQCATQ-UHFFFAOYSA-N -1 3 376.135 2.303 20 5 GEBDHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000133384172 643894313 /nfs/dbraw/zinc/89/43/13/643894313.db2.gz DANRMRUVHSBOQC-UHFFFAOYSA-N -1 3 379.232 2.251 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2(O)CCCCC2)c1 ZINC000159809949 644195328 /nfs/dbraw/zinc/19/53/28/644195328.db2.gz BBMVLMXAGUIPHQ-UHFFFAOYSA-N -1 3 393.259 2.331 20 5 GEBDHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000543169685 650902356 /nfs/dbraw/zinc/90/23/56/650902356.db2.gz MIVNYETVLYLMQI-QPUJVOFHSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000183795957 645004042 /nfs/dbraw/zinc/00/40/42/645004042.db2.gz SEKQRQMTLVDORG-JSGCOSHPSA-N -1 3 381.479 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCC(F)(F)F)c(Cl)c1 ZINC000193799455 645300095 /nfs/dbraw/zinc/30/00/95/645300095.db2.gz YLWHULNLEBUZRW-UHFFFAOYSA-N -1 3 376.740 2.496 20 5 GEBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269471621 646037836 /nfs/dbraw/zinc/03/78/36/646037836.db2.gz LJAQALTUAFTXAH-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c(Br)c1 ZINC000269486373 646039831 /nfs/dbraw/zinc/03/98/31/646039831.db2.gz QVRBWIMZCIHCIP-SECBINFHSA-N -1 3 379.232 2.062 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c(Br)c1 ZINC000269486375 646040011 /nfs/dbraw/zinc/04/00/11/646040011.db2.gz QVRBWIMZCIHCIP-VIFPVBQESA-N -1 3 379.232 2.062 20 5 GEBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269768835 646053800 /nfs/dbraw/zinc/05/38/00/646053800.db2.gz FHHFMISURIXIDD-SNVBAGLBSA-N -1 3 395.275 2.434 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C[C@H](C)O ZINC000269850474 646067364 /nfs/dbraw/zinc/06/73/64/646067364.db2.gz ZPWASSDGYUESLJ-BDAKNGLRSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271306736 646188836 /nfs/dbraw/zinc/18/88/36/646188836.db2.gz VRKUJIVBSMUGBD-RKDXNWHRSA-N -1 3 379.232 2.203 20 5 GEBDHM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271743911 646227705 /nfs/dbraw/zinc/22/77/05/646227705.db2.gz WXRVFRUYQBBEJK-OIBJUYFYSA-N -1 3 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CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826224271 653948144 /nfs/dbraw/zinc/94/81/44/653948144.db2.gz XHDVADVABCXNPI-UHFFFAOYSA-N -1 3 383.436 2.391 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826224271 653948148 /nfs/dbraw/zinc/94/81/48/653948148.db2.gz XHDVADVABCXNPI-UHFFFAOYSA-N -1 3 383.436 2.391 20 5 GEBDHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795808584 653967948 /nfs/dbraw/zinc/96/79/48/653967948.db2.gz CCFPUQDSFOHYET-SNVBAGLBSA-N -1 3 379.841 2.398 20 5 GEBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796138703 653987582 /nfs/dbraw/zinc/98/75/82/653987582.db2.gz CNZXXGRQRHLBCS-UWVGGRQHSA-N -1 3 393.259 2.308 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(OC)OC ZINC000849408088 654025545 /nfs/dbraw/zinc/02/55/45/654025545.db2.gz ZVVAHGFNRJIJTA-SNVBAGLBSA-N -1 3 397.247 2.033 20 5 GEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)no1 ZINC000799765046 654110447 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CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000067431996 531884889 /nfs/dbraw/zinc/88/48/89/531884889.db2.gz HPNKVEIQGVRASF-JTQLQIEISA-N -1 3 383.451 2.332 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000120770585 531993828 /nfs/dbraw/zinc/99/38/28/531993828.db2.gz CUQLURRDWOTCHV-BDAKNGLRSA-N -1 3 381.248 2.043 20 5 GEBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000121477029 532030788 /nfs/dbraw/zinc/03/07/88/532030788.db2.gz OEQPCZSFDVAYHN-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122077363 532056733 /nfs/dbraw/zinc/05/67/33/532056733.db2.gz IQYUFSAWZKCTGX-GFCCVEGCSA-N -1 3 381.248 2.043 20 5 GEBDHM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000175877455 532117827 /nfs/dbraw/zinc/11/78/27/532117827.db2.gz DOUSWXSEPWZVAN-QHCPKHFHSA-N -1 3 388.854 2.464 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000124983884 532131865 /nfs/dbraw/zinc/13/18/65/532131865.db2.gz ZEYDZZNRBBYAGN-UHFFFAOYSA-N -1 3 391.515 2.132 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000176735957 532147047 /nfs/dbraw/zinc/14/70/47/532147047.db2.gz HSXINFWHKUYDLA-UHFFFAOYSA-N -1 3 389.861 2.141 20 5 GEBDHM Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000128747639 532167595 /nfs/dbraw/zinc/16/75/95/532167595.db2.gz SGPQRUFYGDGWLR-UHFFFAOYSA-N -1 3 376.847 2.404 20 5 GEBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000128850883 532169799 /nfs/dbraw/zinc/16/97/99/532169799.db2.gz OQWXJCBSUYNMTF-SNVBAGLBSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000127992934 532160432 /nfs/dbraw/zinc/16/04/32/532160432.db2.gz RWTWSQPGBTYVAD-LLVKDONJSA-N -1 3 382.829 2.200 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)cc1Br ZINC000188929781 532350258 /nfs/dbraw/zinc/35/02/58/532350258.db2.gz VTLTXZVFMRAXBC-BXKDBHETSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190627375 532357078 /nfs/dbraw/zinc/35/70/78/532357078.db2.gz XUTVGSIYFJJWKF-JLLWLGSASA-N -1 3 391.243 2.203 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000590764506 532385654 /nfs/dbraw/zinc/38/56/54/532385654.db2.gz CHWRFJZOEWOCEU-UHFFFAOYSA-N -1 3 380.369 2.432 20 5 GEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000427151825 532413504 /nfs/dbraw/zinc/41/35/04/532413504.db2.gz GHJURLMNCSWTCG-UHFFFAOYSA-N -1 3 383.158 2.048 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2scnc2C)cc1[N+](=O)[O-] ZINC000295260715 532428147 /nfs/dbraw/zinc/42/81/47/532428147.db2.gz DDRRCMUCGCFVAZ-UHFFFAOYSA-N -1 3 375.403 2.028 20 5 GEBDHM COC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCC(C)CC1 ZINC000467396237 532444753 /nfs/dbraw/zinc/44/47/53/532444753.db2.gz XZGCKHPBQDIDAA-UHFFFAOYSA-N -1 3 376.456 2.365 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000562016654 532455909 /nfs/dbraw/zinc/45/59/09/532455909.db2.gz XAOHYQUGBWKXIU-XJKSGUPXSA-N -1 3 382.463 2.409 20 5 GEBDHM COc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)ccc1[N+](=O)[O-] ZINC000469219993 532497346 /nfs/dbraw/zinc/49/73/46/532497346.db2.gz PIYKWJATTYFJGT-UHFFFAOYSA-N -1 3 385.785 2.157 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H]2CCc3ccccc3NC2=O)s1 ZINC000594590911 532515507 /nfs/dbraw/zinc/51/55/07/532515507.db2.gz OCLVPWLXALFPCB-NSHDSACASA-N -1 3 381.435 2.425 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473351729 532590213 /nfs/dbraw/zinc/59/02/13/532590213.db2.gz QTRRGOPBUKJEKO-UHFFFAOYSA-N -1 3 393.805 2.366 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2n[nH]cc2Br)c1C ZINC000531939257 532642361 /nfs/dbraw/zinc/64/23/61/532642361.db2.gz POAKHRYVDRDBTO-UHFFFAOYSA-N -1 3 389.231 2.176 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599459120 532660677 /nfs/dbraw/zinc/66/06/77/532660677.db2.gz DFQLIUPQGGVGLQ-NMSKTSORSA-N -1 3 393.259 2.448 20 5 GEBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000437694190 532662520 /nfs/dbraw/zinc/66/25/20/532662520.db2.gz AJTWLBQTNUWGGA-SNVBAGLBSA-N -1 3 376.456 2.176 20 5 GEBDHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000599517698 532665168 /nfs/dbraw/zinc/66/51/68/532665168.db2.gz IHQXHSAHEFSESL-DKTWLAJQSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000298927472 532685040 /nfs/dbraw/zinc/68/50/40/532685040.db2.gz DFTZTCBSMVLYNG-MNOVXSKESA-N -1 3 383.451 2.201 20 5 GEBDHM CCN1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000298859930 532680381 /nfs/dbraw/zinc/68/03/81/532680381.db2.gz PENNNLZNOPKULM-UHFFFAOYSA-N -1 3 392.275 2.120 20 5 GEBDHM Cc1cscc1NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000439486007 532695565 /nfs/dbraw/zinc/69/55/65/532695565.db2.gz VLFHKRQQCRWZBJ-UHFFFAOYSA-N -1 3 384.439 2.065 20 5 GEBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000387045879 532704899 /nfs/dbraw/zinc/70/48/99/532704899.db2.gz PAYVSIFLSDOFOJ-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM CCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cn1 ZINC000285789438 532707716 /nfs/dbraw/zinc/70/77/16/532707716.db2.gz ZIXQWFWTCUQQER-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443289917 532744318 /nfs/dbraw/zinc/74/43/18/532744318.db2.gz ALVFYKMECRYVED-NOZJJQNGSA-N -1 3 395.275 2.433 20 5 GEBDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443279007 532744568 /nfs/dbraw/zinc/74/45/68/532744568.db2.gz DZGWXRRFOWBMLS-JTQLQIEISA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1nc(C)cs1 ZINC000326815713 532790768 /nfs/dbraw/zinc/79/07/68/532790768.db2.gz GQWFMRXRQMWPTN-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000548697506 532793210 /nfs/dbraw/zinc/79/32/10/532793210.db2.gz GKHOIICYBPUYHX-JTQLQIEISA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330483028 532819014 /nfs/dbraw/zinc/81/90/14/532819014.db2.gz UYXSGAYXZOWPAH-OLZOCXBDSA-N -1 3 393.259 2.187 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000273490862 532825345 /nfs/dbraw/zinc/82/53/45/532825345.db2.gz HCZSBWQAKBGVNS-JQWIXIFHSA-N -1 3 388.467 2.334 20 5 GEBDHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000330684024 532825889 /nfs/dbraw/zinc/82/58/89/532825889.db2.gz SESDZKBWLKJBLS-UHFFFAOYSA-N -1 3 381.248 2.185 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCCCSC ZINC000274708603 532854854 /nfs/dbraw/zinc/85/48/54/532854854.db2.gz BRJIBKRKCVJNMB-UHFFFAOYSA-N -1 3 376.456 2.193 20 5 GEBDHM CSCCCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000274760212 532856076 /nfs/dbraw/zinc/85/60/76/532856076.db2.gz SFTUXHBJULNUOA-UHFFFAOYSA-N -1 3 376.456 2.178 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCN1CCCCC1 ZINC000416372759 532872768 /nfs/dbraw/zinc/87/27/68/532872768.db2.gz NOLYSOMRQIRBTB-UHFFFAOYSA-N -1 3 381.376 2.378 20 5 GEBDHM CSC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416460343 532877834 /nfs/dbraw/zinc/87/78/34/532877834.db2.gz LMEOMZYJUJEYPS-SECBINFHSA-N -1 3 388.389 2.006 20 5 GEBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000420734665 532886030 /nfs/dbraw/zinc/88/60/30/532886030.db2.gz JTMHZARMDYIHDQ-UHFFFAOYSA-N -1 3 376.437 2.291 20 5 GEBDHM Cc1nc(-c2cccc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2)n[nH]1 ZINC000366925053 532921798 /nfs/dbraw/zinc/92/17/98/532921798.db2.gz WLZHQMHYOORENC-UHFFFAOYSA-N -1 3 379.423 2.228 20 5 GEBDHM CNc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736885720 598886896 /nfs/dbraw/zinc/88/68/96/598886896.db2.gz BKTMBOHMHRYUID-NSHDSACASA-N -1 3 398.379 2.441 20 5 GEBDHM CNc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736885720 598886898 /nfs/dbraw/zinc/88/68/98/598886898.db2.gz BKTMBOHMHRYUID-NSHDSACASA-N -1 3 398.379 2.441 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900057 598899489 /nfs/dbraw/zinc/89/94/89/598899489.db2.gz PXHWHDHWPXGQAC-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900057 598899490 /nfs/dbraw/zinc/89/94/90/598899490.db2.gz PXHWHDHWPXGQAC-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])cc1C=O ZINC000737032771 598938360 /nfs/dbraw/zinc/93/83/60/598938360.db2.gz OFECYXBTQUQMIG-UHFFFAOYSA-N -1 3 385.336 2.054 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])cc1C=O ZINC000737032771 598938362 /nfs/dbraw/zinc/93/83/62/598938362.db2.gz OFECYXBTQUQMIG-UHFFFAOYSA-N -1 3 385.336 2.054 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000737281316 598950165 /nfs/dbraw/zinc/95/01/65/598950165.db2.gz WLYJUFPXRMMXJB-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000737281316 598950166 /nfs/dbraw/zinc/95/01/66/598950166.db2.gz WLYJUFPXRMMXJB-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM CCc1cnc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)s1 ZINC000821499235 599060278 /nfs/dbraw/zinc/06/02/78/599060278.db2.gz FRGBPXMTCXHTGF-UHFFFAOYSA-N -1 3 386.441 2.120 20 5 GEBDHM CCc1cnc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)s1 ZINC000821499235 599060281 /nfs/dbraw/zinc/06/02/81/599060281.db2.gz FRGBPXMTCXHTGF-UHFFFAOYSA-N -1 3 386.441 2.120 20 5 GEBDHM CCOC(=O)c1ccnc(NCc2cc(-c3nnn[n-]3)ccc2F)c1[N+](=O)[O-] ZINC000821342527 599069807 /nfs/dbraw/zinc/06/98/07/599069807.db2.gz DQOYSZDBUYRSFY-UHFFFAOYSA-N -1 3 387.331 2.098 20 5 GEBDHM CCOC(=O)c1ccnc(NCc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC000821342527 599069809 /nfs/dbraw/zinc/06/98/09/599069809.db2.gz DQOYSZDBUYRSFY-UHFFFAOYSA-N -1 3 387.331 2.098 20 5 GEBDHM COCCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987819 599113769 /nfs/dbraw/zinc/11/37/69/599113769.db2.gz GNCARWMTDFYNJV-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM COCCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987819 599113771 /nfs/dbraw/zinc/11/37/71/599113771.db2.gz GNCARWMTDFYNJV-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM CC(C)Oc1cccc([C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735912915 599205385 /nfs/dbraw/zinc/20/53/85/599205385.db2.gz JIVRPTNNTJFCGT-HNNXBMFYSA-N -1 3 385.384 2.103 20 5 GEBDHM CC(C)Oc1cccc([C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735912915 599205387 /nfs/dbraw/zinc/20/53/87/599205387.db2.gz JIVRPTNNTJFCGT-HNNXBMFYSA-N -1 3 385.384 2.103 20 5 GEBDHM Cc1c(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822095641 599248432 /nfs/dbraw/zinc/24/84/32/599248432.db2.gz FNFYYTHVOWRFCC-UHFFFAOYSA-N -1 3 383.368 2.284 20 5 GEBDHM CCc1cc(N2CCC(Nc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000821469319 607347658 /nfs/dbraw/zinc/34/76/58/607347658.db2.gz CGVNWQQJSTVVIV-UHFFFAOYSA-N -1 3 395.427 2.208 20 5 GEBDHM CCc1cc(N2CCC(Nc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000821469319 607347661 /nfs/dbraw/zinc/34/76/61/607347661.db2.gz CGVNWQQJSTVVIV-UHFFFAOYSA-N -1 3 395.427 2.208 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2ncn(CCOc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000738367925 598378012 /nfs/dbraw/zinc/37/80/12/598378012.db2.gz XBSZWXRUYWXNCJ-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2ncn(CCOc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000738367925 598378013 /nfs/dbraw/zinc/37/80/13/598378013.db2.gz XBSZWXRUYWXNCJ-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000738370206 598387361 /nfs/dbraw/zinc/38/73/61/598387361.db2.gz OCMFJGGYXFUCEU-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000738370206 598387363 /nfs/dbraw/zinc/38/73/63/598387363.db2.gz OCMFJGGYXFUCEU-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738369717 598458002 /nfs/dbraw/zinc/45/80/02/598458002.db2.gz MYKFRCJJIHXOOZ-CQSZACIVSA-N -1 3 389.322 2.026 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738369717 598458003 /nfs/dbraw/zinc/45/80/03/598458003.db2.gz MYKFRCJJIHXOOZ-CQSZACIVSA-N -1 3 389.322 2.026 20 5 GEBDHM O=C(Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC000738173168 598498379 /nfs/dbraw/zinc/49/83/79/598498379.db2.gz KPQPZLAURLTMJF-AWEZNQCLSA-N -1 3 396.367 2.031 20 5 GEBDHM O=C(Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000738173168 598498381 /nfs/dbraw/zinc/49/83/81/598498381.db2.gz KPQPZLAURLTMJF-AWEZNQCLSA-N -1 3 396.367 2.031 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738368945 598559562 /nfs/dbraw/zinc/55/95/62/598559562.db2.gz GDXOBNYYLUJJIM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738368945 598559563 /nfs/dbraw/zinc/55/95/63/598559563.db2.gz GDXOBNYYLUJJIM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000737063335 598582367 /nfs/dbraw/zinc/58/23/67/598582367.db2.gz WSKCMYSJWAJWIE-CQSZACIVSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000737063335 598582368 /nfs/dbraw/zinc/58/23/68/598582368.db2.gz WSKCMYSJWAJWIE-CQSZACIVSA-N -1 3 395.379 2.001 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737219602 598592168 /nfs/dbraw/zinc/59/21/68/598592168.db2.gz SGTMCIZPAPACOO-UHFFFAOYSA-N -1 3 387.287 2.383 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737219602 598592169 /nfs/dbraw/zinc/59/21/69/598592169.db2.gz SGTMCIZPAPACOO-UHFFFAOYSA-N -1 3 387.287 2.383 20 5 GEBDHM Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nc(C)n1 ZINC000737272990 598672488 /nfs/dbraw/zinc/67/24/88/598672488.db2.gz XPFPMNOWHISPII-ZDUSSCGKSA-N -1 3 395.427 2.263 20 5 GEBDHM Cc1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nc(C)n1 ZINC000737272990 598672489 /nfs/dbraw/zinc/67/24/89/598672489.db2.gz XPFPMNOWHISPII-ZDUSSCGKSA-N -1 3 395.427 2.263 20 5 GEBDHM Cc1csc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000737451416 598672852 /nfs/dbraw/zinc/67/28/52/598672852.db2.gz COCAHWKBOSKORO-NSHDSACASA-N -1 3 386.441 2.255 20 5 GEBDHM Cc1csc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000737451416 598672854 /nfs/dbraw/zinc/67/28/54/598672854.db2.gz COCAHWKBOSKORO-NSHDSACASA-N -1 3 386.441 2.255 20 5 GEBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738066625 598675511 /nfs/dbraw/zinc/67/55/11/598675511.db2.gz RVOQPZSJLABNKJ-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738066625 598675513 /nfs/dbraw/zinc/67/55/13/598675513.db2.gz RVOQPZSJLABNKJ-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=C(NCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000738064683 598675721 /nfs/dbraw/zinc/67/57/21/598675721.db2.gz DDCLVTQXKBVHPU-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=C(NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000738064683 598675723 /nfs/dbraw/zinc/67/57/23/598675723.db2.gz DDCLVTQXKBVHPU-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737986189 598708501 /nfs/dbraw/zinc/70/85/01/598708501.db2.gz VLGGJZNHDWBLDQ-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737986189 598708503 /nfs/dbraw/zinc/70/85/03/598708503.db2.gz VLGGJZNHDWBLDQ-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737849791 598709584 /nfs/dbraw/zinc/70/95/84/598709584.db2.gz GOZSDJXYLFEPHB-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737849791 598709585 /nfs/dbraw/zinc/70/95/85/598709585.db2.gz GOZSDJXYLFEPHB-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737920249 598711751 /nfs/dbraw/zinc/71/17/51/598711751.db2.gz OZUMLZGDFJUTGD-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737920249 598711753 /nfs/dbraw/zinc/71/17/53/598711753.db2.gz OZUMLZGDFJUTGD-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738278915 598746314 /nfs/dbraw/zinc/74/63/14/598746314.db2.gz PGTSPEKBMDWILY-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM COC(=O)c1cc(OCc2cn3ccccc3c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000736950705 598751997 /nfs/dbraw/zinc/75/19/97/598751997.db2.gz MMZPENIWWLRXAA-UHFFFAOYSA-N -1 3 394.347 2.393 20 5 GEBDHM COC(=O)c1cc(OCc2cn3ccccc3c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000736950705 598751999 /nfs/dbraw/zinc/75/19/99/598751999.db2.gz MMZPENIWWLRXAA-UHFFFAOYSA-N -1 3 394.347 2.393 20 5 GEBDHM COC(=O)c1cc(OCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000736950755 598752124 /nfs/dbraw/zinc/75/21/24/598752124.db2.gz MZYLQTLYVCVLRV-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COC(=O)c1cc(OCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000736950755 598752125 /nfs/dbraw/zinc/75/21/25/598752125.db2.gz MZYLQTLYVCVLRV-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736168159 598778496 /nfs/dbraw/zinc/77/84/96/598778496.db2.gz IGRLQNSHJCPUJB-SNVBAGLBSA-N -1 3 387.327 2.425 20 5 GEBDHM CCN1C[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000821239304 599315632 /nfs/dbraw/zinc/31/56/32/599315632.db2.gz AKBWMMFAGMDNTJ-CQSZACIVSA-N -1 3 395.423 2.499 20 5 GEBDHM CCN1C[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000821239304 599315635 /nfs/dbraw/zinc/31/56/35/599315635.db2.gz AKBWMMFAGMDNTJ-CQSZACIVSA-N -1 3 395.423 2.499 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736841622 599350281 /nfs/dbraw/zinc/35/02/81/599350281.db2.gz GFMYFFLEBYAEOR-MRXNPFEDSA-N -1 3 379.380 2.017 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736841622 599350283 /nfs/dbraw/zinc/35/02/83/599350283.db2.gz GFMYFFLEBYAEOR-MRXNPFEDSA-N -1 3 379.380 2.017 20 5 GEBDHM C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368230 599422359 /nfs/dbraw/zinc/42/23/59/599422359.db2.gz YHELCCFMMVWCBL-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368230 599422360 /nfs/dbraw/zinc/42/23/60/599422360.db2.gz YHELCCFMMVWCBL-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM CN(C)c1ncccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821590834 599473677 /nfs/dbraw/zinc/47/36/77/599473677.db2.gz IKQLEPJMSXDZQM-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM CN(C)c1ncccc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821590834 599473678 /nfs/dbraw/zinc/47/36/78/599473678.db2.gz IKQLEPJMSXDZQM-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM COC(=O)CC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821659279 599490985 /nfs/dbraw/zinc/49/09/85/599490985.db2.gz YANVBYAWGRSMIR-UHFFFAOYSA-N -1 3 397.395 2.103 20 5 GEBDHM COC(=O)CC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821659279 599490988 /nfs/dbraw/zinc/49/09/88/599490988.db2.gz YANVBYAWGRSMIR-UHFFFAOYSA-N -1 3 397.395 2.103 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(n4ccnc4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643871 599509848 /nfs/dbraw/zinc/50/98/48/599509848.db2.gz DNNWOHYRQDNJNO-UHFFFAOYSA-N -1 3 391.395 2.361 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(n4ccnc4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643871 599509851 /nfs/dbraw/zinc/50/98/51/599509851.db2.gz DNNWOHYRQDNJNO-UHFFFAOYSA-N -1 3 391.395 2.361 20 5 GEBDHM Cc1nn(C)c(C)c1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822491512 599512545 /nfs/dbraw/zinc/51/25/45/599512545.db2.gz BNFCYXXAURGDIG-UHFFFAOYSA-N -1 3 379.384 2.286 20 5 GEBDHM Cc1nn(C)c(C)c1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822491512 599512547 /nfs/dbraw/zinc/51/25/47/599512547.db2.gz BNFCYXXAURGDIG-UHFFFAOYSA-N -1 3 379.384 2.286 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(c4cn[nH]c4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643844 599512862 /nfs/dbraw/zinc/51/28/62/599512862.db2.gz CQLRLUIZEDWTPE-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC(c4cn[nH]c4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643844 599512864 /nfs/dbraw/zinc/51/28/64/599512864.db2.gz CQLRLUIZEDWTPE-UHFFFAOYSA-N -1 3 391.395 2.430 20 5 GEBDHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738223343 599517828 /nfs/dbraw/zinc/51/78/28/599517828.db2.gz HUKMHLWVKIWQIX-UHFFFAOYSA-N -1 3 389.759 2.092 20 5 GEBDHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738223343 599517830 /nfs/dbraw/zinc/51/78/30/599517830.db2.gz HUKMHLWVKIWQIX-UHFFFAOYSA-N -1 3 389.759 2.092 20 5 GEBDHM CC(C)(C)NC(=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819922054 599520576 /nfs/dbraw/zinc/52/05/76/599520576.db2.gz FUVGUYKRCMPNPF-UHFFFAOYSA-N -1 3 384.400 2.040 20 5 GEBDHM CC(C)(C)NC(=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819922054 599520577 /nfs/dbraw/zinc/52/05/77/599520577.db2.gz FUVGUYKRCMPNPF-UHFFFAOYSA-N -1 3 384.400 2.040 20 5 GEBDHM C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000820390824 599521573 /nfs/dbraw/zinc/52/15/73/599521573.db2.gz LMMBBZPPCNMGLL-SNVBAGLBSA-N -1 3 396.363 2.037 20 5 GEBDHM C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000820390824 599521576 /nfs/dbraw/zinc/52/15/76/599521576.db2.gz LMMBBZPPCNMGLL-SNVBAGLBSA-N -1 3 396.363 2.037 20 5 GEBDHM C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820327591 599523497 /nfs/dbraw/zinc/52/34/97/599523497.db2.gz HPMHMVANICINRR-LBPRGKRZSA-N -1 3 382.380 2.421 20 5 GEBDHM C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820327591 599523501 /nfs/dbraw/zinc/52/35/01/599523501.db2.gz HPMHMVANICINRR-LBPRGKRZSA-N -1 3 382.380 2.421 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826272723 607385340 /nfs/dbraw/zinc/38/53/40/607385340.db2.gz YECZTLKSNVWUKU-UHFFFAOYSA-N -1 3 396.363 2.187 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826272723 607385341 /nfs/dbraw/zinc/38/53/41/607385341.db2.gz YECZTLKSNVWUKU-UHFFFAOYSA-N -1 3 396.363 2.187 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823323410 599631747 /nfs/dbraw/zinc/63/17/47/599631747.db2.gz NARNMQDWIJKIJH-UHFFFAOYSA-N -1 3 379.258 2.441 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823323410 599631748 /nfs/dbraw/zinc/63/17/48/599631748.db2.gz NARNMQDWIJKIJH-UHFFFAOYSA-N -1 3 379.258 2.441 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000826251556 607386500 /nfs/dbraw/zinc/38/65/00/607386500.db2.gz SVEMAAHSSIMPFG-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000826251556 607386502 /nfs/dbraw/zinc/38/65/02/607386502.db2.gz SVEMAAHSSIMPFG-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826252099 607386597 /nfs/dbraw/zinc/38/65/97/607386597.db2.gz ODIYLVBRZLMJEJ-UHFFFAOYSA-N -1 3 396.363 2.187 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826252099 607386600 /nfs/dbraw/zinc/38/66/00/607386600.db2.gz ODIYLVBRZLMJEJ-UHFFFAOYSA-N -1 3 396.363 2.187 20 5 GEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826442693 607456445 /nfs/dbraw/zinc/45/64/45/607456445.db2.gz GYTCKNVWCKYAGF-UHFFFAOYSA-N -1 3 379.380 2.263 20 5 GEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826442693 607456447 /nfs/dbraw/zinc/45/64/47/607456447.db2.gz GYTCKNVWCKYAGF-UHFFFAOYSA-N -1 3 379.380 2.263 20 5 GEBDHM COc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1-c1nnn[n-]1 ZINC000826195543 607484487 /nfs/dbraw/zinc/48/44/87/607484487.db2.gz XPCQQNDEUCWRBK-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1-c1nn[n-]n1 ZINC000826195543 607484488 /nfs/dbraw/zinc/48/44/88/607484488.db2.gz XPCQQNDEUCWRBK-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM CCOc1ncccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825658753 607522817 /nfs/dbraw/zinc/52/28/17/607522817.db2.gz JSYOCNHWVNZSDU-UHFFFAOYSA-N -1 3 389.759 2.474 20 5 GEBDHM CCOc1ncccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825658753 607522819 /nfs/dbraw/zinc/52/28/19/607522819.db2.gz JSYOCNHWVNZSDU-UHFFFAOYSA-N -1 3 389.759 2.474 20 5 GEBDHM O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826410058 607524601 /nfs/dbraw/zinc/52/46/01/607524601.db2.gz ZTOIAEXMGXDUPC-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826410058 607524602 /nfs/dbraw/zinc/52/46/02/607524602.db2.gz ZTOIAEXMGXDUPC-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM COc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203959 607558255 /nfs/dbraw/zinc/55/82/55/607558255.db2.gz OJALBXKRJWHYOO-UHFFFAOYSA-N -1 3 394.351 2.044 20 5 GEBDHM COc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826203959 607558257 /nfs/dbraw/zinc/55/82/57/607558257.db2.gz OJALBXKRJWHYOO-UHFFFAOYSA-N -1 3 394.351 2.044 20 5 GEBDHM COc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1-c1nnn[n-]1 ZINC000826200683 607579812 /nfs/dbraw/zinc/57/98/12/607579812.db2.gz CWLWDXBJCALQCI-UHFFFAOYSA-N -1 3 394.347 2.460 20 5 GEBDHM COc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1-c1nn[n-]n1 ZINC000826200683 607579813 /nfs/dbraw/zinc/57/98/13/607579813.db2.gz CWLWDXBJCALQCI-UHFFFAOYSA-N -1 3 394.347 2.460 20 5 GEBDHM COc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826200857 607585091 /nfs/dbraw/zinc/58/50/91/607585091.db2.gz MNJNCKLJJAHZCB-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826200857 607585092 /nfs/dbraw/zinc/58/50/92/607585092.db2.gz MNJNCKLJJAHZCB-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(COC(=O)CCOc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826204848 607602310 /nfs/dbraw/zinc/60/23/10/607602310.db2.gz BCOPKHMSEYWHPL-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM COc1ccc(COC(=O)CCOc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826204848 607602313 /nfs/dbraw/zinc/60/23/13/607602313.db2.gz BCOPKHMSEYWHPL-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826283375 607664290 /nfs/dbraw/zinc/66/42/90/607664290.db2.gz PKYBBFBPTAZKFT-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826283375 607664292 /nfs/dbraw/zinc/66/42/92/607664292.db2.gz PKYBBFBPTAZKFT-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826498096 607677976 /nfs/dbraw/zinc/67/79/76/607677976.db2.gz HOAYZKWOAHSXFR-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499361 607740198 /nfs/dbraw/zinc/74/01/98/607740198.db2.gz FYFCSIAJTUMCDD-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499361 607740199 /nfs/dbraw/zinc/74/01/99/607740199.db2.gz FYFCSIAJTUMCDD-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819940259 606060927 /nfs/dbraw/zinc/06/09/27/606060927.db2.gz UXKYTEJFXUGGAX-GFCCVEGCSA-N -1 3 389.416 2.268 20 5 GEBDHM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819940259 606060930 /nfs/dbraw/zinc/06/09/30/606060930.db2.gz UXKYTEJFXUGGAX-GFCCVEGCSA-N -1 3 389.416 2.268 20 5 GEBDHM CCc1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821491964 606234207 /nfs/dbraw/zinc/23/42/07/606234207.db2.gz DYQWVXMACOSVOU-UHFFFAOYSA-N -1 3 375.366 2.105 20 5 GEBDHM CCc1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821491964 606234208 /nfs/dbraw/zinc/23/42/08/606234208.db2.gz DYQWVXMACOSVOU-UHFFFAOYSA-N -1 3 375.366 2.105 20 5 GEBDHM Cc1c(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cccc1[N+](=O)[O-] ZINC000822116053 606243877 /nfs/dbraw/zinc/24/38/77/606243877.db2.gz LOVSRRUKJWTZJG-LBPRGKRZSA-N -1 3 385.409 2.362 20 5 GEBDHM Cc1c(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cccc1[N+](=O)[O-] ZINC000822116053 606243878 /nfs/dbraw/zinc/24/38/78/606243878.db2.gz LOVSRRUKJWTZJG-LBPRGKRZSA-N -1 3 385.409 2.362 20 5 GEBDHM Cc1cnc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000822399581 606331385 /nfs/dbraw/zinc/33/13/85/606331385.db2.gz KCTAIOSNTCNXSI-UHFFFAOYSA-N -1 3 389.759 2.149 20 5 GEBDHM Cc1cnc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000822399581 606331386 /nfs/dbraw/zinc/33/13/86/606331386.db2.gz KCTAIOSNTCNXSI-UHFFFAOYSA-N -1 3 389.759 2.149 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648255 606362737 /nfs/dbraw/zinc/36/27/37/606362737.db2.gz FQRDIKNCKHWGJV-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648255 606362738 /nfs/dbraw/zinc/36/27/38/606362738.db2.gz FQRDIKNCKHWGJV-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2nnn[n-]2)c1 ZINC000823640031 606423653 /nfs/dbraw/zinc/42/36/53/606423653.db2.gz PVRBUGAWQYEXHH-NSHDSACASA-N -1 3 382.384 2.419 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2nn[n-]n2)c1 ZINC000823640031 606423655 /nfs/dbraw/zinc/42/36/55/606423655.db2.gz PVRBUGAWQYEXHH-NSHDSACASA-N -1 3 382.384 2.419 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000823634150 606644174 /nfs/dbraw/zinc/64/41/74/606644174.db2.gz BABZFEUQIBDGEL-UHFFFAOYSA-N -1 3 396.367 2.010 20 5 GEBDHM O=[N+]([O-])c1cc(N2CCN(c3ccc(Cl)cn3)CC2)ccc1-c1nnn[n-]1 ZINC000823634919 606646113 /nfs/dbraw/zinc/64/61/13/606646113.db2.gz OKHFLZIAYIBRFQ-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCN1c1ccccc1 ZINC000823513504 606646216 /nfs/dbraw/zinc/64/62/16/606646216.db2.gz URDPFZFBJCZNBF-OAHLLOKOSA-N -1 3 379.380 2.382 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000821701623 606660662 /nfs/dbraw/zinc/66/06/62/606660662.db2.gz WNAPULSPIGKWMB-UHFFFAOYSA-N -1 3 398.379 2.418 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000821701623 606660663 /nfs/dbraw/zinc/66/06/63/606660663.db2.gz WNAPULSPIGKWMB-UHFFFAOYSA-N -1 3 398.379 2.418 20 5 GEBDHM Cc1nccn1-c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000822477427 606702163 /nfs/dbraw/zinc/70/21/63/606702163.db2.gz LPGZXEGCNCGNPF-UHFFFAOYSA-N -1 3 395.358 2.415 20 5 GEBDHM Cc1nccn1-c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000822477427 606702165 /nfs/dbraw/zinc/70/21/65/606702165.db2.gz LPGZXEGCNCGNPF-UHFFFAOYSA-N -1 3 395.358 2.415 20 5 GEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823111170 606951036 /nfs/dbraw/zinc/95/10/36/606951036.db2.gz DOCNUFUYSQIIMC-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823111170 606951037 /nfs/dbraw/zinc/95/10/37/606951037.db2.gz DOCNUFUYSQIIMC-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639948 607038003 /nfs/dbraw/zinc/03/80/03/607038003.db2.gz NFAZAVCSRWNMBR-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639948 607038005 /nfs/dbraw/zinc/03/80/05/607038005.db2.gz NFAZAVCSRWNMBR-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823136075 607079604 /nfs/dbraw/zinc/07/96/04/607079604.db2.gz IWBCRMXDDZENNX-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823136075 607079605 /nfs/dbraw/zinc/07/96/05/607079605.db2.gz IWBCRMXDDZENNX-UHFFFAOYSA-N -1 3 397.326 2.007 20 5 GEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000823620441 607163539 /nfs/dbraw/zinc/16/35/39/607163539.db2.gz KZJZKKWNXZILLY-CYBMUJFWSA-N -1 3 384.400 2.402 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823041224 607193328 /nfs/dbraw/zinc/19/33/28/607193328.db2.gz VCOSNUUQZVHQMN-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823041224 607193329 /nfs/dbraw/zinc/19/33/29/607193329.db2.gz VCOSNUUQZVHQMN-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826497763 607811332 /nfs/dbraw/zinc/81/13/32/607811332.db2.gz TWGUQSWXURTWCJ-LJQANCHMSA-N -1 3 378.392 2.453 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826497763 607811333 /nfs/dbraw/zinc/81/13/33/607811333.db2.gz TWGUQSWXURTWCJ-LJQANCHMSA-N -1 3 378.392 2.453 20 5 GEBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ncccc12 ZINC000826498694 607869678 /nfs/dbraw/zinc/86/96/78/607869678.db2.gz FQXRJSYEXBOUFX-HNNXBMFYSA-N -1 3 378.348 2.436 20 5 GEBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000826498694 607869679 /nfs/dbraw/zinc/86/96/79/607869679.db2.gz FQXRJSYEXBOUFX-HNNXBMFYSA-N -1 3 378.348 2.436 20 5 GEBDHM CCOC(=O)c1ccnc(N2CCc3ccc(-c4nnn[n-]4)cc32)c1[N+](=O)[O-] ZINC000825565495 607935386 /nfs/dbraw/zinc/93/53/86/607935386.db2.gz SYVRIKWWFDRLNX-UHFFFAOYSA-N -1 3 381.352 2.041 20 5 GEBDHM CCOC(=O)c1ccnc(N2CCc3ccc(-c4nn[n-]n4)cc32)c1[N+](=O)[O-] ZINC000825565495 607935387 /nfs/dbraw/zinc/93/53/87/607935387.db2.gz SYVRIKWWFDRLNX-UHFFFAOYSA-N -1 3 381.352 2.041 20 5 GEBDHM O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826411599 607957871 /nfs/dbraw/zinc/95/78/71/607957871.db2.gz FPMKUHQDDHQRLP-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826411599 607957872 /nfs/dbraw/zinc/95/78/72/607957872.db2.gz FPMKUHQDDHQRLP-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826185237 607980555 /nfs/dbraw/zinc/98/05/55/607980555.db2.gz DGMSDHZHMWXUKE-UHFFFAOYSA-N -1 3 393.363 2.446 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826185237 607980556 /nfs/dbraw/zinc/98/05/56/607980556.db2.gz DGMSDHZHMWXUKE-UHFFFAOYSA-N -1 3 393.363 2.446 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2sccn21 ZINC000826497735 608052734 /nfs/dbraw/zinc/05/27/34/608052734.db2.gz SJHHLKYYVMGCBK-LBPRGKRZSA-N -1 3 398.408 2.062 20 5 GEBDHM O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2sccn21 ZINC000826497735 608052735 /nfs/dbraw/zinc/05/27/35/608052735.db2.gz SJHHLKYYVMGCBK-LBPRGKRZSA-N -1 3 398.408 2.062 20 5 GEBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826475236 608083182 /nfs/dbraw/zinc/08/31/82/608083182.db2.gz ZJCFNACQNJSXKA-CYBMUJFWSA-N -1 3 386.393 2.050 20 5 GEBDHM O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826475236 608083183 /nfs/dbraw/zinc/08/31/83/608083183.db2.gz ZJCFNACQNJSXKA-CYBMUJFWSA-N -1 3 386.393 2.050 20 5 GEBDHM COc1ccc(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000826191348 608099509 /nfs/dbraw/zinc/09/95/09/608099509.db2.gz DEVUJSCLXBKTRR-NSHDSACASA-N -1 3 399.411 2.478 20 5 GEBDHM COc1ccc(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000826191348 608099510 /nfs/dbraw/zinc/09/95/10/608099510.db2.gz DEVUJSCLXBKTRR-NSHDSACASA-N -1 3 399.411 2.478 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826416980 608121424 /nfs/dbraw/zinc/12/14/24/608121424.db2.gz YRJCJTZNDJGVIO-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000155721830 608121784 /nfs/dbraw/zinc/12/17/84/608121784.db2.gz NMQMQECXDGDPPV-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000155721830 608121785 /nfs/dbraw/zinc/12/17/85/608121785.db2.gz NMQMQECXDGDPPV-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826457798 608122610 /nfs/dbraw/zinc/12/26/10/608122610.db2.gz QJUNVEOIFWJAQC-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826457798 608122611 /nfs/dbraw/zinc/12/26/11/608122611.db2.gz QJUNVEOIFWJAQC-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826161879 608139062 /nfs/dbraw/zinc/13/90/62/608139062.db2.gz DAUPSVQUBOPNHP-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826161879 608139063 /nfs/dbraw/zinc/13/90/63/608139063.db2.gz DAUPSVQUBOPNHP-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826468319 608160537 /nfs/dbraw/zinc/16/05/37/608160537.db2.gz LEWLMXJXCIBYHH-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826468319 608160540 /nfs/dbraw/zinc/16/05/40/608160540.db2.gz LEWLMXJXCIBYHH-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000826456698 608215141 /nfs/dbraw/zinc/21/51/41/608215141.db2.gz SKRBOLOOAJWMLQ-UHFFFAOYSA-N -1 3 386.393 2.112 20 5 GEBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000826456698 608215142 /nfs/dbraw/zinc/21/51/42/608215142.db2.gz SKRBOLOOAJWMLQ-UHFFFAOYSA-N -1 3 386.393 2.112 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000826279047 608247035 /nfs/dbraw/zinc/24/70/35/608247035.db2.gz DCURMLUXAOTSQL-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000826279047 608247036 /nfs/dbraw/zinc/24/70/36/608247036.db2.gz DCURMLUXAOTSQL-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COc1ccccc1-c1nnn[n-]1)CC2 ZINC000826273299 608336606 /nfs/dbraw/zinc/33/66/06/608336606.db2.gz XMQHHQOJUJFYMX-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COc1ccccc1-c1nn[n-]n1)CC2 ZINC000826273299 608336607 /nfs/dbraw/zinc/33/66/07/608336607.db2.gz XMQHHQOJUJFYMX-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000826171314 608349082 /nfs/dbraw/zinc/34/90/82/608349082.db2.gz JLFVKPPEWNMTTA-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000826171314 608349084 /nfs/dbraw/zinc/34/90/84/608349084.db2.gz JLFVKPPEWNMTTA-UHFFFAOYSA-N -1 3 399.363 2.296 20 5 GEBDHM C[C@@H](N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553844 608391427 /nfs/dbraw/zinc/39/14/27/608391427.db2.gz IUYMPYOZBFQMEQ-ZWNOBZJWSA-N -1 3 399.436 2.293 20 5 GEBDHM C[C@@H](N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553844 608391429 /nfs/dbraw/zinc/39/14/29/608391429.db2.gz IUYMPYOZBFQMEQ-ZWNOBZJWSA-N -1 3 399.436 2.293 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473763 608489310 /nfs/dbraw/zinc/48/93/10/608489310.db2.gz NGLVZNZPVMIMCF-UHFFFAOYSA-N -1 3 377.364 2.099 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473763 608489312 /nfs/dbraw/zinc/48/93/12/608489312.db2.gz NGLVZNZPVMIMCF-UHFFFAOYSA-N -1 3 377.364 2.099 20 5 GEBDHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867305 608545483 /nfs/dbraw/zinc/54/54/83/608545483.db2.gz OZVCJVLBLFNOMF-YUMQZZPRSA-N -1 3 378.776 2.372 20 5 GEBDHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867305 608545485 /nfs/dbraw/zinc/54/54/85/608545485.db2.gz OZVCJVLBLFNOMF-YUMQZZPRSA-N -1 3 378.776 2.372 20 5 GEBDHM COc1cc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000826180658 608548344 /nfs/dbraw/zinc/54/83/44/608548344.db2.gz RJDJGNNTJBFGHL-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1cc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000826180658 608548345 /nfs/dbraw/zinc/54/83/45/608548345.db2.gz RJDJGNNTJBFGHL-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1ccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1[N+](=O)[O-] ZINC000826187254 608569854 /nfs/dbraw/zinc/56/98/54/608569854.db2.gz HSRNESNMOUDDHC-UHFFFAOYSA-N -1 3 395.379 2.310 20 5 GEBDHM COc1ccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1[N+](=O)[O-] ZINC000826187254 608569856 /nfs/dbraw/zinc/56/98/56/608569856.db2.gz HSRNESNMOUDDHC-UHFFFAOYSA-N -1 3 395.379 2.310 20 5 GEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000826358085 609239219 /nfs/dbraw/zinc/23/92/19/609239219.db2.gz DEGXZUKKSNRIPP-UHFFFAOYSA-N -1 3 392.173 2.128 20 5 GEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000826358085 609239220 /nfs/dbraw/zinc/23/92/20/609239220.db2.gz DEGXZUKKSNRIPP-UHFFFAOYSA-N -1 3 392.173 2.128 20 5 GEBDHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000826458818 609291968 /nfs/dbraw/zinc/29/19/68/609291968.db2.gz HLDPGCCRMQUEEX-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM COc1cccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c21 ZINC000826218282 609324409 /nfs/dbraw/zinc/32/44/09/609324409.db2.gz XFYJLCJPVQIWHJ-UHFFFAOYSA-N -1 3 380.368 2.314 20 5 GEBDHM COc1cccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c21 ZINC000826218282 609324411 /nfs/dbraw/zinc/32/44/11/609324411.db2.gz XFYJLCJPVQIWHJ-UHFFFAOYSA-N -1 3 380.368 2.314 20 5 GEBDHM CN(C[C@@H]1CCCC[C@@H]1O)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908540 609326078 /nfs/dbraw/zinc/32/60/78/609326078.db2.gz JCOMVXQJEABVRA-ZBEGNZNMSA-N -1 3 383.412 2.310 20 5 GEBDHM CN(C[C@@H]1CCCC[C@@H]1O)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825908540 609326080 /nfs/dbraw/zinc/32/60/80/609326080.db2.gz JCOMVXQJEABVRA-ZBEGNZNMSA-N -1 3 383.412 2.310 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826277024 609381693 /nfs/dbraw/zinc/38/16/93/609381693.db2.gz GFJPJNMSTASDAN-MRXNPFEDSA-N -1 3 393.363 2.215 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826277024 609381695 /nfs/dbraw/zinc/38/16/95/609381695.db2.gz GFJPJNMSTASDAN-MRXNPFEDSA-N -1 3 393.363 2.215 20 5 GEBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000826158937 609383618 /nfs/dbraw/zinc/38/36/18/609383618.db2.gz JRELEFSXIXYJPJ-UHFFFAOYSA-N -1 3 383.412 2.440 20 5 GEBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000826158937 609383620 /nfs/dbraw/zinc/38/36/20/609383620.db2.gz JRELEFSXIXYJPJ-UHFFFAOYSA-N -1 3 383.412 2.440 20 5 GEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465581 609635744 /nfs/dbraw/zinc/63/57/44/609635744.db2.gz SSYZPFFVNOWOEI-AWEZNQCLSA-N -1 3 389.755 2.205 20 5 GEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465581 609635745 /nfs/dbraw/zinc/63/57/45/609635745.db2.gz SSYZPFFVNOWOEI-AWEZNQCLSA-N -1 3 389.755 2.205 20 5 GEBDHM COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447178456 650000651 /nfs/dbraw/zinc/00/06/51/650000651.db2.gz UUINUTGCDBSDOA-UHFFFAOYSA-N -1 3 386.451 2.468 20 5 GEBDHM COc1cc2c(cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)O[C@H](C)C2 ZINC000448170634 650014290 /nfs/dbraw/zinc/01/42/90/650014290.db2.gz RCGDQAJUTYTKRV-SECBINFHSA-N -1 3 384.435 2.467 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(CO)cs2)c(C(F)(F)F)c1 ZINC000509772359 650500724 /nfs/dbraw/zinc/50/07/24/650500724.db2.gz JZONDMXARXAGMJ-UHFFFAOYSA-N -1 3 397.356 2.041 20 5 GEBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000510533202 650513280 /nfs/dbraw/zinc/51/32/80/650513280.db2.gz JUBZHKWFCDEXHH-OIBJUYFYSA-N -1 3 381.273 2.387 20 5 GEBDHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000490314589 650771271 /nfs/dbraw/zinc/77/12/71/650771271.db2.gz IKYGLNCXEXHVQV-UHFFFAOYSA-N -1 3 381.248 2.308 20 5 GEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000534830732 650781304 /nfs/dbraw/zinc/78/13/04/650781304.db2.gz RKRMQRGIIZDPJO-SNVBAGLBSA-N -1 3 376.740 2.148 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c(F)c1 ZINC000106889688 643242961 /nfs/dbraw/zinc/24/29/61/643242961.db2.gz XOVAMUQVJCFJHC-UHFFFAOYSA-N -1 3 376.312 2.369 20 5 GEBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000121132007 643628883 /nfs/dbraw/zinc/62/88/83/643628883.db2.gz BAYVDPHIILUAFX-ZDUSSCGKSA-N -1 3 376.843 2.496 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 ZINC000127241585 643765519 /nfs/dbraw/zinc/76/55/19/643765519.db2.gz JJPVGZRWTXXJAQ-QMMMGPOBSA-N -1 3 387.767 2.163 20 5 GEBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000183795939 645004017 /nfs/dbraw/zinc/00/40/17/645004017.db2.gz SEKQRQMTLVDORG-OCCSQVGLSA-N -1 3 381.479 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000249945157 645563437 /nfs/dbraw/zinc/56/34/37/645563437.db2.gz UFNGFSAYNXXTOE-MVWJERBFSA-N -1 3 380.344 2.459 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000269473071 646037879 /nfs/dbraw/zinc/03/78/79/646037879.db2.gz MCNZMWKTWYWECL-BDAKNGLRSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269499840 646041564 /nfs/dbraw/zinc/04/15/64/646041564.db2.gz WOPVIXPMKZXHSR-VIFPVBQESA-N -1 3 378.332 2.177 20 5 GEBDHM C[C@H](CO)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000270193249 646090075 /nfs/dbraw/zinc/09/00/75/646090075.db2.gz AXPYYXRLJRFPKO-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000416493052 648147353 /nfs/dbraw/zinc/14/73/53/648147353.db2.gz FYRYXYPVWCDDDW-GMSGAONNSA-N -1 3 392.302 2.297 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000416493059 648147454 /nfs/dbraw/zinc/14/74/54/648147454.db2.gz FYRYXYPVWCDDDW-XVKPBYJWSA-N -1 3 392.302 2.297 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c(Br)c1 ZINC000416642433 648198576 /nfs/dbraw/zinc/19/85/76/648198576.db2.gz CHYFVNHAFPAIGZ-ZJUUUORDSA-N -1 3 393.259 2.187 20 5 GEBDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000420759228 648452254 /nfs/dbraw/zinc/45/22/54/648452254.db2.gz HMJIXYDEXGCORB-JTQLQIEISA-N -1 3 378.834 2.111 20 5 GEBDHM CSCC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443484326 648879186 /nfs/dbraw/zinc/87/91/86/648879186.db2.gz CFZSAIZKVUZMTI-MRVPVSSYSA-N -1 3 388.389 2.006 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCO)CCC2)c(Br)c1 ZINC000443491868 648880074 /nfs/dbraw/zinc/88/00/74/648880074.db2.gz YVLHKVXXQHOUAX-UHFFFAOYSA-N -1 3 393.259 2.188 20 5 GEBDHM O=C(Nc1cnc2c(Br)cccn12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000556898129 651256671 /nfs/dbraw/zinc/25/66/71/651256671.db2.gz VKKFUADPKRKLBB-UHFFFAOYSA-N -1 3 378.142 2.358 20 5 GEBDHM CC(C)[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611281422 651717260 /nfs/dbraw/zinc/71/72/60/651717260.db2.gz BSBBLWJZEMPLCX-LBPRGKRZSA-N -1 3 375.472 2.119 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1cnn(C)c1 ZINC000742301921 651977015 /nfs/dbraw/zinc/97/70/15/651977015.db2.gz CCJLXWAEGSGQKO-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000746671887 652122407 /nfs/dbraw/zinc/12/24/07/652122407.db2.gz ZEYRGLHERDYWRB-UHFFFAOYSA-N -1 3 378.332 2.378 20 5 GEBDHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000751222724 652331982 /nfs/dbraw/zinc/33/19/82/652331982.db2.gz PHMMQJBSDDHATF-CQSZACIVSA-N -1 3 386.813 2.269 20 5 GEBDHM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000751287909 652338671 /nfs/dbraw/zinc/33/86/71/652338671.db2.gz IYWBULUUVWYVHA-AWEZNQCLSA-N -1 3 386.813 2.269 20 5 GEBDHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000751982374 652375285 /nfs/dbraw/zinc/37/52/85/652375285.db2.gz MLXOETRNGBQODD-GFCCVEGCSA-N -1 3 376.818 2.258 20 5 GEBDHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000758420707 652540751 /nfs/dbraw/zinc/54/07/51/652540751.db2.gz FDISZRQKIQYYDF-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1cnccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000588068224 652546801 /nfs/dbraw/zinc/54/68/01/652546801.db2.gz RDMIXBNNMZXYAN-UHFFFAOYSA-N -1 3 391.236 2.109 20 5 GEBDHM CC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)OCCO1 ZINC000759115622 652563624 /nfs/dbraw/zinc/56/36/24/652563624.db2.gz NGPKLIAXOHJLCJ-UHFFFAOYSA-N -1 3 384.332 2.045 20 5 GEBDHM CC(C)(C)N1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000595361645 652714937 /nfs/dbraw/zinc/71/49/37/652714937.db2.gz YVAIOYODJZIADY-JTQLQIEISA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599484030 652875915 /nfs/dbraw/zinc/87/59/15/652875915.db2.gz WTBYFIRQBWZREA-JOYOIKCWSA-N -1 3 380.344 2.459 20 5 GEBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000770109131 653198440 /nfs/dbraw/zinc/19/84/40/653198440.db2.gz FRZNAJJKCBCMGW-LBPRGKRZSA-N -1 3 378.834 2.255 20 5 GEBDHM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N(CC)CC ZINC000778595631 653448784 /nfs/dbraw/zinc/44/87/84/653448784.db2.gz MMHMLZMZTQHYFR-GFCCVEGCSA-N -1 3 377.850 2.174 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C(N)=O)c2ccccc2)c1 ZINC000779873084 653613846 /nfs/dbraw/zinc/61/38/46/653613846.db2.gz HJWWTPQGJCLFGC-CQSZACIVSA-N -1 3 383.813 2.062 20 5 GEBDHM CC1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814988807 653642109 /nfs/dbraw/zinc/64/21/09/653642109.db2.gz XFSIVSQYZFLEEE-UHFFFAOYSA-N -1 3 379.841 2.398 20 5 GEBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025778 653645510 /nfs/dbraw/zinc/64/55/10/653645510.db2.gz KJNCVUCDPPVVOI-QPUJVOFHSA-N -1 3 377.825 2.148 20 5 GEBDHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000815094506 653651414 /nfs/dbraw/zinc/65/14/14/653651414.db2.gz KZJZCZJJYFHFLE-TVQRCGJNSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCOC2)c1 ZINC000784452124 653694648 /nfs/dbraw/zinc/69/46/48/653694648.db2.gz PEMYLDALKGKOEJ-VIFPVBQESA-N -1 3 379.232 2.062 20 5 GEBDHM CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])OCCCO1 ZINC000841518461 653725636 /nfs/dbraw/zinc/72/56/36/653725636.db2.gz DQNAWEHYWPUDGF-UHFFFAOYSA-N -1 3 384.332 2.045 20 5 GEBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841550578 653731569 /nfs/dbraw/zinc/73/15/69/653731569.db2.gz SGNNCWQNVYKSEU-MNOVXSKESA-N -1 3 379.232 2.203 20 5 GEBDHM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000820784981 653782934 /nfs/dbraw/zinc/78/29/34/653782934.db2.gz FWXQMDVDCHPTOE-UHFFFAOYSA-N -1 3 376.406 2.444 20 5 GEBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790335150 653789458 /nfs/dbraw/zinc/78/94/58/653789458.db2.gz FPHYSBFUYHMSOP-UHFFFAOYSA-N -1 3 378.288 2.036 20 5 GEBDHM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790402662 653790930 /nfs/dbraw/zinc/79/09/30/653790930.db2.gz DUSXYFCXVCPVMG-UHFFFAOYSA-N -1 3 380.201 2.320 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCSC2)c1 ZINC000790449293 653792187 /nfs/dbraw/zinc/79/21/87/653792187.db2.gz GMDZPDJAZHIFBW-MRVPVSSYSA-N -1 3 381.273 2.389 20 5 GEBDHM CN(C)CCCS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000867405696 653928486 /nfs/dbraw/zinc/92/84/86/653928486.db2.gz NXZXXPBXBUAXIA-LBPRGKRZSA-N -1 3 387.355 2.208 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)O1 ZINC000867609224 653961486 /nfs/dbraw/zinc/96/14/86/653961486.db2.gz MXPJRNSYAHIBDA-VHSKPIJISA-N -1 3 379.232 2.202 20 5 GEBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000849436480 654034486 /nfs/dbraw/zinc/03/44/86/654034486.db2.gz GJSPAALSTXJJPX-CZMCAQCFSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225856 654054877 /nfs/dbraw/zinc/05/48/77/654054877.db2.gz OXHFQBHERFJTGS-JTQLQIEISA-N -1 3 379.841 2.398 20 5 GEBDHM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000921421939 654266198 /nfs/dbraw/zinc/26/61/98/654266198.db2.gz NRRJLDBEFYBKTG-MRVPVSSYSA-N -1 3 381.248 2.449 20 5 GEBDHM CCc1ccc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921854586 654331093 /nfs/dbraw/zinc/33/10/93/654331093.db2.gz NPSQDCHNQSIANT-MFKMUULPSA-N -1 3 382.360 2.403 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl)OCCO2 ZINC000856750271 654490754 /nfs/dbraw/zinc/49/07/54/654490754.db2.gz PYUROKMBDJCQTA-MRVPVSSYSA-N -1 3 397.236 2.228 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)cc1Br ZINC000152235936 531537802 /nfs/dbraw/zinc/53/78/02/531537802.db2.gz BICIICGFXVLJFE-AOOOYVTPSA-N -1 3 393.259 2.187 20 5 GEBDHM COCCC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000152783789 531568630 /nfs/dbraw/zinc/56/86/30/531568630.db2.gz TWXORMKFIPOYBV-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000027598021 531625221 /nfs/dbraw/zinc/62/52/21/531625221.db2.gz YOZHYSIYMTYHSC-UHFFFAOYSA-N -1 3 385.785 2.157 20 5 GEBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000120706941 531990029 /nfs/dbraw/zinc/99/00/29/531990029.db2.gz ZBKDLLTYUWCNRN-DTWKUNHWSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000120707301 531990152 /nfs/dbraw/zinc/99/01/52/531990152.db2.gz ZBKDLLTYUWCNRN-IUCAKERBSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000121649337 532040544 /nfs/dbraw/zinc/04/05/44/532040544.db2.gz SPKUTJBDOYTXCR-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000123260336 532096965 /nfs/dbraw/zinc/09/69/65/532096965.db2.gz CZAXUCSPRUSUNV-AWEZNQCLSA-N -1 3 383.495 2.416 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)n1 ZINC000178160638 532195446 /nfs/dbraw/zinc/19/54/46/532195446.db2.gz BMLAOBJPZZFQGA-UHFFFAOYSA-N -1 3 382.467 2.307 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)ccc1Br ZINC000178308601 532199400 /nfs/dbraw/zinc/19/94/00/532199400.db2.gz BFOXFGCWMBKYJF-VIFPVBQESA-N -1 3 379.232 2.062 20 5 GEBDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000188352367 532347891 /nfs/dbraw/zinc/34/78/91/532347891.db2.gz VGVFDEZQOXTUSF-ZDUSSCGKSA-N -1 3 384.841 2.439 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)cc1Br ZINC000188929850 532350302 /nfs/dbraw/zinc/35/03/02/532350302.db2.gz VTLTXZVFMRAXBC-CABZTGNLSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)c1C ZINC000589922726 532364339 /nfs/dbraw/zinc/36/43/39/532364339.db2.gz NFMURGIXGVNFGP-GWCFXTLKSA-N -1 3 382.360 2.336 20 5 GEBDHM Cc1c(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000559076323 532400389 /nfs/dbraw/zinc/40/03/89/532400389.db2.gz TXMYMYWJBBEAGP-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM CN(C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000465506561 532416982 /nfs/dbraw/zinc/41/69/82/532416982.db2.gz SGOUIGLKOVVNFA-UHFFFAOYSA-N -1 3 389.861 2.318 20 5 GEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000295197887 532417469 /nfs/dbraw/zinc/41/74/69/532417469.db2.gz MMMWCXFZPASTCD-UHFFFAOYSA-N -1 3 387.849 2.116 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000467075254 532437485 /nfs/dbraw/zinc/43/74/85/532437485.db2.gz YHVVJOISXPUIAX-LLVKDONJSA-N -1 3 384.435 2.473 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000195239158 532472276 /nfs/dbraw/zinc/47/22/76/532472276.db2.gz IYOVYDNVFSKGMU-UHFFFAOYSA-N -1 3 385.339 2.039 20 5 GEBDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)(F)F ZINC000594701219 532520887 /nfs/dbraw/zinc/52/08/87/532520887.db2.gz WOULVOOKBHNMJO-NSHDSACASA-N -1 3 384.332 2.066 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCO[C@H]1CC1(F)F ZINC000594840085 532532832 /nfs/dbraw/zinc/53/28/32/532532832.db2.gz KTQKEXVYHCZKQY-JTQLQIEISA-N -1 3 390.286 2.316 20 5 GEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000595356901 532559829 /nfs/dbraw/zinc/55/98/29/532559829.db2.gz VMIZLSSRZAOXFB-JTQLQIEISA-N -1 3 392.275 2.120 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000376153225 532598870 /nfs/dbraw/zinc/59/88/70/532598870.db2.gz YAFHPQJGSJQDTQ-NHYWBVRUSA-N -1 3 390.845 2.173 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c1C ZINC000434762198 532602215 /nfs/dbraw/zinc/60/22/15/532602215.db2.gz GDBUNLJZKPCQNR-UHFFFAOYSA-N -1 3 388.339 2.407 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)cc1C ZINC000434761188 532602302 /nfs/dbraw/zinc/60/23/02/532602302.db2.gz VZECBGNHIRBZBD-UHFFFAOYSA-N -1 3 388.339 2.407 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000284958057 532634910 /nfs/dbraw/zinc/63/49/10/532634910.db2.gz AHBMTOWKNOYINA-VIFPVBQESA-N -1 3 377.825 2.150 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599459441 532660644 /nfs/dbraw/zinc/66/06/44/532660644.db2.gz JYDQPVBIHXAJKA-LOKDSWTASA-N -1 3 393.259 2.448 20 5 GEBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000567868945 532668401 /nfs/dbraw/zinc/66/84/01/532668401.db2.gz LDIJULGSIIBTQZ-JTQLQIEISA-N -1 3 381.376 2.234 20 5 GEBDHM Cn1ncc(C(F)(F)F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599370732 532659246 /nfs/dbraw/zinc/65/92/46/532659246.db2.gz WZFDNJOXGRZIHR-UHFFFAOYSA-N -1 3 398.750 2.479 20 5 GEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000599372134 532659513 /nfs/dbraw/zinc/65/95/13/532659513.db2.gz IJUYKLSGGHNMRM-GFCCVEGCSA-N -1 3 378.332 2.014 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1 ZINC000439188588 532683141 /nfs/dbraw/zinc/68/31/41/532683141.db2.gz KMOXIVBUERYRMQ-CQSZACIVSA-N -1 3 378.834 2.460 20 5 GEBDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000285748399 532703952 /nfs/dbraw/zinc/70/39/52/532703952.db2.gz WIXURGDNPNQCSA-ZJUUUORDSA-N -1 3 393.259 2.308 20 5 GEBDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443281589 532744398 /nfs/dbraw/zinc/74/43/98/532744398.db2.gz KZSQHEUKQWLXDB-LLVKDONJSA-N -1 3 395.275 2.433 20 5 GEBDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443281591 532744862 /nfs/dbraw/zinc/74/48/62/532744862.db2.gz KZSQHEUKQWLXDB-NSHDSACASA-N -1 3 395.275 2.433 20 5 GEBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443289921 532744952 /nfs/dbraw/zinc/74/49/52/532744952.db2.gz ALVFYKMECRYVED-TVQRCGJNSA-N -1 3 395.275 2.433 20 5 GEBDHM CN(C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000445744486 532754052 /nfs/dbraw/zinc/75/40/52/532754052.db2.gz VTQILVCICCSFQX-UHFFFAOYSA-N -1 3 381.376 2.376 20 5 GEBDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000510485979 532774289 /nfs/dbraw/zinc/77/42/89/532774289.db2.gz SUOSINFLAYZWCP-ZJUUUORDSA-N -1 3 393.259 2.308 20 5 GEBDHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000271659405 532811336 /nfs/dbraw/zinc/81/13/36/532811336.db2.gz JKJAOYNBWJJIRH-UHFFFAOYSA-N -1 3 395.275 2.434 20 5 GEBDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000330979312 532831563 /nfs/dbraw/zinc/83/15/63/532831563.db2.gz GKIRNPAAYYVHJT-SCZZXKLOSA-N -1 3 379.232 2.203 20 5 GEBDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000331009932 532832219 /nfs/dbraw/zinc/83/22/19/532832219.db2.gz RQMHTYJMDYAIBJ-GXSJLCMTSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1nnc(CC[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1 ZINC000290045143 532871349 /nfs/dbraw/zinc/87/13/49/532871349.db2.gz AXLQFEIUHOJJPF-UHFFFAOYSA-N -1 3 376.847 2.238 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCn1cccn1 ZINC000416377882 532873790 /nfs/dbraw/zinc/87/37/90/532873790.db2.gz YGBQMXVURMCYDM-UHFFFAOYSA-N -1 3 378.332 2.179 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000416399669 532876105 /nfs/dbraw/zinc/87/61/05/532876105.db2.gz ICBAQLYEOSISGA-NSHDSACASA-N -1 3 385.423 2.268 20 5 GEBDHM CCOCc1nc([C@@H](C)[N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])no1 ZINC000290633336 532885952 /nfs/dbraw/zinc/88/59/52/532885952.db2.gz HFZIAAKIFYWPMQ-SSDOTTSWSA-N -1 3 376.416 2.152 20 5 GEBDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC000276006546 532887244 /nfs/dbraw/zinc/88/72/44/532887244.db2.gz ISSGWJFDASYXNZ-UHFFFAOYSA-N -1 3 384.435 2.272 20 5 GEBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)OCCCO1 ZINC000277008922 532905851 /nfs/dbraw/zinc/90/58/51/532905851.db2.gz VIEZXXWQAZUYOX-UHFFFAOYSA-N -1 3 384.332 2.045 20 5 GEBDHM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000368744610 532934063 /nfs/dbraw/zinc/93/40/63/532934063.db2.gz OSMHSSCRYKCWHC-LBPRGKRZSA-N -1 3 382.829 2.182 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])cc1F ZINC000737032622 598937953 /nfs/dbraw/zinc/93/79/53/598937953.db2.gz NIZSWAZPVRGLEM-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])cc1F ZINC000737032622 598937955 /nfs/dbraw/zinc/93/79/55/598937955.db2.gz NIZSWAZPVRGLEM-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2cc(F)ccc2N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738371857 598975901 /nfs/dbraw/zinc/97/59/01/598975901.db2.gz YEFUDMNAXKNVSA-UHFFFAOYSA-N -1 3 399.386 2.363 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2cc(F)ccc2N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738371857 598975902 /nfs/dbraw/zinc/97/59/02/598975902.db2.gz YEFUDMNAXKNVSA-UHFFFAOYSA-N -1 3 399.386 2.363 20 5 GEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774553 599039527 /nfs/dbraw/zinc/03/95/27/599039527.db2.gz FRAKQGDWYQPOHZ-ZUZCIYMTSA-N -1 3 385.359 2.275 20 5 GEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820774553 599039530 /nfs/dbraw/zinc/03/95/30/599039530.db2.gz FRAKQGDWYQPOHZ-ZUZCIYMTSA-N -1 3 385.359 2.275 20 5 GEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774551 599039808 /nfs/dbraw/zinc/03/98/08/599039808.db2.gz FRAKQGDWYQPOHZ-BONVTDFDSA-N -1 3 385.359 2.275 20 5 GEBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820774551 599039810 /nfs/dbraw/zinc/03/98/10/599039810.db2.gz FRAKQGDWYQPOHZ-BONVTDFDSA-N -1 3 385.359 2.275 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738368647 599045266 /nfs/dbraw/zinc/04/52/66/599045266.db2.gz HBFDWHARLBDNSV-NSHDSACASA-N -1 3 379.739 2.108 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738368647 599045269 /nfs/dbraw/zinc/04/52/69/599045269.db2.gz HBFDWHARLBDNSV-NSHDSACASA-N -1 3 379.739 2.108 20 5 GEBDHM COc1cc(F)ccc1N1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737053631 599061805 /nfs/dbraw/zinc/06/18/05/599061805.db2.gz JGGDUSIISMVKOW-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1cc(F)ccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737053631 599061808 /nfs/dbraw/zinc/06/18/08/599061808.db2.gz JGGDUSIISMVKOW-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1ccc(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)c([N+](=O)[O-])c1 ZINC000821831768 607258223 /nfs/dbraw/zinc/25/82/23/607258223.db2.gz LVLDQNBXEWDSKY-UHFFFAOYSA-N -1 3 383.368 2.143 20 5 GEBDHM COc1ccc(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)c([N+](=O)[O-])c1 ZINC000821831768 607258224 /nfs/dbraw/zinc/25/82/24/607258224.db2.gz LVLDQNBXEWDSKY-UHFFFAOYSA-N -1 3 383.368 2.143 20 5 GEBDHM COCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988584 599113697 /nfs/dbraw/zinc/11/36/97/599113697.db2.gz OXNSWORMRCPPOG-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM COCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988584 599113698 /nfs/dbraw/zinc/11/36/98/599113698.db2.gz OXNSWORMRCPPOG-UHFFFAOYSA-N -1 3 398.379 2.077 20 5 GEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000738314497 599165528 /nfs/dbraw/zinc/16/55/28/599165528.db2.gz UGSXYVCGONUBQA-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000738314497 599165531 /nfs/dbraw/zinc/16/55/31/599165531.db2.gz UGSXYVCGONUBQA-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM COc1ccc(OCCOc2ccc(-c3nnn[n-]3)c(F)c2)c([N+](=O)[O-])c1 ZINC000737112694 599166618 /nfs/dbraw/zinc/16/66/18/599166618.db2.gz YKWYUVSVVZEZPH-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COc1ccc(OCCOc2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])c1 ZINC000737112694 599166622 /nfs/dbraw/zinc/16/66/22/599166622.db2.gz YKWYUVSVVZEZPH-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988020 599203873 /nfs/dbraw/zinc/20/38/73/599203873.db2.gz JITQDDLKBAJZFS-UHFFFAOYSA-N -1 3 386.343 2.207 20 5 GEBDHM COCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988020 599203874 /nfs/dbraw/zinc/20/38/74/599203874.db2.gz JITQDDLKBAJZFS-UHFFFAOYSA-N -1 3 386.343 2.207 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000822212646 607327971 /nfs/dbraw/zinc/32/79/71/607327971.db2.gz ALVGUBSNNOUOIV-UHFFFAOYSA-N -1 3 378.345 2.023 20 5 GEBDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000821821172 607346941 /nfs/dbraw/zinc/34/69/41/607346941.db2.gz AVQNDAHRGUYPQW-UHFFFAOYSA-N -1 3 386.368 2.413 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737986270 598299636 /nfs/dbraw/zinc/29/96/36/598299636.db2.gz GPJKTZHKPKBJQY-UHFFFAOYSA-N -1 3 395.354 2.185 20 5 GEBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737986270 598299639 /nfs/dbraw/zinc/29/96/39/598299639.db2.gz GPJKTZHKPKBJQY-UHFFFAOYSA-N -1 3 395.354 2.185 20 5 GEBDHM COCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000737016392 598499318 /nfs/dbraw/zinc/49/93/18/598499318.db2.gz XNBFZXZMIJIIPW-UHFFFAOYSA-N -1 3 375.320 2.078 20 5 GEBDHM COCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000737016392 598499321 /nfs/dbraw/zinc/49/93/21/598499321.db2.gz XNBFZXZMIJIIPW-UHFFFAOYSA-N -1 3 375.320 2.078 20 5 GEBDHM CC(C)c1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)no1 ZINC000735940604 598500100 /nfs/dbraw/zinc/50/01/00/598500100.db2.gz RWQIBAVFFLDMNY-JTQLQIEISA-N -1 3 385.388 2.060 20 5 GEBDHM CC(C)c1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)no1 ZINC000735940604 598500102 /nfs/dbraw/zinc/50/01/02/598500102.db2.gz RWQIBAVFFLDMNY-JTQLQIEISA-N -1 3 385.388 2.060 20 5 GEBDHM O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738371697 598551961 /nfs/dbraw/zinc/55/19/61/598551961.db2.gz WVKBVTKCJBDAKB-UHFFFAOYSA-N -1 3 385.359 2.494 20 5 GEBDHM O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000738371697 598551962 /nfs/dbraw/zinc/55/19/62/598551962.db2.gz WVKBVTKCJBDAKB-UHFFFAOYSA-N -1 3 385.359 2.494 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000737282757 598560966 /nfs/dbraw/zinc/56/09/66/598560966.db2.gz IQNONIUDSPSVHG-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000737282757 598560969 /nfs/dbraw/zinc/56/09/69/598560969.db2.gz IQNONIUDSPSVHG-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736296062 598735492 /nfs/dbraw/zinc/73/54/92/598735492.db2.gz CMIXAGAHQFWSKP-LLVKDONJSA-N -1 3 380.364 2.132 20 5 GEBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1c1ccccc1F ZINC000738298797 598775700 /nfs/dbraw/zinc/77/57/00/598775700.db2.gz YCZRXYDURDFPIL-ZDUSSCGKSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1c1ccccc1F ZINC000738298797 598775702 /nfs/dbraw/zinc/77/57/02/598775702.db2.gz YCZRXYDURDFPIL-ZDUSSCGKSA-N -1 3 383.343 2.131 20 5 GEBDHM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736786684 598798776 /nfs/dbraw/zinc/79/87/76/598798776.db2.gz BSJFDFFBMBMOEZ-UHFFFAOYSA-N -1 3 389.322 2.128 20 5 GEBDHM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736786684 598798777 /nfs/dbraw/zinc/79/87/77/598798777.db2.gz BSJFDFFBMBMOEZ-UHFFFAOYSA-N -1 3 389.322 2.128 20 5 GEBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1sccc1-c1nnn[n-]1 ZINC000737982777 598802729 /nfs/dbraw/zinc/80/27/29/598802729.db2.gz QAKKCZUOQJTSSW-UHFFFAOYSA-N -1 3 396.392 2.339 20 5 GEBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1sccc1-c1nn[n-]n1 ZINC000737982777 598802730 /nfs/dbraw/zinc/80/27/30/598802730.db2.gz QAKKCZUOQJTSSW-UHFFFAOYSA-N -1 3 396.392 2.339 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000738150842 598806499 /nfs/dbraw/zinc/80/64/99/598806499.db2.gz JMIRSIGFEQSZNM-UHFFFAOYSA-N -1 3 394.395 2.413 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000738150842 598806501 /nfs/dbraw/zinc/80/65/01/598806501.db2.gz JMIRSIGFEQSZNM-UHFFFAOYSA-N -1 3 394.395 2.413 20 5 GEBDHM CN(Cc1ccccc1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821615732 599319896 /nfs/dbraw/zinc/31/98/96/599319896.db2.gz KUKOAYMMPLBWIN-UHFFFAOYSA-N -1 3 395.423 2.248 20 5 GEBDHM CN(Cc1ccccc1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821615732 599319899 /nfs/dbraw/zinc/31/98/99/599319899.db2.gz KUKOAYMMPLBWIN-UHFFFAOYSA-N -1 3 395.423 2.248 20 5 GEBDHM CN(CCOc1cccc(Cl)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821604928 599328072 /nfs/dbraw/zinc/32/80/72/599328072.db2.gz NJYYDKLMETWFSC-UHFFFAOYSA-N -1 3 375.776 2.339 20 5 GEBDHM CN(CCOc1cccc(Cl)c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821604928 599328075 /nfs/dbraw/zinc/32/80/75/599328075.db2.gz NJYYDKLMETWFSC-UHFFFAOYSA-N -1 3 375.776 2.339 20 5 GEBDHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735965541 599348943 /nfs/dbraw/zinc/34/89/43/599348943.db2.gz MORVVHGLIGECPS-LBPRGKRZSA-N -1 3 383.416 2.331 20 5 GEBDHM CC(C)n1cnnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735965541 599348946 /nfs/dbraw/zinc/34/89/46/599348946.db2.gz MORVVHGLIGECPS-LBPRGKRZSA-N -1 3 383.416 2.331 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821846579 599412571 /nfs/dbraw/zinc/41/25/71/599412571.db2.gz UWEJRBKVGUTKJZ-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821846579 599412574 /nfs/dbraw/zinc/41/25/74/599412574.db2.gz UWEJRBKVGUTKJZ-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821798980 599412788 /nfs/dbraw/zinc/41/27/88/599412788.db2.gz WIYSYWGWHSIGTJ-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821798980 599412791 /nfs/dbraw/zinc/41/27/91/599412791.db2.gz WIYSYWGWHSIGTJ-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM C[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820367937 599422163 /nfs/dbraw/zinc/42/21/63/599422163.db2.gz VTKCVLMWZISUCI-LBPRGKRZSA-N -1 3 397.395 2.214 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000821846332 599522038 /nfs/dbraw/zinc/52/20/38/599522038.db2.gz QXQPUSHMXGBLFI-UHFFFAOYSA-N -1 3 396.411 2.259 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000821846332 599522040 /nfs/dbraw/zinc/52/20/40/599522040.db2.gz QXQPUSHMXGBLFI-UHFFFAOYSA-N -1 3 396.411 2.259 20 5 GEBDHM C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820403802 599525824 /nfs/dbraw/zinc/52/58/24/599525824.db2.gz MUECTFGKDOMAFS-VIFPVBQESA-N -1 3 378.352 2.142 20 5 GEBDHM Cc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822241171 599588480 /nfs/dbraw/zinc/58/84/80/599588480.db2.gz NENVPKYGHZNOCG-MRXNPFEDSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241171 599588482 /nfs/dbraw/zinc/58/84/82/599588482.db2.gz NENVPKYGHZNOCG-MRXNPFEDSA-N -1 3 379.380 2.301 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619323 599686668 /nfs/dbraw/zinc/68/66/68/599686668.db2.gz RBWYLXUIZZIQGJ-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619323 599686669 /nfs/dbraw/zinc/68/66/69/599686669.db2.gz RBWYLXUIZZIQGJ-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000740098670 599707218 /nfs/dbraw/zinc/70/72/18/599707218.db2.gz XKKHBZJQFPBUGE-CYBMUJFWSA-N -1 3 394.384 2.257 20 5 GEBDHM COc1ccc(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000826190689 607417029 /nfs/dbraw/zinc/41/70/29/607417029.db2.gz JQDRWJUDEKMTNJ-UHFFFAOYSA-N -1 3 394.391 2.132 20 5 GEBDHM COc1ccc(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826190689 607417030 /nfs/dbraw/zinc/41/70/30/607417030.db2.gz JQDRWJUDEKMTNJ-UHFFFAOYSA-N -1 3 394.391 2.132 20 5 GEBDHM COc1cc(CN(CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000569105894 600852811 /nfs/dbraw/zinc/85/28/11/600852811.db2.gz BZEZIJNMLQUPBG-UHFFFAOYSA-N -1 3 390.339 2.270 20 5 GEBDHM O=[N+]([O-])c1cnn(CCSCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823652165 607480181 /nfs/dbraw/zinc/48/01/81/607480181.db2.gz WEZLGXWUWMGENP-UHFFFAOYSA-N -1 3 375.414 2.174 20 5 GEBDHM O=[N+]([O-])c1cnn(CCSCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823652165 607480182 /nfs/dbraw/zinc/48/01/82/607480182.db2.gz WEZLGXWUWMGENP-UHFFFAOYSA-N -1 3 375.414 2.174 20 5 GEBDHM Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568399714 601545163 /nfs/dbraw/zinc/54/51/63/601545163.db2.gz ZCVSVECYTQSFSE-QGZVFWFLSA-N -1 3 385.420 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H](O)C(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000826499597 607519905 /nfs/dbraw/zinc/51/99/05/607519905.db2.gz OWXMTUDOJRSSCH-LLVKDONJSA-N -1 3 383.290 2.048 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H](O)C(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000826499597 607519907 /nfs/dbraw/zinc/51/99/07/607519907.db2.gz OWXMTUDOJRSSCH-LLVKDONJSA-N -1 3 383.290 2.048 20 5 GEBDHM O=C([O-])[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCN(Cc2ccccc2)C1 ZINC000833129253 601730355 /nfs/dbraw/zinc/73/03/55/601730355.db2.gz YFZGVDWIXDGABY-FQEVSTJZSA-N -1 3 383.404 2.444 20 5 GEBDHM CN(Cc1cn(C)nc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825991514 607540473 /nfs/dbraw/zinc/54/04/73/607540473.db2.gz CZBXOZGYPQXEDX-UHFFFAOYSA-N -1 3 382.306 2.164 20 5 GEBDHM CN(Cc1cn(C)nc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825991514 607540475 /nfs/dbraw/zinc/54/04/75/607540475.db2.gz CZBXOZGYPQXEDX-UHFFFAOYSA-N -1 3 382.306 2.164 20 5 GEBDHM COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1-c1nnn[n-]1 ZINC000826203995 607557966 /nfs/dbraw/zinc/55/79/66/607557966.db2.gz RBPNHAWQVSIXJV-UHFFFAOYSA-N -1 3 395.379 2.280 20 5 GEBDHM COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1-c1nn[n-]n1 ZINC000826203995 607557967 /nfs/dbraw/zinc/55/79/67/607557967.db2.gz RBPNHAWQVSIXJV-UHFFFAOYSA-N -1 3 395.379 2.280 20 5 GEBDHM COc1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826197070 607586032 /nfs/dbraw/zinc/58/60/32/607586032.db2.gz YOUYICLACNBXOH-WEVVVXLNSA-N -1 3 380.364 2.113 20 5 GEBDHM COc1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826197070 607586033 /nfs/dbraw/zinc/58/60/33/607586033.db2.gz YOUYICLACNBXOH-WEVVVXLNSA-N -1 3 380.364 2.113 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829516487 603971565 /nfs/dbraw/zinc/97/15/65/603971565.db2.gz SOBDRASONRGYIE-OCCSQVGLSA-N -1 3 392.412 2.149 20 5 GEBDHM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)cc1Cl ZINC000833307724 604267915 /nfs/dbraw/zinc/26/79/15/604267915.db2.gz RGNWTVVJNBQFPR-UHFFFAOYSA-N -1 3 383.832 2.495 20 5 GEBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000833417561 604937585 /nfs/dbraw/zinc/93/75/85/604937585.db2.gz VATBDSAQHSBFNX-AWEZNQCLSA-N -1 3 375.425 2.307 20 5 GEBDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833622321 605021855 /nfs/dbraw/zinc/02/18/55/605021855.db2.gz HCXCOXVJOQRROB-XHDPSFHLSA-N -1 3 393.465 2.374 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825205473 607736087 /nfs/dbraw/zinc/73/60/87/607736087.db2.gz WGSBCAMNGAPDEE-NHYWBVRUSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825205473 607736088 /nfs/dbraw/zinc/73/60/88/607736088.db2.gz WGSBCAMNGAPDEE-NHYWBVRUSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825203719 607736132 /nfs/dbraw/zinc/73/61/32/607736132.db2.gz ONPSWGPQBSXBJV-FZMZJTMJSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825203719 607736133 /nfs/dbraw/zinc/73/61/33/607736133.db2.gz ONPSWGPQBSXBJV-FZMZJTMJSA-N -1 3 385.428 2.224 20 5 GEBDHM CN(Cc1nc(C(F)(F)F)cs1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821617026 606044154 /nfs/dbraw/zinc/04/41/54/606044154.db2.gz SXDMHMZMCWFJBM-UHFFFAOYSA-N -1 3 386.319 2.282 20 5 GEBDHM CN(Cc1nc(C(F)(F)F)cs1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821617026 606044157 /nfs/dbraw/zinc/04/41/57/606044157.db2.gz SXDMHMZMCWFJBM-UHFFFAOYSA-N -1 3 386.319 2.282 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823639554 606146014 /nfs/dbraw/zinc/14/60/14/606146014.db2.gz DJHSZNRDTZRWCM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820500029 606230443 /nfs/dbraw/zinc/23/04/43/606230443.db2.gz BTCYOUPLLCIVDU-QMMMGPOBSA-N -1 3 396.323 2.071 20 5 GEBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820500029 606230446 /nfs/dbraw/zinc/23/04/46/606230446.db2.gz BTCYOUPLLCIVDU-QMMMGPOBSA-N -1 3 396.323 2.071 20 5 GEBDHM CCN(C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1)CC(F)(F)F ZINC000821206749 606240054 /nfs/dbraw/zinc/24/00/54/606240054.db2.gz DSLHLPVZPPBHDW-LLVKDONJSA-N -1 3 399.377 2.485 20 5 GEBDHM CCN(C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1)CC(F)(F)F ZINC000821206749 606240055 /nfs/dbraw/zinc/24/00/55/606240055.db2.gz DSLHLPVZPPBHDW-LLVKDONJSA-N -1 3 399.377 2.485 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000822220457 606248303 /nfs/dbraw/zinc/24/83/03/606248303.db2.gz RWHBPAGQHDGAPT-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000822220457 606248305 /nfs/dbraw/zinc/24/83/05/606248305.db2.gz RWHBPAGQHDGAPT-OAHLLOKOSA-N -1 3 379.380 2.301 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648798 606366016 /nfs/dbraw/zinc/36/60/16/606366016.db2.gz SXWOXKZTYXICOZ-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648798 606366018 /nfs/dbraw/zinc/36/60/18/606366018.db2.gz SXWOXKZTYXICOZ-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648502 606375425 /nfs/dbraw/zinc/37/54/25/606375425.db2.gz LHJDSHSIWBWWIH-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648502 606375426 /nfs/dbraw/zinc/37/54/26/606375426.db2.gz LHJDSHSIWBWWIH-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823250184 606632388 /nfs/dbraw/zinc/63/23/88/606632388.db2.gz SAGMLAUFSFQFSO-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823250184 606632389 /nfs/dbraw/zinc/63/23/89/606632389.db2.gz SAGMLAUFSFQFSO-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM COc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)c1 ZINC000821873686 606644320 /nfs/dbraw/zinc/64/43/20/606644320.db2.gz WRSXKJKKIZVIRK-UHFFFAOYSA-N -1 3 381.396 2.110 20 5 GEBDHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000823154756 606646204 /nfs/dbraw/zinc/64/62/04/606646204.db2.gz JDTXHUZWDZJXPR-UHFFFAOYSA-N -1 3 399.455 2.440 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821896830 606809325 /nfs/dbraw/zinc/80/93/25/606809325.db2.gz CEJNGABISBPEGQ-ZDUSSCGKSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821896830 606809326 /nfs/dbraw/zinc/80/93/26/606809326.db2.gz CEJNGABISBPEGQ-ZDUSSCGKSA-N -1 3 381.396 2.474 20 5 GEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000823620443 607163431 /nfs/dbraw/zinc/16/34/31/607163431.db2.gz KZJZKKWNXZILLY-ZDUSSCGKSA-N -1 3 384.400 2.402 20 5 GEBDHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2nccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822016350 607237371 /nfs/dbraw/zinc/23/73/71/607237371.db2.gz YDQNWHVYKVUGRL-UHFFFAOYSA-N -1 3 399.415 2.144 20 5 GEBDHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2nccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822016350 607237372 /nfs/dbraw/zinc/23/73/72/607237372.db2.gz YDQNWHVYKVUGRL-UHFFFAOYSA-N -1 3 399.415 2.144 20 5 GEBDHM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1-c1nnn[n-]1 ZINC000825821035 607790878 /nfs/dbraw/zinc/79/08/78/607790878.db2.gz ZWXGYLIELIXTRA-UHFFFAOYSA-N -1 3 377.364 2.393 20 5 GEBDHM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1-c1nn[n-]n1 ZINC000825821035 607790879 /nfs/dbraw/zinc/79/08/79/607790879.db2.gz ZWXGYLIELIXTRA-UHFFFAOYSA-N -1 3 377.364 2.393 20 5 GEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000825958252 607970654 /nfs/dbraw/zinc/97/06/54/607970654.db2.gz PBYHBGFOSWAEDQ-UHFFFAOYSA-N -1 3 391.391 2.457 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000825958252 607970655 /nfs/dbraw/zinc/97/06/55/607970655.db2.gz PBYHBGFOSWAEDQ-UHFFFAOYSA-N -1 3 391.391 2.457 20 5 GEBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000825820393 607978745 /nfs/dbraw/zinc/97/87/45/607978745.db2.gz CTKVBDMCVWMIAE-UHFFFAOYSA-N -1 3 377.364 2.462 20 5 GEBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000825820393 607978746 /nfs/dbraw/zinc/97/87/46/607978746.db2.gz CTKVBDMCVWMIAE-UHFFFAOYSA-N -1 3 377.364 2.462 20 5 GEBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826408609 608002685 /nfs/dbraw/zinc/00/26/85/608002685.db2.gz NZXUSODCBGGRHY-UHFFFAOYSA-N -1 3 378.352 2.223 20 5 GEBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826408609 608002686 /nfs/dbraw/zinc/00/26/86/608002686.db2.gz NZXUSODCBGGRHY-UHFFFAOYSA-N -1 3 378.352 2.223 20 5 GEBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826419921 608005186 /nfs/dbraw/zinc/00/51/86/608005186.db2.gz QYYJOLTXTNWSRH-UHFFFAOYSA-N -1 3 398.448 2.367 20 5 GEBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000826419921 608005187 /nfs/dbraw/zinc/00/51/87/608005187.db2.gz QYYJOLTXTNWSRH-UHFFFAOYSA-N -1 3 398.448 2.367 20 5 GEBDHM O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826469425 608108054 /nfs/dbraw/zinc/10/80/54/608108054.db2.gz GRBWCPOCXUYUAD-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826469425 608108055 /nfs/dbraw/zinc/10/80/55/608108055.db2.gz GRBWCPOCXUYUAD-UHFFFAOYSA-N -1 3 375.348 2.459 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2cnn(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000826499334 608109853 /nfs/dbraw/zinc/10/98/53/608109853.db2.gz FCECQKKWYNXGNT-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2cnn(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826499334 608109854 /nfs/dbraw/zinc/10/98/54/608109854.db2.gz FCECQKKWYNXGNT-QGZVFWFLSA-N -1 3 377.364 2.372 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000825833916 608155185 /nfs/dbraw/zinc/15/51/85/608155185.db2.gz NZLWARLUJAATCO-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000825833916 608155187 /nfs/dbraw/zinc/15/51/87/608155187.db2.gz NZLWARLUJAATCO-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM C[C@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824770448 608409886 /nfs/dbraw/zinc/40/98/86/608409886.db2.gz KQHZXDZNWUPSAW-GFCCVEGCSA-N -1 3 398.402 2.192 20 5 GEBDHM C[C@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824770448 608409887 /nfs/dbraw/zinc/40/98/87/608409887.db2.gz KQHZXDZNWUPSAW-GFCCVEGCSA-N -1 3 398.402 2.192 20 5 GEBDHM Cc1nn(C)c(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1[N+](=O)[O-] ZINC000826334312 608556879 /nfs/dbraw/zinc/55/68/79/608556879.db2.gz PTTCZNUFCSDGLL-UHFFFAOYSA-N -1 3 399.415 2.014 20 5 GEBDHM Cc1nn(C)c(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000826334312 608556880 /nfs/dbraw/zinc/55/68/80/608556880.db2.gz PTTCZNUFCSDGLL-UHFFFAOYSA-N -1 3 399.415 2.014 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000826497284 608668231 /nfs/dbraw/zinc/66/82/31/608668231.db2.gz AVVYTYVJRKZROK-LBPRGKRZSA-N -1 3 381.400 2.085 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000826497284 608668233 /nfs/dbraw/zinc/66/82/33/608668233.db2.gz AVVYTYVJRKZROK-LBPRGKRZSA-N -1 3 381.400 2.085 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826409348 609369753 /nfs/dbraw/zinc/36/97/53/609369753.db2.gz SYRRLLUNILARPF-UHFFFAOYSA-N -1 3 384.308 2.221 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826409348 609369755 /nfs/dbraw/zinc/36/97/55/609369755.db2.gz SYRRLLUNILARPF-UHFFFAOYSA-N -1 3 384.308 2.221 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1-c1nnn[n-]1 ZINC000826408739 609372133 /nfs/dbraw/zinc/37/21/33/609372133.db2.gz SKXCAXJZSFYOIP-UHFFFAOYSA-N -1 3 383.324 2.254 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1-c1nn[n-]n1 ZINC000826408739 609372137 /nfs/dbraw/zinc/37/21/37/609372137.db2.gz SKXCAXJZSFYOIP-UHFFFAOYSA-N -1 3 383.324 2.254 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826499738 609489140 /nfs/dbraw/zinc/48/91/40/609489140.db2.gz VDKZXNQOWOZSPT-UHFFFAOYSA-N -1 3 391.434 2.341 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826499738 609489142 /nfs/dbraw/zinc/48/91/42/609489142.db2.gz VDKZXNQOWOZSPT-UHFFFAOYSA-N -1 3 391.434 2.341 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])s2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478162 609575388 /nfs/dbraw/zinc/57/53/88/609575388.db2.gz VNMCPHRFGKGJAE-GFCCVEGCSA-N -1 3 385.409 2.444 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])s2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478162 609575390 /nfs/dbraw/zinc/57/53/90/609575390.db2.gz VNMCPHRFGKGJAE-GFCCVEGCSA-N -1 3 385.409 2.444 20 5 GEBDHM CCOC(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446966841 649991310 /nfs/dbraw/zinc/99/13/10/649991310.db2.gz PCXOVUUZOURKCA-UHFFFAOYSA-N -1 3 384.332 2.235 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c(C(F)(F)F)c1 ZINC000451886041 650150214 /nfs/dbraw/zinc/15/02/14/650150214.db2.gz CNXMKTWSOZBQRT-LBPRGKRZSA-N -1 3 380.344 2.461 20 5 GEBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000462178550 650472692 /nfs/dbraw/zinc/47/26/92/650472692.db2.gz IMJRAFPTBOZIQH-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000510995675 650522832 /nfs/dbraw/zinc/52/28/32/650522832.db2.gz HXLIQVBYCRYDET-LURJTMIESA-N -1 3 379.320 2.080 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccon1 ZINC000538271507 650833540 /nfs/dbraw/zinc/83/35/40/650833540.db2.gz QZTJDZSAEKFLJR-SSDOTTSWSA-N -1 3 376.188 2.385 20 5 GEBDHM O=c1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccn1CC(F)(F)F ZINC000120285771 643597773 /nfs/dbraw/zinc/59/77/73/643597773.db2.gz QYMZFOMOBIQHLA-UHFFFAOYSA-N -1 3 383.329 2.181 20 5 GEBDHM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120302945 643599006 /nfs/dbraw/zinc/59/90/06/643599006.db2.gz OFDNBXILFCRTKB-UHFFFAOYSA-N -1 3 380.201 2.320 20 5 GEBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000152396426 643967208 /nfs/dbraw/zinc/96/72/08/643967208.db2.gz GLSOVMHHQYTLMW-LLVKDONJSA-N -1 3 379.232 2.061 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000499666376 650889853 /nfs/dbraw/zinc/88/98/53/650889853.db2.gz HTLRMMZDUXRYGG-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158413093 644143714 /nfs/dbraw/zinc/14/37/14/644143714.db2.gz WGFFWKBUGNGPAF-SECBINFHSA-N -1 3 381.248 2.043 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000544131278 650935311 /nfs/dbraw/zinc/93/53/11/650935311.db2.gz FHNKYXJTEJMIDI-VIFPVBQESA-N -1 3 378.353 2.238 20 5 GEBDHM O=C1[N-]C(=O)C(=CNc2ncc(Br)cc2[N+](=O)[O-])c2ccccc21 ZINC000255288525 645578346 /nfs/dbraw/zinc/57/83/46/645578346.db2.gz HBDAKFHJKKMXSM-XFFZJAGNSA-N -1 3 389.165 2.475 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000269495091 646041319 /nfs/dbraw/zinc/04/13/19/646041319.db2.gz UUUGBTSLALEMHX-GZMMTYOYSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000278851986 646557690 /nfs/dbraw/zinc/55/76/90/646557690.db2.gz LAXYFMBGEFILJK-GFCCVEGCSA-N -1 3 378.332 2.219 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000389854041 647891645 /nfs/dbraw/zinc/89/16/45/647891645.db2.gz CNLJWSYXBJGYQJ-VIFPVBQESA-N -1 3 378.353 2.095 20 5 GEBDHM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416426047 648124237 /nfs/dbraw/zinc/12/42/37/648124237.db2.gz HGNOLCVTASEFJS-QMMMGPOBSA-N -1 3 384.332 2.091 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O ZINC000416453927 648129554 /nfs/dbraw/zinc/12/95/54/648129554.db2.gz DFSMAFRFBRMYIT-SKDRFNHKSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(CO)CCCC1 ZINC000416464452 648133766 /nfs/dbraw/zinc/13/37/66/648133766.db2.gz HREULJBEVIHKBM-UHFFFAOYSA-N -1 3 382.360 2.445 20 5 GEBDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416563115 648172618 /nfs/dbraw/zinc/17/26/18/648172618.db2.gz XZGNVSGSDJNGJU-MNOVXSKESA-N -1 3 379.232 2.203 20 5 GEBDHM CCn1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000416578782 648175551 /nfs/dbraw/zinc/17/55/51/648175551.db2.gz GZSNDLVPUZCYKG-UHFFFAOYSA-N -1 3 378.332 2.309 20 5 GEBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000420755586 648451388 /nfs/dbraw/zinc/45/13/88/648451388.db2.gz CHUXNRMRTPMFQJ-SNVBAGLBSA-N -1 3 378.834 2.111 20 5 GEBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1[O-] ZINC000603881919 651500875 /nfs/dbraw/zinc/50/08/75/651500875.db2.gz IEAHEPBPXWHIRB-UHFFFAOYSA-N -1 3 394.181 2.431 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCCC2 ZINC000609358804 651617912 /nfs/dbraw/zinc/61/79/12/651617912.db2.gz ZGSLWBUREGMEML-SNVBAGLBSA-N -1 3 385.471 2.404 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1n[nH]cc1Br ZINC000609487867 651620753 /nfs/dbraw/zinc/62/07/53/651620753.db2.gz YCGQLRBRTZWPJC-UHFFFAOYSA-N -1 3 395.622 2.212 20 5 GEBDHM Cn1c(C(=O)Nc2cc(I)ccc2[O-])ccc1[N+](=O)[O-] ZINC000610490256 651665404 /nfs/dbraw/zinc/66/54/04/651665404.db2.gz HVKVZSHPQAPXDE-UHFFFAOYSA-N -1 3 387.133 2.496 20 5 GEBDHM CCCCOC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746672011 652122192 /nfs/dbraw/zinc/12/21/92/652122192.db2.gz ZLGNZDDTTGLOOE-UHFFFAOYSA-N -1 3 384.332 2.235 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc(F)n2)c1 ZINC000747912536 652185742 /nfs/dbraw/zinc/18/57/42/652185742.db2.gz SSRRTVHYJRLGHI-UHFFFAOYSA-N -1 3 390.190 2.370 20 5 GEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000577957042 652231971 /nfs/dbraw/zinc/23/19/71/652231971.db2.gz BKYMGRVMOOERMF-JTQLQIEISA-N -1 3 376.818 2.116 20 5 GEBDHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592083903 652584060 /nfs/dbraw/zinc/58/40/60/652584060.db2.gz SAGRRDXPHJAYMB-VHSXEESVSA-N -1 3 395.275 2.433 20 5 GEBDHM CCn1nccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595417333 652728129 /nfs/dbraw/zinc/72/81/29/652728129.db2.gz XAIVJXHSTRIUGN-UHFFFAOYSA-N -1 3 378.332 2.309 20 5 GEBDHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809813286 653297938 /nfs/dbraw/zinc/29/79/38/653297938.db2.gz VPNLVZUHCOLPIZ-JTQLQIEISA-N -1 3 379.841 2.398 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000859367885 653451237 /nfs/dbraw/zinc/45/12/37/653451237.db2.gz OELVXXBNJZNWAJ-JOYOIKCWSA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN2CCCC[C@@H]12 ZINC000814990250 653642091 /nfs/dbraw/zinc/64/20/91/653642091.db2.gz JIMCIGVIEUNOFG-NEPJUHHUSA-N -1 3 377.825 2.292 20 5 GEBDHM CCn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000841553830 653732079 /nfs/dbraw/zinc/73/20/79/653732079.db2.gz ILSOOZUSJIRELK-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884012 653975167 /nfs/dbraw/zinc/97/51/67/653975167.db2.gz XLJAHFNULPKPQF-QPUJVOFHSA-N -1 3 377.825 2.148 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23CCC[C@H]2OCC3)c(Br)c1 ZINC000867884896 654002783 /nfs/dbraw/zinc/00/27/83/654002783.db2.gz CTNLWWDZEXPHJA-OLZOCXBDSA-N -1 3 391.243 2.347 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(OC)OC ZINC000849405534 654024765 /nfs/dbraw/zinc/02/47/65/654024765.db2.gz JVPBJSVLQOZKTP-SECBINFHSA-N -1 3 386.348 2.289 20 5 GEBDHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831877094 654215340 /nfs/dbraw/zinc/21/53/40/654215340.db2.gz AKVMGCSLWFVDIQ-NSHDSACASA-N -1 3 379.232 2.203 20 5 GEBDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832624759 654281431 /nfs/dbraw/zinc/28/14/31/654281431.db2.gz LLUSMZJBWJALTJ-UHFFFAOYSA-N -1 3 395.275 2.433 20 5 GEBDHM CC(C)(C)c1nsc(NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000159530190 531786136 /nfs/dbraw/zinc/78/61/36/531786136.db2.gz UDCXUSXEISGVHH-UHFFFAOYSA-N -1 3 385.471 2.134 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)c(Cl)c1 ZINC000055989485 531802430 /nfs/dbraw/zinc/80/24/30/531802430.db2.gz PUKQKBRMHVOGEB-GFCCVEGCSA-N -1 3 378.834 2.112 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1 ZINC000057929395 531826464 /nfs/dbraw/zinc/82/64/64/531826464.db2.gz KHAUBRRCDVCNOO-SECBINFHSA-N -1 3 387.767 2.163 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000123029307 532090682 /nfs/dbraw/zinc/09/06/82/532090682.db2.gz MONPYJFCSZYZIW-UHFFFAOYSA-N -1 3 381.479 2.301 20 5 GEBDHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000132310814 532212471 /nfs/dbraw/zinc/21/24/71/532212471.db2.gz HCYQUPVZBBBLGR-UHFFFAOYSA-N -1 3 394.181 2.318 20 5 GEBDHM CCc1nc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cs1 ZINC000186944690 532342572 /nfs/dbraw/zinc/34/25/72/532342572.db2.gz GRKGACYQSVDROG-UHFFFAOYSA-N -1 3 375.403 2.240 20 5 GEBDHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000278039615 532372495 /nfs/dbraw/zinc/37/24/95/532372495.db2.gz XJLAKPXTMJZMAM-LDYMZIIASA-N -1 3 379.232 2.061 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000592080078 532438993 /nfs/dbraw/zinc/43/89/93/532438993.db2.gz JQQXSNTYOQGXQP-LBPRGKRZSA-N -1 3 383.451 2.030 20 5 GEBDHM COC1CCN(C(C)(C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467409131 532446317 /nfs/dbraw/zinc/44/63/17/532446317.db2.gz UFKILRKRYRLJAL-UHFFFAOYSA-N -1 3 391.515 2.132 20 5 GEBDHM CCn1ccnc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000295562947 532459343 /nfs/dbraw/zinc/45/93/43/532459343.db2.gz UCNGJSMALIBIJS-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594474751 532508880 /nfs/dbraw/zinc/50/88/80/532508880.db2.gz RTOSXBYHFRZNOQ-LBPRGKRZSA-N -1 3 381.435 2.197 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C ZINC000469307512 532500480 /nfs/dbraw/zinc/50/04/80/532500480.db2.gz WJWBBOXRAPQDDU-ZDUSSCGKSA-N -1 3 390.483 2.437 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1csc(C)n1 ZINC000469363285 532501498 /nfs/dbraw/zinc/50/14/98/532501498.db2.gz LWFITGTWMRCQAZ-MRVPVSSYSA-N -1 3 385.423 2.186 20 5 GEBDHM C[C@]1(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594858951 532536767 /nfs/dbraw/zinc/53/67/67/532536767.db2.gz VSEZXJJWBFBXBM-ZDUSSCGKSA-N -1 3 378.353 2.080 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c(C(F)(F)F)c1 ZINC000594862321 532536938 /nfs/dbraw/zinc/53/69/38/532536938.db2.gz BCHJGELMFIVSQO-NWDGAFQWSA-N -1 3 380.344 2.195 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c(C(F)(F)F)c1 ZINC000594862320 532537447 /nfs/dbraw/zinc/53/74/47/532537447.db2.gz BCHJGELMFIVSQO-NEPJUHHUSA-N -1 3 380.344 2.195 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000594840388 532532589 /nfs/dbraw/zinc/53/25/89/532532589.db2.gz OJFFFYAXOHOICB-SNVBAGLBSA-N -1 3 390.286 2.316 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCO[C@@H]1CC1(F)F ZINC000594840086 532532770 /nfs/dbraw/zinc/53/27/70/532532770.db2.gz KTQKEXVYHCZKQY-SNVBAGLBSA-N -1 3 390.286 2.316 20 5 GEBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000248886714 532556662 /nfs/dbraw/zinc/55/66/62/532556662.db2.gz SEKQRQMTLVDORG-GXTWGEPZSA-N -1 3 381.479 2.455 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nccn1C ZINC000595383951 532562470 /nfs/dbraw/zinc/56/24/70/532562470.db2.gz RWGCBYSZHUWHOO-MRVPVSSYSA-N -1 3 389.231 2.130 20 5 GEBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000264447443 532674582 /nfs/dbraw/zinc/67/45/82/532674582.db2.gz HHEZIAJHISDJDF-UHFFFAOYSA-N -1 3 382.467 2.307 20 5 GEBDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000285682114 532697655 /nfs/dbraw/zinc/69/76/55/532697655.db2.gz RBXMVVRWTIGWQB-VHSXEESVSA-N -1 3 393.259 2.308 20 5 GEBDHM C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000440093209 532706472 /nfs/dbraw/zinc/70/64/72/532706472.db2.gz RTIADNDYOSEFEY-FHMRSRPSSA-N -1 3 376.818 2.424 20 5 GEBDHM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000540071669 532734435 /nfs/dbraw/zinc/73/44/35/532734435.db2.gz OZZKXVWTRHQSFV-UHFFFAOYSA-N -1 3 395.275 2.434 20 5 GEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000446950074 532756075 /nfs/dbraw/zinc/75/60/75/532756075.db2.gz YTAGVRVYPVXWJM-GFCCVEGCSA-N -1 3 378.332 2.219 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C(C)(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267619942 532748547 /nfs/dbraw/zinc/74/85/47/532748547.db2.gz KOMAHSQBXYNEEP-UHFFFAOYSA-N -1 3 398.890 2.048 20 5 GEBDHM CCOC(=O)c1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[n-]1 ZINC000617872306 532753818 /nfs/dbraw/zinc/75/38/18/532753818.db2.gz RDGSGSGZGOOKSU-UHFFFAOYSA-N -1 3 397.185 2.438 20 5 GEBDHM CCOC(=O)c1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c[n-]1 ZINC000617872306 532753823 /nfs/dbraw/zinc/75/38/23/532753823.db2.gz RDGSGSGZGOOKSU-UHFFFAOYSA-N -1 3 397.185 2.438 20 5 GEBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451796324 532770206 /nfs/dbraw/zinc/77/02/06/532770206.db2.gz LHTGQPFWWXALGI-LBPRGKRZSA-N -1 3 381.248 2.451 20 5 GEBDHM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330795132 532826969 /nfs/dbraw/zinc/82/69/69/532826969.db2.gz WPYKQRJOWNDULC-JQWIXIFHSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000289548000 532858449 /nfs/dbraw/zinc/85/84/49/532858449.db2.gz RSNKLPGTWKRWDM-SECBINFHSA-N -1 3 377.825 2.150 20 5 GEBDHM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416375183 532873099 /nfs/dbraw/zinc/87/30/99/532873099.db2.gz RGUOXMVWSIGWDG-SECBINFHSA-N -1 3 378.332 2.177 20 5 GEBDHM CN1CC=C(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000290840408 532890229 /nfs/dbraw/zinc/89/02/29/532890229.db2.gz VLQFJEOMUUSBFW-UHFFFAOYSA-N -1 3 380.253 2.442 20 5 GEBDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1cccc([N+](=O)[O-])c1 ZINC000276052215 532888214 /nfs/dbraw/zinc/88/82/14/532888214.db2.gz OXYINITVBXRBLO-UHFFFAOYSA-N -1 3 384.435 2.272 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2sccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737360879 598838880 /nfs/dbraw/zinc/83/88/80/598838880.db2.gz CVZUFIFLZVTQGY-UHFFFAOYSA-N -1 3 387.425 2.377 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2sccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737360879 598838881 /nfs/dbraw/zinc/83/88/81/598838881.db2.gz CVZUFIFLZVTQGY-UHFFFAOYSA-N -1 3 387.425 2.377 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897484 598881863 /nfs/dbraw/zinc/88/18/63/598881863.db2.gz QOBQRSBOVYLTFY-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897484 598881864 /nfs/dbraw/zinc/88/18/64/598881864.db2.gz QOBQRSBOVYLTFY-MEDUHNTESA-N -1 3 382.380 2.340 20 5 GEBDHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736142371 598915457 /nfs/dbraw/zinc/91/54/57/598915457.db2.gz NNGGYSNDHRMBQW-MRXNPFEDSA-N -1 3 376.323 2.373 20 5 GEBDHM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736142371 598915459 /nfs/dbraw/zinc/91/54/59/598915459.db2.gz NNGGYSNDHRMBQW-MRXNPFEDSA-N -1 3 376.323 2.373 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737224190 598999560 /nfs/dbraw/zinc/99/95/60/598999560.db2.gz ONOLXLLMQFXHBE-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737224190 598999562 /nfs/dbraw/zinc/99/95/62/598999562.db2.gz ONOLXLLMQFXHBE-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC000736290163 599039828 /nfs/dbraw/zinc/03/98/28/599039828.db2.gz PDNRZPJTDMKCKW-SNVBAGLBSA-N -1 3 386.393 2.087 20 5 GEBDHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC000736290163 599039831 /nfs/dbraw/zinc/03/98/31/599039831.db2.gz PDNRZPJTDMKCKW-SNVBAGLBSA-N -1 3 386.393 2.087 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc([N+](=O)[O-])s1 ZINC000738244392 599149330 /nfs/dbraw/zinc/14/93/30/599149330.db2.gz HXNSPZPTAJEDAJ-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc([N+](=O)[O-])s1 ZINC000738244392 599149332 /nfs/dbraw/zinc/14/93/32/599149332.db2.gz HXNSPZPTAJEDAJ-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000823242059 599162553 /nfs/dbraw/zinc/16/25/53/599162553.db2.gz OVBVUZPASHRMNL-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000823242059 599162554 /nfs/dbraw/zinc/16/25/54/599162554.db2.gz OVBVUZPASHRMNL-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822969672 599181739 /nfs/dbraw/zinc/18/17/39/599181739.db2.gz WOVPTKLPEXTCSP-UHFFFAOYSA-N -1 3 385.359 2.032 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822969672 599181742 /nfs/dbraw/zinc/18/17/42/599181742.db2.gz WOVPTKLPEXTCSP-UHFFFAOYSA-N -1 3 385.359 2.032 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000823646968 599220178 /nfs/dbraw/zinc/22/01/78/599220178.db2.gz FBMDHOPZEVRHNO-CQSZACIVSA-N -1 3 395.379 2.283 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000823646968 599220182 /nfs/dbraw/zinc/22/01/82/599220182.db2.gz FBMDHOPZEVRHNO-CQSZACIVSA-N -1 3 395.379 2.283 20 5 GEBDHM COCCN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821690770 607305792 /nfs/dbraw/zinc/30/57/92/607305792.db2.gz ZHSPAJCDVKYVBC-UHFFFAOYSA-N -1 3 398.379 2.157 20 5 GEBDHM COCCN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821690770 607305793 /nfs/dbraw/zinc/30/57/93/607305793.db2.gz ZHSPAJCDVKYVBC-UHFFFAOYSA-N -1 3 398.379 2.157 20 5 GEBDHM Cc1nn(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000737524267 598244353 /nfs/dbraw/zinc/24/43/53/598244353.db2.gz WIRHVEBQQSBQFE-UHFFFAOYSA-N -1 3 398.427 2.089 20 5 GEBDHM Cc1nn(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000737524267 598244354 /nfs/dbraw/zinc/24/43/54/598244354.db2.gz WIRHVEBQQSBQFE-UHFFFAOYSA-N -1 3 398.427 2.089 20 5 GEBDHM COc1ccc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1[N+](=O)[O-] ZINC000737091263 598251967 /nfs/dbraw/zinc/25/19/67/598251967.db2.gz RWFLHNXAQBDMDA-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000737091263 598251968 /nfs/dbraw/zinc/25/19/68/598251968.db2.gz RWFLHNXAQBDMDA-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000737282194 598272801 /nfs/dbraw/zinc/27/28/01/598272801.db2.gz BQCZJGUMQPGKFU-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000737282194 598272802 /nfs/dbraw/zinc/27/28/02/598272802.db2.gz BQCZJGUMQPGKFU-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737282911 598289571 /nfs/dbraw/zinc/28/95/71/598289571.db2.gz KWBQNSFRAGGHIY-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737282911 598289573 /nfs/dbraw/zinc/28/95/73/598289573.db2.gz KWBQNSFRAGGHIY-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1CCOc1ccccc1-c1nnn[n-]1 ZINC000737483169 598316039 /nfs/dbraw/zinc/31/60/39/598316039.db2.gz LSGPYOCVSLAOGP-UHFFFAOYSA-N -1 3 394.189 2.121 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1CCOc1ccccc1-c1nn[n-]n1 ZINC000737483169 598316042 /nfs/dbraw/zinc/31/60/42/598316042.db2.gz LSGPYOCVSLAOGP-UHFFFAOYSA-N -1 3 394.189 2.121 20 5 GEBDHM CCN(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736536071 598394579 /nfs/dbraw/zinc/39/45/79/598394579.db2.gz AZEHNOQFIFEDCI-UHFFFAOYSA-N -1 3 377.405 2.444 20 5 GEBDHM CCN(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736536071 598394580 /nfs/dbraw/zinc/39/45/80/598394580.db2.gz AZEHNOQFIFEDCI-UHFFFAOYSA-N -1 3 377.405 2.444 20 5 GEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735913243 598482117 /nfs/dbraw/zinc/48/21/17/598482117.db2.gz LNZGKEXBXYPVGY-UHFFFAOYSA-N -1 3 384.352 2.314 20 5 GEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735913243 598482118 /nfs/dbraw/zinc/48/21/18/598482118.db2.gz LNZGKEXBXYPVGY-UHFFFAOYSA-N -1 3 384.352 2.314 20 5 GEBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738191395 598573620 /nfs/dbraw/zinc/57/36/20/598573620.db2.gz IWZGUSVJKXQYOV-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738191395 598573621 /nfs/dbraw/zinc/57/36/21/598573621.db2.gz IWZGUSVJKXQYOV-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738065917 598677813 /nfs/dbraw/zinc/67/78/13/598677813.db2.gz NNJNRTRPWYVSIX-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738065917 598677814 /nfs/dbraw/zinc/67/78/14/598677814.db2.gz NNJNRTRPWYVSIX-UHFFFAOYSA-N -1 3 385.359 2.146 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000738368640 598756621 /nfs/dbraw/zinc/75/66/21/598756621.db2.gz GYNYVPSGRBKFLQ-AWEZNQCLSA-N -1 3 387.787 2.401 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000738368640 598756623 /nfs/dbraw/zinc/75/66/23/598756623.db2.gz GYNYVPSGRBKFLQ-AWEZNQCLSA-N -1 3 387.787 2.401 20 5 GEBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737982138 598757855 /nfs/dbraw/zinc/75/78/55/598757855.db2.gz NWKLYPBRWVDDRG-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737982138 598757857 /nfs/dbraw/zinc/75/78/57/598757857.db2.gz NWKLYPBRWVDDRG-UHFFFAOYSA-N -1 3 390.363 2.277 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738370295 598764467 /nfs/dbraw/zinc/76/44/67/598764467.db2.gz UVUSTOWKKUDXCA-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738370295 598764468 /nfs/dbraw/zinc/76/44/68/598764468.db2.gz UVUSTOWKKUDXCA-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212634 599326566 /nfs/dbraw/zinc/32/65/66/599326566.db2.gz AAIIJUQBLUOXFL-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212634 599326569 /nfs/dbraw/zinc/32/65/69/599326569.db2.gz AAIIJUQBLUOXFL-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM COc1cc(CCNc2nc(C)cc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000821711851 599329716 /nfs/dbraw/zinc/32/97/16/599329716.db2.gz AUSXHCXQBQVIHM-UHFFFAOYSA-N -1 3 399.411 2.459 20 5 GEBDHM COc1cc(CCNc2nc(C)cc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000821711851 599329718 /nfs/dbraw/zinc/32/97/18/599329718.db2.gz AUSXHCXQBQVIHM-UHFFFAOYSA-N -1 3 399.411 2.459 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(c2nncn2C2CC2)CC1 ZINC000738360853 599351663 /nfs/dbraw/zinc/35/16/63/599351663.db2.gz ZXCHOZZHWJKISA-UHFFFAOYSA-N -1 3 381.400 2.085 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(c2nncn2C2CC2)CC1 ZINC000738360853 599351665 /nfs/dbraw/zinc/35/16/65/599351665.db2.gz ZXCHOZZHWJKISA-UHFFFAOYSA-N -1 3 381.400 2.085 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821846580 599412209 /nfs/dbraw/zinc/41/22/09/599412209.db2.gz UWEJRBKVGUTKJZ-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821846580 599412210 /nfs/dbraw/zinc/41/22/10/599412210.db2.gz UWEJRBKVGUTKJZ-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820367433 599422373 /nfs/dbraw/zinc/42/23/73/599422373.db2.gz SKMLMLMWKFVMGQ-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820367433 599422375 /nfs/dbraw/zinc/42/23/75/599422375.db2.gz SKMLMLMWKFVMGQ-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409386 607378538 /nfs/dbraw/zinc/37/85/38/607378538.db2.gz WKCXCVLIDVSDDZ-UHFFFAOYSA-N -1 3 381.348 2.134 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409386 607378541 /nfs/dbraw/zinc/37/85/41/607378541.db2.gz WKCXCVLIDVSDDZ-UHFFFAOYSA-N -1 3 381.348 2.134 20 5 GEBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nnn[n-]3)cc2OC)c1[N+](=O)[O-] ZINC000736602789 599518675 /nfs/dbraw/zinc/51/86/75/599518675.db2.gz NPFZKEVFQUUCOZ-UHFFFAOYSA-N -1 3 386.324 2.148 20 5 GEBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nn[n-]n3)cc2OC)c1[N+](=O)[O-] ZINC000736602789 599518676 /nfs/dbraw/zinc/51/86/76/599518676.db2.gz NPFZKEVFQUUCOZ-UHFFFAOYSA-N -1 3 386.324 2.148 20 5 GEBDHM C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820333774 599519150 /nfs/dbraw/zinc/51/91/50/599519150.db2.gz GBDDKAQRZJDXEI-LLVKDONJSA-N -1 3 392.379 2.002 20 5 GEBDHM C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820333774 599519153 /nfs/dbraw/zinc/51/91/53/599519153.db2.gz GBDDKAQRZJDXEI-LLVKDONJSA-N -1 3 392.379 2.002 20 5 GEBDHM CCOC(=O)c1ccnc(NCc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000736603050 599524270 /nfs/dbraw/zinc/52/42/70/599524270.db2.gz RUSLGTMCFGBKPK-UHFFFAOYSA-N -1 3 387.331 2.098 20 5 GEBDHM CCOC(=O)c1ccnc(NCc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000736603050 599524273 /nfs/dbraw/zinc/52/42/73/599524273.db2.gz RUSLGTMCFGBKPK-UHFFFAOYSA-N -1 3 387.331 2.098 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391383 599531540 /nfs/dbraw/zinc/53/15/40/599531540.db2.gz ONBHAKNDRGUGNO-SECBINFHSA-N -1 3 383.324 2.174 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391383 599531542 /nfs/dbraw/zinc/53/15/42/599531542.db2.gz ONBHAKNDRGUGNO-SECBINFHSA-N -1 3 383.324 2.174 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000826250983 607382631 /nfs/dbraw/zinc/38/26/31/607382631.db2.gz BMBGBRHTZXZQRO-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000826250983 607382633 /nfs/dbraw/zinc/38/26/33/607382633.db2.gz BMBGBRHTZXZQRO-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM CN(CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000821593681 599630705 /nfs/dbraw/zinc/63/07/05/599630705.db2.gz FIAOCQNOGZEBPP-UHFFFAOYSA-N -1 3 398.427 2.406 20 5 GEBDHM CN(CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000821593681 599630706 /nfs/dbraw/zinc/63/07/06/599630706.db2.gz FIAOCQNOGZEBPP-UHFFFAOYSA-N -1 3 398.427 2.406 20 5 GEBDHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000822596801 599632280 /nfs/dbraw/zinc/63/22/80/599632280.db2.gz UHMMZBJNCJWHSQ-UHFFFAOYSA-N -1 3 381.274 2.385 20 5 GEBDHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000822596801 599632281 /nfs/dbraw/zinc/63/22/81/599632281.db2.gz UHMMZBJNCJWHSQ-UHFFFAOYSA-N -1 3 381.274 2.385 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823238856 599634938 /nfs/dbraw/zinc/63/49/38/599634938.db2.gz RYGGFJRMVJLXEG-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823238856 599634939 /nfs/dbraw/zinc/63/49/39/599634939.db2.gz RYGGFJRMVJLXEG-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826211461 607446907 /nfs/dbraw/zinc/44/69/07/607446907.db2.gz FMQQDCDQBXYEBS-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826211461 607446909 /nfs/dbraw/zinc/44/69/09/607446909.db2.gz FMQQDCDQBXYEBS-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM Cc1cc(C)n([C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265084 607522834 /nfs/dbraw/zinc/52/28/34/607522834.db2.gz LJBGFHBREIEVQP-SECBINFHSA-N -1 3 390.791 2.441 20 5 GEBDHM Cc1cc(C)n([C@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265084 607522836 /nfs/dbraw/zinc/52/28/36/607522836.db2.gz LJBGFHBREIEVQP-SECBINFHSA-N -1 3 390.791 2.441 20 5 GEBDHM CN(C)c1ncccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825887176 607524048 /nfs/dbraw/zinc/52/40/48/607524048.db2.gz DZMVEONPSOKOJU-UHFFFAOYSA-N -1 3 388.775 2.142 20 5 GEBDHM CN(C)c1ncccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825887176 607524051 /nfs/dbraw/zinc/52/40/51/607524051.db2.gz DZMVEONPSOKOJU-UHFFFAOYSA-N -1 3 388.775 2.142 20 5 GEBDHM Nc1c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000833089995 601778217 /nfs/dbraw/zinc/77/82/17/601778217.db2.gz LBAOXPKLLCZZQU-HXUWFJFHSA-N -1 3 398.419 2.026 20 5 GEBDHM Nc1c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000833089994 601778230 /nfs/dbraw/zinc/77/82/30/601778230.db2.gz LBAOXPKLLCZZQU-FQEVSTJZSA-N -1 3 398.419 2.026 20 5 GEBDHM COc1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826202402 607529999 /nfs/dbraw/zinc/52/99/99/607529999.db2.gz YXZZFMLERUETJO-UHFFFAOYSA-N -1 3 385.409 2.270 20 5 GEBDHM COc1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826202402 607530001 /nfs/dbraw/zinc/53/00/01/607530001.db2.gz YXZZFMLERUETJO-UHFFFAOYSA-N -1 3 385.409 2.270 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H]([C@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499354 607544166 /nfs/dbraw/zinc/54/41/66/607544166.db2.gz FSHBPDYXBNOTIX-RYUDHWBXSA-N -1 3 381.396 2.186 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H]([C@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499354 607544168 /nfs/dbraw/zinc/54/41/68/607544168.db2.gz FSHBPDYXBNOTIX-RYUDHWBXSA-N -1 3 381.396 2.186 20 5 GEBDHM COc1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826197069 607586248 /nfs/dbraw/zinc/58/62/48/607586248.db2.gz YOUYICLACNBXOH-UITAMQMPSA-N -1 3 380.364 2.113 20 5 GEBDHM COc1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826197069 607586249 /nfs/dbraw/zinc/58/62/49/607586249.db2.gz YOUYICLACNBXOH-UITAMQMPSA-N -1 3 380.364 2.113 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826498088 607599952 /nfs/dbraw/zinc/59/99/52/607599952.db2.gz HKYMDIUVOTVFMX-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM COc1ccc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205558 607605744 /nfs/dbraw/zinc/60/57/44/607605744.db2.gz AKJNTYCJCZXMHY-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205558 607605747 /nfs/dbraw/zinc/60/57/47/607605747.db2.gz AKJNTYCJCZXMHY-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826283376 607664240 /nfs/dbraw/zinc/66/42/40/607664240.db2.gz PKYBBFBPTAZKFT-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826283376 607664241 /nfs/dbraw/zinc/66/42/41/607664241.db2.gz PKYBBFBPTAZKFT-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1-c1nnn[n-]1 ZINC000825545443 607760684 /nfs/dbraw/zinc/76/06/84/607760684.db2.gz RUCCYXUNKRLKHZ-UHFFFAOYSA-N -1 3 387.312 2.189 20 5 GEBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1-c1nn[n-]n1 ZINC000825545443 607760685 /nfs/dbraw/zinc/76/06/85/607760685.db2.gz RUCCYXUNKRLKHZ-UHFFFAOYSA-N -1 3 387.312 2.189 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nccn2CCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823651417 606233422 /nfs/dbraw/zinc/23/34/22/606233422.db2.gz IZUHVHCDAWCSBB-UHFFFAOYSA-N -1 3 391.395 2.221 20 5 GEBDHM O=[N+]([O-])c1cnc(NCc2nccn2CCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823651417 606233424 /nfs/dbraw/zinc/23/34/24/606233424.db2.gz IZUHVHCDAWCSBB-UHFFFAOYSA-N -1 3 391.395 2.221 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822271404 606241958 /nfs/dbraw/zinc/24/19/58/606241958.db2.gz ZHQKFHCSPYKVEQ-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822271404 606241959 /nfs/dbraw/zinc/24/19/59/606241959.db2.gz ZHQKFHCSPYKVEQ-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508572 606346181 /nfs/dbraw/zinc/34/61/81/606346181.db2.gz RWAWVRFSLKMBDM-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508572 606346182 /nfs/dbraw/zinc/34/61/82/606346182.db2.gz RWAWVRFSLKMBDM-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM Cc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228889 606448960 /nfs/dbraw/zinc/44/89/60/606448960.db2.gz HXXGIKJVABUOPE-GFCCVEGCSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000822220498 606452259 /nfs/dbraw/zinc/45/22/59/606452259.db2.gz UEMXXFIZDKXNJD-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000822220498 606452261 /nfs/dbraw/zinc/45/22/61/606452261.db2.gz UEMXXFIZDKXNJD-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823055445 606623155 /nfs/dbraw/zinc/62/31/55/606623155.db2.gz QFKAUTLGIKVYGW-UHFFFAOYSA-N -1 3 391.347 2.341 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823055445 606623157 /nfs/dbraw/zinc/62/31/57/606623157.db2.gz QFKAUTLGIKVYGW-UHFFFAOYSA-N -1 3 391.347 2.341 20 5 GEBDHM C[C@H]1CN(C(C)(C)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000820742887 606644534 /nfs/dbraw/zinc/64/45/34/606644534.db2.gz NGMJWDKIGZKBHO-RYUDHWBXSA-N -1 3 375.433 2.075 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000820536011 606823128 /nfs/dbraw/zinc/82/31/28/606823128.db2.gz RLQKLKHAGMONMX-GFCCVEGCSA-N -1 3 383.364 2.328 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640036 606877959 /nfs/dbraw/zinc/87/79/59/606877959.db2.gz QANPBADOENYMEZ-YJBOKZPZSA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640036 606877960 /nfs/dbraw/zinc/87/79/60/606877960.db2.gz QANPBADOENYMEZ-YJBOKZPZSA-N -1 3 396.407 2.104 20 5 GEBDHM CCc1nnc(NCc2ccc(OC)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1CC ZINC000821542656 606922474 /nfs/dbraw/zinc/92/24/74/606922474.db2.gz WGRZHCGDVKMHJE-UHFFFAOYSA-N -1 3 384.400 2.310 20 5 GEBDHM CCc1nnc(NCc2ccc(OC)c([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1CC ZINC000821542656 606922476 /nfs/dbraw/zinc/92/24/76/606922476.db2.gz WGRZHCGDVKMHJE-UHFFFAOYSA-N -1 3 384.400 2.310 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822212831 607143260 /nfs/dbraw/zinc/14/32/60/607143260.db2.gz ISDHQRRRUUFWMZ-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822212831 607143261 /nfs/dbraw/zinc/14/32/61/607143261.db2.gz ISDHQRRRUUFWMZ-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823643745 607166808 /nfs/dbraw/zinc/16/68/08/607166808.db2.gz AIHJJLJCONXIBI-UHFFFAOYSA-N -1 3 390.363 2.388 20 5 GEBDHM O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823643745 607166811 /nfs/dbraw/zinc/16/68/11/607166811.db2.gz AIHJJLJCONXIBI-UHFFFAOYSA-N -1 3 390.363 2.388 20 5 GEBDHM CCOc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000825615604 607787374 /nfs/dbraw/zinc/78/73/74/607787374.db2.gz CENLUHFTRNWGBY-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM CCOc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000825615604 607787375 /nfs/dbraw/zinc/78/73/75/607787375.db2.gz CENLUHFTRNWGBY-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM O=[N+]([O-])c1ccc(CSC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826498126 607816490 /nfs/dbraw/zinc/81/64/90/607816490.db2.gz IGZPONQMUNQZHT-HNNXBMFYSA-N -1 3 387.421 2.448 20 5 GEBDHM CCCN(CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825313513 607820573 /nfs/dbraw/zinc/82/05/73/607820573.db2.gz IFGWEEUROUDIJD-UHFFFAOYSA-N -1 3 392.420 2.229 20 5 GEBDHM CCCN(CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825313513 607820574 /nfs/dbraw/zinc/82/05/74/607820574.db2.gz IFGWEEUROUDIJD-UHFFFAOYSA-N -1 3 392.420 2.229 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826498339 607872286 /nfs/dbraw/zinc/87/22/86/607872286.db2.gz QJMJTWGWEGOHRO-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499274 607872856 /nfs/dbraw/zinc/87/28/56/607872856.db2.gz CCVYOBIYDFEWAX-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499274 607872857 /nfs/dbraw/zinc/87/28/57/607872857.db2.gz CCVYOBIYDFEWAX-GFCCVEGCSA-N -1 3 391.771 2.247 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824746541 607956651 /nfs/dbraw/zinc/95/66/51/607956651.db2.gz VVULLTWRUNMHEL-LBPRGKRZSA-N -1 3 394.391 2.127 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824746541 607956652 /nfs/dbraw/zinc/95/66/52/607956652.db2.gz VVULLTWRUNMHEL-LBPRGKRZSA-N -1 3 394.391 2.127 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826421783 607970003 /nfs/dbraw/zinc/97/00/03/607970003.db2.gz ZAJGUILKPDASHY-UHFFFAOYSA-N -1 3 377.364 2.115 20 5 GEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826421783 607970004 /nfs/dbraw/zinc/97/00/04/607970004.db2.gz ZAJGUILKPDASHY-UHFFFAOYSA-N -1 3 377.364 2.115 20 5 GEBDHM COc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826180601 608052106 /nfs/dbraw/zinc/05/21/06/608052106.db2.gz ORGVJQZRFYVAOA-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM COc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826180601 608052107 /nfs/dbraw/zinc/05/21/07/608052107.db2.gz ORGVJQZRFYVAOA-KRWDZBQOSA-N -1 3 382.380 2.361 20 5 GEBDHM O=c1ccc([N+](=O)[O-])cn1CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826501682 608077496 /nfs/dbraw/zinc/07/74/96/608077496.db2.gz BSEOZNBPYVGNHB-UHFFFAOYSA-N -1 3 378.801 2.382 20 5 GEBDHM O=c1ccc([N+](=O)[O-])cn1CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826501682 608077497 /nfs/dbraw/zinc/07/74/97/608077497.db2.gz BSEOZNBPYVGNHB-UHFFFAOYSA-N -1 3 378.801 2.382 20 5 GEBDHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826281636 608081740 /nfs/dbraw/zinc/08/17/40/608081740.db2.gz CNQYARKAHGPTBM-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826281636 608081741 /nfs/dbraw/zinc/08/17/41/608081741.db2.gz CNQYARKAHGPTBM-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000826161736 608138112 /nfs/dbraw/zinc/13/81/12/608138112.db2.gz XHNKPXOCTFXAGK-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000826161736 608138113 /nfs/dbraw/zinc/13/81/13/608138113.db2.gz XHNKPXOCTFXAGK-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM Cc1nn(C)c(Cl)c1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826333921 608161562 /nfs/dbraw/zinc/16/15/62/608161562.db2.gz ZLPXHGAGJZXRKU-UHFFFAOYSA-N -1 3 397.182 2.376 20 5 GEBDHM Cc1nn(C)c(Cl)c1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826333921 608161563 /nfs/dbraw/zinc/16/15/63/608161563.db2.gz ZLPXHGAGJZXRKU-UHFFFAOYSA-N -1 3 397.182 2.376 20 5 GEBDHM COc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826214542 608162697 /nfs/dbraw/zinc/16/26/97/608162697.db2.gz ORANNNATZAOGFG-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM COc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826214542 608162699 /nfs/dbraw/zinc/16/26/99/608162699.db2.gz ORANNNATZAOGFG-UHFFFAOYSA-N -1 3 375.732 2.084 20 5 GEBDHM O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1sccc1-c1nnn[n-]1 ZINC000826409471 608173546 /nfs/dbraw/zinc/17/35/46/608173546.db2.gz AMVWPHCITHRCPY-UHFFFAOYSA-N -1 3 399.436 2.440 20 5 GEBDHM O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1sccc1-c1nn[n-]n1 ZINC000826409471 608173548 /nfs/dbraw/zinc/17/35/48/608173548.db2.gz AMVWPHCITHRCPY-UHFFFAOYSA-N -1 3 399.436 2.440 20 5 GEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824723892 608182321 /nfs/dbraw/zinc/18/23/21/608182321.db2.gz WJFBPRRQMDQZKW-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824723892 608182322 /nfs/dbraw/zinc/18/23/22/608182322.db2.gz WJFBPRRQMDQZKW-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826273242 608336978 /nfs/dbraw/zinc/33/69/78/608336978.db2.gz VEYDXOYXBBRLQI-LBPRGKRZSA-N -1 3 394.391 2.440 20 5 GEBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Cn1cccn1 ZINC000824429418 608367973 /nfs/dbraw/zinc/36/79/73/608367973.db2.gz WITWAWKRBTWTPG-NSHDSACASA-N -1 3 379.384 2.268 20 5 GEBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)Cn1cccn1 ZINC000824429418 608367974 /nfs/dbraw/zinc/36/79/74/608367974.db2.gz WITWAWKRBTWTPG-NSHDSACASA-N -1 3 379.384 2.268 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4cc[nH]n4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499593 608372090 /nfs/dbraw/zinc/37/20/90/608372090.db2.gz ORTZWXBCSYALQZ-LLVKDONJSA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4cc[nH]n4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499593 608372091 /nfs/dbraw/zinc/37/20/91/608372091.db2.gz ORTZWXBCSYALQZ-LLVKDONJSA-N -1 3 391.395 2.430 20 5 GEBDHM Cc1oc(NC(=O)CN2CCc3cc(C)c([N+](=O)[O-])cc32)c(-c2nnn[n-]2)c1C ZINC000826273328 608384841 /nfs/dbraw/zinc/38/48/41/608384841.db2.gz ZAHRSAUPWYCUON-UHFFFAOYSA-N -1 3 397.395 2.294 20 5 GEBDHM C[C@@H](c1cccc(F)c1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824771518 608409878 /nfs/dbraw/zinc/40/98/78/608409878.db2.gz QRKUPYQPAPHOSL-LBPRGKRZSA-N -1 3 398.402 2.192 20 5 GEBDHM C[C@@H](c1cccc(F)c1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824771518 608409879 /nfs/dbraw/zinc/40/98/79/608409879.db2.gz QRKUPYQPAPHOSL-LBPRGKRZSA-N -1 3 398.402 2.192 20 5 GEBDHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867299 608545766 /nfs/dbraw/zinc/54/57/66/608545766.db2.gz OZVCJVLBLFNOMF-JGVFFNPUSA-N -1 3 378.776 2.372 20 5 GEBDHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867299 608545769 /nfs/dbraw/zinc/54/57/69/608545769.db2.gz OZVCJVLBLFNOMF-JGVFFNPUSA-N -1 3 378.776 2.372 20 5 GEBDHM Cc1ccc([C@H](C)NCC(=O)Nc2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826283322 608554247 /nfs/dbraw/zinc/55/42/47/608554247.db2.gz OQKPPSCNQKJLQT-JTQLQIEISA-N -1 3 387.425 2.434 20 5 GEBDHM CC(C)(C)OC(=O)C1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824094483 608797841 /nfs/dbraw/zinc/79/78/41/608797841.db2.gz XBGHFTMVICZPSJ-UHFFFAOYSA-N -1 3 389.416 2.482 20 5 GEBDHM CC(C)(C)OC(=O)C1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824094483 608797842 /nfs/dbraw/zinc/79/78/42/608797842.db2.gz XBGHFTMVICZPSJ-UHFFFAOYSA-N -1 3 389.416 2.482 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826272334 609163560 /nfs/dbraw/zinc/16/35/60/609163560.db2.gz DUONWVAAGKCNHS-UHFFFAOYSA-N -1 3 399.363 2.084 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826272334 609163561 /nfs/dbraw/zinc/16/35/61/609163561.db2.gz DUONWVAAGKCNHS-UHFFFAOYSA-N -1 3 399.363 2.084 20 5 GEBDHM Cn1ccnc1[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826364504 609172346 /nfs/dbraw/zinc/17/23/46/609172346.db2.gz YHVAHQDWQPQASR-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826364504 609172348 /nfs/dbraw/zinc/17/23/48/609172348.db2.gz YHVAHQDWQPQASR-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000824019511 609419780 /nfs/dbraw/zinc/41/97/80/609419780.db2.gz DSJUEXMAXMVAIG-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000824019511 609419782 /nfs/dbraw/zinc/41/97/82/609419782.db2.gz DSJUEXMAXMVAIG-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM COc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1-c1nnn[n-]1 ZINC000826204414 609437541 /nfs/dbraw/zinc/43/75/41/609437541.db2.gz KDJLUTAXHGZZNR-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM COc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1-c1nn[n-]n1 ZINC000826204414 609437544 /nfs/dbraw/zinc/43/75/44/609437544.db2.gz KDJLUTAXHGZZNR-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826327545 609618720 /nfs/dbraw/zinc/61/87/20/609618720.db2.gz LJDKZLFVAYWNOB-UHFFFAOYSA-N -1 3 391.775 2.067 20 5 GEBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826327545 609618721 /nfs/dbraw/zinc/61/87/21/609618721.db2.gz LJDKZLFVAYWNOB-UHFFFAOYSA-N -1 3 391.775 2.067 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F)OCCO2 ZINC000451828547 650145744 /nfs/dbraw/zinc/14/57/44/650145744.db2.gz WHJNZIFJMLJOBQ-SECBINFHSA-N -1 3 378.353 2.080 20 5 GEBDHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451974926 650159766 /nfs/dbraw/zinc/15/97/66/650159766.db2.gz JTCMTFRJFLGTIJ-GHMZBOCLSA-N -1 3 381.248 2.185 20 5 GEBDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000451993119 650163166 /nfs/dbraw/zinc/16/31/66/650163166.db2.gz OYJLQJRDNLPKCY-OQPBUACISA-N -1 3 393.259 2.449 20 5 GEBDHM Cn1nc2c(c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCCC2 ZINC000462146704 650471153 /nfs/dbraw/zinc/47/11/53/650471153.db2.gz PNCZXPMISFGEAH-UHFFFAOYSA-N -1 3 384.845 2.339 20 5 GEBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000511220247 650529510 /nfs/dbraw/zinc/52/95/10/650529510.db2.gz BVDOPCKUJMPPQA-UHFFFAOYSA-N -1 3 376.818 2.402 20 5 GEBDHM CCOc1ccc(F)c([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1F ZINC000534617599 650778350 /nfs/dbraw/zinc/77/83/50/650778350.db2.gz VPULWXBDFXLYDE-UHFFFAOYSA-N -1 3 376.341 2.289 20 5 GEBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000066001708 642894536 /nfs/dbraw/zinc/89/45/36/642894536.db2.gz FTDYAJXBMYUJGA-LLVKDONJSA-N -1 3 388.398 2.378 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2ccco2)c1 ZINC000119287435 643545382 /nfs/dbraw/zinc/54/53/82/643545382.db2.gz XFKZPFRESHZLOH-UHFFFAOYSA-N -1 3 375.200 2.471 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c1 ZINC000121287636 643630488 /nfs/dbraw/zinc/63/04/88/643630488.db2.gz PBQJTFCLESYPJH-JOYOIKCWSA-N -1 3 393.259 2.187 20 5 GEBDHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000122516672 643656977 /nfs/dbraw/zinc/65/69/77/643656977.db2.gz LSAOPCICNQUBPU-LLVKDONJSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1nc(C)c(CC(=O)OCc2ccc([N+](=O)[O-])cc2Br)c(=O)[n-]1 ZINC000125326438 643706453 /nfs/dbraw/zinc/70/64/53/643706453.db2.gz OOKAGGCAFLFVAS-UHFFFAOYSA-N -1 3 396.197 2.343 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccon1 ZINC000542119408 650887559 /nfs/dbraw/zinc/88/75/59/650887559.db2.gz ZSDODPRVQWARJL-SSDOTTSWSA-N -1 3 376.188 2.385 20 5 GEBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000544844680 650956084 /nfs/dbraw/zinc/95/60/84/650956084.db2.gz YZCWSHQRHPBAFL-QMMMGPOBSA-N -1 3 384.332 2.391 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(Br)c1 ZINC000269488945 646039917 /nfs/dbraw/zinc/03/99/17/646039917.db2.gz RTTIBKNPASFUKW-SNVBAGLBSA-N -1 3 379.232 2.205 20 5 GEBDHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000271125398 646176152 /nfs/dbraw/zinc/17/61/52/646176152.db2.gz QTFZPZLBGUWEMR-UHFFFAOYSA-N -1 3 384.483 2.406 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271306733 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CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599397004 652866140 /nfs/dbraw/zinc/86/61/40/652866140.db2.gz MYYGINSMLQFLOO-OQPBUACISA-N -1 3 380.344 2.459 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599481412 652875589 /nfs/dbraw/zinc/87/55/89/652875589.db2.gz CTEGNUOEGFROLT-ZYHUDNBSSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601374677 653089364 /nfs/dbraw/zinc/08/93/64/653089364.db2.gz HYMZBIFIACVPNI-XHDPSFHLSA-N -1 3 390.458 2.375 20 5 GEBDHM CN(C)[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCSC1 ZINC000809824877 653302618 /nfs/dbraw/zinc/30/26/18/653302618.db2.gz WNVOAOUJQKVGLW-CYBMUJFWSA-N -1 3 397.881 2.103 20 5 GEBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825239 653302988 /nfs/dbraw/zinc/30/29/88/653302988.db2.gz CEIIVWPVRWWAHV-PELKAZGASA-N -1 3 377.825 2.148 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c1 ZINC000810115337 653326692 /nfs/dbraw/zinc/32/66/92/653326692.db2.gz WEGRIJRUWLIAPR-GFCCVEGCSA-N -1 3 393.259 2.187 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)O ZINC000815081583 653650336 /nfs/dbraw/zinc/65/03/36/653650336.db2.gz JAQUHOFWFOZFOZ-LLVKDONJSA-N -1 3 381.248 2.185 20 5 GEBDHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784397524 653693036 /nfs/dbraw/zinc/69/30/36/653693036.db2.gz NCIJVJKANFXBOT-QPUJVOFHSA-N -1 3 379.232 2.203 20 5 GEBDHM Cn1cc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1Cl ZINC000785289565 653706827 /nfs/dbraw/zinc/70/68/27/653706827.db2.gz NHAXZRBRPLJIJU-UHFFFAOYSA-N -1 3 398.750 2.479 20 5 GEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000841535312 653729287 /nfs/dbraw/zinc/72/92/87/653729287.db2.gz QYCAAXYHQMLIOK-SCZZXKLOSA-N -1 3 379.232 2.203 20 5 GEBDHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl 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XHXVLUCQWDQPRK-UHFFFAOYSA-N -1 3 387.849 2.116 20 5 GEBDHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831842929 654213292 /nfs/dbraw/zinc/21/32/92/654213292.db2.gz DGYQXNWAKYDOJJ-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000921422510 654266288 /nfs/dbraw/zinc/26/62/88/654266288.db2.gz ZAXKUDVOUNVRJI-MRVPVSSYSA-N -1 3 381.248 2.449 20 5 GEBDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000832523443 654271698 /nfs/dbraw/zinc/27/16/98/654271698.db2.gz GRRTXZCZHCRPSH-OQPBUACISA-N -1 3 393.259 2.449 20 5 GEBDHM CN(CC(=O)NCc1ncccc1[O-])c1cc(Br)ccc1[N+](=O)[O-] ZINC000803279172 654271697 /nfs/dbraw/zinc/27/16/97/654271697.db2.gz FEMJAIQSBGQMLU-UHFFFAOYSA-N -1 3 395.213 2.211 20 5 GEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2ccccn21 ZINC000155690194 531697028 /nfs/dbraw/zinc/69/70/28/531697028.db2.gz QKBBTELVGBFGIS-CYBMUJFWSA-N -1 3 381.439 2.375 20 5 GEBDHM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056061818 531803895 /nfs/dbraw/zinc/80/38/95/531803895.db2.gz CXLUVGIZAOZZDY-UHFFFAOYSA-N -1 3 377.850 2.175 20 5 GEBDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000063766235 531860839 /nfs/dbraw/zinc/86/08/39/531860839.db2.gz IQPDYLFJVOUCMO-UHFFFAOYSA-N -1 3 383.813 2.474 20 5 GEBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120770119 531995144 /nfs/dbraw/zinc/99/51/44/531995144.db2.gz CUQLURRDWOTCHV-DTWKUNHWSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccnc2-n2cccn2)cc1[N+](=O)[O-] ZINC000123104141 532092897 /nfs/dbraw/zinc/09/28/97/532092897.db2.gz NHKSJFMYNRCPQS-UHFFFAOYSA-N -1 3 379.423 2.024 20 5 GEBDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1[O-] ZINC000176434791 532136881 /nfs/dbraw/zinc/13/68/81/532136881.db2.gz WQEZGHKCGWVPLZ-UHFFFAOYSA-N -1 3 394.181 2.431 20 5 GEBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000128850639 532169982 /nfs/dbraw/zinc/16/99/82/532169982.db2.gz OQWXJCBSUYNMTF-JTQLQIEISA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCOC2)ccc1Br ZINC000178308617 532199075 /nfs/dbraw/zinc/19/90/75/532199075.db2.gz BFOXFGCWMBKYJF-SECBINFHSA-N -1 3 379.232 2.062 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1cccc(Cl)c1F ZINC000150928196 532304150 /nfs/dbraw/zinc/30/41/50/532304150.db2.gz QQAQVGVJNULOHH-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)cc1Br ZINC000188929829 532350195 /nfs/dbraw/zinc/35/01/95/532350195.db2.gz VTLTXZVFMRAXBC-JOYOIKCWSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000278389220 532376989 /nfs/dbraw/zinc/37/69/89/532376989.db2.gz MIFJFWOLUNBWIG-UHFFFAOYSA-N -1 3 385.829 2.042 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000372257427 532379752 /nfs/dbraw/zinc/37/97/52/532379752.db2.gz BDTRQHOXJPZXQT-DGCLKSJQSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)cc1[N+](=O)[O-] ZINC000467414817 532447041 /nfs/dbraw/zinc/44/70/41/532447041.db2.gz BIUWUEZPVVLEDM-UHFFFAOYSA-N -1 3 388.398 2.449 20 5 GEBDHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000297023986 532560005 /nfs/dbraw/zinc/56/00/05/532560005.db2.gz KSPXBIQCBNAXLM-JTQLQIEISA-N -1 3 383.451 2.332 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CCC(O)CC2)c1 ZINC000595350345 532560269 /nfs/dbraw/zinc/56/02/69/532560269.db2.gz AJCKPTYSPHATJG-UHFFFAOYSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](c2nncn2C)C(C)C)c1 ZINC000285141775 532651688 /nfs/dbraw/zinc/65/16/88/532651688.db2.gz AWACTFMAXXIXKO-ZDUSSCGKSA-N -1 3 387.849 2.361 20 5 GEBDHM Cc1c(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000437413641 532657917 /nfs/dbraw/zinc/65/79/17/532657917.db2.gz UBMKGABYXLNHKA-UHFFFAOYSA-N -1 3 384.439 2.065 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[S@](=O)Cc1ccccc1 ZINC000264620410 532678892 /nfs/dbraw/zinc/67/88/92/532678892.db2.gz NNMVYGNTYVFQRD-DEOSSOPVSA-N -1 3 382.463 2.130 20 5 GEBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000539222410 532726765 /nfs/dbraw/zinc/72/67/65/532726765.db2.gz CWEGHAPKXXBOEE-ZANVPECISA-N -1 3 393.259 2.451 20 5 GEBDHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000614551858 532741490 /nfs/dbraw/zinc/74/14/90/532741490.db2.gz DCONEMKZPKYKRE-UHFFFAOYSA-N -1 3 376.406 2.105 20 5 GEBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000286554106 532754538 /nfs/dbraw/zinc/75/45/38/532754538.db2.gz HUCUZLAHBIJUGW-UHFFFAOYSA-N -1 3 389.231 2.176 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c(F)c1 ZINC000269152378 532776092 /nfs/dbraw/zinc/77/60/92/532776092.db2.gz SRLHZJKWFTYARI-HZMBPMFUSA-N -1 3 376.431 2.067 20 5 GEBDHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269702432 532786838 /nfs/dbraw/zinc/78/68/38/532786838.db2.gz LIRWKKGOHXLXQA-VIFPVBQESA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000548697507 532793454 /nfs/dbraw/zinc/79/34/54/532793454.db2.gz GKHOIICYBPUYHX-SNVBAGLBSA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000330481677 532819142 /nfs/dbraw/zinc/81/91/42/532819142.db2.gz SCGMOWUJEJVRGH-STQMWFEESA-N -1 3 393.259 2.187 20 5 GEBDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000330979313 532831506 /nfs/dbraw/zinc/83/15/06/532831506.db2.gz GKIRNPAAYYVHJT-WCBMZHEXSA-N -1 3 379.232 2.203 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000275096053 532864846 /nfs/dbraw/zinc/86/48/46/532864846.db2.gz RXJJSWRFYUEMDV-UHFFFAOYSA-N -1 3 375.403 2.294 20 5 GEBDHM Cc1nnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000290236482 532875878 /nfs/dbraw/zinc/87/58/78/532875878.db2.gz PYYZEJBZONWYNY-UHFFFAOYSA-N -1 3 396.372 2.295 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CCOCC1 ZINC000292448291 532916537 /nfs/dbraw/zinc/91/65/37/532916537.db2.gz XTYQZCBIAUZGKB-UHFFFAOYSA-N -1 3 392.861 2.278 20 5 GEBDHM COc1cc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737042863 598889900 /nfs/dbraw/zinc/88/99/00/598889900.db2.gz UBAWELAZIKXBNY-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM COc1cc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737042863 598889903 /nfs/dbraw/zinc/88/99/03/598889903.db2.gz UBAWELAZIKXBNY-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898997 598899544 /nfs/dbraw/zinc/89/95/44/598899544.db2.gz LUFIUWQQXIBXFY-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898997 598899546 /nfs/dbraw/zinc/89/95/46/598899546.db2.gz LUFIUWQQXIBXFY-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737297943 598953677 /nfs/dbraw/zinc/95/36/77/598953677.db2.gz GSQARGAZFIDVCX-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737297943 598953679 /nfs/dbraw/zinc/95/36/79/598953679.db2.gz GSQARGAZFIDVCX-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000820468824 599041259 /nfs/dbraw/zinc/04/12/59/599041259.db2.gz WYIOODHBGODQNN-QGZVFWFLSA-N -1 3 381.352 2.236 20 5 GEBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000820468824 599041262 /nfs/dbraw/zinc/04/12/62/599041262.db2.gz WYIOODHBGODQNN-QGZVFWFLSA-N -1 3 381.352 2.236 20 5 GEBDHM C[C@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000820468823 599041496 /nfs/dbraw/zinc/04/14/96/599041496.db2.gz WYIOODHBGODQNN-KRWDZBQOSA-N -1 3 381.352 2.236 20 5 GEBDHM C[C@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000820468823 599041499 /nfs/dbraw/zinc/04/14/99/599041499.db2.gz WYIOODHBGODQNN-KRWDZBQOSA-N -1 3 381.352 2.236 20 5 GEBDHM CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735709791 599062753 /nfs/dbraw/zinc/06/27/53/599062753.db2.gz SBJRJWFGZDYROS-GFCCVEGCSA-N -1 3 392.420 2.131 20 5 GEBDHM CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735709791 599062755 /nfs/dbraw/zinc/06/27/55/599062755.db2.gz SBJRJWFGZDYROS-GFCCVEGCSA-N -1 3 392.420 2.131 20 5 GEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987984 599113348 /nfs/dbraw/zinc/11/33/48/599113348.db2.gz HWHMXUKDMHYSLK-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987984 599113349 /nfs/dbraw/zinc/11/33/49/599113349.db2.gz HWHMXUKDMHYSLK-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736818841 599251710 /nfs/dbraw/zinc/25/17/10/599251710.db2.gz YGPIKDXQVHIDMF-UHFFFAOYSA-N -1 3 391.395 2.123 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736818841 599251713 /nfs/dbraw/zinc/25/17/13/599251713.db2.gz YGPIKDXQVHIDMF-UHFFFAOYSA-N -1 3 391.395 2.123 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000737964571 598302948 /nfs/dbraw/zinc/30/29/48/598302948.db2.gz XGIAYOBUGWYFLF-UHFFFAOYSA-N -1 3 390.363 2.346 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000737964571 598302950 /nfs/dbraw/zinc/30/29/50/598302950.db2.gz XGIAYOBUGWYFLF-UHFFFAOYSA-N -1 3 390.363 2.346 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370263 598389992 /nfs/dbraw/zinc/38/99/92/598389992.db2.gz SYPICLKVBDFHNK-JTQLQIEISA-N -1 3 388.338 2.139 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370263 598389995 /nfs/dbraw/zinc/38/99/95/598389995.db2.gz SYPICLKVBDFHNK-JTQLQIEISA-N -1 3 388.338 2.139 20 5 GEBDHM COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737082860 598495253 /nfs/dbraw/zinc/49/52/53/598495253.db2.gz LDCRHFRDAHFCAJ-NSHDSACASA-N -1 3 382.380 2.203 20 5 GEBDHM COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737082860 598495254 /nfs/dbraw/zinc/49/52/54/598495254.db2.gz LDCRHFRDAHFCAJ-NSHDSACASA-N -1 3 382.380 2.203 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2cccc(OC[C@@H]3CCCO3)c2)c(-c2nnn[n-]2)c1 ZINC000738374200 598498851 /nfs/dbraw/zinc/49/88/51/598498851.db2.gz KXLARFKBGQERRO-AWEZNQCLSA-N -1 3 383.368 2.471 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2cccc(OC[C@@H]3CCCO3)c2)c(-c2nn[n-]n2)c1 ZINC000738374200 598498853 /nfs/dbraw/zinc/49/88/53/598498853.db2.gz KXLARFKBGQERRO-AWEZNQCLSA-N -1 3 383.368 2.471 20 5 GEBDHM CCOCCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736627470 598499096 /nfs/dbraw/zinc/49/90/96/598499096.db2.gz VQOKWXFJUXMZGT-UHFFFAOYSA-N -1 3 385.384 2.467 20 5 GEBDHM CCOCCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736627470 598499097 /nfs/dbraw/zinc/49/90/97/598499097.db2.gz VQOKWXFJUXMZGT-UHFFFAOYSA-N -1 3 385.384 2.467 20 5 GEBDHM COc1cccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737137237 598601736 /nfs/dbraw/zinc/60/17/36/598601736.db2.gz CMLSRRNJOCZYGF-ZDUSSCGKSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1cccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737137237 598601738 /nfs/dbraw/zinc/60/17/38/598601738.db2.gz CMLSRRNJOCZYGF-ZDUSSCGKSA-N -1 3 381.396 2.474 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000737942384 598650771 /nfs/dbraw/zinc/65/07/71/598650771.db2.gz ZKAIMSKQSGYXPA-UHFFFAOYSA-N -1 3 399.436 2.095 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000737942384 598650772 /nfs/dbraw/zinc/65/07/72/598650772.db2.gz ZKAIMSKQSGYXPA-UHFFFAOYSA-N -1 3 399.436 2.095 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000737946860 598715927 /nfs/dbraw/zinc/71/59/27/598715927.db2.gz HCTXPAUUUBWBLR-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000737946860 598715929 /nfs/dbraw/zinc/71/59/29/598715929.db2.gz HCTXPAUUUBWBLR-UHFFFAOYSA-N -1 3 399.388 2.293 20 5 GEBDHM COC(=O)CCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736912462 598773066 /nfs/dbraw/zinc/77/30/66/598773066.db2.gz BUOVZTPTYRNQHE-UHFFFAOYSA-N -1 3 399.367 2.246 20 5 GEBDHM COC(=O)CCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736912462 598773067 /nfs/dbraw/zinc/77/30/67/598773067.db2.gz BUOVZTPTYRNQHE-UHFFFAOYSA-N -1 3 399.367 2.246 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000736842036 598776059 /nfs/dbraw/zinc/77/60/59/598776059.db2.gz MGEIVGASSAMFGL-INIZCTEOSA-N -1 3 397.370 2.156 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000736842036 598776060 /nfs/dbraw/zinc/77/60/60/598776060.db2.gz MGEIVGASSAMFGL-INIZCTEOSA-N -1 3 397.370 2.156 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736187294 598778530 /nfs/dbraw/zinc/77/85/30/598778530.db2.gz IAGDCYQYARBFOL-JTQLQIEISA-N -1 3 387.327 2.425 20 5 GEBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736187294 598778532 /nfs/dbraw/zinc/77/85/32/598778532.db2.gz IAGDCYQYARBFOL-JTQLQIEISA-N -1 3 387.327 2.425 20 5 GEBDHM C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736187982 598802172 /nfs/dbraw/zinc/80/21/72/598802172.db2.gz FUYNHWFQIFVDPR-MRVPVSSYSA-N -1 3 389.759 2.229 20 5 GEBDHM C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736187982 598802173 /nfs/dbraw/zinc/80/21/73/598802173.db2.gz FUYNHWFQIFVDPR-MRVPVSSYSA-N -1 3 389.759 2.229 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738152612 598806660 /nfs/dbraw/zinc/80/66/60/598806660.db2.gz YOZBLCVLYBBCCE-UHFFFAOYSA-N -1 3 380.368 2.022 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738152612 598806661 /nfs/dbraw/zinc/80/66/61/598806661.db2.gz YOZBLCVLYBBCCE-UHFFFAOYSA-N -1 3 380.368 2.022 20 5 GEBDHM O=C(CSc1ccccc1-c1nnn[n-]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823070996 599345989 /nfs/dbraw/zinc/34/59/89/599345989.db2.gz WRWSDKUNKMKTEL-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1ccccc1-c1nn[n-]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823070996 599345992 /nfs/dbraw/zinc/34/59/92/599345992.db2.gz WRWSDKUNKMKTEL-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(C/C=C\c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823651121 599397793 /nfs/dbraw/zinc/39/77/93/599397793.db2.gz GOCBZZLQKNMLDA-DAXSKMNVSA-N -1 3 392.423 2.005 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCN(C/C=C\c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823651121 599397796 /nfs/dbraw/zinc/39/77/96/599397796.db2.gz GOCBZZLQKNMLDA-DAXSKMNVSA-N -1 3 392.423 2.005 20 5 GEBDHM C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820367434 599421939 /nfs/dbraw/zinc/42/19/39/599421939.db2.gz SKMLMLMWKFVMGQ-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820367434 599421941 /nfs/dbraw/zinc/42/19/41/599421941.db2.gz SKMLMLMWKFVMGQ-SNVBAGLBSA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820365955 599455524 /nfs/dbraw/zinc/45/55/24/599455524.db2.gz MFUKZXNHNCUWPA-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820365955 599455526 /nfs/dbraw/zinc/45/55/26/599455526.db2.gz MFUKZXNHNCUWPA-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821612003 599456446 /nfs/dbraw/zinc/45/64/46/599456446.db2.gz DMRUSWOFRDNAJU-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821612003 599456448 /nfs/dbraw/zinc/45/64/48/599456448.db2.gz DMRUSWOFRDNAJU-UHFFFAOYSA-N -1 3 381.396 2.159 20 5 GEBDHM C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820327888 599499299 /nfs/dbraw/zinc/49/92/99/599499299.db2.gz KMFKPDUCBXVBHP-GFCCVEGCSA-N -1 3 381.396 2.454 20 5 GEBDHM C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820327888 599499301 /nfs/dbraw/zinc/49/93/01/599499301.db2.gz KMFKPDUCBXVBHP-GFCCVEGCSA-N -1 3 381.396 2.454 20 5 GEBDHM COc1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC000826211747 607382520 /nfs/dbraw/zinc/38/25/20/607382520.db2.gz SDSJCXZVNNQPRK-UHFFFAOYSA-N -1 3 399.363 2.328 20 5 GEBDHM COc1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC000826211747 607382522 /nfs/dbraw/zinc/38/25/22/607382522.db2.gz SDSJCXZVNNQPRK-UHFFFAOYSA-N -1 3 399.363 2.328 20 5 GEBDHM COc1cc(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821727053 599536743 /nfs/dbraw/zinc/53/67/43/599536743.db2.gz AEVLMSKLOYNWKE-LLVKDONJSA-N -1 3 398.379 2.040 20 5 GEBDHM COc1cc(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821727053 599536745 /nfs/dbraw/zinc/53/67/45/599536745.db2.gz AEVLMSKLOYNWKE-LLVKDONJSA-N -1 3 398.379 2.040 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCOc3cccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645603 599558828 /nfs/dbraw/zinc/55/88/28/599558828.db2.gz UVFCNTOGGZROMH-UHFFFAOYSA-N -1 3 378.352 2.209 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCOc3cccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645603 599558829 /nfs/dbraw/zinc/55/88/29/599558829.db2.gz UVFCNTOGGZROMH-UHFFFAOYSA-N -1 3 378.352 2.209 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000826253759 607405336 /nfs/dbraw/zinc/40/53/36/607405336.db2.gz CGZJIHPSHQSQRO-UHFFFAOYSA-N -1 3 383.320 2.169 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000826253759 607405337 /nfs/dbraw/zinc/40/53/37/607405337.db2.gz CGZJIHPSHQSQRO-UHFFFAOYSA-N -1 3 383.320 2.169 20 5 GEBDHM CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829949 607434178 /nfs/dbraw/zinc/43/41/78/607434178.db2.gz LSADXJSIRQGYGO-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000824976846 607450010 /nfs/dbraw/zinc/45/00/10/607450010.db2.gz PBQCVWVXFZUTDL-TXEJJXNPSA-N -1 3 375.433 2.075 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000826497996 607465924 /nfs/dbraw/zinc/46/59/24/607465924.db2.gz CILSJDHSRCRHEK-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000826497996 607465926 /nfs/dbraw/zinc/46/59/26/607465926.db2.gz CILSJDHSRCRHEK-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513120 607466716 /nfs/dbraw/zinc/46/67/16/607466716.db2.gz SXBFKMGRQVWKTI-SNVBAGLBSA-N -1 3 389.422 2.129 20 5 GEBDHM O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513120 607466718 /nfs/dbraw/zinc/46/67/18/607466718.db2.gz SXBFKMGRQVWKTI-SNVBAGLBSA-N -1 3 389.422 2.129 20 5 GEBDHM Cc1c(C(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cccc1[N+](=O)[O-] ZINC000826234962 607468090 /nfs/dbraw/zinc/46/80/90/607468090.db2.gz WORVVELILDPYAE-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM Cc1c(C(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cccc1[N+](=O)[O-] ZINC000826234962 607468091 /nfs/dbraw/zinc/46/80/91/607468091.db2.gz WORVVELILDPYAE-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM O=C([O-])CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000833235726 600860653 /nfs/dbraw/zinc/86/06/53/600860653.db2.gz AKBJTCXTGRTDJS-UHFFFAOYSA-N -1 3 376.369 2.101 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739931867 601971654 /nfs/dbraw/zinc/97/16/54/601971654.db2.gz FLNNPPMEQKGURF-ZDUSSCGKSA-N -1 3 380.401 2.006 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H]([C@@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499353 607543948 /nfs/dbraw/zinc/54/39/48/607543948.db2.gz FSHBPDYXBNOTIX-NWDGAFQWSA-N -1 3 381.396 2.186 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H]([C@@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499353 607543949 /nfs/dbraw/zinc/54/39/49/607543949.db2.gz FSHBPDYXBNOTIX-NWDGAFQWSA-N -1 3 381.396 2.186 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([C@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499352 607544066 /nfs/dbraw/zinc/54/40/66/607544066.db2.gz FSHBPDYXBNOTIX-NEPJUHHUSA-N -1 3 381.396 2.186 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([C@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499352 607544067 /nfs/dbraw/zinc/54/40/67/607544067.db2.gz FSHBPDYXBNOTIX-NEPJUHHUSA-N -1 3 381.396 2.186 20 5 GEBDHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000739010540 602991418 /nfs/dbraw/zinc/99/14/18/602991418.db2.gz OHKRRNMCWYGXHZ-GXTWGEPZSA-N -1 3 392.412 2.403 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826498310 607660128 /nfs/dbraw/zinc/66/01/28/607660128.db2.gz PDQSASSXJNYLMG-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826245544 607665106 /nfs/dbraw/zinc/66/51/06/607665106.db2.gz BAUWOLSGSFERDM-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000826245544 607665108 /nfs/dbraw/zinc/66/51/08/607665108.db2.gz BAUWOLSGSFERDM-UHFFFAOYSA-N -1 3 393.407 2.046 20 5 GEBDHM CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H](C)C1 ZINC000833657681 605007179 /nfs/dbraw/zinc/00/71/79/605007179.db2.gz NULOUXJSKMRPQK-FZMZJTMJSA-N -1 3 381.454 2.232 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826497381 607734312 /nfs/dbraw/zinc/73/43/12/607734312.db2.gz FRHSJMAYYIABRU-IAQYHMDHSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826497381 607734313 /nfs/dbraw/zinc/73/43/13/607734313.db2.gz FRHSJMAYYIABRU-IAQYHMDHSA-N -1 3 388.334 2.365 20 5 GEBDHM O=C([O-])N1CCC[C@@H]1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000834107320 605351381 /nfs/dbraw/zinc/35/13/81/605351381.db2.gz MIJMOTMJUPJLNW-JKSUJKDBSA-N -1 3 393.440 2.189 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000833907166 605547887 /nfs/dbraw/zinc/54/78/87/605547887.db2.gz CEHLPJGWOOJROQ-ZIAGYGMSSA-N -1 3 378.429 2.060 20 5 GEBDHM Cc1ccc([C@@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228851 606581604 /nfs/dbraw/zinc/58/16/04/606581604.db2.gz HAYQJJJGUBXONC-GFCCVEGCSA-N -1 3 381.396 2.373 20 5 GEBDHM CC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914910 606588733 /nfs/dbraw/zinc/58/87/33/606588733.db2.gz RUNROYLZYVGNQZ-MRXNPFEDSA-N -1 3 382.380 2.421 20 5 GEBDHM CC[C@@H](N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920353 606621389 /nfs/dbraw/zinc/62/13/89/606621389.db2.gz PGNRKWWSENEIRI-CVEARBPZSA-N -1 3 381.396 2.042 20 5 GEBDHM CC[C@@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920353 606621391 /nfs/dbraw/zinc/62/13/91/606621391.db2.gz PGNRKWWSENEIRI-CVEARBPZSA-N -1 3 381.396 2.042 20 5 GEBDHM O=[N+]([O-])c1cc(N[C@@H](CN2CCOCC2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000823634842 606645240 /nfs/dbraw/zinc/64/52/40/606645240.db2.gz NGJUOXNOEQXHAT-KRWDZBQOSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cc(N[C@@H](CN2CCOCC2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000823634842 606645241 /nfs/dbraw/zinc/64/52/41/606645241.db2.gz NGJUOXNOEQXHAT-KRWDZBQOSA-N -1 3 395.423 2.260 20 5 GEBDHM Cc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)s1 ZINC000822226463 606645647 /nfs/dbraw/zinc/64/56/47/606645647.db2.gz SZDMUXRYQSNBGO-UHFFFAOYSA-N -1 3 399.436 2.107 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821896828 606809209 /nfs/dbraw/zinc/80/92/09/606809209.db2.gz CEJNGABISBPEGQ-CYBMUJFWSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821896828 606809210 /nfs/dbraw/zinc/80/92/10/606809210.db2.gz CEJNGABISBPEGQ-CYBMUJFWSA-N -1 3 381.396 2.474 20 5 GEBDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821389384 606809349 /nfs/dbraw/zinc/80/93/49/606809349.db2.gz LGRJPDXAUYPQRX-UHFFFAOYSA-N -1 3 390.743 2.441 20 5 GEBDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821389384 606809351 /nfs/dbraw/zinc/80/93/51/606809351.db2.gz LGRJPDXAUYPQRX-UHFFFAOYSA-N -1 3 390.743 2.441 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823036714 606813217 /nfs/dbraw/zinc/81/32/17/606813217.db2.gz JAPRADGFLLGCNG-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823115888 606942399 /nfs/dbraw/zinc/94/23/99/606942399.db2.gz WMPMKLNGZOFJEB-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823115888 606942402 /nfs/dbraw/zinc/94/24/02/606942402.db2.gz WMPMKLNGZOFJEB-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM COc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821772678 606943370 /nfs/dbraw/zinc/94/33/70/606943370.db2.gz KYVYLEFXTDYAOF-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM COc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821772678 606943371 /nfs/dbraw/zinc/94/33/71/606943371.db2.gz KYVYLEFXTDYAOF-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000822222451 607049411 /nfs/dbraw/zinc/04/94/11/607049411.db2.gz HMQFVEMJRZIHLE-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000822222451 607049413 /nfs/dbraw/zinc/04/94/13/607049413.db2.gz HMQFVEMJRZIHLE-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823392166 607133695 /nfs/dbraw/zinc/13/36/95/607133695.db2.gz MGOLQMVUSHFESH-KGLIPLIRSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823392166 607133697 /nfs/dbraw/zinc/13/36/97/607133697.db2.gz MGOLQMVUSHFESH-KGLIPLIRSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823450432 607248391 /nfs/dbraw/zinc/24/83/91/607248391.db2.gz QQSNDAJJAOTRTQ-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000823450432 607248392 /nfs/dbraw/zinc/24/83/92/607248392.db2.gz QQSNDAJJAOTRTQ-UHFFFAOYSA-N -1 3 395.310 2.319 20 5 GEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379248 607798231 /nfs/dbraw/zinc/79/82/31/607798231.db2.gz DKFNOHWFTZZBOF-UHFFFAOYSA-N -1 3 383.324 2.350 20 5 GEBDHM CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379248 607798232 /nfs/dbraw/zinc/79/82/32/607798232.db2.gz DKFNOHWFTZZBOF-UHFFFAOYSA-N -1 3 383.324 2.350 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826417741 607834600 /nfs/dbraw/zinc/83/46/00/607834600.db2.gz CJXAMJKHGBAMQK-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826417741 607834601 /nfs/dbraw/zinc/83/46/01/607834601.db2.gz CJXAMJKHGBAMQK-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999262 607846302 /nfs/dbraw/zinc/84/63/02/607846302.db2.gz UDEMNUDRXROTPA-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM CN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825954178 607846853 /nfs/dbraw/zinc/84/68/53/607846853.db2.gz YHTGWHXEKVHKLR-UHFFFAOYSA-N -1 3 394.395 2.111 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)COc1ccccc1Cl ZINC000826497657 607869450 /nfs/dbraw/zinc/86/94/50/607869450.db2.gz OURDJAHLQWYVQV-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccccc1Cl ZINC000826497657 607869451 /nfs/dbraw/zinc/86/94/51/607869451.db2.gz OURDJAHLQWYVQV-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)CC(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000826499736 607935402 /nfs/dbraw/zinc/93/54/02/607935402.db2.gz VAKGHKIIARHOSE-ZETCQYMHSA-N -1 3 383.290 2.048 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)CC(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000826499736 607935403 /nfs/dbraw/zinc/93/54/03/607935403.db2.gz VAKGHKIIARHOSE-ZETCQYMHSA-N -1 3 383.290 2.048 20 5 GEBDHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824046485 607942867 /nfs/dbraw/zinc/94/28/67/607942867.db2.gz SLALHHCQRJLUJV-LBPRGKRZSA-N -1 3 393.407 2.160 20 5 GEBDHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824046485 607942868 /nfs/dbraw/zinc/94/28/68/607942868.db2.gz SLALHHCQRJLUJV-LBPRGKRZSA-N -1 3 393.407 2.160 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498004 607969911 /nfs/dbraw/zinc/96/99/11/607969911.db2.gz CTVOKHYBVVXFIL-BZNIZROVSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498004 607969912 /nfs/dbraw/zinc/96/99/12/607969912.db2.gz CTVOKHYBVVXFIL-BZNIZROVSA-N -1 3 388.334 2.365 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826212233 608067449 /nfs/dbraw/zinc/06/74/49/608067449.db2.gz KNRAZRPMIMGTAP-SFHVURJKSA-N -1 3 396.407 2.357 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826212233 608067450 /nfs/dbraw/zinc/06/74/50/608067450.db2.gz KNRAZRPMIMGTAP-SFHVURJKSA-N -1 3 396.407 2.357 20 5 GEBDHM O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826501020 608070436 /nfs/dbraw/zinc/07/04/36/608070436.db2.gz WBPWPJTZJFVPSG-SFHVURJKSA-N -1 3 396.407 2.227 20 5 GEBDHM O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826501020 608070437 /nfs/dbraw/zinc/07/04/37/608070437.db2.gz WBPWPJTZJFVPSG-SFHVURJKSA-N -1 3 396.407 2.227 20 5 GEBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826470225 608086435 /nfs/dbraw/zinc/08/64/35/608086435.db2.gz ISJHLXONKLKHAX-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826470225 608086436 /nfs/dbraw/zinc/08/64/36/608086436.db2.gz ISJHLXONKLKHAX-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826441420 608106804 /nfs/dbraw/zinc/10/68/04/608106804.db2.gz CRZQSZHFAJISDS-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826441420 608106805 /nfs/dbraw/zinc/10/68/05/608106805.db2.gz CRZQSZHFAJISDS-UHFFFAOYSA-N -1 3 381.327 2.325 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000826161376 608137217 /nfs/dbraw/zinc/13/72/17/608137217.db2.gz FIHYESNHYAHCIK-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000826161376 608137218 /nfs/dbraw/zinc/13/72/18/608137218.db2.gz FIHYESNHYAHCIK-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000824045290 608160253 /nfs/dbraw/zinc/16/02/53/608160253.db2.gz KUCDXZZTAQCAOG-MRVPVSSYSA-N -1 3 380.792 2.430 20 5 GEBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000824045290 608160254 /nfs/dbraw/zinc/16/02/54/608160254.db2.gz KUCDXZZTAQCAOG-MRVPVSSYSA-N -1 3 380.792 2.430 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1csc2cncn21 ZINC000826450875 608162441 /nfs/dbraw/zinc/16/24/41/608162441.db2.gz HKBWFUOGTDWBRL-UHFFFAOYSA-N -1 3 390.772 2.390 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1csc2cncn21 ZINC000826450875 608162443 /nfs/dbraw/zinc/16/24/43/608162443.db2.gz HKBWFUOGTDWBRL-UHFFFAOYSA-N -1 3 390.772 2.390 20 5 GEBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cn2ccccc2n1 ZINC000826451161 608163865 /nfs/dbraw/zinc/16/38/65/608163865.db2.gz SKVZYEQQVYPTKY-UHFFFAOYSA-N -1 3 384.743 2.328 20 5 GEBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cn2ccccc2n1 ZINC000826451161 608163867 /nfs/dbraw/zinc/16/38/67/608163867.db2.gz SKVZYEQQVYPTKY-UHFFFAOYSA-N -1 3 384.743 2.328 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824723830 608183629 /nfs/dbraw/zinc/18/36/29/608183629.db2.gz VAFWKMOAPHXXEX-SECBINFHSA-N -1 3 383.320 2.422 20 5 GEBDHM C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824723830 608183631 /nfs/dbraw/zinc/18/36/31/608183631.db2.gz VAFWKMOAPHXXEX-SECBINFHSA-N -1 3 383.320 2.422 20 5 GEBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H](O)C(F)(F)F ZINC000825149057 608232082 /nfs/dbraw/zinc/23/20/82/608232082.db2.gz UZCOPNJQYCRZBU-GXFFZTMASA-N -1 3 397.317 2.437 20 5 GEBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H](O)C(F)(F)F ZINC000825149057 608232083 /nfs/dbraw/zinc/23/20/83/608232083.db2.gz UZCOPNJQYCRZBU-GXFFZTMASA-N -1 3 397.317 2.437 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000826171867 608364262 /nfs/dbraw/zinc/36/42/62/608364262.db2.gz BJAGJPFBOQBFQI-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000826171867 608364264 /nfs/dbraw/zinc/36/42/64/608364264.db2.gz BJAGJPFBOQBFQI-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM Cc1nccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826330775 608383197 /nfs/dbraw/zinc/38/31/97/608383197.db2.gz HXXCGSWDMFSIDA-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM Cc1nccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826330775 608383199 /nfs/dbraw/zinc/38/31/99/608383199.db2.gz HXXCGSWDMFSIDA-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826199351 608419210 /nfs/dbraw/zinc/41/92/10/608419210.db2.gz WTXIZYBWBMNKBN-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826199351 608419211 /nfs/dbraw/zinc/41/92/11/608419211.db2.gz WTXIZYBWBMNKBN-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826418678 608572608 /nfs/dbraw/zinc/57/26/08/608572608.db2.gz QYRLXFARSGNQCQ-UHFFFAOYSA-N -1 3 395.379 2.066 20 5 GEBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826418678 608572610 /nfs/dbraw/zinc/57/26/10/608572610.db2.gz QYRLXFARSGNQCQ-UHFFFAOYSA-N -1 3 395.379 2.066 20 5 GEBDHM CCc1nn(C)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1[N+](=O)[O-] ZINC000825759302 608795907 /nfs/dbraw/zinc/79/59/07/608795907.db2.gz CFDYWSFXKGAOJY-UHFFFAOYSA-N -1 3 380.412 2.365 20 5 GEBDHM CCc1nn(C)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000825759302 608795911 /nfs/dbraw/zinc/79/59/11/608795911.db2.gz CFDYWSFXKGAOJY-UHFFFAOYSA-N -1 3 380.412 2.365 20 5 GEBDHM COCCn1cc2c(n1)[C@@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CCC2 ZINC000826164019 609149849 /nfs/dbraw/zinc/14/98/49/609149849.db2.gz VRAQVKFQUSXLDR-AWEZNQCLSA-N -1 3 384.400 2.107 20 5 GEBDHM COCCn1cc2c(n1)[C@@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CCC2 ZINC000826164019 609149851 /nfs/dbraw/zinc/14/98/51/609149851.db2.gz VRAQVKFQUSXLDR-AWEZNQCLSA-N -1 3 384.400 2.107 20 5 GEBDHM C[C@H](CCNC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824400212 609320661 /nfs/dbraw/zinc/32/06/61/609320661.db2.gz CFBWWFNPPASAOB-SNVBAGLBSA-N -1 3 377.405 2.490 20 5 GEBDHM C[C@H](CCNC(=O)OC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824400212 609320663 /nfs/dbraw/zinc/32/06/63/609320663.db2.gz CFBWWFNPPASAOB-SNVBAGLBSA-N -1 3 377.405 2.490 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826278393 609379438 /nfs/dbraw/zinc/37/94/38/609379438.db2.gz AAMQWSSAGBJENM-UHFFFAOYSA-N -1 3 382.365 2.340 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000826278393 609379440 /nfs/dbraw/zinc/37/94/40/609379440.db2.gz AAMQWSSAGBJENM-UHFFFAOYSA-N -1 3 382.365 2.340 20 5 GEBDHM COc1cc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826180129 609462337 /nfs/dbraw/zinc/46/23/37/609462337.db2.gz SYZOTGLDVZNBMP-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM COc1cc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826180129 609462339 /nfs/dbraw/zinc/46/23/39/609462339.db2.gz SYZOTGLDVZNBMP-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM COc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000826177375 609467064 /nfs/dbraw/zinc/46/70/64/609467064.db2.gz FTLUZTIBFWBFLE-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826177375 609467065 /nfs/dbraw/zinc/46/70/65/609467065.db2.gz FTLUZTIBFWBFLE-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826396166 609469303 /nfs/dbraw/zinc/46/93/03/609469303.db2.gz KLCHDOFQNNZTEQ-UHFFFAOYSA-N -1 3 391.391 2.287 20 5 GEBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826396166 609469306 /nfs/dbraw/zinc/46/93/06/609469306.db2.gz KLCHDOFQNNZTEQ-UHFFFAOYSA-N -1 3 391.391 2.287 20 5 GEBDHM Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261500 609504858 /nfs/dbraw/zinc/50/48/58/609504858.db2.gz IBXLXZOIZIFWQV-UHFFFAOYSA-N -1 3 391.347 2.488 20 5 GEBDHM Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261500 609504859 /nfs/dbraw/zinc/50/48/59/609504859.db2.gz IBXLXZOIZIFWQV-UHFFFAOYSA-N -1 3 391.347 2.488 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826499388 609533640 /nfs/dbraw/zinc/53/36/40/609533640.db2.gz HBPCOAKYKGVDOH-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826499388 609533642 /nfs/dbraw/zinc/53/36/42/609533642.db2.gz HBPCOAKYKGVDOH-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM Cc1cc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826271628 609576767 /nfs/dbraw/zinc/57/67/67/609576767.db2.gz ZNQNUXOTOUPSJJ-AWEZNQCLSA-N -1 3 394.395 2.086 20 5 GEBDHM Cc1cc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000826271628 609576768 /nfs/dbraw/zinc/57/67/68/609576768.db2.gz ZNQNUXOTOUPSJJ-AWEZNQCLSA-N -1 3 394.395 2.086 20 5 GEBDHM COc1cc(Cn2ccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826180260 609585232 /nfs/dbraw/zinc/58/52/32/609585232.db2.gz ZOMNAGFETHFQJK-UHFFFAOYSA-N -1 3 380.311 2.277 20 5 GEBDHM COc1cc(Cn2ccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826180260 609585235 /nfs/dbraw/zinc/58/52/35/609585235.db2.gz ZOMNAGFETHFQJK-UHFFFAOYSA-N -1 3 380.311 2.277 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293440 609629886 /nfs/dbraw/zinc/62/98/86/609629886.db2.gz PEWJELDOERVLQB-BZNIZROVSA-N -1 3 383.364 2.421 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293440 609629887 /nfs/dbraw/zinc/62/98/87/609629887.db2.gz PEWJELDOERVLQB-BZNIZROVSA-N -1 3 383.364 2.421 20 5 GEBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000447032790 649995107 /nfs/dbraw/zinc/99/51/07/649995107.db2.gz AVEVFKKQXZBTOY-GFCCVEGCSA-N -1 3 379.232 2.062 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000451774061 650141235 /nfs/dbraw/zinc/14/12/35/650141235.db2.gz DIPQRRREGCJOOO-UHFFFAOYSA-N -1 3 385.471 2.106 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451824491 650145312 /nfs/dbraw/zinc/14/53/12/650145312.db2.gz PBHYXYBZQCPYLW-SECBINFHSA-N -1 3 378.353 2.095 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c(Br)c1 ZINC000451895406 650150845 /nfs/dbraw/zinc/15/08/45/650150845.db2.gz XKVRZQHOHHFZQM-GFCCVEGCSA-N -1 3 391.243 2.205 20 5 GEBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)COC1 ZINC000451950493 650156747 /nfs/dbraw/zinc/15/67/47/650156747.db2.gz HRUQMVWTWVQHNV-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451974929 650159814 /nfs/dbraw/zinc/15/98/14/650159814.db2.gz JTCMTFRJFLGTIJ-QWRGUYRKSA-N -1 3 381.248 2.185 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c(Br)c1 ZINC000452013010 650165929 /nfs/dbraw/zinc/16/59/29/650165929.db2.gz GHAHVXRKOMBJHY-JTQLQIEISA-N -1 3 393.259 2.452 20 5 GEBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1nc2ncc(Br)cn2n1 ZINC000470709513 650516060 /nfs/dbraw/zinc/51/60/60/650516060.db2.gz KCCZLMZDJKPRAS-UHFFFAOYSA-N -1 3 381.121 2.186 20 5 GEBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000482216648 650662451 /nfs/dbraw/zinc/66/24/51/650662451.db2.gz YTHYEPTVSCFOEC-UHFFFAOYSA-N -1 3 394.107 2.424 20 5 GEBDHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065793848 642889069 /nfs/dbraw/zinc/88/90/69/642889069.db2.gz HBNQUXYZVPPWFC-ZETCQYMHSA-N -1 3 376.740 2.494 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)cs1 ZINC000120138685 643594605 /nfs/dbraw/zinc/59/46/05/643594605.db2.gz XPMVCAYLDDKTPI-UHFFFAOYSA-N -1 3 386.802 2.086 20 5 GEBDHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000120747129 643623744 /nfs/dbraw/zinc/62/37/44/643623744.db2.gz TVFMULMLSISIEP-RKDXNWHRSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000120746978 643623818 /nfs/dbraw/zinc/62/38/18/643623818.db2.gz TVFMULMLSISIEP-DTWKUNHWSA-N -1 3 381.248 2.043 20 5 GEBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000123747965 643676952 /nfs/dbraw/zinc/67/69/52/643676952.db2.gz CYSALQVBEJGFSO-SNVBAGLBSA-N -1 3 395.275 2.434 20 5 GEBDHM CN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000127779184 643784606 /nfs/dbraw/zinc/78/46/06/643784606.db2.gz WFMHUUQKNKKKSB-UHFFFAOYSA-N -1 3 389.783 2.411 20 5 GEBDHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000178742873 644437873 /nfs/dbraw/zinc/43/78/73/644437873.db2.gz VWJROMVGRYOHDG-GFCCVEGCSA-N -1 3 381.248 2.043 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c(Br)c1 ZINC000544115753 650934514 /nfs/dbraw/zinc/93/45/14/650934514.db2.gz WYPNSSGZPNWCAL-SECBINFHSA-N -1 3 379.232 2.062 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)c(Cl)c1 ZINC000545183842 650964339 /nfs/dbraw/zinc/96/43/39/650964339.db2.gz CIIRISHNKUIODR-UHFFFAOYSA-N -1 3 386.695 2.129 20 5 GEBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000269484178 646039257 /nfs/dbraw/zinc/03/92/57/646039257.db2.gz MKGLPVUSICVMCJ-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269504725 646042603 /nfs/dbraw/zinc/04/26/03/646042603.db2.gz YGLNGXAXBFZUDD-VIFPVBQESA-N -1 3 378.332 2.177 20 5 GEBDHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269805062 646061517 /nfs/dbraw/zinc/06/15/17/646061517.db2.gz LPTGKRZVSBZUFK-NSHDSACASA-N -1 3 381.248 2.043 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c(Br)c1 ZINC000615187117 651854685 /nfs/dbraw/zinc/85/46/85/651854685.db2.gz BSKHFIKXHWSYKZ-MVWJERBFSA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000741158440 651938019 /nfs/dbraw/zinc/93/80/19/651938019.db2.gz TUHQGHUFMMWAIG-SNVBAGLBSA-N -1 3 378.834 2.316 20 5 GEBDHM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000751223477 652332731 /nfs/dbraw/zinc/33/27/31/652332731.db2.gz XCLKBCFEWPUZBM-CYBMUJFWSA-N -1 3 386.813 2.269 20 5 GEBDHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751402591 652345478 /nfs/dbraw/zinc/34/54/78/652345478.db2.gz FZTMFRYTBDLVDB-KCJUWKMLSA-N -1 3 381.248 2.043 20 5 GEBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751469499 652354417 /nfs/dbraw/zinc/35/44/17/652354417.db2.gz XRHQMMWBLXMHNY-UWVGGRQHSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000756976139 652511056 /nfs/dbraw/zinc/51/10/56/652511056.db2.gz STFWXAWJLLUJCL-SSDOTTSWSA-N -1 3 376.740 2.148 20 5 GEBDHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000584201253 652513012 /nfs/dbraw/zinc/51/30/12/652513012.db2.gz LKXNNMHJPLMPLS-UHFFFAOYSA-N -1 3 385.785 2.162 20 5 GEBDHM C[C@H]1Cc2cc(S(=O)(=O)NN=c3[n-]cccc3[N+](=O)[O-])cc(Cl)c2O1 ZINC000759167984 652565545 /nfs/dbraw/zinc/56/55/45/652565545.db2.gz IEJCUNBRLMUOOI-QMMMGPOBSA-N -1 3 384.801 2.272 20 5 GEBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592083901 652584087 /nfs/dbraw/zinc/58/40/87/652584087.db2.gz SAGRRDXPHJAYMB-NXEZZACHSA-N -1 3 395.275 2.433 20 5 GEBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cc(C(F)(F)F)on1 ZINC000593598565 652627954 /nfs/dbraw/zinc/62/79/54/652627954.db2.gz SYMAGEJBTHINGL-UHFFFAOYSA-N -1 3 380.304 2.210 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000595356998 652714622 /nfs/dbraw/zinc/71/46/22/652714622.db2.gz VZVXSZFZGXZPEK-UHFFFAOYSA-N -1 3 382.360 2.443 20 5 GEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000595366276 652716201 /nfs/dbraw/zinc/71/62/01/652716201.db2.gz HYNWEURYJSZYLH-HNNXBMFYSA-N -1 3 392.861 2.094 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCOCC2CCC2)c1 ZINC000765163060 652827254 /nfs/dbraw/zinc/82/72/54/652827254.db2.gz OZNJSSDRPJRZNP-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000599481411 652875527 /nfs/dbraw/zinc/87/55/27/652875527.db2.gz CTEGNUOEGFROLT-PWSUYJOCSA-N -1 3 380.344 2.459 20 5 GEBDHM CSC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000601357636 653088163 /nfs/dbraw/zinc/08/81/63/653088163.db2.gz VZWVJAWLVHGGOH-UHFFFAOYSA-N -1 3 378.447 2.233 20 5 GEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000769692590 653171447 /nfs/dbraw/zinc/17/14/47/653171447.db2.gz NTAMEVOQCKYEBZ-DTWKUNHWSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000774873359 653264644 /nfs/dbraw/zinc/26/46/44/653264644.db2.gz VKAWBURXFBNPGN-UHFFFAOYSA-N -1 3 399.738 2.172 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000859367886 653451331 /nfs/dbraw/zinc/45/13/31/653451331.db2.gz OELVXXBNJZNWAJ-SKDRFNHKSA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@H]1CCCN1CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000780869017 653634580 /nfs/dbraw/zinc/63/45/80/653634580.db2.gz ZZSYJRXXAHZITQ-JTQLQIEISA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989620 653642042 /nfs/dbraw/zinc/64/20/42/653642042.db2.gz QZDPCJOIJHDAPV-JTQLQIEISA-N -1 3 379.841 2.398 20 5 GEBDHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815009086 653643017 /nfs/dbraw/zinc/64/30/17/653643017.db2.gz ZHEQRHDACCJWMI-JTQLQIEISA-N -1 3 379.841 2.398 20 5 GEBDHM CN(C)[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCSC1 ZINC000815020697 653644340 /nfs/dbraw/zinc/64/43/40/653644340.db2.gz CMHMFTIMBLMROO-ZDUSSCGKSA-N -1 3 397.881 2.103 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000815024106 653645087 /nfs/dbraw/zinc/64/50/87/653645087.db2.gz SCAAJQKCABFUST-RKDXNWHRSA-N -1 3 377.825 2.291 20 5 GEBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000784935062 653701799 /nfs/dbraw/zinc/70/17/99/653701799.db2.gz HCYBMZDEXOYDFY-ZDUSSCGKSA-N -1 3 390.483 2.194 20 5 GEBDHM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841494790 653721371 /nfs/dbraw/zinc/72/13/71/653721371.db2.gz GYUMJGXXSVNTEC-UHFFFAOYSA-N -1 3 384.332 2.234 20 5 GEBDHM COc1c([O-])ccc(CN2CCn3ncc(Br)c3C2)c1[N+](=O)[O-] ZINC000895424735 653833796 /nfs/dbraw/zinc/83/37/96/653833796.db2.gz AORCBFBGEQUCKO-UHFFFAOYSA-N -1 3 383.202 2.284 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@]1(C)C[C@@]1(F)Cl ZINC000845976611 653875829 /nfs/dbraw/zinc/87/58/29/653875829.db2.gz RPZMLMWWIFCAJY-KGLIPLIRSA-N -1 3 394.808 2.364 20 5 GEBDHM C[C@]1(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@]1(F)Cl ZINC000845984678 653876838 /nfs/dbraw/zinc/87/68/38/653876838.db2.gz XWOKEKFWPYPNHV-UONOGXRCSA-N -1 3 394.808 2.349 20 5 GEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795805501 653967529 /nfs/dbraw/zinc/96/75/29/653967529.db2.gz HLAOZKSLPCTMHM-UHFFFAOYSA-N -1 3 376.797 2.261 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CCN(CC3CC3)C2)c1 ZINC000795829942 653969285 /nfs/dbraw/zinc/96/92/85/653969285.db2.gz TZVRLCOCUSNAPY-SNVBAGLBSA-N -1 3 377.825 2.150 20 5 GEBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798225653 654054932 /nfs/dbraw/zinc/05/49/32/654054932.db2.gz FPGAVPAMAOMJHJ-SNVBAGLBSA-N -1 3 379.841 2.398 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000798227572 654055777 /nfs/dbraw/zinc/05/57/77/654055777.db2.gz TWBSNVRMVUXYLI-BDAKNGLRSA-N -1 3 377.825 2.291 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)c(C(F)(F)F)c1 ZINC000831738614 654205363 /nfs/dbraw/zinc/20/53/63/654205363.db2.gz MONSJPICIUARMB-SNVBAGLBSA-N -1 3 376.316 2.233 20 5 GEBDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831940572 654219105 /nfs/dbraw/zinc/21/91/05/654219105.db2.gz YTOQIDLLBLZIMV-VIFPVBQESA-N -1 3 381.248 2.187 20 5 GEBDHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832511123 654270808 /nfs/dbraw/zinc/27/08/08/654270808.db2.gz NHMSCKBLCZEVOL-NSHDSACASA-N -1 3 379.232 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c1 ZINC000832579840 654277639 /nfs/dbraw/zinc/27/76/39/654277639.db2.gz LNKIMWGYDNJTKO-JTQLQIEISA-N -1 3 393.259 2.452 20 5 GEBDHM NC(=O)c1cc([N+](=O)[O-])cnc1Sc1nnc([N-]CC(F)(F)F)s1 ZINC000489172477 531494597 /nfs/dbraw/zinc/49/45/97/531494597.db2.gz BVBNMBWHWRRDIP-UHFFFAOYSA-N -1 3 380.333 2.066 20 5 GEBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000047543768 531716246 /nfs/dbraw/zinc/71/62/46/531716246.db2.gz XJGGEVSRBLYQKU-UHFFFAOYSA-N -1 3 376.818 2.402 20 5 GEBDHM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000055580112 531794269 /nfs/dbraw/zinc/79/42/69/531794269.db2.gz ULHOWWDSXJOAJK-VXGBXAGGSA-N -1 3 391.877 2.026 20 5 GEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162166773 531836692 /nfs/dbraw/zinc/83/66/92/531836692.db2.gz YKXOXRWRDAWMRD-LLVKDONJSA-N -1 3 381.376 2.376 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c1 ZINC000161370189 531831477 /nfs/dbraw/zinc/83/14/77/531831477.db2.gz DMTMHOYHFRWWHY-HOMQSWHASA-N -1 3 393.259 2.187 20 5 GEBDHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121469951 532030170 /nfs/dbraw/zinc/03/01/70/532030170.db2.gz FOJYYYKTDTZCKG-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000121477199 532030334 /nfs/dbraw/zinc/03/03/34/532030334.db2.gz OEQPCZSFDVAYHN-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM C[S@@](=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000175877438 532117810 /nfs/dbraw/zinc/11/78/10/532117810.db2.gz DOUSWXSEPWZVAN-HSZRJFAPSA-N -1 3 388.854 2.464 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([S@@](C)=O)cc2)cc1C ZINC000175876660 532118323 /nfs/dbraw/zinc/11/83/23/532118323.db2.gz VJFQECRGKMZSRZ-XMMPIXPASA-N -1 3 382.463 2.428 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000127417307 532153577 /nfs/dbraw/zinc/15/35/77/532153577.db2.gz SUMJXFBDXBOUFQ-UHFFFAOYSA-N -1 3 389.842 2.018 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000127508698 532155154 /nfs/dbraw/zinc/15/51/54/532155154.db2.gz PTCRXLFHJMSJLM-UHFFFAOYSA-N -1 3 389.842 2.018 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CCOCC1 ZINC000133019489 532224820 /nfs/dbraw/zinc/22/48/20/532224820.db2.gz KESWOOLGEQMFTR-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCCCCO)ccc1Br ZINC000180659012 532277379 /nfs/dbraw/zinc/27/73/79/532277379.db2.gz LIGXRPWQXZZWBH-UHFFFAOYSA-N -1 3 381.248 2.188 20 5 GEBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000182478213 532313668 /nfs/dbraw/zinc/31/36/68/532313668.db2.gz SCSIAXFDLCPHBA-SECBINFHSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CCN(CC(F)(F)F)CC1 ZINC000188326751 532347841 /nfs/dbraw/zinc/34/78/41/532347841.db2.gz MXMOHFKQUQHIQH-UHFFFAOYSA-N -1 3 381.376 2.147 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c1C ZINC000589922731 532365227 /nfs/dbraw/zinc/36/52/27/532365227.db2.gz 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GEBDHM CN(C)S(=O)(=O)C[C@H]([N-]c1c(F)cc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000520442263 532493357 /nfs/dbraw/zinc/49/33/57/532493357.db2.gz UWEKWTWFXJWMLM-VIFPVBQESA-N -1 3 377.291 2.107 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1csc(C)n1 ZINC000469363287 532502243 /nfs/dbraw/zinc/50/22/43/532502243.db2.gz LWFITGTWMRCQAZ-QMMMGPOBSA-N -1 3 385.423 2.186 20 5 GEBDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000296055252 532498384 /nfs/dbraw/zinc/49/83/84/532498384.db2.gz CKNPHUPPCBYTJO-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@]1(C)CC1(F)F ZINC000594856880 532535258 /nfs/dbraw/zinc/53/52/58/532535258.db2.gz KEIRUWPCMGZYTH-CYBMUJFWSA-N -1 3 378.353 2.095 20 5 GEBDHM COC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000594789032 532528728 /nfs/dbraw/zinc/52/87/28/532528728.db2.gz JIFFVMUOPXWAIZ-UHFFFAOYSA-N -1 3 393.259 2.451 20 5 GEBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CO1 ZINC000594793296 532530372 /nfs/dbraw/zinc/53/03/72/532530372.db2.gz CDQZAKSENVQIJL-QMMMGPOBSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccnc2N2CCCC2)cc1[N+](=O)[O-] ZINC000594802746 532531184 /nfs/dbraw/zinc/53/11/84/532531184.db2.gz AUCRAFQRFGZYLB-UHFFFAOYSA-N -1 3 382.467 2.438 20 5 GEBDHM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432337330 532534892 /nfs/dbraw/zinc/53/48/92/532534892.db2.gz BAUSFPADUFRDOG-GFCCVEGCSA-N -1 3 391.877 2.027 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nccn1C ZINC000595382936 532562126 /nfs/dbraw/zinc/56/21/26/532562126.db2.gz LPJVPGGXLSFSFC-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM O=c1[n-]ccc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)c1[N+](=O)[O-] ZINC000596062395 532585086 /nfs/dbraw/zinc/58/50/86/532585086.db2.gz QMYDAUSZVCTRSS-UHFFFAOYSA-N -1 3 382.423 2.026 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000472333989 532572480 /nfs/dbraw/zinc/57/24/80/532572480.db2.gz GOIQERVBJBVTCT-UHFFFAOYSA-N -1 3 387.801 2.009 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CNCCC1(F)F ZINC000567862133 532667509 /nfs/dbraw/zinc/66/75/09/532667509.db2.gz NTZPSVQRLPBOQR-SECBINFHSA-N -1 3 390.195 2.177 20 5 GEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000599372135 532659396 /nfs/dbraw/zinc/65/93/96/532659396.db2.gz IJUYKLSGGHNMRM-LBPRGKRZSA-N -1 3 378.332 2.014 20 5 GEBDHM COc1ccc([C@H](CN(C)C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000569511805 532696708 /nfs/dbraw/zinc/69/67/08/532696708.db2.gz LFKIFWOGSBFISI-ZDUSSCGKSA-N -1 3 385.467 2.246 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000535900836 532688278 /nfs/dbraw/zinc/68/82/78/532688278.db2.gz ORSDYBPPPFZJDC-ZDUSSCGKSA-N -1 3 384.841 2.378 20 5 GEBDHM Cc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000440585301 532718034 /nfs/dbraw/zinc/71/80/34/532718034.db2.gz RJZLUBXJOYGARO-UHFFFAOYSA-N -1 3 384.439 2.065 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000266151971 532705598 /nfs/dbraw/zinc/70/55/98/532705598.db2.gz FVWUDXNMQPAKHC-BDAKNGLRSA-N -1 3 379.232 2.061 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000614535625 532740850 /nfs/dbraw/zinc/74/08/50/532740850.db2.gz AXAAAAQOLYACTQ-UHFFFAOYSA-N -1 3 375.403 2.028 20 5 GEBDHM O=[N+]([O-])c1cccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509410556 532768645 /nfs/dbraw/zinc/76/86/45/532768645.db2.gz MYQXFTQTRARKLH-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CO[C@H]2CCOC2)c1 ZINC000272494775 532816167 /nfs/dbraw/zinc/81/61/67/532816167.db2.gz QJXOZCFDUZRFMC-MNOVXSKESA-N -1 3 378.834 2.029 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)c(Br)c1 ZINC000330482607 532819410 /nfs/dbraw/zinc/81/94/10/532819410.db2.gz UDPQUPZVIRNCII-SKDRFNHKSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000330637090 532823554 /nfs/dbraw/zinc/82/35/54/532823554.db2.gz NXYPXINQVIPTFA-UWVGGRQHSA-N -1 3 393.259 2.451 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000273490876 532824794 /nfs/dbraw/zinc/82/47/94/532824794.db2.gz HCZSBWQAKBGVNS-ZYHUDNBSSA-N -1 3 388.467 2.334 20 5 GEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000274798970 532856490 /nfs/dbraw/zinc/85/64/90/532856490.db2.gz PYJXCPMVGVPJQE-IAQYHMDHSA-N -1 3 390.458 2.375 20 5 GEBDHM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000332508845 532856838 /nfs/dbraw/zinc/85/68/38/532856838.db2.gz YQGINNUMCUDYJB-DZGCQCFKSA-N -1 3 392.861 2.093 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(c3nc[nH]n3)CCC2)c(Cl)cc1Cl ZINC000289686906 532863546 /nfs/dbraw/zinc/86/35/46/532863546.db2.gz CUOCHAKRNFFPOG-UHFFFAOYSA-N -1 3 392.224 2.377 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(c3nnc[nH]3)CCC2)c(Cl)cc1Cl ZINC000289686906 532863550 /nfs/dbraw/zinc/86/35/50/532863550.db2.gz CUOCHAKRNFFPOG-UHFFFAOYSA-N -1 3 392.224 2.377 20 5 GEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000416408198 532876502 /nfs/dbraw/zinc/87/65/02/532876502.db2.gz OOSBHBWKQZCIAH-ONGXEEELSA-N -1 3 381.376 2.375 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000737523831 598828235 /nfs/dbraw/zinc/82/82/35/598828235.db2.gz JQWROQZLJFLMFH-UHFFFAOYSA-N -1 3 390.363 2.225 20 5 GEBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000737523831 598828237 /nfs/dbraw/zinc/82/82/37/598828237.db2.gz JQWROQZLJFLMFH-UHFFFAOYSA-N -1 3 390.363 2.225 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000737362003 598839011 /nfs/dbraw/zinc/83/90/11/598839011.db2.gz LFYLVQUPGXGTSX-UHFFFAOYSA-N -1 3 381.396 2.315 20 5 GEBDHM Cc1ccc(NCCCNC(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000737362003 598839012 /nfs/dbraw/zinc/83/90/12/598839012.db2.gz LFYLVQUPGXGTSX-UHFFFAOYSA-N -1 3 381.396 2.315 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000738360647 598872980 /nfs/dbraw/zinc/87/29/80/598872980.db2.gz RRKFDRNYTXBLIN-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000738360647 598872983 /nfs/dbraw/zinc/87/29/83/598872983.db2.gz RRKFDRNYTXBLIN-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM COc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737072913 598887066 /nfs/dbraw/zinc/88/70/66/598887066.db2.gz XAXWVRMUROTSSW-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM COc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737072913 598887068 /nfs/dbraw/zinc/88/70/68/598887068.db2.gz XAXWVRMUROTSSW-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737297944 598953748 /nfs/dbraw/zinc/95/37/48/598953748.db2.gz GSQARGAZFIDVCX-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000737297944 598953749 /nfs/dbraw/zinc/95/37/49/598953749.db2.gz GSQARGAZFIDVCX-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cccc(F)c3F)CC2)c(-c2nnn[n-]2)c1 ZINC000738370086 599059529 /nfs/dbraw/zinc/05/95/29/599059529.db2.gz NGXGPLDKLCIBLU-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3cccc(F)c3F)CC2)c(-c2nn[n-]n2)c1 ZINC000738370086 599059531 /nfs/dbraw/zinc/05/95/31/599059531.db2.gz NGXGPLDKLCIBLU-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=c1[nH]cnc2cc(NCc3cc(-c4nnn[n-]4)ccc3F)c([N+](=O)[O-])cc12 ZINC000823658052 599071369 /nfs/dbraw/zinc/07/13/69/599071369.db2.gz ZFILLBQGPKKHBE-UHFFFAOYSA-N -1 3 382.315 2.175 20 5 GEBDHM O=c1[nH]cnc2cc(NCc3cc(-c4nn[n-]n4)ccc3F)c([N+](=O)[O-])cc12 ZINC000823658052 599071371 /nfs/dbraw/zinc/07/13/71/599071371.db2.gz ZFILLBQGPKKHBE-UHFFFAOYSA-N -1 3 382.315 2.175 20 5 GEBDHM CCO[C@@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000821347270 599071983 /nfs/dbraw/zinc/07/19/83/599071983.db2.gz VHQHXLVPUZMWJV-VIFPVBQESA-N -1 3 390.429 2.360 20 5 GEBDHM CCO[C@@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000821347270 599071986 /nfs/dbraw/zinc/07/19/86/599071986.db2.gz VHQHXLVPUZMWJV-VIFPVBQESA-N -1 3 390.429 2.360 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823239215 599185234 /nfs/dbraw/zinc/18/52/34/599185234.db2.gz YCOXZCUJWYCPMR-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823239215 599185235 /nfs/dbraw/zinc/18/52/35/599185235.db2.gz YCOXZCUJWYCPMR-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737968111 599190383 /nfs/dbraw/zinc/19/03/83/599190383.db2.gz FKFGWBUVLOHDCR-UHFFFAOYSA-N -1 3 390.363 2.142 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1ccccc1-c1nnn[n-]1 ZINC000738383540 599221899 /nfs/dbraw/zinc/22/18/99/599221899.db2.gz VOWAXBKZDIHTOH-UHFFFAOYSA-N -1 3 382.336 2.152 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1ccccc1-c1nn[n-]n1 ZINC000738383540 599221901 /nfs/dbraw/zinc/22/19/01/599221901.db2.gz VOWAXBKZDIHTOH-UHFFFAOYSA-N -1 3 382.336 2.152 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000821699479 607262994 /nfs/dbraw/zinc/26/29/94/607262994.db2.gz RHVVDIAVSOEOEB-UHFFFAOYSA-N -1 3 377.263 2.281 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000821699479 607262995 /nfs/dbraw/zinc/26/29/95/607262995.db2.gz RHVVDIAVSOEOEB-UHFFFAOYSA-N -1 3 377.263 2.281 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821845197 607292147 /nfs/dbraw/zinc/29/21/47/607292147.db2.gz CNVJNPYYWSBLTH-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821845197 607292148 /nfs/dbraw/zinc/29/21/48/607292148.db2.gz CNVJNPYYWSBLTH-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000822212715 607327968 /nfs/dbraw/zinc/32/79/68/607327968.db2.gz DUMWXAKROVUJJA-UHFFFAOYSA-N -1 3 392.372 2.332 20 5 GEBDHM CC(=O)c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000735495583 598245569 /nfs/dbraw/zinc/24/55/69/598245569.db2.gz KZZHVBVDTUGSQL-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM CC(=O)c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000735495583 598245571 /nfs/dbraw/zinc/24/55/71/598245571.db2.gz KZZHVBVDTUGSQL-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736749175 598282093 /nfs/dbraw/zinc/28/20/93/598282093.db2.gz NHXPDNDPKZAYGZ-UHFFFAOYSA-N -1 3 387.287 2.099 20 5 GEBDHM CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736749175 598282095 /nfs/dbraw/zinc/28/20/95/598282095.db2.gz NHXPDNDPKZAYGZ-UHFFFAOYSA-N -1 3 387.287 2.099 20 5 GEBDHM COc1cc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737043512 598289670 /nfs/dbraw/zinc/28/96/70/598289670.db2.gz XNELDUCKHBDHRV-UHFFFAOYSA-N -1 3 394.347 2.393 20 5 GEBDHM COc1cc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000737043512 598289672 /nfs/dbraw/zinc/28/96/72/598289672.db2.gz XNELDUCKHBDHRV-UHFFFAOYSA-N -1 3 394.347 2.393 20 5 GEBDHM Cc1sc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(-c2nnn[n-]2)c1C ZINC000737559910 598326306 /nfs/dbraw/zinc/32/63/06/598326306.db2.gz DDDTYRLAQBXXHI-UHFFFAOYSA-N -1 3 376.402 2.024 20 5 GEBDHM Cc1sc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(-c2nn[n-]n2)c1C ZINC000737559910 598326308 /nfs/dbraw/zinc/32/63/08/598326308.db2.gz DDDTYRLAQBXXHI-UHFFFAOYSA-N -1 3 376.402 2.024 20 5 GEBDHM COc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737084949 598394084 /nfs/dbraw/zinc/39/40/84/598394084.db2.gz WYLKOQSEDMPEDC-JYRVWZFOSA-N -1 3 392.331 2.128 20 5 GEBDHM COc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737084949 598394086 /nfs/dbraw/zinc/39/40/86/598394086.db2.gz WYLKOQSEDMPEDC-JYRVWZFOSA-N -1 3 392.331 2.128 20 5 GEBDHM C[C@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736199009 598502084 /nfs/dbraw/zinc/50/20/84/598502084.db2.gz LWGYJYJKNNHTPG-GFCCVEGCSA-N -1 3 396.411 2.307 20 5 GEBDHM C[C@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736199009 598502085 /nfs/dbraw/zinc/50/20/85/598502085.db2.gz LWGYJYJKNNHTPG-GFCCVEGCSA-N -1 3 396.411 2.307 20 5 GEBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826416115 607360075 /nfs/dbraw/zinc/36/00/75/607360075.db2.gz IQKFKECXTGTGLA-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826416115 607360077 /nfs/dbraw/zinc/36/00/77/607360077.db2.gz IQKFKECXTGTGLA-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738183616 598576777 /nfs/dbraw/zinc/57/67/77/598576777.db2.gz KQZSIMYLKILOMI-INIZCTEOSA-N -1 3 379.380 2.382 20 5 GEBDHM CCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825631530 607361615 /nfs/dbraw/zinc/36/16/15/607361615.db2.gz CRPYIJCSMPTVKB-UHFFFAOYSA-N -1 3 397.347 2.213 20 5 GEBDHM CCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825631530 607361617 /nfs/dbraw/zinc/36/16/17/607361617.db2.gz CRPYIJCSMPTVKB-UHFFFAOYSA-N -1 3 397.347 2.213 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000738166045 598586965 /nfs/dbraw/zinc/58/69/65/598586965.db2.gz QJRDKGOUYOZQJK-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000738166045 598586967 /nfs/dbraw/zinc/58/69/67/598586967.db2.gz QJRDKGOUYOZQJK-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc2c(c1)CC(=O)N2C ZINC000736137553 598612280 /nfs/dbraw/zinc/61/22/80/598612280.db2.gz KRPMZEXJHMTVAI-SNVBAGLBSA-N -1 3 379.380 2.467 20 5 GEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2C ZINC000736137553 598612281 /nfs/dbraw/zinc/61/22/81/598612281.db2.gz KRPMZEXJHMTVAI-SNVBAGLBSA-N -1 3 379.380 2.467 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cn1 ZINC000738371705 598639780 /nfs/dbraw/zinc/63/97/80/598639780.db2.gz WYLUEADEEOBOTA-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cn1 ZINC000738371705 598639782 /nfs/dbraw/zinc/63/97/82/598639782.db2.gz WYLUEADEEOBOTA-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=C(c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738287492 598747636 /nfs/dbraw/zinc/74/76/36/598747636.db2.gz WZGBOBSJYSIXQK-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736841621 599350673 /nfs/dbraw/zinc/35/06/73/599350673.db2.gz GFMYFFLEBYAEOR-INIZCTEOSA-N -1 3 379.380 2.017 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736841621 599350676 /nfs/dbraw/zinc/35/06/76/599350676.db2.gz GFMYFFLEBYAEOR-INIZCTEOSA-N -1 3 379.380 2.017 20 5 GEBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000737777320 599400826 /nfs/dbraw/zinc/40/08/26/599400826.db2.gz WEKZCNYHSPOVGB-UHFFFAOYSA-N -1 3 378.805 2.030 20 5 GEBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000737777320 599400828 /nfs/dbraw/zinc/40/08/28/599400828.db2.gz WEKZCNYHSPOVGB-UHFFFAOYSA-N -1 3 378.805 2.030 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000821845613 599513761 /nfs/dbraw/zinc/51/37/61/599513761.db2.gz INSCQNATWBBUGV-UHFFFAOYSA-N -1 3 381.396 2.110 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000821845613 599513763 /nfs/dbraw/zinc/51/37/63/599513763.db2.gz INSCQNATWBBUGV-UHFFFAOYSA-N -1 3 381.396 2.110 20 5 GEBDHM CC(C)(C)[S@@](=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819951872 599561732 /nfs/dbraw/zinc/56/17/32/599561732.db2.gz YWSGGMVRCQNXBI-MHZLTWQESA-N -1 3 389.441 2.282 20 5 GEBDHM CC(C)(C)[S@@](=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819951872 599561733 /nfs/dbraw/zinc/56/17/33/599561733.db2.gz YWSGGMVRCQNXBI-MHZLTWQESA-N -1 3 389.441 2.282 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826498870 607451323 /nfs/dbraw/zinc/45/13/23/607451323.db2.gz MRCWKZWDFHEAKV-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826498870 607451325 /nfs/dbraw/zinc/45/13/25/607451325.db2.gz MRCWKZWDFHEAKV-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM Cc1cc(NC[C@H](O)CN2CCc3ccccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968873 601545059 /nfs/dbraw/zinc/54/50/59/601545059.db2.gz ZCVSVECYTQSFSE-KRWDZBQOSA-N -1 3 385.420 2.433 20 5 GEBDHM COc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000826200434 607615745 /nfs/dbraw/zinc/61/57/45/607615745.db2.gz PLGZTCADZXGICD-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM COc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1-c1nn[n-]n1 ZINC000826200434 607615746 /nfs/dbraw/zinc/61/57/46/607615746.db2.gz PLGZTCADZXGICD-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000833686399 605021272 /nfs/dbraw/zinc/02/12/72/605021272.db2.gz UMKFBBPTCPCRGD-AWEZNQCLSA-N -1 3 393.465 2.470 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826497383 607734275 /nfs/dbraw/zinc/73/42/75/607734275.db2.gz FRHSJMAYYIABRU-XHDPSFHLSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826497383 607734276 /nfs/dbraw/zinc/73/42/76/607734276.db2.gz FRHSJMAYYIABRU-XHDPSFHLSA-N -1 3 388.334 2.365 20 5 GEBDHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000834183648 605439834 /nfs/dbraw/zinc/43/98/34/605439834.db2.gz PRAVVBLVSWFSGZ-IUIKQTSFSA-N -1 3 377.397 2.329 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820270181 606038585 /nfs/dbraw/zinc/03/85/85/606038585.db2.gz XCRSIVWCFXKYKK-SNVBAGLBSA-N -1 3 377.405 2.124 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820270181 606038590 /nfs/dbraw/zinc/03/85/90/606038590.db2.gz XCRSIVWCFXKYKK-SNVBAGLBSA-N -1 3 377.405 2.124 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476258 606130921 /nfs/dbraw/zinc/13/09/21/606130921.db2.gz KGKYZPIMZCOEPX-UHFFFAOYSA-N -1 3 396.363 2.133 20 5 GEBDHM CCc1ccc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476258 606130922 /nfs/dbraw/zinc/13/09/22/606130922.db2.gz KGKYZPIMZCOEPX-UHFFFAOYSA-N -1 3 396.363 2.133 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823640054 606145796 /nfs/dbraw/zinc/14/57/96/606145796.db2.gz QMRRSVIINOIDKB-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823640054 606145797 /nfs/dbraw/zinc/14/57/97/606145797.db2.gz QMRRSVIINOIDKB-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640261 606301128 /nfs/dbraw/zinc/30/11/28/606301128.db2.gz DWCAGIWHOOVRSI-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640261 606301130 /nfs/dbraw/zinc/30/11/30/606301130.db2.gz DWCAGIWHOOVRSI-BZNIZROVSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)c1C ZINC000822213110 606336096 /nfs/dbraw/zinc/33/60/96/606336096.db2.gz VFKBYVTTXUQGHY-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)c1C ZINC000822213110 606336097 /nfs/dbraw/zinc/33/60/97/606336097.db2.gz VFKBYVTTXUQGHY-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000823629913 606423691 /nfs/dbraw/zinc/42/36/91/606423691.db2.gz LPVJZOJTGXDIKD-LBPRGKRZSA-N -1 3 382.384 2.419 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000823629913 606423692 /nfs/dbraw/zinc/42/36/92/606423692.db2.gz LPVJZOJTGXDIKD-LBPRGKRZSA-N -1 3 382.384 2.419 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nnn[n-]2)cc1OC(F)F ZINC000823639723 606461591 /nfs/dbraw/zinc/46/15/91/606461591.db2.gz GFCYIWPIXYIBQH-UHFFFAOYSA-N -1 3 392.326 2.295 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nn[n-]n2)cc1OC(F)F ZINC000823639723 606461593 /nfs/dbraw/zinc/46/15/93/606461593.db2.gz GFCYIWPIXYIBQH-UHFFFAOYSA-N -1 3 392.326 2.295 20 5 GEBDHM CC[C@H](N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920355 606621668 /nfs/dbraw/zinc/62/16/68/606621668.db2.gz PGNRKWWSENEIRI-HOTGVXAUSA-N -1 3 381.396 2.042 20 5 GEBDHM CC[C@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920355 606621669 /nfs/dbraw/zinc/62/16/69/606621669.db2.gz PGNRKWWSENEIRI-HOTGVXAUSA-N -1 3 381.396 2.042 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3c(F)cccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000823651494 606728925 /nfs/dbraw/zinc/72/89/25/606728925.db2.gz MGEPUGGESAVBLZ-VIFPVBQESA-N -1 3 388.338 2.139 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3c(F)cccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000823651494 606728926 /nfs/dbraw/zinc/72/89/26/606728926.db2.gz MGEPUGGESAVBLZ-VIFPVBQESA-N -1 3 388.338 2.139 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821845173 606757456 /nfs/dbraw/zinc/75/74/56/606757456.db2.gz CBGQDASQYICYDH-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821845173 606757457 /nfs/dbraw/zinc/75/74/57/606757457.db2.gz CBGQDASQYICYDH-UHFFFAOYSA-N -1 3 391.290 2.419 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821897881 606809203 /nfs/dbraw/zinc/80/92/03/606809203.db2.gz LEVKIASUXGYQDN-AWEZNQCLSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000821897881 606809204 /nfs/dbraw/zinc/80/92/04/606809204.db2.gz LEVKIASUXGYQDN-AWEZNQCLSA-N -1 3 395.379 2.001 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640033 606876691 /nfs/dbraw/zinc/87/66/91/606876691.db2.gz QANPBADOENYMEZ-CRAIPNDOSA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640033 606876693 /nfs/dbraw/zinc/87/66/93/606876693.db2.gz QANPBADOENYMEZ-CRAIPNDOSA-N -1 3 396.407 2.104 20 5 GEBDHM CCOC(=O)C(C)(C)n1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000821315451 607032230 /nfs/dbraw/zinc/03/22/30/607032230.db2.gz UKJFAOONNJRIRS-UHFFFAOYSA-N -1 3 386.372 2.013 20 5 GEBDHM CCOC(=O)C(C)(C)n1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000821315451 607032231 /nfs/dbraw/zinc/03/22/31/607032231.db2.gz UKJFAOONNJRIRS-UHFFFAOYSA-N -1 3 386.372 2.013 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC3(CC2)OCc2ccccc23)c(-c2nnn[n-]2)c1 ZINC000823647169 607119921 /nfs/dbraw/zinc/11/99/21/607119921.db2.gz HLHAGBYBRWNKOU-UHFFFAOYSA-N -1 3 379.380 2.196 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC3(CC2)OCc2ccccc23)c(-c2nn[n-]n2)c1 ZINC000823647169 607119923 /nfs/dbraw/zinc/11/99/23/607119923.db2.gz HLHAGBYBRWNKOU-UHFFFAOYSA-N -1 3 379.380 2.196 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823391639 607133507 /nfs/dbraw/zinc/13/35/07/607133507.db2.gz AQDMKVPSVPITKS-GHMZBOCLSA-N -1 3 389.397 2.374 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823391639 607133509 /nfs/dbraw/zinc/13/35/09/607133509.db2.gz AQDMKVPSVPITKS-GHMZBOCLSA-N -1 3 389.397 2.374 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823391642 607133721 /nfs/dbraw/zinc/13/37/21/607133721.db2.gz AQDMKVPSVPITKS-WDEREUQCSA-N -1 3 389.397 2.374 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823391642 607133722 /nfs/dbraw/zinc/13/37/22/607133722.db2.gz AQDMKVPSVPITKS-WDEREUQCSA-N -1 3 389.397 2.374 20 5 GEBDHM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823392757 607134459 /nfs/dbraw/zinc/13/44/59/607134459.db2.gz TXQZFAXKZUMNKE-KBPBESRZSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823392757 607134461 /nfs/dbraw/zinc/13/44/61/607134461.db2.gz TXQZFAXKZUMNKE-KBPBESRZSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823392759 607134471 /nfs/dbraw/zinc/13/44/71/607134471.db2.gz TXQZFAXKZUMNKE-UONOGXRCSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823392759 607134473 /nfs/dbraw/zinc/13/44/73/607134473.db2.gz TXQZFAXKZUMNKE-UONOGXRCSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823050072 607193511 /nfs/dbraw/zinc/19/35/11/607193511.db2.gz PIWFHBHGTQYSBW-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823050072 607193512 /nfs/dbraw/zinc/19/35/12/607193512.db2.gz PIWFHBHGTQYSBW-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1csc([N+](=O)[O-])c1 ZINC000823265965 607230895 /nfs/dbraw/zinc/23/08/95/607230895.db2.gz JOVGDFJEMMSDPI-UHFFFAOYSA-N -1 3 396.392 2.157 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1csc([N+](=O)[O-])c1 ZINC000823265965 607230896 /nfs/dbraw/zinc/23/08/96/607230896.db2.gz JOVGDFJEMMSDPI-UHFFFAOYSA-N -1 3 396.392 2.157 20 5 GEBDHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826419094 607833298 /nfs/dbraw/zinc/83/32/98/607833298.db2.gz IYHULKOYVUFXFQ-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826419094 607833299 /nfs/dbraw/zinc/83/32/99/607833299.db2.gz IYHULKOYVUFXFQ-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM Cc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1[N+](=O)[O-] ZINC000826256404 607866751 /nfs/dbraw/zinc/86/67/51/607866751.db2.gz IATZCWQRQFTCBN-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1[N+](=O)[O-] ZINC000826256404 607866752 /nfs/dbraw/zinc/86/67/52/607866752.db2.gz IATZCWQRQFTCBN-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826498340 607872284 /nfs/dbraw/zinc/87/22/84/607872284.db2.gz QJMJTWGWEGOHRO-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)COc1ccc(Cl)cc1 ZINC000826499230 607876658 /nfs/dbraw/zinc/87/66/58/607876658.db2.gz AFFQZTCKTGDHSW-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)COc1ccc(Cl)cc1 ZINC000826499230 607876659 /nfs/dbraw/zinc/87/66/59/607876659.db2.gz AFFQZTCKTGDHSW-LLVKDONJSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826499733 607878462 /nfs/dbraw/zinc/87/84/62/607878462.db2.gz VAFZNUJBQWAHEK-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(OC[C@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826499733 607878463 /nfs/dbraw/zinc/87/84/63/607878463.db2.gz VAFZNUJBQWAHEK-LBPRGKRZSA-N -1 3 391.771 2.247 20 5 GEBDHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826475957 607958299 /nfs/dbraw/zinc/95/82/99/607958299.db2.gz XJJCJDZLYCLNCM-UHFFFAOYSA-N -1 3 385.771 2.022 20 5 GEBDHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826475957 607958300 /nfs/dbraw/zinc/95/83/00/607958300.db2.gz XJJCJDZLYCLNCM-UHFFFAOYSA-N -1 3 385.771 2.022 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826293682 607959655 /nfs/dbraw/zinc/95/96/55/607959655.db2.gz YFGQHMQUHIIJBJ-UHFFFAOYSA-N -1 3 394.391 2.442 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826293682 607959656 /nfs/dbraw/zinc/95/96/56/607959656.db2.gz YFGQHMQUHIIJBJ-UHFFFAOYSA-N -1 3 394.391 2.442 20 5 GEBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1-c1nnn[n-]1 ZINC000825820443 608006271 /nfs/dbraw/zinc/00/62/71/608006271.db2.gz FPTRGIAAMSHVKP-UHFFFAOYSA-N -1 3 377.364 2.462 20 5 GEBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1-c1nn[n-]n1 ZINC000825820443 608006272 /nfs/dbraw/zinc/00/62/72/608006272.db2.gz FPTRGIAAMSHVKP-UHFFFAOYSA-N -1 3 377.364 2.462 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826186394 608007422 /nfs/dbraw/zinc/00/74/22/608007422.db2.gz QTOBXBMUHJHRBD-UHFFFAOYSA-N -1 3 383.368 2.148 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000826186394 608007423 /nfs/dbraw/zinc/00/74/23/608007423.db2.gz QTOBXBMUHJHRBD-UHFFFAOYSA-N -1 3 383.368 2.148 20 5 GEBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736291234 608051750 /nfs/dbraw/zinc/05/17/50/608051750.db2.gz LATUSZMWAYOCHN-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736291234 608051751 /nfs/dbraw/zinc/05/17/51/608051751.db2.gz LATUSZMWAYOCHN-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826212232 608067481 /nfs/dbraw/zinc/06/74/81/608067481.db2.gz KNRAZRPMIMGTAP-GOSISDBHSA-N -1 3 396.407 2.357 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826212232 608067482 /nfs/dbraw/zinc/06/74/82/608067482.db2.gz KNRAZRPMIMGTAP-GOSISDBHSA-N -1 3 396.407 2.357 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473688 608085124 /nfs/dbraw/zinc/08/51/24/608085124.db2.gz JFJDRHWGFWHOLE-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473688 608085125 /nfs/dbraw/zinc/08/51/25/608085125.db2.gz JFJDRHWGFWHOLE-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826454036 608115314 /nfs/dbraw/zinc/11/53/14/608115314.db2.gz HYJMPONAARXBPF-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826454036 608115315 /nfs/dbraw/zinc/11/53/15/608115315.db2.gz HYJMPONAARXBPF-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000826161472 608138281 /nfs/dbraw/zinc/13/82/81/608138281.db2.gz KAFGBSXQRGDAJD-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000826161472 608138282 /nfs/dbraw/zinc/13/82/82/608138282.db2.gz KAFGBSXQRGDAJD-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000824109855 608152607 /nfs/dbraw/zinc/15/26/07/608152607.db2.gz XDNXVTLOYFYGOK-AWEZNQCLSA-N -1 3 389.416 2.490 20 5 GEBDHM CC(C)(C)OC(=O)N[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000824109855 608152608 /nfs/dbraw/zinc/15/26/08/608152608.db2.gz XDNXVTLOYFYGOK-AWEZNQCLSA-N -1 3 389.416 2.490 20 5 GEBDHM Cn1ncc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1C1CC1 ZINC000826366046 608161887 /nfs/dbraw/zinc/16/18/87/608161887.db2.gz QCYPTWXZWKPPOO-UHFFFAOYSA-N -1 3 388.775 2.292 20 5 GEBDHM Cn1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1C1CC1 ZINC000826366046 608161890 /nfs/dbraw/zinc/16/18/90/608161890.db2.gz QCYPTWXZWKPPOO-UHFFFAOYSA-N -1 3 388.775 2.292 20 5 GEBDHM CCN(CC)C(=O)CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825399292 608162857 /nfs/dbraw/zinc/16/28/57/608162857.db2.gz OROXWLNYGGLAJQ-UHFFFAOYSA-N -1 3 395.807 2.015 20 5 GEBDHM CCN(CC)C(=O)CCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825399292 608162859 /nfs/dbraw/zinc/16/28/59/608162859.db2.gz OROXWLNYGGLAJQ-UHFFFAOYSA-N -1 3 395.807 2.015 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000826174342 608265055 /nfs/dbraw/zinc/26/50/55/608265055.db2.gz SIAOZPMNWHXFOD-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000826174342 608265056 /nfs/dbraw/zinc/26/50/56/608265056.db2.gz SIAOZPMNWHXFOD-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826273270 608336894 /nfs/dbraw/zinc/33/68/94/608336894.db2.gz WPGHDBFUTCAZNB-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385835 608342681 /nfs/dbraw/zinc/34/26/81/608342681.db2.gz TURUQCLVGQJWKJ-UHFFFAOYSA-N -1 3 375.776 2.434 20 5 GEBDHM CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385835 608342683 /nfs/dbraw/zinc/34/26/83/608342683.db2.gz TURUQCLVGQJWKJ-UHFFFAOYSA-N -1 3 375.776 2.434 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826171944 608366201 /nfs/dbraw/zinc/36/62/01/608366201.db2.gz GGLBWQXTSZDSOO-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826171944 608366203 /nfs/dbraw/zinc/36/62/03/608366203.db2.gz GGLBWQXTSZDSOO-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826112065 608392381 /nfs/dbraw/zinc/39/23/81/608392381.db2.gz RLYHAFRAQNLCOR-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826112065 608392383 /nfs/dbraw/zinc/39/23/83/608392383.db2.gz RLYHAFRAQNLCOR-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826327522 608397526 /nfs/dbraw/zinc/39/75/26/608397526.db2.gz KWHAGIAOSVTOPL-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826327522 608397528 /nfs/dbraw/zinc/39/75/28/608397528.db2.gz KWHAGIAOSVTOPL-UHFFFAOYSA-N -1 3 382.153 2.230 20 5 GEBDHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824497976 608424552 /nfs/dbraw/zinc/42/45/52/608424552.db2.gz BCGYUURORKIFCN-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824497976 608424553 /nfs/dbraw/zinc/42/45/53/608424553.db2.gz BCGYUURORKIFCN-JTQLQIEISA-N -1 3 385.359 2.474 20 5 GEBDHM O=[N+]([O-])c1cnc2ccc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)nn21 ZINC000826500739 608443047 /nfs/dbraw/zinc/44/30/47/608443047.db2.gz KPKLSDLNLYHJBN-UHFFFAOYSA-N -1 3 389.379 2.111 20 5 GEBDHM O=[N+]([O-])c1cnc2ccc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)nn21 ZINC000826500739 608443049 /nfs/dbraw/zinc/44/30/49/608443049.db2.gz KPKLSDLNLYHJBN-UHFFFAOYSA-N -1 3 389.379 2.111 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(OCc3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500851 608561071 /nfs/dbraw/zinc/56/10/71/608561071.db2.gz OTTRVERSHAVHTG-UHFFFAOYSA-N -1 3 399.386 2.495 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(OCc3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500851 608561072 /nfs/dbraw/zinc/56/10/72/608561072.db2.gz OTTRVERSHAVHTG-UHFFFAOYSA-N -1 3 399.386 2.495 20 5 GEBDHM CCS(=O)(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000825669176 609169964 /nfs/dbraw/zinc/16/99/64/609169964.db2.gz RQFGPRDMIGEYIQ-UHFFFAOYSA-N -1 3 388.409 2.181 20 5 GEBDHM CCS(=O)(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000825669176 609169967 /nfs/dbraw/zinc/16/99/67/609169967.db2.gz RQFGPRDMIGEYIQ-UHFFFAOYSA-N -1 3 388.409 2.181 20 5 GEBDHM Cn1ccnc1[C@H](NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826364434 609172031 /nfs/dbraw/zinc/17/20/31/609172031.db2.gz WLILEPYAMPBXLB-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000826364434 609172033 /nfs/dbraw/zinc/17/20/33/609172033.db2.gz WLILEPYAMPBXLB-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM CC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134613 609244989 /nfs/dbraw/zinc/24/49/89/609244989.db2.gz VNVBKAWMJJAYOH-HZPDHXFCSA-N -1 3 382.380 2.076 20 5 GEBDHM CC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134613 609244991 /nfs/dbraw/zinc/24/49/91/609244991.db2.gz VNVBKAWMJJAYOH-HZPDHXFCSA-N -1 3 382.380 2.076 20 5 GEBDHM C[C@@H](CCNC(=O)OC(C)(C)C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824400380 609320610 /nfs/dbraw/zinc/32/06/10/609320610.db2.gz GSWZMVJYMGONMD-JTQLQIEISA-N -1 3 377.405 2.490 20 5 GEBDHM C[C@@H](CCNC(=O)OC(C)(C)C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824400380 609320613 /nfs/dbraw/zinc/32/06/13/609320613.db2.gz GSWZMVJYMGONMD-JTQLQIEISA-N -1 3 377.405 2.490 20 5 GEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC000826439280 609330002 /nfs/dbraw/zinc/33/00/02/609330002.db2.gz MXCAUWAXLDFZJM-UHFFFAOYSA-N -1 3 378.801 2.462 20 5 GEBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1 ZINC000826439280 609330004 /nfs/dbraw/zinc/33/00/04/609330004.db2.gz MXCAUWAXLDFZJM-UHFFFAOYSA-N -1 3 378.801 2.462 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000826263957 609383339 /nfs/dbraw/zinc/38/33/39/609383339.db2.gz XOVSXNXCLXMMGJ-UHFFFAOYSA-N -1 3 398.402 2.252 20 5 GEBDHM O=C1[C@@H](Sc2ccc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477962 609409632 /nfs/dbraw/zinc/40/96/32/609409632.db2.gz QIYSJBRBKQAVPW-AWEZNQCLSA-N -1 3 397.420 2.458 20 5 GEBDHM O=C1[C@@H](Sc2ccc([N+](=O)[O-])cn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477962 609409634 /nfs/dbraw/zinc/40/96/34/609409634.db2.gz QIYSJBRBKQAVPW-AWEZNQCLSA-N -1 3 397.420 2.458 20 5 GEBDHM Cc1nccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000447035783 649995713 /nfs/dbraw/zinc/99/57/13/649995713.db2.gz YRUNKCRYHHUMQD-UHFFFAOYSA-N -1 3 376.316 2.191 20 5 GEBDHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc([N+](=O)[O-])c1C ZINC000451073791 650083858 /nfs/dbraw/zinc/08/38/58/650083858.db2.gz SXMJOUWZYFSMEN-VIFPVBQESA-N -1 3 380.369 2.402 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F)OCCO2 ZINC000451828548 650145799 /nfs/dbraw/zinc/14/57/99/650145799.db2.gz WHJNZIFJMLJOBQ-VIFPVBQESA-N -1 3 378.353 2.080 20 5 GEBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000462706898 650489373 /nfs/dbraw/zinc/48/93/73/650489373.db2.gz XOUUEYRKMRTHMA-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000510533204 650513345 /nfs/dbraw/zinc/51/33/45/650513345.db2.gz JUBZHKWFCDEXHH-XVKPBYJWSA-N -1 3 381.273 2.387 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC(F)F)c(Br)c1 ZINC000510565510 650514310 /nfs/dbraw/zinc/51/43/10/650514310.db2.gz QUMXJKNNLCJTQR-UHFFFAOYSA-N -1 3 389.174 2.265 20 5 GEBDHM Cc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)on1 ZINC000511431600 650537092 /nfs/dbraw/zinc/53/70/92/650537092.db2.gz SPVYBFMWHLAYBL-UHFFFAOYSA-N -1 3 390.215 2.175 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c(C(F)(F)F)c1 ZINC000481255220 650642964 /nfs/dbraw/zinc/64/29/64/650642964.db2.gz TVNQWHPKKABLEV-SNVBAGLBSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cn2ccccc2n1 ZINC000029966284 642472416 /nfs/dbraw/zinc/47/24/16/642472416.db2.gz HTPCARLPSWYDAH-UHFFFAOYSA-N -1 3 380.813 2.417 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2c(c1)OCO2 ZINC000029969706 642472682 /nfs/dbraw/zinc/47/26/82/642472682.db2.gz JBEGWHWSULCUHX-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000491076567 650782602 /nfs/dbraw/zinc/78/26/02/650782602.db2.gz KDILYUGZWVLIMC-UHFFFAOYSA-N -1 3 384.801 2.217 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCN1CCCCC1 ZINC000096997249 643092883 /nfs/dbraw/zinc/09/28/83/643092883.db2.gz QESHRSOYBQHAFI-UHFFFAOYSA-N -1 3 392.275 2.122 20 5 GEBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121483580 643633482 /nfs/dbraw/zinc/63/34/82/643633482.db2.gz HJAXQLKIQALZHB-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000128363518 643800599 /nfs/dbraw/zinc/80/05/99/643800599.db2.gz OCUHAXJQNUQNJO-GHMZBOCLSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccn3)C2)c(Cl)c1 ZINC000159345591 644188179 /nfs/dbraw/zinc/18/81/79/644188179.db2.gz UZRPFHQYTCQOOK-LLVKDONJSA-N -1 3 382.829 2.200 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1 ZINC000173052905 644348972 /nfs/dbraw/zinc/34/89/72/644348972.db2.gz DPUCWYMQRPRHOT-VIFPVBQESA-N -1 3 379.232 2.062 20 5 GEBDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000246768058 645493681 /nfs/dbraw/zinc/49/36/81/645493681.db2.gz YMXYYKYZAODUSX-HIBRMCEJSA-N -1 3 378.447 2.092 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000269463331 646036436 /nfs/dbraw/zinc/03/64/36/646036436.db2.gz HQFKFKACNBDHEC-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM CCOCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269482419 646039163 /nfs/dbraw/zinc/03/91/63/646039163.db2.gz OYMWFVHUGFMUGI-UHFFFAOYSA-N -1 3 381.248 2.452 20 5 GEBDHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269773588 646055143 /nfs/dbraw/zinc/05/51/43/646055143.db2.gz NGVHUMHTXNUGGF-NSHDSACASA-N -1 3 388.389 2.006 20 5 GEBDHM O=C([N-]c1n[nH]c(SCCO)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000270924779 646153864 /nfs/dbraw/zinc/15/38/64/646153864.db2.gz XBHQCEXYUNBIRM-UHFFFAOYSA-N -1 3 377.304 2.068 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000416410471 648116228 /nfs/dbraw/zinc/11/62/28/648116228.db2.gz XGWWUYIXOYRZTR-QMMMGPOBSA-N -1 3 378.332 2.387 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O ZINC000416453926 648129696 /nfs/dbraw/zinc/12/96/96/648129696.db2.gz DFSMAFRFBRMYIT-JOYOIKCWSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO ZINC000416476148 648139538 /nfs/dbraw/zinc/13/95/38/648139538.db2.gz XAHGBOXBRMZERN-KOLCDFICSA-N -1 3 382.360 2.443 20 5 GEBDHM CC(C)(C)OC(=O)NCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000728933427 651555344 /nfs/dbraw/zinc/55/53/44/651555344.db2.gz POYVIEJNBRONDI-UHFFFAOYSA-N -1 3 393.849 2.441 20 5 GEBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000612668384 651764805 /nfs/dbraw/zinc/76/48/05/651764805.db2.gz RYSQZNMWNBMXID-GFCCVEGCSA-N -1 3 384.435 2.380 20 5 GEBDHM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000751223478 652332676 /nfs/dbraw/zinc/33/26/76/652332676.db2.gz XCLKBCFEWPUZBM-ZDUSSCGKSA-N -1 3 386.813 2.269 20 5 GEBDHM C[C@@H]1Cc2cc(S(=O)(=O)NN=c3[n-]cccc3[N+](=O)[O-])cc(Cl)c2O1 ZINC000759167979 652565543 /nfs/dbraw/zinc/56/55/43/652565543.db2.gz IEJCUNBRLMUOOI-MRVPVSSYSA-N -1 3 384.801 2.272 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)nc1 ZINC000593573694 652625590 /nfs/dbraw/zinc/62/55/90/652625590.db2.gz SDMVPWSHYNQFSX-LBPRGKRZSA-N -1 3 382.829 2.200 20 5 GEBDHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000762340098 652686598 /nfs/dbraw/zinc/68/65/98/652686598.db2.gz QMZMWEIHWFDYQI-KWQFWETISA-N -1 3 379.232 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(Br)c1 ZINC000599365304 652864471 /nfs/dbraw/zinc/86/44/71/652864471.db2.gz YLHOWRGOXXNXEJ-SNVBAGLBSA-N -1 3 393.259 2.452 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601374672 653089188 /nfs/dbraw/zinc/08/91/88/653089188.db2.gz HYMZBIFIACVPNI-ABAIWWIYSA-N -1 3 390.458 2.375 20 5 GEBDHM C[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCOC1 ZINC000771817059 653128629 /nfs/dbraw/zinc/12/86/29/653128629.db2.gz BPQTXLGDSQFMHL-LBPRGKRZSA-N -1 3 379.232 2.205 20 5 GEBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825240 653303022 /nfs/dbraw/zinc/30/30/22/653303022.db2.gz CEIIVWPVRWWAHV-PRHODGIISA-N -1 3 377.825 2.148 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCN(C2CC2)C1 ZINC000814987196 653642064 /nfs/dbraw/zinc/64/20/64/653642064.db2.gz LLKMWLCXRYIHCR-VIFPVBQESA-N -1 3 377.825 2.150 20 5 GEBDHM CN(C)[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCSC1 ZINC000815020696 653644464 /nfs/dbraw/zinc/64/44/64/653644464.db2.gz CMHMFTIMBLMROO-CYBMUJFWSA-N -1 3 397.881 2.103 20 5 GEBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000815024105 653645124 /nfs/dbraw/zinc/64/51/24/653645124.db2.gz SCAAJQKCABFUST-IUCAKERBSA-N -1 3 377.825 2.291 20 5 GEBDHM CC1(C)OCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CO1 ZINC000841513463 653724186 /nfs/dbraw/zinc/72/41/86/653724186.db2.gz MLCQOKBUPHXKDM-UHFFFAOYSA-N -1 3 384.332 2.043 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H](O)C(C)C ZINC000841561456 653734125 /nfs/dbraw/zinc/73/41/25/653734125.db2.gz PLDIAIMJKAFLKZ-AAEUAGOBSA-N -1 3 395.275 2.431 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000795796334 653967313 /nfs/dbraw/zinc/96/73/13/653967313.db2.gz OHRDPRBDMYLUES-VXGBXAGGSA-N -1 3 377.825 2.292 20 5 GEBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828076258 654021005 /nfs/dbraw/zinc/02/10/05/654021005.db2.gz VBHFLBZPXXZAQD-ZJUUUORDSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000921856969 654332482 /nfs/dbraw/zinc/33/24/82/654332482.db2.gz ZJHLWJWIPROKRA-ZWNOBZJWSA-N -1 3 382.360 2.457 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl ZINC000856752173 654491482 /nfs/dbraw/zinc/49/14/82/654491482.db2.gz OIJWUBISXFYAIG-MRVPVSSYSA-N -1 3 397.236 2.244 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1CCc2sccc2C1 ZINC000053673407 531770090 /nfs/dbraw/zinc/77/00/90/531770090.db2.gz MGQQESGDCFGHST-UHFFFAOYSA-N -1 3 381.479 2.301 20 5 GEBDHM CC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000160981169 531822230 /nfs/dbraw/zinc/82/22/30/531822230.db2.gz VRCMJLLPHFOQLD-UHFFFAOYSA-N -1 3 379.232 2.205 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000123074082 532091475 /nfs/dbraw/zinc/09/14/75/532091475.db2.gz WTLQWQBUDUQDGW-UHFFFAOYSA-N -1 3 379.423 2.024 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000123530759 532101284 /nfs/dbraw/zinc/10/12/84/532101284.db2.gz RIEBNWOXVOXSBA-NXEZZACHSA-N -1 3 375.472 2.033 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCN(c2ncccc2Cl)C1 ZINC000127993205 532160087 /nfs/dbraw/zinc/16/00/87/532160087.db2.gz RWTWSQPGBTYVAD-NSHDSACASA-N -1 3 382.829 2.200 20 5 GEBDHM C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000180942398 532286910 /nfs/dbraw/zinc/28/69/10/532286910.db2.gz JEHGGCMHXNSBAB-NSHDSACASA-N -1 3 384.845 2.272 20 5 GEBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000182485939 532313986 /nfs/dbraw/zinc/31/39/86/532313986.db2.gz QDLVAFFZQPQFLL-VIFPVBQESA-N -1 3 395.275 2.433 20 5 GEBDHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295193210 532415445 /nfs/dbraw/zinc/41/54/45/532415445.db2.gz ATPVAJSJCYOVHD-MRVPVSSYSA-N -1 3 381.248 2.185 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCCOCC2CCOCC2)cc1[N+](=O)[O-] ZINC000467074618 532437575 /nfs/dbraw/zinc/43/75/75/532437575.db2.gz LWUPAYIRHSKABB-UHFFFAOYSA-N -1 3 378.472 2.076 20 5 GEBDHM COCCOc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467425549 532446781 /nfs/dbraw/zinc/44/67/81/532446781.db2.gz PHMVWXLGGXVWIN-UHFFFAOYSA-N -1 3 386.451 2.468 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)nc1 ZINC000593541704 532485239 /nfs/dbraw/zinc/48/52/39/532485239.db2.gz SEECGPBGNCMIKY-UHFFFAOYSA-N -1 3 382.467 2.236 20 5 GEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n(C2CCN(C)CC2)n1 ZINC000432376013 532537150 /nfs/dbraw/zinc/53/71/50/532537150.db2.gz URWDJFNJDWRAOL-UHFFFAOYSA-N -1 3 385.471 2.229 20 5 GEBDHM COC1CC(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000594790663 532528842 /nfs/dbraw/zinc/52/88/42/532528842.db2.gz WDEZBCRPHUEIAT-UHFFFAOYSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nccn1C ZINC000595383952 532562029 /nfs/dbraw/zinc/56/20/29/532562029.db2.gz RWGCBYSZHUWHOO-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000472341461 532572281 /nfs/dbraw/zinc/57/22/81/532572281.db2.gz XQXVSJDXCULTNE-UHFFFAOYSA-N -1 3 387.801 2.009 20 5 GEBDHM O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[N-]S(=O)(=O)c1cccs1 ZINC000436417608 532634032 /nfs/dbraw/zinc/63/40/32/532634032.db2.gz ZXOKCSUPHFDUHZ-UHFFFAOYSA-N -1 3 396.372 2.461 20 5 GEBDHM Cc1c(Br)c(NCCNC(=O)c2ccc([O-])cc2)ncc1[N+](=O)[O-] ZINC000436886460 532646396 /nfs/dbraw/zinc/64/63/96/532646396.db2.gz RXTARPQERCTWHC-UHFFFAOYSA-N -1 3 395.213 2.608 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599459442 532660918 /nfs/dbraw/zinc/66/09/18/532660918.db2.gz JYDQPVBIHXAJKA-NMSKTSORSA-N -1 3 393.259 2.448 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1ccsc1Cl ZINC000480368141 532663936 /nfs/dbraw/zinc/66/39/36/532663936.db2.gz CEUNOYPBBCXUOJ-UHFFFAOYSA-N -1 3 375.859 2.378 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000599372377 532659724 /nfs/dbraw/zinc/65/97/24/532659724.db2.gz IUHVJAJWIJPVIP-LLVKDONJSA-N -1 3 378.332 2.182 20 5 GEBDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000285682121 532698571 /nfs/dbraw/zinc/69/85/71/532698571.db2.gz RBXMVVRWTIGWQB-ZJUUUORDSA-N -1 3 393.259 2.308 20 5 GEBDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000285748374 532703728 /nfs/dbraw/zinc/70/37/28/532703728.db2.gz WIXURGDNPNQCSA-NXEZZACHSA-N -1 3 393.259 2.308 20 5 GEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(F)c1 ZINC000440669700 532721192 /nfs/dbraw/zinc/72/11/92/532721192.db2.gz IFJTWQPFMQRQAB-UHFFFAOYSA-N -1 3 375.328 2.403 20 5 GEBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000542240722 532767819 /nfs/dbraw/zinc/76/78/19/532767819.db2.gz QTUXQBJSYKGQED-VIFPVBQESA-N -1 3 395.275 2.433 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000326815714 532791086 /nfs/dbraw/zinc/79/10/86/532791086.db2.gz GQWFMRXRQMWPTN-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000273490854 532824931 /nfs/dbraw/zinc/82/49/31/532824931.db2.gz HCZSBWQAKBGVNS-CMPLNLGQSA-N -1 3 388.467 2.334 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)c1C ZINC000274276801 532846853 /nfs/dbraw/zinc/84/68/53/532846853.db2.gz TWFZVOSGCVCHAL-UHFFFAOYSA-N -1 3 382.467 2.035 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c(Br)c1 ZINC000275233919 532869287 /nfs/dbraw/zinc/86/92/87/532869287.db2.gz WCSHSFQYQAOTCR-BXKDBHETSA-N -1 3 393.259 2.187 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCc2nccs2)cc1[N+](=O)[O-] ZINC000290174171 532874533 /nfs/dbraw/zinc/87/45/33/532874533.db2.gz QBWZQTIEWGASTB-UHFFFAOYSA-N -1 3 375.403 2.110 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000416387247 532874650 /nfs/dbraw/zinc/87/46/50/532874650.db2.gz MENINDCGPNCENN-SECBINFHSA-N -1 3 381.376 2.375 20 5 GEBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000416382570 532874269 /nfs/dbraw/zinc/87/42/69/532874269.db2.gz JTDMQVFEQRJRLC-GFCCVEGCSA-N -1 3 384.332 2.234 20 5 GEBDHM CN(CC(=O)[O-])C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000416406269 532876710 /nfs/dbraw/zinc/87/67/10/532876710.db2.gz XJKSMGQXYAJHLI-SNVBAGLBSA-N -1 3 378.212 2.123 20 5 GEBDHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416444268 532877650 /nfs/dbraw/zinc/87/76/50/532877650.db2.gz XTFFAWFSZHBZRP-XCBNKYQSSA-N -1 3 388.389 2.004 20 5 GEBDHM C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@](C)=O ZINC000416433260 532877283 /nfs/dbraw/zinc/87/72/83/532877283.db2.gz ODSRHGLOLPCBNJ-MEFFNOMFSA-N -1 3 388.389 2.049 20 5 GEBDHM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C2 ZINC000368022489 532929616 /nfs/dbraw/zinc/92/96/16/532929616.db2.gz QAQJWXIEJDBGMW-LLVKDONJSA-N -1 3 384.845 2.355 20 5 GEBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000736041505 598886458 /nfs/dbraw/zinc/88/64/58/598886458.db2.gz WXPHDPVVFUANOQ-LBPRGKRZSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000736041505 598886460 /nfs/dbraw/zinc/88/64/60/598886460.db2.gz WXPHDPVVFUANOQ-LBPRGKRZSA-N -1 3 383.364 2.328 20 5 GEBDHM CC(C)(C(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000735582712 598908902 /nfs/dbraw/zinc/90/89/02/598908902.db2.gz NOFAEHAGWZVTBS-UHFFFAOYSA-N -1 3 397.395 2.103 20 5 GEBDHM CC(C)(C(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000735582712 598908903 /nfs/dbraw/zinc/90/89/03/598908903.db2.gz NOFAEHAGWZVTBS-UHFFFAOYSA-N -1 3 397.395 2.103 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(c2cccc(F)c2F)CC1 ZINC000738360320 599059788 /nfs/dbraw/zinc/05/97/88/599059788.db2.gz VNQDZTDMIFPINB-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(c2cccc(F)c2F)CC1 ZINC000738360320 599059791 /nfs/dbraw/zinc/05/97/91/599059791.db2.gz VNQDZTDMIFPINB-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000737282857 599082778 /nfs/dbraw/zinc/08/27/78/599082778.db2.gz JXRLJBGKECDZGY-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737282857 599082782 /nfs/dbraw/zinc/08/27/82/599082782.db2.gz JXRLJBGKECDZGY-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736692783 599085263 /nfs/dbraw/zinc/08/52/63/599085263.db2.gz YNDPJFHSLJJUGN-UHFFFAOYSA-N -1 3 393.356 2.244 20 5 GEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988855 599116074 /nfs/dbraw/zinc/11/60/74/599116074.db2.gz SSCYRDRAFIWSQK-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM COCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988855 599116078 /nfs/dbraw/zinc/11/60/78/599116078.db2.gz SSCYRDRAFIWSQK-UHFFFAOYSA-N -1 3 382.380 2.377 20 5 GEBDHM CCNc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000736585435 599211451 /nfs/dbraw/zinc/21/14/51/599211451.db2.gz XLDGMAKQYYRSAZ-UHFFFAOYSA-N -1 3 397.395 2.016 20 5 GEBDHM COc1cccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737139659 599231062 /nfs/dbraw/zinc/23/10/62/599231062.db2.gz NBYRQUDTWRRXGQ-LBPRGKRZSA-N -1 3 396.411 2.259 20 5 GEBDHM COc1cccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737139659 599231065 /nfs/dbraw/zinc/23/10/65/599231065.db2.gz NBYRQUDTWRRXGQ-LBPRGKRZSA-N -1 3 396.411 2.259 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367944 599255992 /nfs/dbraw/zinc/25/59/92/599255992.db2.gz XKNAJXQBTZHFCY-INIZCTEOSA-N -1 3 377.364 2.469 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738367944 599255993 /nfs/dbraw/zinc/25/59/93/599255993.db2.gz XKNAJXQBTZHFCY-INIZCTEOSA-N -1 3 377.364 2.469 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c1C ZINC000822213015 607328230 /nfs/dbraw/zinc/32/82/30/607328230.db2.gz QVIISBYCPQAQDP-UHFFFAOYSA-N -1 3 392.372 2.332 20 5 GEBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000799793264 607331364 /nfs/dbraw/zinc/33/13/64/607331364.db2.gz LFYYTVVMZCHEMO-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000799793264 607331365 /nfs/dbraw/zinc/33/13/65/607331365.db2.gz LFYYTVVMZCHEMO-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823634438 607332251 /nfs/dbraw/zinc/33/22/51/607332251.db2.gz FMWNMDOTLAOJQI-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823634438 607332252 /nfs/dbraw/zinc/33/22/52/607332252.db2.gz FMWNMDOTLAOJQI-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(N2CCC(c3nnc4ccccn43)CC2)ccc1-c1nnn[n-]1 ZINC000823634225 607345646 /nfs/dbraw/zinc/34/56/46/607345646.db2.gz DWMMTOUGAPBRQX-UHFFFAOYSA-N -1 3 391.395 2.202 20 5 GEBDHM CNC(=O)CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736872936 598244872 /nfs/dbraw/zinc/24/48/72/598244872.db2.gz DXFVFPRLPDMRFG-UHFFFAOYSA-N -1 3 383.368 2.033 20 5 GEBDHM CNC(=O)CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736872936 598244874 /nfs/dbraw/zinc/24/48/74/598244874.db2.gz DXFVFPRLPDMRFG-UHFFFAOYSA-N -1 3 383.368 2.033 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000738371726 598259934 /nfs/dbraw/zinc/25/99/34/598259934.db2.gz XLUZFHSHXYRBDO-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000738371726 598259935 /nfs/dbraw/zinc/25/99/35/598259935.db2.gz XLUZFHSHXYRBDO-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738222953 598290183 /nfs/dbraw/zinc/29/01/83/598290183.db2.gz QQSKLUJYOQOKJT-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738222953 598290185 /nfs/dbraw/zinc/29/01/85/598290185.db2.gz QQSKLUJYOQOKJT-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000737481742 598315796 /nfs/dbraw/zinc/31/57/96/598315796.db2.gz AHICRPCFJJAEPS-UHFFFAOYSA-N -1 3 394.189 2.121 20 5 GEBDHM Cc1nc([N+](=O)[O-])c(Br)n1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000737481742 598315798 /nfs/dbraw/zinc/31/57/98/598315798.db2.gz AHICRPCFJJAEPS-UHFFFAOYSA-N -1 3 394.189 2.121 20 5 GEBDHM COc1cccc(N2CC[C@@H](CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737138377 598354062 /nfs/dbraw/zinc/35/40/62/598354062.db2.gz HBVADUWYDUPNBN-LBPRGKRZSA-N -1 3 396.411 2.117 20 5 GEBDHM COc1cccc(N2CC[C@@H](CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737138377 598354065 /nfs/dbraw/zinc/35/40/65/598354065.db2.gz HBVADUWYDUPNBN-LBPRGKRZSA-N -1 3 396.411 2.117 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cn4ccccc4c3-c3nnn[n-]3)n2)c1 ZINC000738366085 598377696 /nfs/dbraw/zinc/37/76/96/598377696.db2.gz BOQAYKRQBIWNNS-UHFFFAOYSA-N -1 3 387.363 2.334 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2ncn(Cc3cn4ccccc4c3-c3nn[n-]n3)n2)c1 ZINC000738366085 598377697 /nfs/dbraw/zinc/37/76/97/598377697.db2.gz BOQAYKRQBIWNNS-UHFFFAOYSA-N -1 3 387.363 2.334 20 5 GEBDHM O=C(CC(F)(F)F)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737809912 598394492 /nfs/dbraw/zinc/39/44/92/598394492.db2.gz VOHILVHQHPIVLL-UHFFFAOYSA-N -1 3 399.333 2.130 20 5 GEBDHM O=C(CC(F)(F)F)N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737809912 598394494 /nfs/dbraw/zinc/39/44/94/598394494.db2.gz VOHILVHQHPIVLL-UHFFFAOYSA-N -1 3 399.333 2.130 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118974 598442604 /nfs/dbraw/zinc/44/26/04/598442604.db2.gz LPZRWPAMKMDCNR-SNVBAGLBSA-N -1 3 396.363 2.037 20 5 GEBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118974 598442606 /nfs/dbraw/zinc/44/26/06/598442606.db2.gz LPZRWPAMKMDCNR-SNVBAGLBSA-N -1 3 396.363 2.037 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1nnc2n1CCCCC2 ZINC000738359378 598457194 /nfs/dbraw/zinc/45/71/94/598457194.db2.gz QGIBMPFLAIOPMQ-UHFFFAOYSA-N -1 3 383.416 2.138 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCc1nnc2n1CCCCC2 ZINC000738359378 598457196 /nfs/dbraw/zinc/45/71/96/598457196.db2.gz QGIBMPFLAIOPMQ-UHFFFAOYSA-N -1 3 383.416 2.138 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738358267 598459616 /nfs/dbraw/zinc/45/96/16/598459616.db2.gz DLGWGICBDAROPQ-UHFFFAOYSA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738358267 598459618 /nfs/dbraw/zinc/45/96/18/598459618.db2.gz DLGWGICBDAROPQ-UHFFFAOYSA-N -1 3 384.375 2.390 20 5 GEBDHM C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736159789 598485938 /nfs/dbraw/zinc/48/59/38/598485938.db2.gz OQEQSFSULRRMRU-NSHDSACASA-N -1 3 393.363 2.429 20 5 GEBDHM C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736159789 598485941 /nfs/dbraw/zinc/48/59/41/598485941.db2.gz OQEQSFSULRRMRU-NSHDSACASA-N -1 3 393.363 2.429 20 5 GEBDHM CCN(CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736536580 598497151 /nfs/dbraw/zinc/49/71/51/598497151.db2.gz DPRJYSFNLVAIBS-UHFFFAOYSA-N -1 3 392.420 2.229 20 5 GEBDHM CCN(CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736536580 598497153 /nfs/dbraw/zinc/49/71/53/598497153.db2.gz DPRJYSFNLVAIBS-UHFFFAOYSA-N -1 3 392.420 2.229 20 5 GEBDHM CCc1c(C)sc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1-c1nnn[n-]1 ZINC000736672075 598513826 /nfs/dbraw/zinc/51/38/26/598513826.db2.gz XQBOCZYBOAYLMK-UHFFFAOYSA-N -1 3 390.429 2.241 20 5 GEBDHM CCc1c(C)sc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1-c1nn[n-]n1 ZINC000736672075 598513827 /nfs/dbraw/zinc/51/38/27/598513827.db2.gz XQBOCZYBOAYLMK-UHFFFAOYSA-N -1 3 390.429 2.241 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737087195 598531727 /nfs/dbraw/zinc/53/17/27/598531727.db2.gz LQRWYRUVMSEZQI-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737087195 598531729 /nfs/dbraw/zinc/53/17/29/598531729.db2.gz LQRWYRUVMSEZQI-UHFFFAOYSA-N -1 3 387.327 2.209 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(N2CCOCC2)c(F)c1 ZINC000738357569 598551714 /nfs/dbraw/zinc/55/17/14/598551714.db2.gz FOPZOSILLWPZPZ-UHFFFAOYSA-N -1 3 385.359 2.494 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc(N2CCOCC2)c(F)c1 ZINC000738357569 598551716 /nfs/dbraw/zinc/55/17/16/598551716.db2.gz FOPZOSILLWPZPZ-UHFFFAOYSA-N -1 3 385.359 2.494 20 5 GEBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000738320182 598567457 /nfs/dbraw/zinc/56/74/57/598567457.db2.gz RUGSPCOBSKURCP-WLRTZDKTSA-N -1 3 398.285 2.398 20 5 GEBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000738320182 598567459 /nfs/dbraw/zinc/56/74/59/598567459.db2.gz RUGSPCOBSKURCP-WLRTZDKTSA-N -1 3 398.285 2.398 20 5 GEBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000737955311 598586863 /nfs/dbraw/zinc/58/68/63/598586863.db2.gz FBZFBPGPLBMRTK-UHFFFAOYSA-N -1 3 390.363 2.142 20 5 GEBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000737955311 598586865 /nfs/dbraw/zinc/58/68/65/598586865.db2.gz FBZFBPGPLBMRTK-UHFFFAOYSA-N -1 3 390.363 2.142 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000738165920 598586923 /nfs/dbraw/zinc/58/69/23/598586923.db2.gz HAKHZRJGSHIJFL-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000738165920 598586925 /nfs/dbraw/zinc/58/69/25/598586925.db2.gz HAKHZRJGSHIJFL-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736296089 598601741 /nfs/dbraw/zinc/60/17/41/598601741.db2.gz CYAFJJFDEUZPAL-NSHDSACASA-N -1 3 379.380 2.165 20 5 GEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736296089 598601743 /nfs/dbraw/zinc/60/17/43/598601743.db2.gz CYAFJJFDEUZPAL-NSHDSACASA-N -1 3 379.380 2.165 20 5 GEBDHM COc1cccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737137236 598601766 /nfs/dbraw/zinc/60/17/66/598601766.db2.gz CMLSRRNJOCZYGF-CYBMUJFWSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1cccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737137236 598601768 /nfs/dbraw/zinc/60/17/68/598601768.db2.gz CMLSRRNJOCZYGF-CYBMUJFWSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737091461 598626251 /nfs/dbraw/zinc/62/62/51/598626251.db2.gz CEDBSLUKRRJVDU-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM COc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737091461 598626253 /nfs/dbraw/zinc/62/62/53/598626253.db2.gz CEDBSLUKRRJVDU-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826415372 607363177 /nfs/dbraw/zinc/36/31/77/607363177.db2.gz BXMYCPRZKCUNKF-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826415372 607363178 /nfs/dbraw/zinc/36/31/78/607363178.db2.gz BXMYCPRZKCUNKF-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(Nc1ccccc1)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000823368324 599330617 /nfs/dbraw/zinc/33/06/17/599330617.db2.gz UOBKGZCRFZSBAU-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM O=C(Nc1ccccc1)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000823368324 599330621 /nfs/dbraw/zinc/33/06/21/599330621.db2.gz UOBKGZCRFZSBAU-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735965537 599349160 /nfs/dbraw/zinc/34/91/60/599349160.db2.gz MORVVHGLIGECPS-GFCCVEGCSA-N -1 3 383.416 2.331 20 5 GEBDHM CC(C)n1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735965537 599349163 /nfs/dbraw/zinc/34/91/63/599349163.db2.gz MORVVHGLIGECPS-GFCCVEGCSA-N -1 3 383.416 2.331 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415401 607371037 /nfs/dbraw/zinc/37/10/37/607371037.db2.gz DPASVJCKSSFDOG-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415401 607371039 /nfs/dbraw/zinc/37/10/39/607371039.db2.gz DPASVJCKSSFDOG-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CN1CCOCC1)c1ccccc1 ZINC000823630076 599380091 /nfs/dbraw/zinc/38/00/91/599380091.db2.gz QQNGCZNGAPJMAC-QGZVFWFLSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CN1CCOCC1)c1ccccc1 ZINC000823630076 599380093 /nfs/dbraw/zinc/38/00/93/599380093.db2.gz QQNGCZNGAPJMAC-QGZVFWFLSA-N -1 3 395.423 2.260 20 5 GEBDHM COc1cc(CNCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])cc1OC ZINC000821717819 599456000 /nfs/dbraw/zinc/45/60/00/599456000.db2.gz ZXTKVVNRZNSOCN-UHFFFAOYSA-N -1 3 388.359 2.221 20 5 GEBDHM C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820328270 599525740 /nfs/dbraw/zinc/52/57/40/599525740.db2.gz OOTBIJGXGPADBZ-GFCCVEGCSA-N -1 3 381.396 2.089 20 5 GEBDHM C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820328270 599525742 /nfs/dbraw/zinc/52/57/42/599525742.db2.gz OOTBIJGXGPADBZ-GFCCVEGCSA-N -1 3 381.396 2.089 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3Cn3cccn3)cc(-c3nnn[n-]3)c2c1 ZINC000823644134 599538297 /nfs/dbraw/zinc/53/82/97/599538297.db2.gz GEEOUNMWIDTSBC-CYBMUJFWSA-N -1 3 391.395 2.189 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3Cn3cccn3)cc(-c3nn[n-]n3)c2c1 ZINC000823644134 599538300 /nfs/dbraw/zinc/53/83/00/599538300.db2.gz GEEOUNMWIDTSBC-CYBMUJFWSA-N -1 3 391.395 2.189 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCOC[C@H]3CCOC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643866 599570195 /nfs/dbraw/zinc/57/01/95/599570195.db2.gz DFKREKPXXLZIPY-GFCCVEGCSA-N -1 3 399.411 2.178 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCOC[C@H]3CCOC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643866 599570196 /nfs/dbraw/zinc/57/01/96/599570196.db2.gz DFKREKPXXLZIPY-GFCCVEGCSA-N -1 3 399.411 2.178 20 5 GEBDHM Cc1ccc([C@@H](O)CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822231010 599572139 /nfs/dbraw/zinc/57/21/39/599572139.db2.gz XPNGKRLTUFLDRW-AWEZNQCLSA-N -1 3 381.352 2.370 20 5 GEBDHM Cc1ccc([C@@H](O)CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822231010 599572141 /nfs/dbraw/zinc/57/21/41/599572141.db2.gz XPNGKRLTUFLDRW-AWEZNQCLSA-N -1 3 381.352 2.370 20 5 GEBDHM Cc1ccc([C@H](O)CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822231011 599572295 /nfs/dbraw/zinc/57/22/95/599572295.db2.gz XPNGKRLTUFLDRW-CQSZACIVSA-N -1 3 381.352 2.370 20 5 GEBDHM Cc1ccc([C@H](O)CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822231011 599572299 /nfs/dbraw/zinc/57/22/99/599572299.db2.gz XPNGKRLTUFLDRW-CQSZACIVSA-N -1 3 381.352 2.370 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCSCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651174 599574894 /nfs/dbraw/zinc/57/48/94/599574894.db2.gz HSYJEFFYUDIJBU-UHFFFAOYSA-N -1 3 384.425 2.467 20 5 GEBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCSCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651174 599574897 /nfs/dbraw/zinc/57/48/97/599574897.db2.gz HSYJEFFYUDIJBU-UHFFFAOYSA-N -1 3 384.425 2.467 20 5 GEBDHM Cc1ccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822240856 599589120 /nfs/dbraw/zinc/58/91/20/599589120.db2.gz BKOIOOFVENIBAM-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822240856 599589122 /nfs/dbraw/zinc/58/91/22/599589122.db2.gz BKOIOOFVENIBAM-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000826251555 607386533 /nfs/dbraw/zinc/38/65/33/607386533.db2.gz SVEMAAHSSIMPFG-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000826251555 607386535 /nfs/dbraw/zinc/38/65/35/607386535.db2.gz SVEMAAHSSIMPFG-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM CN(CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000821594097 599670891 /nfs/dbraw/zinc/67/08/91/599670891.db2.gz YNHQXFBNAAJRAE-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM CN(CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000821594097 599670892 /nfs/dbraw/zinc/67/08/92/599670892.db2.gz YNHQXFBNAAJRAE-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826407928 607422976 /nfs/dbraw/zinc/42/29/76/607422976.db2.gz ILDLQMSFNRHJPK-UHFFFAOYSA-N -1 3 393.407 2.382 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407928 607422978 /nfs/dbraw/zinc/42/29/78/607422978.db2.gz ILDLQMSFNRHJPK-UHFFFAOYSA-N -1 3 393.407 2.382 20 5 GEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826439741 607459847 /nfs/dbraw/zinc/45/98/47/607459847.db2.gz HZHPGMGEFGAEMH-UHFFFAOYSA-N -1 3 393.407 2.306 20 5 GEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826439741 607459848 /nfs/dbraw/zinc/45/98/48/607459848.db2.gz HZHPGMGEFGAEMH-UHFFFAOYSA-N -1 3 393.407 2.306 20 5 GEBDHM COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1-c1nnn[n-]1 ZINC000826194951 607480549 /nfs/dbraw/zinc/48/05/49/607480549.db2.gz BTQNEXHWWYUULI-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1-c1nn[n-]n1 ZINC000826194951 607480551 /nfs/dbraw/zinc/48/05/51/607480551.db2.gz BTQNEXHWWYUULI-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(N(C)C(=O)[O-])CC1 ZINC000738106367 602531834 /nfs/dbraw/zinc/53/18/34/602531834.db2.gz NSZXKAJXGNRRRU-UHFFFAOYSA-N -1 3 380.401 2.006 20 5 GEBDHM CCc1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825704425 607580503 /nfs/dbraw/zinc/58/05/03/607580503.db2.gz HUIPWIQOEBTQHT-UHFFFAOYSA-N -1 3 382.380 2.276 20 5 GEBDHM CCc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825704425 607580505 /nfs/dbraw/zinc/58/05/05/607580505.db2.gz HUIPWIQOEBTQHT-UHFFFAOYSA-N -1 3 382.380 2.276 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826498024 607605856 /nfs/dbraw/zinc/60/58/56/607605856.db2.gz DTBWRHAQXCCPJX-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM C[C@@H]1CCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CNC(=O)[O-] ZINC000825926346 603709464 /nfs/dbraw/zinc/70/94/64/603709464.db2.gz WNGAOAKVDBZUSE-DOMZBBRYSA-N -1 3 392.412 2.261 20 5 GEBDHM COc1ccc(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829454352 603974956 /nfs/dbraw/zinc/97/49/56/603974956.db2.gz UQTNLXVQWGVJJL-OLZOCXBDSA-N -1 3 392.412 2.149 20 5 GEBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000444290030 649945267 /nfs/dbraw/zinc/94/52/67/649945267.db2.gz JARLZEFLTVZVEC-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000833686400 605021179 /nfs/dbraw/zinc/02/11/79/605021179.db2.gz UMKFBBPTCPCRGD-CQSZACIVSA-N -1 3 393.465 2.470 20 5 GEBDHM COc1cc(NCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc(OC)c1 ZINC000826180334 607730040 /nfs/dbraw/zinc/73/00/40/607730040.db2.gz CLGBZCSTTMDIAZ-UHFFFAOYSA-N -1 3 385.384 2.316 20 5 GEBDHM COc1cc(NCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc(OC)c1 ZINC000826180334 607730041 /nfs/dbraw/zinc/73/00/41/607730041.db2.gz CLGBZCSTTMDIAZ-UHFFFAOYSA-N -1 3 385.384 2.316 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825205469 607736147 /nfs/dbraw/zinc/73/61/47/607736147.db2.gz WGSBCAMNGAPDEE-IAQYHMDHSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825205469 607736148 /nfs/dbraw/zinc/73/61/48/607736148.db2.gz WGSBCAMNGAPDEE-IAQYHMDHSA-N -1 3 385.428 2.224 20 5 GEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000820534546 606129790 /nfs/dbraw/zinc/12/97/90/606129790.db2.gz LIIDNJNKBRLFBJ-JTQLQIEISA-N -1 3 387.327 2.425 20 5 GEBDHM O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823551433 606222392 /nfs/dbraw/zinc/22/23/92/606222392.db2.gz QRGYRFNXOPWBRF-UHFFFAOYSA-N -1 3 381.352 2.344 20 5 GEBDHM O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823551433 606222393 /nfs/dbraw/zinc/22/23/93/606222393.db2.gz QRGYRFNXOPWBRF-UHFFFAOYSA-N -1 3 381.352 2.344 20 5 GEBDHM Cc1nc2n(n1)CCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822463395 606228132 /nfs/dbraw/zinc/22/81/32/606228132.db2.gz PXQQXZRICXCGCE-AWEZNQCLSA-N -1 3 392.383 2.170 20 5 GEBDHM Cc1nc2n(n1)CCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822463395 606228133 /nfs/dbraw/zinc/22/81/33/606228133.db2.gz PXQQXZRICXCGCE-AWEZNQCLSA-N -1 3 392.383 2.170 20 5 GEBDHM COc1cc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821727742 606339676 /nfs/dbraw/zinc/33/96/76/606339676.db2.gz NVSGWOQPGJABFW-LLVKDONJSA-N -1 3 399.363 2.467 20 5 GEBDHM COc1cc(OCC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821727742 606339679 /nfs/dbraw/zinc/33/96/79/606339679.db2.gz NVSGWOQPGJABFW-LLVKDONJSA-N -1 3 399.363 2.467 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648717 606364610 /nfs/dbraw/zinc/36/46/10/606364610.db2.gz QPGJPEFIOOOFSZ-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648717 606364612 /nfs/dbraw/zinc/36/46/12/606364612.db2.gz QPGJPEFIOOOFSZ-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823037208 606364838 /nfs/dbraw/zinc/36/48/38/606364838.db2.gz UGKAQDXSYAHEHD-UHFFFAOYSA-N -1 3 396.319 2.038 20 5 GEBDHM O=C(NCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCC1 ZINC000823192292 606426855 /nfs/dbraw/zinc/42/68/55/606426855.db2.gz VYIAEKOGIVEIPQ-UHFFFAOYSA-N -1 3 396.411 2.041 20 5 GEBDHM O=C(NCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CCC1 ZINC000823192292 606426857 /nfs/dbraw/zinc/42/68/57/606426857.db2.gz VYIAEKOGIVEIPQ-UHFFFAOYSA-N -1 3 396.411 2.041 20 5 GEBDHM CCOc1cc(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)ccc1[N+](=O)[O-] ZINC000821400379 606444612 /nfs/dbraw/zinc/44/46/12/606444612.db2.gz IQBLDINIRXHPEI-UHFFFAOYSA-N -1 3 387.425 2.380 20 5 GEBDHM CCOc1cc(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC000821400379 606444614 /nfs/dbraw/zinc/44/46/14/606444614.db2.gz IQBLDINIRXHPEI-UHFFFAOYSA-N -1 3 387.425 2.380 20 5 GEBDHM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820926923 606484343 /nfs/dbraw/zinc/48/43/43/606484343.db2.gz XSRLKHYFTPJWHK-HNNXBMFYSA-N -1 3 388.409 2.205 20 5 GEBDHM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820926923 606484345 /nfs/dbraw/zinc/48/43/45/606484345.db2.gz XSRLKHYFTPJWHK-HNNXBMFYSA-N -1 3 388.409 2.205 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822685018 606557651 /nfs/dbraw/zinc/55/76/51/606557651.db2.gz PYCMGCPCTRTANL-UHFFFAOYSA-N -1 3 394.294 2.072 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822685018 606557652 /nfs/dbraw/zinc/55/76/52/606557652.db2.gz PYCMGCPCTRTANL-UHFFFAOYSA-N -1 3 394.294 2.072 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203449 606561078 /nfs/dbraw/zinc/56/10/78/606561078.db2.gz UKPJVRZJWYIDQB-UHFFFAOYSA-N -1 3 387.327 2.458 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203449 606561080 /nfs/dbraw/zinc/56/10/80/606561080.db2.gz UKPJVRZJWYIDQB-UHFFFAOYSA-N -1 3 387.327 2.458 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820507607 606566984 /nfs/dbraw/zinc/56/69/84/606566984.db2.gz IOKOUHOLZACMNA-MRVPVSSYSA-N -1 3 388.365 2.020 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820507607 606566986 /nfs/dbraw/zinc/56/69/86/606566986.db2.gz IOKOUHOLZACMNA-MRVPVSSYSA-N -1 3 388.365 2.020 20 5 GEBDHM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823401130 606569646 /nfs/dbraw/zinc/56/96/46/606569646.db2.gz PRELNUXRWMIJAV-UHFFFAOYSA-N -1 3 375.366 2.462 20 5 GEBDHM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823401130 606569647 /nfs/dbraw/zinc/56/96/47/606569647.db2.gz PRELNUXRWMIJAV-UHFFFAOYSA-N -1 3 375.366 2.462 20 5 GEBDHM CC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915687 606588863 /nfs/dbraw/zinc/58/88/63/606588863.db2.gz WMOAZCLBUZEFRL-INIZCTEOSA-N -1 3 382.380 2.421 20 5 GEBDHM CC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915687 606588865 /nfs/dbraw/zinc/58/88/65/606588865.db2.gz WMOAZCLBUZEFRL-INIZCTEOSA-N -1 3 382.380 2.421 20 5 GEBDHM COc1cc(CC2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821713352 606644189 /nfs/dbraw/zinc/64/41/89/606644189.db2.gz VXURSCXPCAEDSU-UHFFFAOYSA-N -1 3 396.407 2.471 20 5 GEBDHM COc1cc(CC2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821713352 606644190 /nfs/dbraw/zinc/64/41/90/606644190.db2.gz VXURSCXPCAEDSU-UHFFFAOYSA-N -1 3 396.407 2.471 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2ccc(C(F)(F)F)cn2)c(-c2nnn[n-]2)c1 ZINC000823651703 606723855 /nfs/dbraw/zinc/72/38/55/606723855.db2.gz NZPPPDRLIKWYIB-UHFFFAOYSA-N -1 3 396.289 2.075 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2ccc(C(F)(F)F)cn2)c(-c2nn[n-]n2)c1 ZINC000823651703 606723856 /nfs/dbraw/zinc/72/38/56/606723856.db2.gz NZPPPDRLIKWYIB-UHFFFAOYSA-N -1 3 396.289 2.075 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366988 606725291 /nfs/dbraw/zinc/72/52/91/606725291.db2.gz MKYLEEYSEBUIGB-INIZCTEOSA-N -1 3 377.364 2.469 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366988 606725294 /nfs/dbraw/zinc/72/52/94/606725294.db2.gz MKYLEEYSEBUIGB-INIZCTEOSA-N -1 3 377.364 2.469 20 5 GEBDHM COCCOCCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821693151 606858779 /nfs/dbraw/zinc/85/87/79/606858779.db2.gz UJDALGUTFNCSMJ-UHFFFAOYSA-N -1 3 398.423 2.445 20 5 GEBDHM COCCOCCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821693151 606858781 /nfs/dbraw/zinc/85/87/81/606858781.db2.gz UJDALGUTFNCSMJ-UHFFFAOYSA-N -1 3 398.423 2.445 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000823630291 607037765 /nfs/dbraw/zinc/03/77/65/607037765.db2.gz WCSZKIOBLDTFIE-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000822222283 607050990 /nfs/dbraw/zinc/05/09/90/607050990.db2.gz BKFVXCXRLAVLQT-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000822222283 607050992 /nfs/dbraw/zinc/05/09/92/607050992.db2.gz BKFVXCXRLAVLQT-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM CN(CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000821594102 607085572 /nfs/dbraw/zinc/08/55/72/607085572.db2.gz YRDIYBPHUDIUIV-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM CN(CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000821594102 607085575 /nfs/dbraw/zinc/08/55/75/607085575.db2.gz YRDIYBPHUDIUIV-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM O=C1[C@H](Oc2ccc(-c3nnn[n-]3)cc2F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823510903 607135423 /nfs/dbraw/zinc/13/54/23/607135423.db2.gz BZAQFMJWYUADIT-OAHLLOKOSA-N -1 3 384.327 2.098 20 5 GEBDHM O=C1[C@H](Oc2ccc(-c3nn[n-]n3)cc2F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823510903 607135425 /nfs/dbraw/zinc/13/54/25/607135425.db2.gz BZAQFMJWYUADIT-OAHLLOKOSA-N -1 3 384.327 2.098 20 5 GEBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000823619802 607165968 /nfs/dbraw/zinc/16/59/68/607165968.db2.gz BGDBFBDRVGLQLQ-UHFFFAOYSA-N -1 3 398.402 2.021 20 5 GEBDHM CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371422 607798489 /nfs/dbraw/zinc/79/84/89/607798489.db2.gz GLVYIIBJJOQFDX-UHFFFAOYSA-N -1 3 386.343 2.346 20 5 GEBDHM CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371422 607798490 /nfs/dbraw/zinc/79/84/90/607798490.db2.gz GLVYIIBJJOQFDX-UHFFFAOYSA-N -1 3 386.343 2.346 20 5 GEBDHM Cc1cccc(NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)n1 ZINC000826299570 607841334 /nfs/dbraw/zinc/84/13/34/607841334.db2.gz LFRNDYLEYAYDHP-ZDUSSCGKSA-N -1 3 380.412 2.417 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1[N+](=O)[O-] ZINC000826291896 607866868 /nfs/dbraw/zinc/86/68/68/607866868.db2.gz AAXPAKXNFOQEIC-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1[N+](=O)[O-] ZINC000826291896 607866869 /nfs/dbraw/zinc/86/68/69/607866869.db2.gz AAXPAKXNFOQEIC-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC000826292132 607872242 /nfs/dbraw/zinc/87/22/42/607872242.db2.gz JPUUMHZMMFZNTB-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC000826292132 607872243 /nfs/dbraw/zinc/87/22/43/607872243.db2.gz JPUUMHZMMFZNTB-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826499760 607873475 /nfs/dbraw/zinc/87/34/75/607873475.db2.gz WFJWNRHUTVHCTO-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408243 607952065 /nfs/dbraw/zinc/95/20/65/607952065.db2.gz WWZPCPHWDLNHDH-UHFFFAOYSA-N -1 3 379.380 2.166 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408243 607952066 /nfs/dbraw/zinc/95/20/66/607952066.db2.gz WWZPCPHWDLNHDH-UHFFFAOYSA-N -1 3 379.380 2.166 20 5 GEBDHM CCOC(=O)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825517380 607987116 /nfs/dbraw/zinc/98/71/16/607987116.db2.gz BADOYLBBFFTKAI-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM CCOC(=O)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825517380 607987117 /nfs/dbraw/zinc/98/71/17/607987117.db2.gz BADOYLBBFFTKAI-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM Cc1c(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cccc1[N+](=O)[O-] ZINC000826234376 608082910 /nfs/dbraw/zinc/08/29/10/608082910.db2.gz SOHXGPFHEXRXEC-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1c(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826234376 608082911 /nfs/dbraw/zinc/08/29/11/608082911.db2.gz SOHXGPFHEXRXEC-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cccc(-c2nnn[n-]2)c1 ZINC000826415356 608105131 /nfs/dbraw/zinc/10/51/31/608105131.db2.gz BIIPEIMSTQENSY-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cccc(-c2nn[n-]n2)c1 ZINC000826415356 608105132 /nfs/dbraw/zinc/10/51/32/608105132.db2.gz BIIPEIMSTQENSY-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1-c1nnn[n-]1 ZINC000825833670 608160039 /nfs/dbraw/zinc/16/00/39/608160039.db2.gz KCXBCRAGICXTQG-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1-c1nn[n-]n1 ZINC000825833670 608160041 /nfs/dbraw/zinc/16/00/41/608160041.db2.gz KCXBCRAGICXTQG-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM Cn1nc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1C1CC1 ZINC000826366186 608163542 /nfs/dbraw/zinc/16/35/42/608163542.db2.gz WMFWHPXKNJXSOS-UHFFFAOYSA-N -1 3 388.775 2.292 20 5 GEBDHM Cn1nc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1C1CC1 ZINC000826366186 608163544 /nfs/dbraw/zinc/16/35/44/608163544.db2.gz WMFWHPXKNJXSOS-UHFFFAOYSA-N -1 3 388.775 2.292 20 5 GEBDHM O=[N+]([O-])c1cncc(Br)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826500608 608291529 /nfs/dbraw/zinc/29/15/29/608291529.db2.gz FDSFTNAMQYPIGT-UHFFFAOYSA-N -1 3 394.164 2.106 20 5 GEBDHM O=[N+]([O-])c1cncc(Br)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826500608 608291531 /nfs/dbraw/zinc/29/15/31/608291531.db2.gz FDSFTNAMQYPIGT-UHFFFAOYSA-N -1 3 394.164 2.106 20 5 GEBDHM Cc1cc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000826271864 608327356 /nfs/dbraw/zinc/32/73/56/608327356.db2.gz KTXJJCGWKREPPJ-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1cc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000826271864 608327357 /nfs/dbraw/zinc/32/73/57/608327357.db2.gz KTXJJCGWKREPPJ-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826273279 608336951 /nfs/dbraw/zinc/33/69/51/608336951.db2.gz WTPCFWMULMHIRN-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM Cc1nc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ccc1[N+](=O)[O-] ZINC000826327449 608410084 /nfs/dbraw/zinc/41/00/84/608410084.db2.gz IBFDVENEBNTQTL-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cc1nc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1[N+](=O)[O-] ZINC000826327449 608410086 /nfs/dbraw/zinc/41/00/86/608410086.db2.gz IBFDVENEBNTQTL-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cn1c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826355251 608480612 /nfs/dbraw/zinc/48/06/12/608480612.db2.gz QMDCZIKFSDABEH-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM Cn1c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826355251 608480613 /nfs/dbraw/zinc/48/06/13/608480613.db2.gz QMDCZIKFSDABEH-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM O=C(CCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OCc1ccccc1 ZINC000826406138 609391212 /nfs/dbraw/zinc/39/12/12/609391212.db2.gz JUDQAUPDPVKOFH-UHFFFAOYSA-N -1 3 397.395 2.496 20 5 GEBDHM O=C(CCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OCc1ccccc1 ZINC000826406138 609391214 /nfs/dbraw/zinc/39/12/14/609391214.db2.gz JUDQAUPDPVKOFH-UHFFFAOYSA-N -1 3 397.395 2.496 20 5 GEBDHM Cc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cccc1-c1nnn[n-]1 ZINC000826240872 609397411 /nfs/dbraw/zinc/39/74/11/609397411.db2.gz JYZVHAQTSHHPED-INIZCTEOSA-N -1 3 393.363 2.215 20 5 GEBDHM Cc1c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cccc1-c1nn[n-]n1 ZINC000826240872 609397412 /nfs/dbraw/zinc/39/74/12/609397412.db2.gz JYZVHAQTSHHPED-INIZCTEOSA-N -1 3 393.363 2.215 20 5 GEBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824019822 609420919 /nfs/dbraw/zinc/42/09/19/609420919.db2.gz PJLHAFFNSIVROU-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824019822 609420922 /nfs/dbraw/zinc/42/09/22/609420922.db2.gz PJLHAFFNSIVROU-UHFFFAOYSA-N -1 3 393.407 2.304 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826499363 609541718 /nfs/dbraw/zinc/54/17/18/609541718.db2.gz GBJJUDBIAHOJFR-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826499363 609541720 /nfs/dbraw/zinc/54/17/20/609541720.db2.gz GBJJUDBIAHOJFR-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824104600 609604597 /nfs/dbraw/zinc/60/45/97/609604597.db2.gz VISSUGBZMDHXSF-NSHDSACASA-N -1 3 389.416 2.444 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824104600 609604599 /nfs/dbraw/zinc/60/45/99/609604599.db2.gz VISSUGBZMDHXSF-NSHDSACASA-N -1 3 389.416 2.444 20 5 GEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465094 609635720 /nfs/dbraw/zinc/63/57/20/609635720.db2.gz YOPTWJNVLUBSHK-CQSZACIVSA-N -1 3 389.755 2.205 20 5 GEBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465094 609635721 /nfs/dbraw/zinc/63/57/21/609635721.db2.gz YOPTWJNVLUBSHK-CQSZACIVSA-N -1 3 389.755 2.205 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c(F)c1 ZINC000447845360 650009527 /nfs/dbraw/zinc/00/95/27/650009527.db2.gz RJOJTMSKOCTYCX-UHFFFAOYSA-N -1 3 377.300 2.209 20 5 GEBDHM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451840231 650146621 /nfs/dbraw/zinc/14/66/21/650146621.db2.gz PHOVTFVKELLNMI-PWSUYJOCSA-N -1 3 376.818 2.258 20 5 GEBDHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000513059336 650557168 /nfs/dbraw/zinc/55/71/68/650557168.db2.gz RZZOGFBECOITDW-UHFFFAOYSA-N -1 3 395.275 2.434 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1)OCCO2 ZINC000486679155 650718610 /nfs/dbraw/zinc/71/86/10/650718610.db2.gz CPYWRJNBIWGLJC-VIFPVBQESA-N -1 3 378.353 2.222 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c1 ZINC000121287487 643630525 /nfs/dbraw/zinc/63/05/25/643630525.db2.gz PBQJTFCLESYPJH-SKDRFNHKSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249973823 645563239 /nfs/dbraw/zinc/56/32/39/645563239.db2.gz XUTVGSIYFJJWKF-WCQGTBRESA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1NCCc2ccccc21 ZINC000262309037 645625530 /nfs/dbraw/zinc/62/55/30/645625530.db2.gz OUSZNDBOLLNWQE-AWEZNQCLSA-N -1 3 381.841 2.414 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000280402451 646678308 /nfs/dbraw/zinc/67/83/08/646678308.db2.gz AMNHPMXNKXIRBE-SECBINFHSA-N -1 3 378.353 2.095 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)cc1Cl ZINC000281309739 646760603 /nfs/dbraw/zinc/76/06/03/646760603.db2.gz ZVVZISXUCNHXOZ-UHFFFAOYSA-N -1 3 377.825 2.292 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000416476150 648139582 /nfs/dbraw/zinc/13/95/82/648139582.db2.gz XAHGBOXBRMZERN-ONGXEEELSA-N -1 3 382.360 2.443 20 5 GEBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000420759229 648452396 /nfs/dbraw/zinc/45/23/96/648452396.db2.gz HMJIXYDEXGCORB-SNVBAGLBSA-N -1 3 378.834 2.111 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1 ZINC000611022232 651701269 /nfs/dbraw/zinc/70/12/69/651701269.db2.gz OJMFJAFSSAPGNV-UHFFFAOYSA-N -1 3 382.825 2.056 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC1(C)OCCO1 ZINC000741158076 651937901 /nfs/dbraw/zinc/93/79/01/651937901.db2.gz BKCALRNUUNNXBV-SNVBAGLBSA-N -1 3 378.834 2.316 20 5 GEBDHM C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC000742295917 651975770 /nfs/dbraw/zinc/97/57/70/651975770.db2.gz AJMVJWAIQYCBRT-GFCCVEGCSA-N -1 3 379.232 2.062 20 5 GEBDHM COC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nn1 ZINC000619606464 652068496 /nfs/dbraw/zinc/06/84/96/652068496.db2.gz KPVIQVFCIFBAQB-UHFFFAOYSA-N -1 3 387.171 2.248 20 5 GEBDHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000583553181 652489384 /nfs/dbraw/zinc/48/93/84/652489384.db2.gz HWLHHUVYRZRFJN-NOZJJQNGSA-N -1 3 382.360 2.443 20 5 GEBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])n1 ZINC000759497580 652575570 /nfs/dbraw/zinc/57/55/70/652575570.db2.gz RQDUOBWDUCXSBD-UHFFFAOYSA-N -1 3 386.258 2.308 20 5 GEBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000593529175 652624253 /nfs/dbraw/zinc/62/42/53/652624253.db2.gz YKQLDFJZYKVDLR-CQSZACIVSA-N -1 3 384.483 2.413 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCSC(F)(F)F)cc1[N+](=O)[O-] ZINC000777883683 653411024 /nfs/dbraw/zinc/41/10/24/653411024.db2.gz BDPSIEHNZVMHCI-UHFFFAOYSA-N -1 3 378.325 2.274 20 5 GEBDHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779917236 653616331 /nfs/dbraw/zinc/61/63/31/653616331.db2.gz KZNNYUJFUUHRFV-ZETCQYMHSA-N -1 3 386.760 2.032 20 5 GEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814994472 653642380 /nfs/dbraw/zinc/64/23/80/653642380.db2.gz YTCBDUNMQNOIGK-UHFFFAOYSA-N -1 3 376.797 2.261 20 5 GEBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000815079326 653649994 /nfs/dbraw/zinc/64/99/94/653649994.db2.gz PIXJZLYWOUEIEL-NSHDSACASA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000784397522 653692954 /nfs/dbraw/zinc/69/29/54/653692954.db2.gz NCIJVJKANFXBOT-PELKAZGASA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCn2ccnc21 ZINC000841524913 653727224 /nfs/dbraw/zinc/72/72/24/653727224.db2.gz XSRMCUDWFHGQIC-VIFPVBQESA-N -1 3 376.316 2.233 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c1 ZINC000841575892 653737243 /nfs/dbraw/zinc/73/72/43/653737243.db2.gz ZYGHIZUHXBRCCZ-UWVGGRQHSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@]1(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(F)Cl ZINC000845984676 653876734 /nfs/dbraw/zinc/87/67/34/653876734.db2.gz XWOKEKFWPYPNHV-KBPBESRZSA-N -1 3 394.808 2.349 20 5 GEBDHM CN(C)CCCS(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000867405695 653928285 /nfs/dbraw/zinc/92/82/85/653928285.db2.gz NXZXXPBXBUAXIA-GFCCVEGCSA-N -1 3 387.355 2.208 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)OC(C)(C)C ZINC000795204497 653938764 /nfs/dbraw/zinc/93/87/64/653938764.db2.gz KSENZWHYIYDWMP-VIFPVBQESA-N -1 3 393.849 2.440 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826223814 653948230 /nfs/dbraw/zinc/94/82/30/653948230.db2.gz BBBFONWNWTVPJQ-UHFFFAOYSA-N -1 3 385.358 2.171 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826223814 653948231 /nfs/dbraw/zinc/94/82/31/653948231.db2.gz BBBFONWNWTVPJQ-UHFFFAOYSA-N -1 3 385.358 2.171 20 5 GEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826466159 653951416 /nfs/dbraw/zinc/95/14/16/653951416.db2.gz QQRBGHMWGNLVED-UHFFFAOYSA-N -1 3 393.157 2.223 20 5 GEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826466159 653951418 /nfs/dbraw/zinc/95/14/18/653951418.db2.gz QQRBGHMWGNLVED-UHFFFAOYSA-N -1 3 393.157 2.223 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(OC)OC ZINC000849406044 654024887 /nfs/dbraw/zinc/02/48/87/654024887.db2.gz VVXDGXSBBOMMTM-JTQLQIEISA-N -1 3 397.247 2.033 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c1 ZINC000849450111 654038236 /nfs/dbraw/zinc/03/82/36/654038236.db2.gz VQAXCKDZYWMEKG-SECBINFHSA-N -1 3 391.243 2.347 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CCC(O)CC2)c1 ZINC000851821012 654183257 /nfs/dbraw/zinc/18/32/57/654183257.db2.gz NLYFKWIVLSRFRM-UHFFFAOYSA-N -1 3 393.259 2.187 20 5 GEBDHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831877092 654215468 /nfs/dbraw/zinc/21/54/68/654215468.db2.gz AKVMGCSLWFVDIQ-LLVKDONJSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)c1C ZINC000921863266 654335441 /nfs/dbraw/zinc/33/54/41/654335441.db2.gz VXRCAJAZECVHIL-GXFFZTMASA-N -1 3 382.360 2.457 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl)OCCO2 ZINC000856750275 654490782 /nfs/dbraw/zinc/49/07/82/654490782.db2.gz PYUROKMBDJCQTA-QMMMGPOBSA-N -1 3 397.236 2.228 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-n2ccnn2)cc1 ZINC000158122654 531767598 /nfs/dbraw/zinc/76/75/98/531767598.db2.gz PKSCWCZQEQCUID-SNVBAGLBSA-N -1 3 379.423 2.277 20 5 GEBDHM O=C(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)NC1CCCCC1 ZINC000056130371 531809125 /nfs/dbraw/zinc/80/91/25/531809125.db2.gz UILAPDNNROOBII-UHFFFAOYSA-N -1 3 389.861 2.366 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2)cc1C ZINC000057929048 531824528 /nfs/dbraw/zinc/82/45/28/531824528.db2.gz LGBZLPFGWTULDD-LLVKDONJSA-N -1 3 381.376 2.127 20 5 GEBDHM COc1c(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)nn1C ZINC000119264350 531963391 /nfs/dbraw/zinc/96/33/91/531963391.db2.gz ULDBLCNFHFKESL-UHFFFAOYSA-N -1 3 388.833 2.086 20 5 GEBDHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119444842 531967177 /nfs/dbraw/zinc/96/71/77/531967177.db2.gz NSOGSLAKEDHJEA-PELKAZGASA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C2 ZINC000121335939 532023662 /nfs/dbraw/zinc/02/36/62/532023662.db2.gz SNIBSYMEVJQGJE-LLVKDONJSA-N -1 3 384.845 2.355 20 5 GEBDHM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121470132 532030189 /nfs/dbraw/zinc/03/01/89/532030189.db2.gz FOJYYYKTDTZCKG-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000121649459 532040532 /nfs/dbraw/zinc/04/05/32/532040532.db2.gz SPKUTJBDOYTXCR-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122939459 532087350 /nfs/dbraw/zinc/08/73/50/532087350.db2.gz BYQAMKIKKIHJNS-QWRGUYRKSA-N -1 3 391.515 2.131 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000123534470 532101382 /nfs/dbraw/zinc/10/13/82/532101382.db2.gz UKCOVIGBNXAURJ-VIFPVBQESA-N -1 3 387.405 2.127 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ncccc2Cl)cc1[N+](=O)[O-] ZINC000125565128 532138359 /nfs/dbraw/zinc/13/83/59/532138359.db2.gz WDWFPLAUDKEYRK-UHFFFAOYSA-N -1 3 377.831 2.370 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000178727497 532211103 /nfs/dbraw/zinc/21/11/03/532211103.db2.gz VVBIUIMDHANBQD-UHFFFAOYSA-N -1 3 378.332 2.134 20 5 GEBDHM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000132834466 532221657 /nfs/dbraw/zinc/22/16/57/532221657.db2.gz JKYSYQCIGAQEQJ-CHWSQXEVSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)cc1Br ZINC000190649787 532357239 /nfs/dbraw/zinc/35/72/39/532357239.db2.gz YMBQHMSULNPHKG-XWIASGKRSA-N -1 3 391.243 2.203 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000469317013 532501122 /nfs/dbraw/zinc/50/11/22/532501122.db2.gz IHSAWILNBQJTGN-JQWIXIFHSA-N -1 3 388.467 2.334 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)c(C(F)(F)F)c1 ZINC000594862325 532537569 /nfs/dbraw/zinc/53/75/69/532537569.db2.gz BCHJGELMFIVSQO-VXGBXAGGSA-N -1 3 380.344 2.195 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2n[nH]cc2Br)cc1C ZINC000523410521 532525757 /nfs/dbraw/zinc/52/57/57/532525757.db2.gz TZEGHOYPZHUYPO-UHFFFAOYSA-N -1 3 389.231 2.176 20 5 GEBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000564567188 532529585 /nfs/dbraw/zinc/52/95/85/532529585.db2.gz JKNOWTKRZXJBAE-CYBMUJFWSA-N -1 3 384.483 2.413 20 5 GEBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC000594796153 532530683 /nfs/dbraw/zinc/53/06/83/532530683.db2.gz PGWPCYOVOCACGS-VIFPVBQESA-N -1 3 379.232 2.203 20 5 GEBDHM O=C([N-]c1cc(S(=O)(=O)NC2CC2)ccc1O)c1ccc([N+](=O)[O-])s1 ZINC000538884093 532722983 /nfs/dbraw/zinc/72/29/83/532722983.db2.gz SKRISDPFJDURGK-UHFFFAOYSA-N -1 3 383.407 2.055 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2c(=O)[n-]cnc2C1 ZINC000579523657 532741915 /nfs/dbraw/zinc/74/19/15/532741915.db2.gz VNGGUQNEBIPCDO-UHFFFAOYSA-N -1 3 379.170 2.051 20 5 GEBDHM O=C(NCCNc1ncc([N+](=O)[O-])cc1Br)c1ccc([O-])cc1 ZINC000301566241 532754771 /nfs/dbraw/zinc/75/47/71/532754771.db2.gz VPLQBLVBAUVVBD-UHFFFAOYSA-N -1 3 381.186 2.300 20 5 GEBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000269683187 532785532 /nfs/dbraw/zinc/78/55/32/532785532.db2.gz YSWGGMNOIZOVFO-LLVKDONJSA-N -1 3 379.232 2.061 20 5 GEBDHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269702429 532787019 /nfs/dbraw/zinc/78/70/19/532787019.db2.gz LIRWKKGOHXLXQA-SECBINFHSA-N -1 3 381.248 2.043 20 5 GEBDHM CCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)s1 ZINC000327727850 532792448 /nfs/dbraw/zinc/79/24/48/532792448.db2.gz JTGQIMDEABPACF-UHFFFAOYSA-N -1 3 384.435 2.484 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000330432506 532818548 /nfs/dbraw/zinc/81/85/48/532818548.db2.gz KEHXKTQJHIDNLA-QWRGUYRKSA-N -1 3 389.861 2.316 20 5 GEBDHM CCN1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000414369097 532823098 /nfs/dbraw/zinc/82/30/98/532823098.db2.gz HZYIPFWLDHCZKU-UHFFFAOYSA-N -1 3 381.376 2.376 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c1 ZINC000330638838 532823514 /nfs/dbraw/zinc/82/35/14/532823514.db2.gz AQBWHSOUIYMLKO-LLVKDONJSA-N -1 3 379.232 2.205 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ncc(C)s1 ZINC000273538602 532825942 /nfs/dbraw/zinc/82/59/42/532825942.db2.gz LDCQLEFKQPMBGQ-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332591473 532857477 /nfs/dbraw/zinc/85/74/77/532857477.db2.gz KQSACNOCFLUIMK-QWRGUYRKSA-N -1 3 388.467 2.319 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000275030654 532861762 /nfs/dbraw/zinc/86/17/62/532861762.db2.gz ADHGZCIESFOHNT-WDEREUQCSA-N -1 3 376.406 2.226 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000275030645 532861785 /nfs/dbraw/zinc/86/17/85/532861785.db2.gz ADHGZCIESFOHNT-MNOVXSKESA-N -1 3 376.406 2.226 20 5 GEBDHM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416371758 532872503 /nfs/dbraw/zinc/87/25/03/532872503.db2.gz NKESVHUKDLRSGX-SECBINFHSA-N -1 3 378.332 2.177 20 5 GEBDHM CSC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416458416 532877906 /nfs/dbraw/zinc/87/79/06/532877906.db2.gz IXNGVMZBOLSCAL-LLVKDONJSA-N -1 3 388.389 2.006 20 5 GEBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000738294866 598916354 /nfs/dbraw/zinc/91/63/54/598916354.db2.gz FVMKNFIMRDHHDH-OAHLLOKOSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1c1ccccc1 ZINC000738294866 598916357 /nfs/dbraw/zinc/91/63/57/598916357.db2.gz FVMKNFIMRDHHDH-OAHLLOKOSA-N -1 3 379.380 2.382 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000737031692 598939564 /nfs/dbraw/zinc/93/95/64/598939564.db2.gz DRMPHCGVSXTVBG-UHFFFAOYSA-N -1 3 385.336 2.054 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000737031692 598939566 /nfs/dbraw/zinc/93/95/66/598939566.db2.gz DRMPHCGVSXTVBG-UHFFFAOYSA-N -1 3 385.336 2.054 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c([N+](=O)[O-])c1 ZINC000737365762 598950448 /nfs/dbraw/zinc/95/04/48/598950448.db2.gz KQEBHQNXTIRBCS-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c([N+](=O)[O-])c1 ZINC000737365762 598950451 /nfs/dbraw/zinc/95/04/51/598950451.db2.gz KQEBHQNXTIRBCS-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(Oc3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370605 599064467 /nfs/dbraw/zinc/06/44/67/599064467.db2.gz WPUCWQXIRTXSGF-UHFFFAOYSA-N -1 3 385.359 2.357 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CCC(Oc3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370605 599064469 /nfs/dbraw/zinc/06/44/69/599064469.db2.gz WPUCWQXIRTXSGF-UHFFFAOYSA-N -1 3 385.359 2.357 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccn(-c3ccc(F)cc3)n2)c(-c2nnn[n-]2)c1 ZINC000823651939 599068972 /nfs/dbraw/zinc/06/89/72/599068972.db2.gz SFBLUSCPERVARB-UHFFFAOYSA-N -1 3 395.358 2.149 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccn(-c3ccc(F)cc3)n2)c(-c2nn[n-]n2)c1 ZINC000823651939 599068975 /nfs/dbraw/zinc/06/89/75/599068975.db2.gz SFBLUSCPERVARB-UHFFFAOYSA-N -1 3 395.358 2.149 20 5 GEBDHM C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820327036 599139316 /nfs/dbraw/zinc/13/93/16/599139316.db2.gz DKHMVBLQHHDIAY-GFCCVEGCSA-N -1 3 381.396 2.089 20 5 GEBDHM C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820327036 599139318 /nfs/dbraw/zinc/13/93/18/599139318.db2.gz DKHMVBLQHHDIAY-GFCCVEGCSA-N -1 3 381.396 2.089 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738088822 599216737 /nfs/dbraw/zinc/21/67/37/599216737.db2.gz LGZXWLULCARCES-UHFFFAOYSA-N -1 3 394.347 2.330 20 5 GEBDHM COc1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)ccn1 ZINC000737047890 599264804 /nfs/dbraw/zinc/26/48/04/599264804.db2.gz UBGZTTAGZMAPTE-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM COc1cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)ccn1 ZINC000737047890 599264805 /nfs/dbraw/zinc/26/48/05/599264805.db2.gz UBGZTTAGZMAPTE-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM NC(=O)c1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737760827 599268577 /nfs/dbraw/zinc/26/85/77/599268577.db2.gz MDKGUAKDKUGFDE-UHFFFAOYSA-N -1 3 390.363 2.034 20 5 GEBDHM NC(=O)c1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737760827 599268578 /nfs/dbraw/zinc/26/85/78/599268578.db2.gz MDKGUAKDKUGFDE-UHFFFAOYSA-N -1 3 390.363 2.034 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366990 599273886 /nfs/dbraw/zinc/27/38/86/599273886.db2.gz MKYLEEYSEBUIGB-MRXNPFEDSA-N -1 3 377.364 2.469 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366990 599273888 /nfs/dbraw/zinc/27/38/88/599273888.db2.gz MKYLEEYSEBUIGB-MRXNPFEDSA-N -1 3 377.364 2.469 20 5 GEBDHM O=C(CC1CCCCC1)N1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737815571 598245749 /nfs/dbraw/zinc/24/57/49/598245749.db2.gz YAIRRVXIJIKBFE-UHFFFAOYSA-N -1 3 399.455 2.394 20 5 GEBDHM O=C(CC1CCCCC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737815571 598245750 /nfs/dbraw/zinc/24/57/50/598245750.db2.gz YAIRRVXIJIKBFE-UHFFFAOYSA-N -1 3 399.455 2.394 20 5 GEBDHM O=[N+]([O-])c1cc(N2CCC(OC[C@H]3CCCCO3)CC2)ccc1-c1nnn[n-]1 ZINC000823634685 607348376 /nfs/dbraw/zinc/34/83/76/607348376.db2.gz JWMSMXZPLJTNCZ-OAHLLOKOSA-N -1 3 388.428 2.329 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738100999 598299742 /nfs/dbraw/zinc/29/97/42/598299742.db2.gz CKVLPEWZWCYMLB-UHFFFAOYSA-N -1 3 378.270 2.122 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738100999 598299744 /nfs/dbraw/zinc/29/97/44/598299744.db2.gz CKVLPEWZWCYMLB-UHFFFAOYSA-N -1 3 378.270 2.122 20 5 GEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737842695 598309187 /nfs/dbraw/zinc/30/91/87/598309187.db2.gz UXXIQCYJPJQCII-UHFFFAOYSA-N -1 3 399.386 2.423 20 5 GEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737842695 598309188 /nfs/dbraw/zinc/30/91/88/598309188.db2.gz UXXIQCYJPJQCII-UHFFFAOYSA-N -1 3 399.386 2.423 20 5 GEBDHM Cc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737331147 598380664 /nfs/dbraw/zinc/38/06/64/598380664.db2.gz UVMOBNKQHAHPJG-ZSOIEALJSA-N -1 3 376.332 2.428 20 5 GEBDHM Cc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000737331147 598380666 /nfs/dbraw/zinc/38/06/66/598380666.db2.gz UVMOBNKQHAHPJG-ZSOIEALJSA-N -1 3 376.332 2.428 20 5 GEBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736894842 598427561 /nfs/dbraw/zinc/42/75/61/598427561.db2.gz WFTBTMWZCCBSMM-HNNXBMFYSA-N -1 3 382.380 2.452 20 5 GEBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736894842 598427563 /nfs/dbraw/zinc/42/75/63/598427563.db2.gz WFTBTMWZCCBSMM-HNNXBMFYSA-N -1 3 382.380 2.452 20 5 GEBDHM COc1ccc(COCCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737098221 598456633 /nfs/dbraw/zinc/45/66/33/598456633.db2.gz RIWHEKDBTNSIJR-UHFFFAOYSA-N -1 3 385.384 2.197 20 5 GEBDHM COc1ccc(COCCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737098221 598456636 /nfs/dbraw/zinc/45/66/36/598456636.db2.gz RIWHEKDBTNSIJR-UHFFFAOYSA-N -1 3 385.384 2.197 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000735652174 598499820 /nfs/dbraw/zinc/49/98/20/598499820.db2.gz DCHBQNIEDGCGQC-SNVBAGLBSA-N -1 3 383.416 2.091 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000735652174 598499821 /nfs/dbraw/zinc/49/98/21/598499821.db2.gz DCHBQNIEDGCGQC-SNVBAGLBSA-N -1 3 383.416 2.091 20 5 GEBDHM CCOC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000736590093 598500507 /nfs/dbraw/zinc/50/05/07/598500507.db2.gz FAPAVAUSXBRTJE-ZDUSSCGKSA-N -1 3 397.395 2.004 20 5 GEBDHM CCOC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000736590093 598500508 /nfs/dbraw/zinc/50/05/08/598500508.db2.gz FAPAVAUSXBRTJE-ZDUSSCGKSA-N -1 3 397.395 2.004 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000738358191 598507984 /nfs/dbraw/zinc/50/79/84/598507984.db2.gz AQNPNEDHTXMUPI-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738358191 598507986 /nfs/dbraw/zinc/50/79/86/598507986.db2.gz AQNPNEDHTXMUPI-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738191931 598573924 /nfs/dbraw/zinc/57/39/24/598573924.db2.gz OEISQNGABXXZSY-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738191931 598573925 /nfs/dbraw/zinc/57/39/25/598573925.db2.gz OEISQNGABXXZSY-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000736817750 598580260 /nfs/dbraw/zinc/58/02/60/598580260.db2.gz ISHGGDXQNPXZLP-KRWDZBQOSA-N -1 3 393.407 2.012 20 5 GEBDHM COc1cccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737140951 598602030 /nfs/dbraw/zinc/60/20/30/598602030.db2.gz UJEPFPQMVQSDSQ-LBPRGKRZSA-N -1 3 381.396 2.474 20 5 GEBDHM COc1cccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737140951 598602032 /nfs/dbraw/zinc/60/20/32/598602032.db2.gz UJEPFPQMVQSDSQ-LBPRGKRZSA-N -1 3 381.396 2.474 20 5 GEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000736137752 598612527 /nfs/dbraw/zinc/61/25/27/598612527.db2.gz MCDAHVJJFYQHBE-JTQLQIEISA-N -1 3 379.380 2.467 20 5 GEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000736137752 598612529 /nfs/dbraw/zinc/61/25/29/598612529.db2.gz MCDAHVJJFYQHBE-JTQLQIEISA-N -1 3 379.380 2.467 20 5 GEBDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737983567 598803802 /nfs/dbraw/zinc/80/38/02/598803802.db2.gz XSJZXOUWMQVAGG-UHFFFAOYSA-N -1 3 397.398 2.369 20 5 GEBDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737983567 598803804 /nfs/dbraw/zinc/80/38/04/598803804.db2.gz XSJZXOUWMQVAGG-UHFFFAOYSA-N -1 3 397.398 2.369 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000738152049 598806657 /nfs/dbraw/zinc/80/66/57/598806657.db2.gz QHTGFLYHQBYAOU-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000738152049 598806658 /nfs/dbraw/zinc/80/66/58/598806658.db2.gz QHTGFLYHQBYAOU-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505783 599311609 /nfs/dbraw/zinc/31/16/09/599311609.db2.gz NAHMPAXXHLYEIB-UHFFFAOYSA-N -1 3 396.363 2.228 20 5 GEBDHM CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505783 599311611 /nfs/dbraw/zinc/31/16/11/599311611.db2.gz NAHMPAXXHLYEIB-UHFFFAOYSA-N -1 3 396.363 2.228 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823640091 599360999 /nfs/dbraw/zinc/36/09/99/599360999.db2.gz SAFAIMYWZIICCS-UHFFFAOYSA-N -1 3 389.379 2.054 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823640091 599361003 /nfs/dbraw/zinc/36/10/03/599361003.db2.gz SAFAIMYWZIICCS-UHFFFAOYSA-N -1 3 389.379 2.054 20 5 GEBDHM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826416189 607378887 /nfs/dbraw/zinc/37/88/87/607378887.db2.gz MPMSDGYQNUTYMA-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826416189 607378889 /nfs/dbraw/zinc/37/88/89/607378889.db2.gz MPMSDGYQNUTYMA-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000823238277 599491062 /nfs/dbraw/zinc/49/10/62/599491062.db2.gz LBCSDFIPMHKGDH-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000823238277 599491065 /nfs/dbraw/zinc/49/10/65/599491065.db2.gz LBCSDFIPMHKGDH-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327606 599523565 /nfs/dbraw/zinc/52/35/65/599523565.db2.gz HSWGFHNLGNWLKD-JTQLQIEISA-N -1 3 386.343 2.170 20 5 GEBDHM C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327606 599523568 /nfs/dbraw/zinc/52/35/68/599523568.db2.gz HSWGFHNLGNWLKD-JTQLQIEISA-N -1 3 386.343 2.170 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCNc1nccc(C(F)(F)F)n1 ZINC000738357122 599529176 /nfs/dbraw/zinc/52/91/76/599529176.db2.gz BZACJVGGAPXZIJ-UHFFFAOYSA-N -1 3 395.305 2.108 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCNc1nccc(C(F)(F)F)n1 ZINC000738357122 599529178 /nfs/dbraw/zinc/52/91/78/599529178.db2.gz BZACJVGGAPXZIJ-UHFFFAOYSA-N -1 3 395.305 2.108 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2nccc(C(F)(F)F)n2)c(-c2nnn[n-]2)c1 ZINC000738369662 599529488 /nfs/dbraw/zinc/52/94/88/599529488.db2.gz LKZSRJGPVGKFQG-UHFFFAOYSA-N -1 3 395.305 2.108 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCNc2nccc(C(F)(F)F)n2)c(-c2nn[n-]n2)c1 ZINC000738369662 599529490 /nfs/dbraw/zinc/52/94/90/599529490.db2.gz LKZSRJGPVGKFQG-UHFFFAOYSA-N -1 3 395.305 2.108 20 5 GEBDHM O=[N+]([O-])c1ccc(OCCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000823644126 599548625 /nfs/dbraw/zinc/54/86/25/599548625.db2.gz GCIWIWSBPNUGNL-UHFFFAOYSA-N -1 3 377.364 2.236 20 5 GEBDHM O=[N+]([O-])c1ccc(OCCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000823644126 599548630 /nfs/dbraw/zinc/54/86/30/599548630.db2.gz GCIWIWSBPNUGNL-UHFFFAOYSA-N -1 3 377.364 2.236 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822130780 599553255 /nfs/dbraw/zinc/55/32/55/599553255.db2.gz YKVPHWBOGCYFPP-JTQLQIEISA-N -1 3 397.351 2.483 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822130780 599553257 /nfs/dbraw/zinc/55/32/57/599553257.db2.gz YKVPHWBOGCYFPP-JTQLQIEISA-N -1 3 397.351 2.483 20 5 GEBDHM CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821579674 599585256 /nfs/dbraw/zinc/58/52/56/599585256.db2.gz KFQRINFOFSUPDW-UHFFFAOYSA-N -1 3 381.396 2.131 20 5 GEBDHM CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821579674 599585259 /nfs/dbraw/zinc/58/52/59/599585259.db2.gz KFQRINFOFSUPDW-UHFFFAOYSA-N -1 3 381.396 2.131 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000823445150 599649124 /nfs/dbraw/zinc/64/91/24/599649124.db2.gz UPUOCINFAHGFLP-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000823445150 599649125 /nfs/dbraw/zinc/64/91/25/599649125.db2.gz UPUOCINFAHGFLP-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000821648236 599667262 /nfs/dbraw/zinc/66/72/62/599667262.db2.gz FESICYNUFZPVKI-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000821648236 599667263 /nfs/dbraw/zinc/66/72/63/599667263.db2.gz FESICYNUFZPVKI-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000826254190 607408669 /nfs/dbraw/zinc/40/86/69/607408669.db2.gz ZDJKUEODRYMQCG-UHFFFAOYSA-N -1 3 397.347 2.212 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000826254190 607408672 /nfs/dbraw/zinc/40/86/72/607408672.db2.gz ZDJKUEODRYMQCG-UHFFFAOYSA-N -1 3 397.347 2.212 20 5 GEBDHM CNc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1[N+](=O)[O-] ZINC000821637839 607408946 /nfs/dbraw/zinc/40/89/46/607408946.db2.gz VVRSNVHIJAITAT-UHFFFAOYSA-N -1 3 384.352 2.182 20 5 GEBDHM CNc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821637839 607408947 /nfs/dbraw/zinc/40/89/47/607408947.db2.gz VVRSNVHIJAITAT-UHFFFAOYSA-N -1 3 384.352 2.182 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821740748 607419428 /nfs/dbraw/zinc/41/94/28/607419428.db2.gz BWJIWRFUXBUHFQ-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821740748 607419429 /nfs/dbraw/zinc/41/94/29/607419429.db2.gz BWJIWRFUXBUHFQ-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000825615827 607436381 /nfs/dbraw/zinc/43/63/81/607436381.db2.gz MHNMNPAJNICULN-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000825615827 607436383 /nfs/dbraw/zinc/43/63/83/607436383.db2.gz MHNMNPAJNICULN-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000824976842 607450176 /nfs/dbraw/zinc/45/01/76/607450176.db2.gz PBQCVWVXFZUTDL-RYUDHWBXSA-N -1 3 375.433 2.075 20 5 GEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823547662 607455299 /nfs/dbraw/zinc/45/52/99/607455299.db2.gz MQVJSGVUVSQKJY-ZSOIEALJSA-N -1 3 380.295 2.259 20 5 GEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823547662 607455301 /nfs/dbraw/zinc/45/53/01/607455301.db2.gz MQVJSGVUVSQKJY-ZSOIEALJSA-N -1 3 380.295 2.259 20 5 GEBDHM Nc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000833090305 601778140 /nfs/dbraw/zinc/77/81/40/601778140.db2.gz HTBBJLMTVHJHPH-FQEVSTJZSA-N -1 3 398.419 2.026 20 5 GEBDHM CC[C@@H]1CN(CCn2cccn2)CCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000829149481 602317298 /nfs/dbraw/zinc/31/72/98/602317298.db2.gz HXTBDMIFRDGIMQ-OAHLLOKOSA-N -1 3 387.440 2.399 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826212027 607597845 /nfs/dbraw/zinc/59/78/45/607597845.db2.gz DKHQSVKZWCZKJB-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212027 607597846 /nfs/dbraw/zinc/59/78/46/607597846.db2.gz DKHQSVKZWCZKJB-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826212048 607615625 /nfs/dbraw/zinc/61/56/25/607615625.db2.gz DWMFMIYUKGOHHP-UHFFFAOYSA-N -1 3 399.367 2.114 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212048 607615626 /nfs/dbraw/zinc/61/56/26/607615626.db2.gz DWMFMIYUKGOHHP-UHFFFAOYSA-N -1 3 399.367 2.114 20 5 GEBDHM COC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Br ZINC000444428081 649948812 /nfs/dbraw/zinc/94/88/12/649948812.db2.gz AESDQZUANWAOGR-UHFFFAOYSA-N -1 3 396.153 2.497 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Oc3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000826500881 607737808 /nfs/dbraw/zinc/73/78/08/607737808.db2.gz PWPULKJEEYQSOM-NSHDSACASA-N -1 3 387.787 2.481 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Oc3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000826500881 607737809 /nfs/dbraw/zinc/73/78/09/607737809.db2.gz PWPULKJEEYQSOM-NSHDSACASA-N -1 3 387.787 2.481 20 5 GEBDHM C[C@@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000833406401 605381166 /nfs/dbraw/zinc/38/11/66/605381166.db2.gz DLHBFIDAMMHHFH-DYVFJYSZSA-N -1 3 392.433 2.420 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc2ncccc2c1 ZINC000823629624 606143922 /nfs/dbraw/zinc/14/39/22/606143922.db2.gz CGOAMQHIWUTPBK-UHFFFAOYSA-N -1 3 398.360 2.091 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc2ncccc2c1 ZINC000823629624 606143924 /nfs/dbraw/zinc/14/39/24/606143924.db2.gz CGOAMQHIWUTPBK-UHFFFAOYSA-N -1 3 398.360 2.091 20 5 GEBDHM O=C1[C@@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511658 606244219 /nfs/dbraw/zinc/24/42/19/606244219.db2.gz HVVGPJQJTIDRLQ-NSHDSACASA-N -1 3 389.372 2.193 20 5 GEBDHM O=C1[C@@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511658 606244220 /nfs/dbraw/zinc/24/42/20/606244220.db2.gz HVVGPJQJTIDRLQ-NSHDSACASA-N -1 3 389.372 2.193 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000822212771 606331655 /nfs/dbraw/zinc/33/16/55/606331655.db2.gz GVPPNXXSDSJLDW-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000822212771 606331656 /nfs/dbraw/zinc/33/16/56/606331656.db2.gz GVPPNXXSDSJLDW-UHFFFAOYSA-N -1 3 393.356 2.299 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212811 606331781 /nfs/dbraw/zinc/33/17/81/606331781.db2.gz IFUYRSQSNCOHRF-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212811 606331783 /nfs/dbraw/zinc/33/17/83/606331783.db2.gz IFUYRSQSNCOHRF-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000823643802 606379344 /nfs/dbraw/zinc/37/93/44/606379344.db2.gz BMGOCNCGMSZWCD-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000823643802 606379346 /nfs/dbraw/zinc/37/93/46/606379346.db2.gz BMGOCNCGMSZWCD-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CN(C(=O)COc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570788 606415018 /nfs/dbraw/zinc/41/50/18/606415018.db2.gz LEZCZCPKLAVPLC-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM CN(C(=O)COc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570788 606415019 /nfs/dbraw/zinc/41/50/19/606415019.db2.gz LEZCZCPKLAVPLC-UHFFFAOYSA-N -1 3 388.771 2.470 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821571686 606479354 /nfs/dbraw/zinc/47/93/54/606479354.db2.gz AJTIOBNFYOCMBU-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821571686 606479356 /nfs/dbraw/zinc/47/93/56/606479356.db2.gz AJTIOBNFYOCMBU-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821572073 606479381 /nfs/dbraw/zinc/47/93/81/606479381.db2.gz QGHVQVLPOWIHOE-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821572073 606479383 /nfs/dbraw/zinc/47/93/83/606479383.db2.gz QGHVQVLPOWIHOE-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820926926 606484326 /nfs/dbraw/zinc/48/43/26/606484326.db2.gz XSRLKHYFTPJWHK-OAHLLOKOSA-N -1 3 388.409 2.205 20 5 GEBDHM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820926926 606484328 /nfs/dbraw/zinc/48/43/28/606484328.db2.gz XSRLKHYFTPJWHK-OAHLLOKOSA-N -1 3 388.409 2.205 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000822983153 606753998 /nfs/dbraw/zinc/75/39/98/606753998.db2.gz LOZLNMITKHBBEY-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000822983153 606753999 /nfs/dbraw/zinc/75/39/99/606753999.db2.gz LOZLNMITKHBBEY-UHFFFAOYSA-N -1 3 383.364 2.330 20 5 GEBDHM O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823664723 606851437 /nfs/dbraw/zinc/85/14/37/606851437.db2.gz CZEJNRGYGJRAFJ-LJQANCHMSA-N -1 3 384.399 2.463 20 5 GEBDHM O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823664723 606851439 /nfs/dbraw/zinc/85/14/39/606851439.db2.gz CZEJNRGYGJRAFJ-LJQANCHMSA-N -1 3 384.399 2.463 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000823630001 606877109 /nfs/dbraw/zinc/87/71/09/606877109.db2.gz PDRRYXLTSJESGF-QAPCUYQASA-N -1 3 396.407 2.104 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000823630001 606877110 /nfs/dbraw/zinc/87/71/10/606877110.db2.gz PDRRYXLTSJESGF-QAPCUYQASA-N -1 3 396.407 2.104 20 5 GEBDHM CCc1nnc(NCCOc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1CC ZINC000821542394 606933961 /nfs/dbraw/zinc/93/39/61/606933961.db2.gz QOFIJTWODIMCOU-UHFFFAOYSA-N -1 3 384.400 2.181 20 5 GEBDHM CCc1nnc(NCCOc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1CC ZINC000821542394 606933963 /nfs/dbraw/zinc/93/39/63/606933963.db2.gz QOFIJTWODIMCOU-UHFFFAOYSA-N -1 3 384.400 2.181 20 5 GEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823049285 606945972 /nfs/dbraw/zinc/94/59/72/606945972.db2.gz ALEVPMNLXNHXOP-UHFFFAOYSA-N -1 3 399.363 2.166 20 5 GEBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823049285 606945973 /nfs/dbraw/zinc/94/59/73/606945973.db2.gz ALEVPMNLXNHXOP-UHFFFAOYSA-N -1 3 399.363 2.166 20 5 GEBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000822203353 607018737 /nfs/dbraw/zinc/01/87/37/607018737.db2.gz PQTAKRPWDDRIBV-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000822203353 607018739 /nfs/dbraw/zinc/01/87/39/607018739.db2.gz PQTAKRPWDDRIBV-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000822221618 607030053 /nfs/dbraw/zinc/03/00/53/607030053.db2.gz XENCXIDZIOTWPK-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000822221618 607030055 /nfs/dbraw/zinc/03/00/55/607030055.db2.gz XENCXIDZIOTWPK-UHFFFAOYSA-N -1 3 380.364 2.051 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000822222514 607049139 /nfs/dbraw/zinc/04/91/39/607049139.db2.gz JVAVPYQFLXEIMR-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000822222514 607049140 /nfs/dbraw/zinc/04/91/40/607049140.db2.gz JVAVPYQFLXEIMR-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000823014164 607125249 /nfs/dbraw/zinc/12/52/49/607125249.db2.gz IQLCZAYAKQNVPP-UHFFFAOYSA-N -1 3 399.798 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823639975 607143383 /nfs/dbraw/zinc/14/33/83/607143383.db2.gz NXSRELGGNQYVRM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823639975 607143384 /nfs/dbraw/zinc/14/33/84/607143384.db2.gz NXSRELGGNQYVRM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825833945 607790252 /nfs/dbraw/zinc/79/02/52/607790252.db2.gz OXGSWUPZOWQSKX-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825833945 607790253 /nfs/dbraw/zinc/79/02/53/607790253.db2.gz OXGSWUPZOWQSKX-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM COc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000826177119 607790273 /nfs/dbraw/zinc/79/02/73/607790273.db2.gz SCNBRADVRHRBCB-UHFFFAOYSA-N -1 3 384.352 2.069 20 5 GEBDHM COc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000826177119 607790274 /nfs/dbraw/zinc/79/02/74/607790274.db2.gz SCNBRADVRHRBCB-UHFFFAOYSA-N -1 3 384.352 2.069 20 5 GEBDHM CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999379 607846941 /nfs/dbraw/zinc/84/69/41/607846941.db2.gz YZXPOYNVGPGDLW-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM Cc1cccc(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826304758 607867062 /nfs/dbraw/zinc/86/70/62/607867062.db2.gz WZYOUUBZWFTKJB-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cccc(C)c1OC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826296606 607869513 /nfs/dbraw/zinc/86/95/13/607869513.db2.gz CEIPVQKPXOOOPH-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cccc(C)c1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826296606 607869514 /nfs/dbraw/zinc/86/95/14/607869514.db2.gz CEIPVQKPXOOOPH-CQSZACIVSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(C)c1 ZINC000826292219 607876541 /nfs/dbraw/zinc/87/65/41/607876541.db2.gz LUJNAZJZLKOWJY-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(C)c1 ZINC000826292219 607876542 /nfs/dbraw/zinc/87/65/42/607876542.db2.gz LUJNAZJZLKOWJY-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000826499231 607876696 /nfs/dbraw/zinc/87/66/96/607876696.db2.gz AFFQZTCKTGDHSW-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000826499231 607876697 /nfs/dbraw/zinc/87/66/97/607876697.db2.gz AFFQZTCKTGDHSW-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826407913 607949654 /nfs/dbraw/zinc/94/96/54/607949654.db2.gz HSHCEDOMRNIBMV-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826407913 607949655 /nfs/dbraw/zinc/94/96/55/607949655.db2.gz HSHCEDOMRNIBMV-UHFFFAOYSA-N -1 3 380.364 2.133 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826441633 607958833 /nfs/dbraw/zinc/95/88/33/607958833.db2.gz NISQQGOYNYFHJR-UHFFFAOYSA-N -1 3 397.370 2.182 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826441633 607958834 /nfs/dbraw/zinc/95/88/34/607958834.db2.gz NISQQGOYNYFHJR-UHFFFAOYSA-N -1 3 397.370 2.182 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000826242751 607961832 /nfs/dbraw/zinc/96/18/32/607961832.db2.gz DRJLNINCEKGDPY-UHFFFAOYSA-N -1 3 395.335 2.194 20 5 GEBDHM Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000826242751 607961833 /nfs/dbraw/zinc/96/18/33/607961833.db2.gz DRJLNINCEKGDPY-UHFFFAOYSA-N -1 3 395.335 2.194 20 5 GEBDHM Cn1cc(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000826356600 607966804 /nfs/dbraw/zinc/96/68/04/607966804.db2.gz XWHRGKQCDUNHGK-UHFFFAOYSA-N -1 3 377.368 2.183 20 5 GEBDHM Cn1cc(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000826356600 607966805 /nfs/dbraw/zinc/96/68/05/607966805.db2.gz XWHRGKQCDUNHGK-UHFFFAOYSA-N -1 3 377.368 2.183 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826497352 607970014 /nfs/dbraw/zinc/97/00/14/607970014.db2.gz DOECFKLWDQKVCZ-NHYWBVRUSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826497352 607970015 /nfs/dbraw/zinc/97/00/15/607970015.db2.gz DOECFKLWDQKVCZ-NHYWBVRUSA-N -1 3 388.334 2.365 20 5 GEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826439871 607996471 /nfs/dbraw/zinc/99/64/71/607996471.db2.gz OJJHBPYVBIIUEZ-UHFFFAOYSA-N -1 3 393.407 2.306 20 5 GEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826439871 607996472 /nfs/dbraw/zinc/99/64/72/607996472.db2.gz OJJHBPYVBIIUEZ-UHFFFAOYSA-N -1 3 393.407 2.306 20 5 GEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824433655 608016908 /nfs/dbraw/zinc/01/69/08/608016908.db2.gz GOCUYWRNXNGBCM-JTQLQIEISA-N -1 3 393.367 2.436 20 5 GEBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824433655 608016909 /nfs/dbraw/zinc/01/69/09/608016909.db2.gz GOCUYWRNXNGBCM-JTQLQIEISA-N -1 3 393.367 2.436 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826293670 608086372 /nfs/dbraw/zinc/08/63/72/608086372.db2.gz XSWTZDCBLZGEQM-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826293670 608086373 /nfs/dbraw/zinc/08/63/73/608086373.db2.gz XSWTZDCBLZGEQM-QGZVFWFLSA-N -1 3 394.391 2.297 20 5 GEBDHM CC(C)(C)OC(=O)N1CC(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824103689 608098231 /nfs/dbraw/zinc/09/82/31/608098231.db2.gz HGKGZRJZAQXAHC-UHFFFAOYSA-N -1 3 375.389 2.054 20 5 GEBDHM CC(C)(C)OC(=O)N1CC(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824103689 608098232 /nfs/dbraw/zinc/09/82/32/608098232.db2.gz HGKGZRJZAQXAHC-UHFFFAOYSA-N -1 3 375.389 2.054 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000826161939 608138442 /nfs/dbraw/zinc/13/84/42/608138442.db2.gz GMWVBXDAQMMRPJ-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000826161939 608138443 /nfs/dbraw/zinc/13/84/43/608138443.db2.gz GMWVBXDAQMMRPJ-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826438602 608158060 /nfs/dbraw/zinc/15/80/60/608158060.db2.gz JLKPBCVVBBUYDQ-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM COc1cc(CCNc2nc(C)ccc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000826179056 608270588 /nfs/dbraw/zinc/27/05/88/608270588.db2.gz XIVXFTIYHMUPCF-UHFFFAOYSA-N -1 3 385.384 2.150 20 5 GEBDHM COc1cc(CCNc2nc(C)ccc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000826179056 608270589 /nfs/dbraw/zinc/27/05/89/608270589.db2.gz XIVXFTIYHMUPCF-UHFFFAOYSA-N -1 3 385.384 2.150 20 5 GEBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Cn1ccnc1 ZINC000824426504 608368904 /nfs/dbraw/zinc/36/89/04/608368904.db2.gz GQEAYGVLEFEDBV-NSHDSACASA-N -1 3 379.384 2.268 20 5 GEBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)Cn1ccnc1 ZINC000824426504 608368906 /nfs/dbraw/zinc/36/89/06/608368906.db2.gz GQEAYGVLEFEDBV-NSHDSACASA-N -1 3 379.384 2.268 20 5 GEBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824529285 608391617 /nfs/dbraw/zinc/39/16/17/608391617.db2.gz FYMXICMEYBCXHC-NWDGAFQWSA-N -1 3 381.396 2.453 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000824744845 608433602 /nfs/dbraw/zinc/43/36/02/608433602.db2.gz HEPLNWCAOJNJGH-VXGBXAGGSA-N -1 3 382.380 2.420 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000824744845 608433603 /nfs/dbraw/zinc/43/36/03/608433603.db2.gz HEPLNWCAOJNJGH-VXGBXAGGSA-N -1 3 382.380 2.420 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826408155 608441975 /nfs/dbraw/zinc/44/19/75/608441975.db2.gz RTGKCUFFVOWMBM-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826408155 608441976 /nfs/dbraw/zinc/44/19/76/608441976.db2.gz RTGKCUFFVOWMBM-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825976569 608524672 /nfs/dbraw/zinc/52/46/72/608524672.db2.gz LTNZKVWXJYXEGF-UHFFFAOYSA-N -1 3 382.380 2.178 20 5 GEBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826438151 608573960 /nfs/dbraw/zinc/57/39/60/608573960.db2.gz PIDDASBGBHAURH-UHFFFAOYSA-N -1 3 387.787 2.270 20 5 GEBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826438151 608573961 /nfs/dbraw/zinc/57/39/61/608573961.db2.gz PIDDASBGBHAURH-UHFFFAOYSA-N -1 3 387.787 2.270 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)c1 ZINC000826499246 608646198 /nfs/dbraw/zinc/64/61/98/608646198.db2.gz AXJFHKKTAUVSNH-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)c1 ZINC000826499246 608646200 /nfs/dbraw/zinc/64/62/00/608646200.db2.gz AXJFHKKTAUVSNH-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM COCCn1cc2c(n1)[C@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CCC2 ZINC000826164020 609149944 /nfs/dbraw/zinc/14/99/44/609149944.db2.gz VRAQVKFQUSXLDR-CQSZACIVSA-N -1 3 384.400 2.107 20 5 GEBDHM COCCn1cc2c(n1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CCC2 ZINC000826164020 609149945 /nfs/dbraw/zinc/14/99/45/609149945.db2.gz VRAQVKFQUSXLDR-CQSZACIVSA-N -1 3 384.400 2.107 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826364503 609172527 /nfs/dbraw/zinc/17/25/27/609172527.db2.gz YHVAHQDWQPQASR-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826364503 609172529 /nfs/dbraw/zinc/17/25/29/609172529.db2.gz YHVAHQDWQPQASR-KRWDZBQOSA-N -1 3 390.407 2.388 20 5 GEBDHM CC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134612 609244583 /nfs/dbraw/zinc/24/45/83/609244583.db2.gz VNVBKAWMJJAYOH-HOTGVXAUSA-N -1 3 382.380 2.076 20 5 GEBDHM CC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825134612 609244584 /nfs/dbraw/zinc/24/45/84/609244584.db2.gz VNVBKAWMJJAYOH-HOTGVXAUSA-N -1 3 382.380 2.076 20 5 GEBDHM Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826296040 609283204 /nfs/dbraw/zinc/28/32/04/609283204.db2.gz HOJVBFNIUBGHCF-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826296040 609283205 /nfs/dbraw/zinc/28/32/05/609283205.db2.gz HOJVBFNIUBGHCF-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3nnn[n-]3)cc2Br)c1=O ZINC000826272672 609311354 /nfs/dbraw/zinc/31/13/54/609311354.db2.gz WCHGCFWDTPMSHR-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3nn[n-]n3)cc2Br)c1=O ZINC000826272672 609311356 /nfs/dbraw/zinc/31/13/56/609311356.db2.gz WCHGCFWDTPMSHR-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)c1ccc([N+](=O)[O-])o1 ZINC000826465131 609338040 /nfs/dbraw/zinc/33/80/40/609338040.db2.gz ZWLKQNDIZVWPHL-UHFFFAOYSA-N -1 3 394.141 2.487 20 5 GEBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)c1ccc([N+](=O)[O-])o1 ZINC000826465131 609338042 /nfs/dbraw/zinc/33/80/42/609338042.db2.gz ZWLKQNDIZVWPHL-UHFFFAOYSA-N -1 3 394.141 2.487 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826453112 609384013 /nfs/dbraw/zinc/38/40/13/609384013.db2.gz WDZXJNVSLDNTLA-UHFFFAOYSA-N -1 3 377.267 2.024 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826453112 609384016 /nfs/dbraw/zinc/38/40/16/609384016.db2.gz WDZXJNVSLDNTLA-UHFFFAOYSA-N -1 3 377.267 2.024 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccccc1-c1nnn[n-]1 ZINC000826408718 609397828 /nfs/dbraw/zinc/39/78/28/609397828.db2.gz RVJDFVWCHZEEFG-UHFFFAOYSA-N -1 3 398.335 2.359 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccccc1-c1nn[n-]n1 ZINC000826408718 609397829 /nfs/dbraw/zinc/39/78/29/609397829.db2.gz RVJDFVWCHZEEFG-UHFFFAOYSA-N -1 3 398.335 2.359 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCCn3ccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000826499559 609428344 /nfs/dbraw/zinc/42/83/44/609428344.db2.gz NKTIZTQKRIMQKA-UHFFFAOYSA-N -1 3 379.384 2.412 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCCCn3ccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000826499559 609428347 /nfs/dbraw/zinc/42/83/47/609428347.db2.gz NKTIZTQKRIMQKA-UHFFFAOYSA-N -1 3 379.384 2.412 20 5 GEBDHM O=[N+]([O-])c1ccc2ncnc(NCCOc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826499652 609438465 /nfs/dbraw/zinc/43/84/65/609438465.db2.gz RCJYKAVRRKXTGC-UHFFFAOYSA-N -1 3 378.352 2.209 20 5 GEBDHM O=C1[C@@H](NCc2csc([N+](=O)[O-])c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477053 609600750 /nfs/dbraw/zinc/60/07/50/609600750.db2.gz UVQRYFKAIFDTOM-AWEZNQCLSA-N -1 3 399.436 2.122 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824104248 609604623 /nfs/dbraw/zinc/60/46/23/609604623.db2.gz PUBGGYXWPZSAFT-LLVKDONJSA-N -1 3 389.416 2.444 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824104248 609604626 /nfs/dbraw/zinc/60/46/26/609604626.db2.gz PUBGGYXWPZSAFT-LLVKDONJSA-N -1 3 389.416 2.444 20 5 GEBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451642456 650127962 /nfs/dbraw/zinc/12/79/62/650127962.db2.gz XQAMXWOIKUFIRS-SNVBAGLBSA-N -1 3 381.248 2.451 20 5 GEBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451642455 650128005 /nfs/dbraw/zinc/12/80/05/650128005.db2.gz XQAMXWOIKUFIRS-JTQLQIEISA-N -1 3 381.248 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC1CCOCC1 ZINC000462322206 650475119 /nfs/dbraw/zinc/47/51/19/650475119.db2.gz XWHHVQVGBWPUIA-UHFFFAOYSA-N -1 3 378.834 2.112 20 5 GEBDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000510533203 650513341 /nfs/dbraw/zinc/51/33/41/650513341.db2.gz JUBZHKWFCDEXHH-XCBNKYQSSA-N -1 3 381.273 2.387 20 5 GEBDHM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCCC1 ZINC000525184505 650651150 /nfs/dbraw/zinc/65/11/50/650651150.db2.gz LAGJZCOTHVYIAU-LBPRGKRZSA-N -1 3 382.467 2.167 20 5 GEBDHM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000113304215 643394230 /nfs/dbraw/zinc/39/42/30/643394230.db2.gz WTKMABYFDKYJRX-UHFFFAOYSA-N -1 3 389.861 2.175 20 5 GEBDHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000122516877 643656899 /nfs/dbraw/zinc/65/68/99/643656899.db2.gz LSAOPCICNQUBPU-NSHDSACASA-N -1 3 381.248 2.043 20 5 GEBDHM NC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000156546961 644102506 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LAXYFMBGEFILJK-LBPRGKRZSA-N -1 3 378.332 2.219 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1)OCCO2 ZINC000281632187 646785707 /nfs/dbraw/zinc/78/57/07/646785707.db2.gz LVCCMYWRBCJDJN-VIFPVBQESA-N -1 3 378.353 2.080 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c(Cl)c1 ZINC000289114454 646924531 /nfs/dbraw/zinc/92/45/31/646924531.db2.gz IEKANCZCBXKKAQ-AWEZNQCLSA-N -1 3 378.834 2.460 20 5 GEBDHM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCN1CCCCC1 ZINC000330534204 647343091 /nfs/dbraw/zinc/34/30/91/647343091.db2.gz ONWMEEJVKXPOMO-UHFFFAOYSA-N -1 3 392.275 2.122 20 5 GEBDHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416495892 648148874 /nfs/dbraw/zinc/14/88/74/648148874.db2.gz NFMKNIPVSMFMNO-QMMMGPOBSA-N -1 3 384.332 2.232 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2 ZINC000416497246 648149370 /nfs/dbraw/zinc/14/93/70/648149370.db2.gz RJWNDUJOFGEQGQ-GFCCVEGCSA-N -1 3 380.344 2.461 20 5 GEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)O1 ZINC000416611608 648186953 /nfs/dbraw/zinc/18/69/53/648186953.db2.gz YBDAABPWMWOYPO-BBBLOLIVSA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc1 ZINC000557696408 651272790 /nfs/dbraw/zinc/27/27/90/651272790.db2.gz FCLXGBWAVREADZ-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc2c1OCCO2 ZINC000728059937 651536771 /nfs/dbraw/zinc/53/67/71/651536771.db2.gz KGFVTSIRXNNTJA-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H]2CCN(C3CCCCC3)C2=O)s1 ZINC000611281552 651717266 /nfs/dbraw/zinc/71/72/66/651717266.db2.gz UTFGPBOPMUVHSZ-NSHDSACASA-N -1 3 387.483 2.405 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000741158439 651938036 /nfs/dbraw/zinc/93/80/36/651938036.db2.gz TUHQGHUFMMWAIG-JTQLQIEISA-N -1 3 378.834 2.316 20 5 GEBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C 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/nfs/dbraw/zinc/18/71/99/653187199.db2.gz ACHVBAIPNFKURG-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770553559 653216801 /nfs/dbraw/zinc/21/68/01/653216801.db2.gz VZISDMKJDGGRDM-LBPRGKRZSA-N -1 3 378.834 2.255 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@@H]23)cc1Cl ZINC000809808690 653297379 /nfs/dbraw/zinc/29/73/79/653297379.db2.gz DQAPEXVLSDZKBH-RYUDHWBXSA-N -1 3 377.825 2.292 20 5 GEBDHM Cc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000810083530 653322553 /nfs/dbraw/zinc/32/25/53/653322553.db2.gz MWEPMIUSWRAOCA-UHFFFAOYSA-N -1 3 382.467 2.438 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC000779939972 653617189 /nfs/dbraw/zinc/61/71/89/653617189.db2.gz NRTJDQVSFZLLDB-UWVGGRQHSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)c1 ZINC000780900393 653635306 /nfs/dbraw/zinc/63/53/06/653635306.db2.gz VXHOYRNYQYTRAP-JTQLQIEISA-N -1 3 377.216 2.328 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)O ZINC000815081584 653650311 /nfs/dbraw/zinc/65/03/11/653650311.db2.gz JAQUHOFWFOZFOZ-NSHDSACASA-N -1 3 381.248 2.185 20 5 GEBDHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000841555379 653732417 /nfs/dbraw/zinc/73/24/17/653732417.db2.gz CTZKKBYJHVPFIR-JTQLQIEISA-N -1 3 376.818 2.177 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)c1 ZINC000790449294 653792214 /nfs/dbraw/zinc/79/22/14/653792214.db2.gz GMDZPDJAZHIFBW-QMMMGPOBSA-N -1 3 381.273 2.389 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)O1 ZINC000867609223 653961470 /nfs/dbraw/zinc/96/14/70/653961470.db2.gz MXPJRNSYAHIBDA-SOCHQFKDSA-N -1 3 379.232 2.202 20 5 GEBDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796138705 653987702 /nfs/dbraw/zinc/98/77/02/653987702.db2.gz CNZXXGRQRHLBCS-ZJUUUORDSA-N -1 3 393.259 2.308 20 5 GEBDHM CC1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000798225683 654055081 /nfs/dbraw/zinc/05/50/81/654055081.db2.gz HBAKSDPKHPWTQD-UHFFFAOYSA-N -1 3 379.841 2.398 20 5 GEBDHM CN1CCn2nc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])cc2C1 ZINC000829417960 654066687 /nfs/dbraw/zinc/06/66/87/654066687.db2.gz REPRFIARVAKIOR-UHFFFAOYSA-N -1 3 386.231 2.313 20 5 GEBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000799741823 654109162 /nfs/dbraw/zinc/10/91/62/654109162.db2.gz BBDNZTXJEZJIBA-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000799741823 654109165 /nfs/dbraw/zinc/10/91/65/654109165.db2.gz BBDNZTXJEZJIBA-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000800052044 654126226 /nfs/dbraw/zinc/12/62/26/654126226.db2.gz YPGCGSUWGXFERI-UHFFFAOYSA-N -1 3 388.398 2.247 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000800149305 654132282 /nfs/dbraw/zinc/13/22/82/654132282.db2.gz JQROSJGQCCLREV-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000921856966 654332637 /nfs/dbraw/zinc/33/26/37/654332637.db2.gz ZJHLWJWIPROKRA-GWCFXTLKSA-N -1 3 382.360 2.457 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000921863108 654335006 /nfs/dbraw/zinc/33/50/06/654335006.db2.gz UXHUGHFDQQIYNU-GWCFXTLKSA-N -1 3 382.360 2.403 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC000921863111 654335041 /nfs/dbraw/zinc/33/50/41/654335041.db2.gz UXHUGHFDQQIYNU-GXFFZTMASA-N -1 3 382.360 2.403 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921864837 654335683 /nfs/dbraw/zinc/33/56/83/654335683.db2.gz WGCCXUGEYDSYNK-MFKMUULPSA-N -1 3 382.360 2.457 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC000921864836 654335772 /nfs/dbraw/zinc/33/57/72/654335772.db2.gz WGCCXUGEYDSYNK-GXFFZTMASA-N -1 3 382.360 2.457 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000152495429 531554691 /nfs/dbraw/zinc/55/46/91/531554691.db2.gz WICSSXGNMABORR-UHFFFAOYSA-N -1 3 377.300 2.411 20 5 GEBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1I ZINC000024002030 531600946 /nfs/dbraw/zinc/60/09/46/531600946.db2.gz FBXKNKBHKHHXAX-UHFFFAOYSA-N -1 3 399.144 2.448 20 5 GEBDHM Nc1cccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000158301589 531774857 /nfs/dbraw/zinc/77/48/57/531774857.db2.gz GEPARRKCKNVTCO-UHFFFAOYSA-N -1 3 386.227 2.418 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000056042809 531802007 /nfs/dbraw/zinc/80/20/07/531802007.db2.gz SDXPMXBUSNCXQP-SDDRHHMPSA-N -1 3 391.877 2.024 20 5 GEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNCc1ccc(F)c(Cl)c1 ZINC000162701699 531848100 /nfs/dbraw/zinc/84/81/00/531848100.db2.gz RHUOGJRHIPIMSV-UHFFFAOYSA-N -1 3 387.820 2.455 20 5 GEBDHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122077579 532057036 /nfs/dbraw/zinc/05/70/36/532057036.db2.gz IQYUFSAWZKCTGX-LBPRGKRZSA-N -1 3 381.248 2.043 20 5 GEBDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175639938 532110377 /nfs/dbraw/zinc/11/03/77/532110377.db2.gz YMXYYKYZAODUSX-MRTUKWCHSA-N -1 3 378.447 2.092 20 5 GEBDHM C[S@@](=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000175874806 532117744 /nfs/dbraw/zinc/11/77/44/532117744.db2.gz FZRJPPQZAQYOKI-HSZRJFAPSA-N -1 3 388.854 2.464 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000124067068 532113689 /nfs/dbraw/zinc/11/36/89/532113689.db2.gz DTCXTASSVJUPSA-RYUDHWBXSA-N -1 3 389.499 2.326 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000176718475 532147303 /nfs/dbraw/zinc/14/73/03/532147303.db2.gz UUBATGDTOJXYQI-JOCHJYFZSA-N -1 3 382.891 2.382 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000134051947 532249271 /nfs/dbraw/zinc/24/92/71/532249271.db2.gz NQSKYWXTHNAJIC-JOYOIKCWSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000180941433 532286257 /nfs/dbraw/zinc/28/62/57/532286257.db2.gz NSVMPJUIVHVKLQ-NSHDSACASA-N -1 3 384.845 2.272 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCOCC2)ccc1Br ZINC000183388381 532324938 /nfs/dbraw/zinc/32/49/38/532324938.db2.gz KYOFPNAJQIYRQJ-SECBINFHSA-N -1 3 379.232 2.205 20 5 GEBDHM COc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)n2C ZINC000185293547 532337548 /nfs/dbraw/zinc/33/75/48/532337548.db2.gz PHBUCHWPBQZVEA-UHFFFAOYSA-N -1 3 382.423 2.030 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000186954819 532342757 /nfs/dbraw/zinc/34/27/57/532342757.db2.gz ICBTUNFUIXYLQL-UHFFFAOYSA-N -1 3 389.430 2.337 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC(F)F)c(C(F)(F)F)c1 ZINC000190960264 532358904 /nfs/dbraw/zinc/35/89/04/532358904.db2.gz HYCZXGDKOREZJR-UHFFFAOYSA-N -1 3 378.275 2.174 20 5 GEBDHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000425204999 532373178 /nfs/dbraw/zinc/37/31/78/532373178.db2.gz NVTZGQYZSKMFDY-VIFPVBQESA-N -1 3 385.423 2.019 20 5 GEBDHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295254494 532426011 /nfs/dbraw/zinc/42/60/11/532426011.db2.gz KRYLMICADXGMOR-NSHDSACASA-N -1 3 379.232 2.203 20 5 GEBDHM COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467079740 532437436 /nfs/dbraw/zinc/43/74/36/532437436.db2.gz ADXWCAPRINRBLJ-ZDUSSCGKSA-N -1 3 386.451 2.375 20 5 GEBDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467067417 532437620 /nfs/dbraw/zinc/43/76/20/532437620.db2.gz BNADOLVHISPQNI-IINYFYTJSA-N -1 3 376.456 2.365 20 5 GEBDHM CCn1ccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295429598 532444947 /nfs/dbraw/zinc/44/49/47/532444947.db2.gz JCZJIYLWWLMLED-UHFFFAOYSA-N -1 3 378.332 2.309 20 5 GEBDHM COCCOc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467415469 532446067 /nfs/dbraw/zinc/44/60/67/532446067.db2.gz BRKZEIREPCLUFI-UHFFFAOYSA-N -1 3 386.451 2.468 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000562016646 532455566 /nfs/dbraw/zinc/45/55/66/532455566.db2.gz XAOHYQUGBWKXIU-BBRMVZONSA-N -1 3 382.463 2.409 20 5 GEBDHM CN(C)S(=O)(=O)C[C@@H]([N-]c1c(F)cc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000520442262 532493949 /nfs/dbraw/zinc/49/39/49/532493949.db2.gz UWEKWTWFXJWMLM-SECBINFHSA-N -1 3 377.291 2.107 20 5 GEBDHM COC(=O)c1cnc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000431179458 532507333 /nfs/dbraw/zinc/50/73/33/532507333.db2.gz GPABLVNRUNEVCZ-UHFFFAOYSA-N -1 3 395.169 2.495 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594471924 532509636 /nfs/dbraw/zinc/50/96/36/532509636.db2.gz SDXPMXBUSNCXQP-UTUOFQBUSA-N -1 3 391.877 2.024 20 5 GEBDHM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431621174 532518565 /nfs/dbraw/zinc/51/85/65/532518565.db2.gz CCDMTWFBWRMUBL-JTQLQIEISA-N -1 3 377.850 2.079 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000469317004 532500770 /nfs/dbraw/zinc/50/07/70/532500770.db2.gz IHSAWILNBQJTGN-CMPLNLGQSA-N -1 3 388.467 2.334 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000431635572 532519688 /nfs/dbraw/zinc/51/96/88/532519688.db2.gz RHJZJVTZQPPWIL-MRVPVSSYSA-N -1 3 387.215 2.187 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nccn1C ZINC000595382461 532562818 /nfs/dbraw/zinc/56/28/18/532562818.db2.gz ITWKGSLISQRHKY-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM C[N-]S(=O)(=O)c1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)s1 ZINC000567751688 532662177 /nfs/dbraw/zinc/66/21/77/532662177.db2.gz KKSFGXWSLNMNHC-UHFFFAOYSA-N -1 3 382.467 2.450 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CC=CCC2)c(C(F)(F)F)c1 ZINC000481027281 532665060 /nfs/dbraw/zinc/66/50/60/532665060.db2.gz VMBTYLVBABPOHH-UHFFFAOYSA-N -1 3 379.360 2.154 20 5 GEBDHM CC(C)CSCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000533693082 532665616 /nfs/dbraw/zinc/66/56/16/532665616.db2.gz FTFRKBREIDDFGV-UHFFFAOYSA-N -1 3 390.483 2.424 20 5 GEBDHM Cc1cnc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000440648126 532719308 /nfs/dbraw/zinc/71/93/08/532719308.db2.gz JBOPMCBLBIVWAJ-UHFFFAOYSA-N -1 3 388.808 2.481 20 5 GEBDHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443332677 532746042 /nfs/dbraw/zinc/74/60/42/532746042.db2.gz IJNXLOXKDUCCKL-GXSJLCMTSA-N -1 3 395.275 2.433 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1csc([C@H](C)OC)n1 ZINC000267640299 532749383 /nfs/dbraw/zinc/74/93/83/532749383.db2.gz QUKCDIFKGLHMDT-VIFPVBQESA-N -1 3 387.439 2.246 20 5 GEBDHM CN(C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000445747866 532753762 /nfs/dbraw/zinc/75/37/62/532753762.db2.gz GWXOPNYUQRQPLX-UHFFFAOYSA-N -1 3 392.275 2.120 20 5 GEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000542701513 532777228 /nfs/dbraw/zinc/77/72/28/532777228.db2.gz HURBTHZFSNJJOH-SNVBAGLBSA-N -1 3 376.740 2.148 20 5 GEBDHM COCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000452043811 532771083 /nfs/dbraw/zinc/77/10/83/532771083.db2.gz HOVIISLRMKEEKX-UHFFFAOYSA-N -1 3 376.406 2.228 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c(C(F)(F)F)c1 ZINC000554964205 532806836 /nfs/dbraw/zinc/80/68/36/532806836.db2.gz NGDKJXVTMMCPLC-LBPRGKRZSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000271288248 532806916 /nfs/dbraw/zinc/80/69/16/532806916.db2.gz SGWXFZRPMSRDCD-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1 ZINC000330638839 532823335 /nfs/dbraw/zinc/82/33/35/532823335.db2.gz AQBWHSOUIYMLKO-NSHDSACASA-N -1 3 379.232 2.205 20 5 GEBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331197336 532835793 /nfs/dbraw/zinc/83/57/93/532835793.db2.gz YVCXOEZAKPPGAD-LLVKDONJSA-N -1 3 392.275 2.120 20 5 GEBDHM CN1CC=C(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000273986665 532838892 /nfs/dbraw/zinc/83/88/92/532838892.db2.gz RFFLHPSJRNVAHI-UHFFFAOYSA-N -1 3 379.360 2.154 20 5 GEBDHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000274798966 532856650 /nfs/dbraw/zinc/85/66/50/532856650.db2.gz PYJXCPMVGVPJQE-ABAIWWIYSA-N -1 3 390.458 2.375 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000289548005 532858903 /nfs/dbraw/zinc/85/89/03/532858903.db2.gz RSNKLPGTWKRWDM-VIFPVBQESA-N -1 3 377.825 2.150 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000275034110 532861506 /nfs/dbraw/zinc/86/15/06/532861506.db2.gz CSVZROHLELYNTQ-NSHDSACASA-N -1 3 378.422 2.066 20 5 GEBDHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C ZINC000416459439 532878256 /nfs/dbraw/zinc/87/82/56/532878256.db2.gz SODSABUCJOKCII-MWLCHTKSSA-N -1 3 381.376 2.375 20 5 GEBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276200353 532890794 /nfs/dbraw/zinc/89/07/94/532890794.db2.gz JFXMGOASTJMDMF-SNVBAGLBSA-N -1 3 376.456 2.191 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000293927627 532933417 /nfs/dbraw/zinc/93/34/17/532933417.db2.gz YNEJVGZQKVPMTD-LLVKDONJSA-N -1 3 381.248 2.185 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C2CC2)ccc1Br ZINC000371217208 532947330 /nfs/dbraw/zinc/94/73/30/532947330.db2.gz WMWFYUIXHUIPAB-DGCLKSJQSA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000738366622 598873102 /nfs/dbraw/zinc/87/31/02/598873102.db2.gz GBSYGNTWIRDNBL-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000738366622 598873104 /nfs/dbraw/zinc/87/31/04/598873104.db2.gz GBSYGNTWIRDNBL-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1c1ccccc1 ZINC000738294581 598916066 /nfs/dbraw/zinc/91/60/66/598916066.db2.gz DOVCQYCJGFAZCL-MRXNPFEDSA-N -1 3 379.380 2.382 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1c1ccccc1 ZINC000738294581 598916068 /nfs/dbraw/zinc/91/60/68/598916068.db2.gz DOVCQYCJGFAZCL-MRXNPFEDSA-N -1 3 379.380 2.382 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737372210 598952436 /nfs/dbraw/zinc/95/24/36/598952436.db2.gz BCKOWJCWZDZDHL-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737372210 598952438 /nfs/dbraw/zinc/95/24/38/598952438.db2.gz BCKOWJCWZDZDHL-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM COC(=O)C(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821639349 599039908 /nfs/dbraw/zinc/03/99/08/599039908.db2.gz WHCPMRXYGVLQJD-UHFFFAOYSA-N -1 3 383.368 2.364 20 5 GEBDHM COC(=O)C(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821639349 599039911 /nfs/dbraw/zinc/03/99/11/599039911.db2.gz WHCPMRXYGVLQJD-UHFFFAOYSA-N -1 3 383.368 2.364 20 5 GEBDHM Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737250980 599041934 /nfs/dbraw/zinc/04/19/34/599041934.db2.gz RIWKLFVOZJZGFW-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737250980 599041937 /nfs/dbraw/zinc/04/19/37/599041937.db2.gz RIWKLFVOZJZGFW-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC000737348445 599042305 /nfs/dbraw/zinc/04/23/05/599042305.db2.gz ZQNKCCXGFPOIGI-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC000737348445 599042308 /nfs/dbraw/zinc/04/23/08/599042308.db2.gz ZQNKCCXGFPOIGI-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000737397271 599042525 /nfs/dbraw/zinc/04/25/25/599042525.db2.gz SSQJAGUHIRYKKJ-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000737397271 599042528 /nfs/dbraw/zinc/04/25/28/599042528.db2.gz SSQJAGUHIRYKKJ-UHFFFAOYSA-N -1 3 388.409 2.217 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc([N+](=O)[O-])s1 ZINC000738245866 599149806 /nfs/dbraw/zinc/14/98/06/599149806.db2.gz ZERCTCIGOCFSEE-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc([N+](=O)[O-])s1 ZINC000738245866 599149808 /nfs/dbraw/zinc/14/98/08/599149808.db2.gz ZERCTCIGOCFSEE-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM COc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c([N+](=O)[O-])c1 ZINC000737110714 599159207 /nfs/dbraw/zinc/15/92/07/599159207.db2.gz CVYGQNGJAGMYPD-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM COc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000737110714 599159209 /nfs/dbraw/zinc/15/92/09/599159209.db2.gz CVYGQNGJAGMYPD-UHFFFAOYSA-N -1 3 395.335 2.413 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738089713 599213069 /nfs/dbraw/zinc/21/30/69/599213069.db2.gz QLMMJXVZINFKJV-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738090479 599223298 /nfs/dbraw/zinc/22/32/98/599223298.db2.gz WIPPAMCGYWXIGY-UHFFFAOYSA-N -1 3 388.771 2.237 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821846557 599235644 /nfs/dbraw/zinc/23/56/44/599235644.db2.gz UHFKDHAVRJUZEH-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821846557 599235646 /nfs/dbraw/zinc/23/56/46/599235646.db2.gz UHFKDHAVRJUZEH-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM Cc1c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822096346 607287530 /nfs/dbraw/zinc/28/75/30/607287530.db2.gz LEKMZEJGPSOGBX-UHFFFAOYSA-N -1 3 382.384 2.317 20 5 GEBDHM Cc1c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822096346 607287531 /nfs/dbraw/zinc/28/75/31/607287531.db2.gz LEKMZEJGPSOGBX-UHFFFAOYSA-N -1 3 382.384 2.317 20 5 GEBDHM Cc1nc(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822449763 607306073 /nfs/dbraw/zinc/30/60/73/607306073.db2.gz NSKYMITZDBMOND-UHFFFAOYSA-N -1 3 382.384 2.059 20 5 GEBDHM Cc1nc(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822449763 607306074 /nfs/dbraw/zinc/30/60/74/607306074.db2.gz NSKYMITZDBMOND-UHFFFAOYSA-N -1 3 382.384 2.059 20 5 GEBDHM O=C(CC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737812465 598246066 /nfs/dbraw/zinc/24/60/66/598246066.db2.gz FESLMTSQVVPHDJ-UHFFFAOYSA-N -1 3 399.455 2.394 20 5 GEBDHM O=C(CC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737812465 598246068 /nfs/dbraw/zinc/24/60/68/598246068.db2.gz FESLMTSQVVPHDJ-UHFFFAOYSA-N -1 3 399.455 2.394 20 5 GEBDHM CCN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000736536758 598394554 /nfs/dbraw/zinc/39/45/54/598394554.db2.gz NQYAGXJINCPWCK-UHFFFAOYSA-N -1 3 377.405 2.444 20 5 GEBDHM CCN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000736536758 598394556 /nfs/dbraw/zinc/39/45/56/598394556.db2.gz NQYAGXJINCPWCK-UHFFFAOYSA-N -1 3 377.405 2.444 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000735652173 598500218 /nfs/dbraw/zinc/50/02/18/598500218.db2.gz DCHBQNIEDGCGQC-JTQLQIEISA-N -1 3 383.416 2.091 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000735652173 598500219 /nfs/dbraw/zinc/50/02/19/598500219.db2.gz DCHBQNIEDGCGQC-JTQLQIEISA-N -1 3 383.416 2.091 20 5 GEBDHM COC(=O)c1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736949190 598537185 /nfs/dbraw/zinc/53/71/85/598537185.db2.gz OERVTAZVTXKLPN-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM COC(=O)c1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736949190 598537187 /nfs/dbraw/zinc/53/71/87/598537187.db2.gz OERVTAZVTXKLPN-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000738374698 598580758 /nfs/dbraw/zinc/58/07/58/598580758.db2.gz SEBWLVPLLRYNQT-INIZCTEOSA-N -1 3 377.364 2.469 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000738374698 598580760 /nfs/dbraw/zinc/58/07/60/598580760.db2.gz SEBWLVPLLRYNQT-INIZCTEOSA-N -1 3 377.364 2.469 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737115210 598626444 /nfs/dbraw/zinc/62/64/44/598626444.db2.gz NBICDADKWDEDMT-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737115210 598626446 /nfs/dbraw/zinc/62/64/46/598626446.db2.gz NBICDADKWDEDMT-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738077630 598633321 /nfs/dbraw/zinc/63/33/21/598633321.db2.gz HRHPUOGKAUHAFL-UHFFFAOYSA-N -1 3 386.347 2.148 20 5 GEBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738077630 598633322 /nfs/dbraw/zinc/63/33/22/598633322.db2.gz HRHPUOGKAUHAFL-UHFFFAOYSA-N -1 3 386.347 2.148 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000737941578 598655419 /nfs/dbraw/zinc/65/54/19/598655419.db2.gz NPNMTRLOLOETHW-UHFFFAOYSA-N -1 3 384.421 2.226 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000737941578 598655421 /nfs/dbraw/zinc/65/54/21/598655421.db2.gz NPNMTRLOLOETHW-UHFFFAOYSA-N -1 3 384.421 2.226 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736842037 598775880 /nfs/dbraw/zinc/77/58/80/598775880.db2.gz MGEIVGASSAMFGL-MRXNPFEDSA-N -1 3 397.370 2.156 20 5 GEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736842037 598775882 /nfs/dbraw/zinc/77/58/82/598775882.db2.gz MGEIVGASSAMFGL-MRXNPFEDSA-N -1 3 397.370 2.156 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000738150858 598806599 /nfs/dbraw/zinc/80/65/99/598806599.db2.gz KIAZJVAZNJLZNV-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000738150858 598806600 /nfs/dbraw/zinc/80/66/00/598806600.db2.gz KIAZJVAZNJLZNV-UHFFFAOYSA-N -1 3 394.395 2.025 20 5 GEBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415877 607367535 /nfs/dbraw/zinc/36/75/35/607367535.db2.gz WWPCQBFABXFIIL-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415877 607367537 /nfs/dbraw/zinc/36/75/37/607367537.db2.gz WWPCQBFABXFIIL-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738210981 599295613 /nfs/dbraw/zinc/29/56/13/599295613.db2.gz YCPWZIOZSWACEL-UHFFFAOYSA-N -1 3 398.364 2.076 20 5 GEBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738210981 599295614 /nfs/dbraw/zinc/29/56/14/599295614.db2.gz YCPWZIOZSWACEL-UHFFFAOYSA-N -1 3 398.364 2.076 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822212016 599323689 /nfs/dbraw/zinc/32/36/89/599323689.db2.gz YUEKZHZSWOOWBY-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822212016 599323691 /nfs/dbraw/zinc/32/36/91/599323691.db2.gz YUEKZHZSWOOWBY-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822130256 599326358 /nfs/dbraw/zinc/32/63/58/599326358.db2.gz RVIWWNHCQMJKEZ-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822130256 599326359 /nfs/dbraw/zinc/32/63/59/599326359.db2.gz RVIWWNHCQMJKEZ-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM COC(=O)c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000736949144 599345885 /nfs/dbraw/zinc/34/58/85/599345885.db2.gz DJEKWUDPOARYHE-SREVYHEPSA-N -1 3 394.347 2.213 20 5 GEBDHM COC(=O)c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000736949144 599345888 /nfs/dbraw/zinc/34/58/88/599345888.db2.gz DJEKWUDPOARYHE-SREVYHEPSA-N -1 3 394.347 2.213 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nncn3C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370184 599351395 /nfs/dbraw/zinc/35/13/95/599351395.db2.gz NTOZQEUNXKZNIG-UHFFFAOYSA-N -1 3 381.400 2.085 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nncn3C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370184 599351397 /nfs/dbraw/zinc/35/13/97/599351397.db2.gz NTOZQEUNXKZNIG-UHFFFAOYSA-N -1 3 381.400 2.085 20 5 GEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCc1cccc(-c2nnn[n-]2)c1 ZINC000823123293 599387632 /nfs/dbraw/zinc/38/76/32/599387632.db2.gz WIWLBTOAXKSRPJ-UHFFFAOYSA-N -1 3 377.364 2.046 20 5 GEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCc1cccc(-c2nn[n-]n2)c1 ZINC000823123293 599387634 /nfs/dbraw/zinc/38/76/34/599387634.db2.gz WIWLBTOAXKSRPJ-UHFFFAOYSA-N -1 3 377.364 2.046 20 5 GEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823122532 599388361 /nfs/dbraw/zinc/38/83/61/599388361.db2.gz FGMYNWLPRVBYOJ-UHFFFAOYSA-N -1 3 377.364 2.046 20 5 GEBDHM O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823122532 599388363 /nfs/dbraw/zinc/38/83/63/599388363.db2.gz FGMYNWLPRVBYOJ-UHFFFAOYSA-N -1 3 377.364 2.046 20 5 GEBDHM C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820368231 599422048 /nfs/dbraw/zinc/42/20/48/599422048.db2.gz YHELCCFMMVWCBL-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820368231 599422052 /nfs/dbraw/zinc/42/20/52/599422052.db2.gz YHELCCFMMVWCBL-LBPRGKRZSA-N -1 3 381.396 2.378 20 5 GEBDHM O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415467 607378957 /nfs/dbraw/zinc/37/89/57/607378957.db2.gz GVAZMEUCRKNFHE-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415467 607378959 /nfs/dbraw/zinc/37/89/59/607378959.db2.gz GVAZMEUCRKNFHE-UHFFFAOYSA-N -1 3 389.274 2.093 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000821845875 599514146 /nfs/dbraw/zinc/51/41/46/599514146.db2.gz KQSCGXDJQIBPCT-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820391384 599531267 /nfs/dbraw/zinc/53/12/67/599531267.db2.gz ONBHAKNDRGUGNO-VIFPVBQESA-N -1 3 383.324 2.174 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391384 599531269 /nfs/dbraw/zinc/53/12/69/599531269.db2.gz ONBHAKNDRGUGNO-VIFPVBQESA-N -1 3 383.324 2.174 20 5 GEBDHM COC(=O)C1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821654921 599541529 /nfs/dbraw/zinc/54/15/29/599541529.db2.gz AQHWTSMDJDACMX-UHFFFAOYSA-N -1 3 397.395 2.467 20 5 GEBDHM COC(=O)C1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821654921 599541531 /nfs/dbraw/zinc/54/15/31/599541531.db2.gz AQHWTSMDJDACMX-UHFFFAOYSA-N -1 3 397.395 2.467 20 5 GEBDHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819984011 599685924 /nfs/dbraw/zinc/68/59/24/599685924.db2.gz MQGDEZAEHKNPLT-UHFFFAOYSA-N -1 3 377.405 2.490 20 5 GEBDHM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819984011 599685925 /nfs/dbraw/zinc/68/59/25/599685925.db2.gz MQGDEZAEHKNPLT-UHFFFAOYSA-N -1 3 377.405 2.490 20 5 GEBDHM COc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000826187194 607425439 /nfs/dbraw/zinc/42/54/39/607425439.db2.gz FIWBMSRUOLGLPM-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM COc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826187194 607425441 /nfs/dbraw/zinc/42/54/41/607425441.db2.gz FIWBMSRUOLGLPM-UHFFFAOYSA-N -1 3 380.364 2.203 20 5 GEBDHM CC(C)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1-c1nnn[n-]1 ZINC000820174655 607441031 /nfs/dbraw/zinc/44/10/31/607441031.db2.gz VGTJMUOUXOHFEO-UHFFFAOYSA-N -1 3 383.368 2.397 20 5 GEBDHM CC(C)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1-c1nn[n-]n1 ZINC000820174655 607441033 /nfs/dbraw/zinc/44/10/33/607441033.db2.gz VGTJMUOUXOHFEO-UHFFFAOYSA-N -1 3 383.368 2.397 20 5 GEBDHM CN(C)[C@@H](CNC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000830580251 601249409 /nfs/dbraw/zinc/24/94/09/601249409.db2.gz HBZQVTBINXMHML-INIZCTEOSA-N -1 3 387.392 2.091 20 5 GEBDHM O=C(Cc1ccccc1[N+](=O)[O-])N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833119007 601733799 /nfs/dbraw/zinc/73/37/99/601733799.db2.gz SQWLWPCVWGCGFE-OAQYLSRUSA-N -1 3 397.431 2.373 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824420652 607541898 /nfs/dbraw/zinc/54/18/98/607541898.db2.gz NKLPDGUYPDVIDR-JTQLQIEISA-N -1 3 377.405 2.348 20 5 GEBDHM C[C@H](CNC(=O)OC(C)(C)C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824420652 607541899 /nfs/dbraw/zinc/54/18/99/607541899.db2.gz NKLPDGUYPDVIDR-JTQLQIEISA-N -1 3 377.405 2.348 20 5 GEBDHM COC(=O)C1CCN(CCCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000831114308 602313702 /nfs/dbraw/zinc/31/37/02/602313702.db2.gz NRJDASKZWYDORE-UHFFFAOYSA-N -1 3 379.413 2.288 20 5 GEBDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826199133 607563180 /nfs/dbraw/zinc/56/31/80/607563180.db2.gz QTDFVHWEMAJOMM-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826199133 607563181 /nfs/dbraw/zinc/56/31/81/607563181.db2.gz QTDFVHWEMAJOMM-NSHDSACASA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826198235 607572739 /nfs/dbraw/zinc/57/27/39/607572739.db2.gz QZELXXPSUKJJPV-UHFFFAOYSA-N -1 3 397.395 2.125 20 5 GEBDHM COc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826198235 607572741 /nfs/dbraw/zinc/57/27/41/607572741.db2.gz QZELXXPSUKJJPV-UHFFFAOYSA-N -1 3 397.395 2.125 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000826498207 607734407 /nfs/dbraw/zinc/73/44/07/607734407.db2.gz LIDLPEHJZZSRIM-BZNIZROVSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(-c2nn[n-]n2)c1 ZINC000826498207 607734408 /nfs/dbraw/zinc/73/44/08/607734408.db2.gz LIDLPEHJZZSRIM-BZNIZROVSA-N -1 3 388.334 2.365 20 5 GEBDHM O=C([O-])N1CCC[C@H]1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000834107315 605351421 /nfs/dbraw/zinc/35/14/21/605351421.db2.gz MIJMOTMJUPJLNW-CVEARBPZSA-N -1 3 393.440 2.189 20 5 GEBDHM CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCN(C(=O)[O-])CC1 ZINC000826898638 605483391 /nfs/dbraw/zinc/48/33/91/605483391.db2.gz ZHQCSISLSSYVIA-UHFFFAOYSA-N -1 3 390.440 2.338 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823639974 606145837 /nfs/dbraw/zinc/14/58/37/606145837.db2.gz NXPVYHCNYDQVJA-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823639974 606145839 /nfs/dbraw/zinc/14/58/39/606145839.db2.gz NXPVYHCNYDQVJA-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM C[C@H](N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419406 606301051 /nfs/dbraw/zinc/30/10/51/606301051.db2.gz GTARLULZGIUVJI-IINYFYTJSA-N -1 3 399.436 2.293 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000822136741 606331332 /nfs/dbraw/zinc/33/13/32/606331332.db2.gz PXKAOSIRQUAJEY-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000822136741 606331333 /nfs/dbraw/zinc/33/13/33/606331333.db2.gz PXKAOSIRQUAJEY-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823112212 606380968 /nfs/dbraw/zinc/38/09/68/606380968.db2.gz URUSGSCYROUKTL-UHFFFAOYSA-N -1 3 380.320 2.202 20 5 GEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823112212 606380970 /nfs/dbraw/zinc/38/09/70/606380970.db2.gz URUSGSCYROUKTL-UHFFFAOYSA-N -1 3 380.320 2.202 20 5 GEBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823409047 606757981 /nfs/dbraw/zinc/75/79/81/606757981.db2.gz BIWCZAORHLQPST-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823409047 606757982 /nfs/dbraw/zinc/75/79/82/606757982.db2.gz BIWCZAORHLQPST-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM CNc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821637766 606942253 /nfs/dbraw/zinc/94/22/53/606942253.db2.gz SKPRGTYDQLPTBK-UHFFFAOYSA-N -1 3 398.379 2.443 20 5 GEBDHM CNc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821637766 606942255 /nfs/dbraw/zinc/94/22/55/606942255.db2.gz SKPRGTYDQLPTBK-UHFFFAOYSA-N -1 3 398.379 2.443 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823041329 606997427 /nfs/dbraw/zinc/99/74/27/606997427.db2.gz YZSNWSHRSUWDRT-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823041329 606997428 /nfs/dbraw/zinc/99/74/28/606997428.db2.gz YZSNWSHRSUWDRT-UHFFFAOYSA-N -1 3 391.290 2.175 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822974433 607078092 /nfs/dbraw/zinc/07/80/92/607078092.db2.gz MGZZBGYRUHIOEZ-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822974433 607078093 /nfs/dbraw/zinc/07/80/93/607078093.db2.gz MGZZBGYRUHIOEZ-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822992119 607177892 /nfs/dbraw/zinc/17/78/92/607177892.db2.gz ISPIYMPIIIYFSO-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822992119 607177893 /nfs/dbraw/zinc/17/78/93/607177893.db2.gz ISPIYMPIIIYFSO-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM COc1ccc(OC)c(CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826210969 607966318 /nfs/dbraw/zinc/96/63/18/607966318.db2.gz LDXJQQZRKFRPMZ-UHFFFAOYSA-N -1 3 385.384 2.232 20 5 GEBDHM COc1ccc(OC)c(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826210969 607966319 /nfs/dbraw/zinc/96/63/19/607966319.db2.gz LDXJQQZRKFRPMZ-UHFFFAOYSA-N -1 3 385.384 2.232 20 5 GEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826164224 608052219 /nfs/dbraw/zinc/05/22/19/608052219.db2.gz JCGGLMUSZVZEPD-GOSISDBHSA-N -1 3 396.407 2.499 20 5 GEBDHM COCc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826164224 608052220 /nfs/dbraw/zinc/05/22/20/608052220.db2.gz JCGGLMUSZVZEPD-GOSISDBHSA-N -1 3 396.407 2.499 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826417985 608121432 /nfs/dbraw/zinc/12/14/32/608121432.db2.gz MYXFKWRFCOPFDR-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826417985 608121433 /nfs/dbraw/zinc/12/14/33/608121433.db2.gz MYXFKWRFCOPFDR-UHFFFAOYSA-N -1 3 394.391 2.345 20 5 GEBDHM CN(C)c1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825879176 608129408 /nfs/dbraw/zinc/12/94/08/608129408.db2.gz ITQREGWCTUJZNJ-UHFFFAOYSA-N -1 3 382.380 2.127 20 5 GEBDHM CN(C)c1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825879176 608129409 /nfs/dbraw/zinc/12/94/09/608129409.db2.gz ITQREGWCTUJZNJ-UHFFFAOYSA-N -1 3 382.380 2.127 20 5 GEBDHM C[C@H](N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553841 608391560 /nfs/dbraw/zinc/39/15/60/608391560.db2.gz IUYMPYOZBFQMEQ-GWCFXTLKSA-N -1 3 399.436 2.293 20 5 GEBDHM C[C@H](N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000824553841 608391562 /nfs/dbraw/zinc/39/15/62/608391562.db2.gz IUYMPYOZBFQMEQ-GWCFXTLKSA-N -1 3 399.436 2.293 20 5 GEBDHM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824529288 608391755 /nfs/dbraw/zinc/39/17/55/608391755.db2.gz FYMXICMEYBCXHC-RYUDHWBXSA-N -1 3 381.396 2.453 20 5 GEBDHM O=[N+]([O-])c1cnc2ccc(NCCSCc3ccccc3-c3nnn[n-]3)nn21 ZINC000826500825 608392991 /nfs/dbraw/zinc/39/29/91/608392991.db2.gz NQISLNDSXXZBQO-UHFFFAOYSA-N -1 3 397.424 2.163 20 5 GEBDHM O=[N+]([O-])c1cnc2ccc(NCCSCc3ccccc3-c3nn[n-]n3)nn21 ZINC000826500825 608392993 /nfs/dbraw/zinc/39/29/93/608392993.db2.gz NQISLNDSXXZBQO-UHFFFAOYSA-N -1 3 397.424 2.163 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826255641 608426498 /nfs/dbraw/zinc/42/64/98/608426498.db2.gz FFMUQXMLDJBOBM-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826255641 608426500 /nfs/dbraw/zinc/42/65/00/608426500.db2.gz FFMUQXMLDJBOBM-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nnn[n-]2)c1F ZINC000826407803 608443733 /nfs/dbraw/zinc/44/37/33/608443733.db2.gz BTGDCGZJRSOARE-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nn[n-]n2)c1F ZINC000826407803 608443735 /nfs/dbraw/zinc/44/37/35/608443735.db2.gz BTGDCGZJRSOARE-UHFFFAOYSA-N -1 3 387.327 2.426 20 5 GEBDHM COc1nc(C)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826221569 609237573 /nfs/dbraw/zinc/23/75/73/609237573.db2.gz KZZGZHJTLHPBML-UHFFFAOYSA-N -1 3 389.759 2.393 20 5 GEBDHM COc1nc(C)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826221569 609237575 /nfs/dbraw/zinc/23/75/75/609237575.db2.gz KZZGZHJTLHPBML-UHFFFAOYSA-N -1 3 389.759 2.393 20 5 GEBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826468336 609395791 /nfs/dbraw/zinc/39/57/91/609395791.db2.gz MAKLTFCPMQDFIC-HNNXBMFYSA-N -1 3 398.310 2.013 20 5 GEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826468336 609395794 /nfs/dbraw/zinc/39/57/94/609395794.db2.gz MAKLTFCPMQDFIC-HNNXBMFYSA-N -1 3 398.310 2.013 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181657028 609426652 /nfs/dbraw/zinc/42/66/52/609426652.db2.gz NNSAFPDYCILFTD-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181657028 609426654 /nfs/dbraw/zinc/42/66/54/609426654.db2.gz NNSAFPDYCILFTD-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826498210 609544187 /nfs/dbraw/zinc/54/41/87/609544187.db2.gz LIYWQOAPXGAUBF-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826498210 609544188 /nfs/dbraw/zinc/54/41/88/609544188.db2.gz LIYWQOAPXGAUBF-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824104598 609604200 /nfs/dbraw/zinc/60/42/00/609604200.db2.gz VISSUGBZMDHXSF-LLVKDONJSA-N -1 3 389.416 2.444 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824104598 609604202 /nfs/dbraw/zinc/60/42/02/609604202.db2.gz VISSUGBZMDHXSF-LLVKDONJSA-N -1 3 389.416 2.444 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293439 609629705 /nfs/dbraw/zinc/62/97/05/609629705.db2.gz PEWJELDOERVLQB-BDJLRTHQSA-N -1 3 383.364 2.421 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293439 609629707 /nfs/dbraw/zinc/62/97/07/609629707.db2.gz PEWJELDOERVLQB-BDJLRTHQSA-N -1 3 383.364 2.421 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccs2)c(Br)c1 ZINC000447025104 649994640 /nfs/dbraw/zinc/99/46/40/649994640.db2.gz BINJNTLWCUPUJS-UHFFFAOYSA-N -1 3 378.229 2.292 20 5 GEBDHM COc1ncnc(OC)c1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000501272135 650389129 /nfs/dbraw/zinc/38/91/29/650389129.db2.gz RBNTZORTVDRBQT-UHFFFAOYSA-N -1 3 383.158 2.417 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000503730575 650421834 /nfs/dbraw/zinc/42/18/34/650421834.db2.gz FOKHJDOXLZJRAC-NXEZZACHSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CCCC2)c(Br)c1 ZINC000472709517 650521693 /nfs/dbraw/zinc/52/16/93/650521693.db2.gz YMGBUGIYQQWMNT-UHFFFAOYSA-N -1 3 393.259 2.188 20 5 GEBDHM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000028053632 642444117 /nfs/dbraw/zinc/44/41/17/642444117.db2.gz UIMGNLWKJHVKLN-UHFFFAOYSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1 ZINC000535141067 650785638 /nfs/dbraw/zinc/78/56/38/650785638.db2.gz FIGMERAFJRDQHU-UHFFFAOYSA-N -1 3 382.829 2.437 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C2CC2)c(Br)c1 ZINC000536330251 650800230 /nfs/dbraw/zinc/80/02/30/650800230.db2.gz RNCUPTIZBOGWRO-WCQYABFASA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCOC1 ZINC000536758475 650807479 /nfs/dbraw/zinc/80/74/79/650807479.db2.gz UDOQWZLZYKDEAK-GFCCVEGCSA-N -1 3 379.232 2.205 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccn2)C1 ZINC000159302431 644185864 /nfs/dbraw/zinc/18/58/64/644185864.db2.gz AMKGGEFWXIARJK-GFCCVEGCSA-N -1 3 382.829 2.200 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCc3ccccc32)c(Cl)c1 ZINC000162154229 644233453 /nfs/dbraw/zinc/23/34/53/644233453.db2.gz ZTGDLTTUBCDPNU-MRXNPFEDSA-N -1 3 382.825 2.361 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(C(N)=O)CCCCC2)c1 ZINC000183562113 644998308 /nfs/dbraw/zinc/99/83/08/644998308.db2.gz IGPBVPVRJLZZLO-UHFFFAOYSA-N -1 3 375.834 2.023 20 5 GEBDHM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265234486 645750883 /nfs/dbraw/zinc/75/08/83/645750883.db2.gz VMIVWGCFLOOWSR-QWRGUYRKSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCCCO)c(C(F)(F)F)c1 ZINC000269783579 646057517 /nfs/dbraw/zinc/05/75/17/646057517.db2.gz LDPNMKBGIIHNQS-UHFFFAOYSA-N -1 3 388.389 2.008 20 5 GEBDHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269805057 646061557 /nfs/dbraw/zinc/06/15/57/646061557.db2.gz LPTGKRZVSBZUFK-LLVKDONJSA-N -1 3 381.248 2.043 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271299592 646188006 /nfs/dbraw/zinc/18/80/06/646188006.db2.gz VVBDWHMTLAEOEJ-NXEZZACHSA-N -1 3 393.259 2.451 20 5 GEBDHM CCS(=O)(=O)c1ccc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])s1 ZINC000280655133 646702643 /nfs/dbraw/zinc/70/26/43/646702643.db2.gz SLSVMRMIPNAOOE-UHFFFAOYSA-N -1 3 386.451 2.454 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c1 ZINC000281160645 646750546 /nfs/dbraw/zinc/75/05/46/646750546.db2.gz LMRMXKGELKMQPF-UHFFFAOYSA-N -1 3 377.825 2.292 20 5 GEBDHM O=C(NCCNc1c(Br)cncc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000301892960 647275848 /nfs/dbraw/zinc/27/58/48/647275848.db2.gz OVTOYHXGVCOVTP-UHFFFAOYSA-N -1 3 381.186 2.300 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]Cc1nc(CO)cs1 ZINC000416478073 648140467 /nfs/dbraw/zinc/14/04/67/648140467.db2.gz YGFRBNSARHHVQS-UHFFFAOYSA-N -1 3 397.356 2.041 20 5 GEBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000416531739 648162382 /nfs/dbraw/zinc/16/23/82/648162382.db2.gz HLIKDOSHBWZAGF-PSASIEDQSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000416531741 648162518 /nfs/dbraw/zinc/16/25/18/648162518.db2.gz HLIKDOSHBWZAGF-WCBMZHEXSA-N -1 3 379.232 2.203 20 5 GEBDHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443274956 648870921 /nfs/dbraw/zinc/87/09/21/648870921.db2.gz XJDAXGQEHXDLTI-LDYMZIIASA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]N=c1sc2ccccc2n1C ZINC000729246998 651564871 /nfs/dbraw/zinc/56/48/71/651564871.db2.gz DQRQUNIWDGHRSM-UHFFFAOYSA-N -1 3 378.435 2.251 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c(F)c1 ZINC000611019623 651700585 /nfs/dbraw/zinc/70/05/85/651700585.db2.gz SNMFDRPWBMMKRL-ZDUSSCGKSA-N -1 3 376.312 2.024 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCCO2)c1 ZINC000742282302 651972696 /nfs/dbraw/zinc/97/26/96/651972696.db2.gz NXRYIIAFZHKEKQ-SNVBAGLBSA-N -1 3 379.232 2.205 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000751401456 652345012 /nfs/dbraw/zinc/34/50/12/652345012.db2.gz ALAOOYUDZBBZLI-JTQLQIEISA-N -1 3 376.740 2.148 20 5 GEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1SC ZINC000592104467 652586174 /nfs/dbraw/zinc/58/61/74/652586174.db2.gz KETUXXSAAFUWMJ-WZRBSPASSA-N -1 3 380.875 2.436 20 5 GEBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1[O-] ZINC000761408309 652646514 /nfs/dbraw/zinc/64/65/14/652646514.db2.gz UBLPLKPUESAMRW-UHFFFAOYSA-N -1 3 383.154 2.082 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@H]23)c(F)c1 ZINC000762531030 652699456 /nfs/dbraw/zinc/69/94/56/652699456.db2.gz VDUZYMKXAMARAD-NTZNESFSSA-N -1 3 378.472 2.392 20 5 GEBDHM CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000595361647 652715251 /nfs/dbraw/zinc/71/52/51/652715251.db2.gz YVAIOYODJZIADY-SNVBAGLBSA-N -1 3 389.861 2.174 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c(Br)c1 ZINC000599481185 652874991 /nfs/dbraw/zinc/87/49/91/652874991.db2.gz AKIRUMPEMJAUIP-BXKDBHETSA-N -1 3 391.243 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000599484029 652875937 /nfs/dbraw/zinc/87/59/37/652875937.db2.gz WTBYFIRQBWZREA-CABZTGNLSA-N -1 3 380.344 2.459 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c([N+](=O)[O-])s1 ZINC000601403563 653092023 /nfs/dbraw/zinc/09/20/23/653092023.db2.gz KTTNTXKEYQNUQK-UHFFFAOYSA-N -1 3 380.341 2.160 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COC2(CCCC2)O1 ZINC000773356377 653196114 /nfs/dbraw/zinc/19/61/14/653196114.db2.gz CBIPMOCVIOVVIE-NSHDSACASA-N -1 3 376.818 2.212 20 5 GEBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000770098635 653197808 /nfs/dbraw/zinc/19/78/08/653197808.db2.gz KTPZBVVFVCITFK-LBPRGKRZSA-N -1 3 378.834 2.255 20 5 GEBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000774799148 653258988 /nfs/dbraw/zinc/25/89/88/653258988.db2.gz RMLHFHSNHHUZHB-BXKDBHETSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@H]23)cc1Cl ZINC000809808689 653297327 /nfs/dbraw/zinc/29/73/27/653297327.db2.gz DQAPEXVLSDZKBH-NWDGAFQWSA-N -1 3 377.825 2.292 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)c(Cl)cc1Cl ZINC000809833619 653306646 /nfs/dbraw/zinc/30/66/46/653306646.db2.gz KODKNHTVTMZOAY-MRVPVSSYSA-N -1 3 391.236 2.391 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(CC2CC2)C1 ZINC000815014646 653643662 /nfs/dbraw/zinc/64/36/62/653643662.db2.gz WEDDMWLEWTWEQB-SNVBAGLBSA-N -1 3 377.825 2.150 20 5 GEBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000841535311 653729251 /nfs/dbraw/zinc/72/92/51/653729251.db2.gz QYCAAXYHQMLIOK-PSASIEDQSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000841575888 653737220 /nfs/dbraw/zinc/73/72/20/653737220.db2.gz ZYGHIZUHXBRCCZ-NXEZZACHSA-N -1 3 393.259 2.187 20 5 GEBDHM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000882591006 653790087 /nfs/dbraw/zinc/79/00/87/653790087.db2.gz ZWAKDJHJPGKJGZ-CZMCAQCFSA-N -1 3 379.232 2.061 20 5 GEBDHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1I ZINC000792611726 653847332 /nfs/dbraw/zinc/84/73/32/653847332.db2.gz JPXPWGAECZARKJ-UHFFFAOYSA-N -1 3 399.144 2.230 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000795206881 653938784 /nfs/dbraw/zinc/93/87/84/653938784.db2.gz UTIQLZIODCVMDJ-VIFPVBQESA-N -1 3 393.849 2.440 20 5 GEBDHM O=c1ccc([N+](=O)[O-])cn1CCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826501690 653952159 /nfs/dbraw/zinc/95/21/59/653952159.db2.gz CBRZNGVSMCKAOX-UHFFFAOYSA-N -1 3 378.801 2.382 20 5 GEBDHM O=c1ccc([N+](=O)[O-])cn1CCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826501690 653952163 /nfs/dbraw/zinc/95/21/63/653952163.db2.gz CBRZNGVSMCKAOX-UHFFFAOYSA-N -1 3 378.801 2.382 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000848465114 653978958 /nfs/dbraw/zinc/97/89/58/653978958.db2.gz LGHOLUJBHUFPEM-JTQLQIEISA-N -1 3 384.435 2.375 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(OC)OC ZINC000849408087 654025618 /nfs/dbraw/zinc/02/56/18/654025618.db2.gz ZVVAHGFNRJIJTA-JTQLQIEISA-N -1 3 397.247 2.033 20 5 GEBDHM COC1CC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000849412401 654026450 /nfs/dbraw/zinc/02/64/50/654026450.db2.gz NAPQGZOZKLCQSN-UHFFFAOYSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)c(Cl)c1 ZINC000849458303 654039974 /nfs/dbraw/zinc/03/99/74/654039974.db2.gz GHBMTNJLIXUEKS-NEPJUHHUSA-N -1 3 382.772 2.341 20 5 GEBDHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798225652 654055013 /nfs/dbraw/zinc/05/50/13/654055013.db2.gz FPGAVPAMAOMJHJ-JTQLQIEISA-N -1 3 379.841 2.398 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1nccn1C ZINC000851856687 654192978 /nfs/dbraw/zinc/19/29/78/654192978.db2.gz YRVXUKAMVGONHD-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)c1 ZINC000921861527 654334359 /nfs/dbraw/zinc/33/43/59/654334359.db2.gz KBGSERLMJCBKGP-GXFFZTMASA-N -1 3 382.360 2.457 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)c1C ZINC000921863270 654335211 /nfs/dbraw/zinc/33/52/11/654335211.db2.gz VXRCAJAZECVHIL-ZWNOBZJWSA-N -1 3 382.360 2.457 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000908411236 654627516 /nfs/dbraw/zinc/62/75/16/654627516.db2.gz QGRILLQYNVPOFM-ZYHUDNBSSA-N -1 3 380.344 2.317 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c1 ZINC000152210048 531536978 /nfs/dbraw/zinc/53/69/78/531536978.db2.gz DMTMHOYHFRWWHY-JGZJWPJOSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2(O)CCCCC2)c1 ZINC000159823238 531796053 /nfs/dbraw/zinc/79/60/53/531796053.db2.gz JDAYEYMEQSNFSY-UHFFFAOYSA-N -1 3 393.259 2.331 20 5 GEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000162163941 531835210 /nfs/dbraw/zinc/83/52/10/531835210.db2.gz DTYYKJIPPOVIDG-NSHDSACASA-N -1 3 392.275 2.120 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC(F)(F)F)c(C(F)(F)F)c1 ZINC000162743067 531850224 /nfs/dbraw/zinc/85/02/24/531850224.db2.gz SQCUNWXNMIPXQK-UHFFFAOYSA-N -1 3 396.265 2.471 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000123174756 532094801 /nfs/dbraw/zinc/09/48/01/532094801.db2.gz ZJDYXTQKTURYDV-UHFFFAOYSA-N -1 3 382.467 2.307 20 5 GEBDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175639883 532110434 /nfs/dbraw/zinc/11/04/34/532110434.db2.gz YMXYYKYZAODUSX-DRNJLYFOSA-N -1 3 378.447 2.092 20 5 GEBDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175639918 532110476 /nfs/dbraw/zinc/11/04/76/532110476.db2.gz YMXYYKYZAODUSX-MFCFXOSFSA-N -1 3 378.447 2.092 20 5 GEBDHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000133066237 532226995 /nfs/dbraw/zinc/22/69/95/532226995.db2.gz XCEAGZWHPKGWLY-UHFFFAOYSA-N -1 3 385.398 2.488 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)c1 ZINC000133963083 532247103 /nfs/dbraw/zinc/24/71/03/532247103.db2.gz YNZBTICLJNQWNP-TVQRCGJNSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1nc(C)c([C@@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180940877 532286314 /nfs/dbraw/zinc/28/63/14/532286314.db2.gz PAVSTMJLXYEORR-SNVBAGLBSA-N -1 3 384.483 2.297 20 5 GEBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000182485958 532313976 /nfs/dbraw/zinc/31/39/76/532313976.db2.gz QDLVAFFZQPQFLL-SECBINFHSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000188382716 532347945 /nfs/dbraw/zinc/34/79/45/532347945.db2.gz IBOAHSVKKOKMRF-ZDUSSCGKSA-N -1 3 384.841 2.439 20 5 GEBDHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000425188396 532370431 /nfs/dbraw/zinc/37/04/31/532370431.db2.gz IQLLTZDGGWSRFF-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM Cc1ccnc2nc(C(=O)[N-]c3cc(Br)cc([N+](=O)[O-])c3)nn21 ZINC000560124099 532415785 /nfs/dbraw/zinc/41/57/85/532415785.db2.gz LROVTUGOEAYZBG-UHFFFAOYSA-N -1 3 377.158 2.356 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594474750 532509264 /nfs/dbraw/zinc/50/92/64/532509264.db2.gz RTOSXBYHFRZNOQ-GFCCVEGCSA-N -1 3 381.435 2.197 20 5 GEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594858938 532535624 /nfs/dbraw/zinc/53/56/24/532535624.db2.gz VJXSYPQMUJFJCJ-ZDUSSCGKSA-N -1 3 378.353 2.095 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000594865302 532538465 /nfs/dbraw/zinc/53/84/65/532538465.db2.gz OSFQKCMHIBORBZ-JTQLQIEISA-N -1 3 382.360 2.301 20 5 GEBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000283465670 532542145 /nfs/dbraw/zinc/54/21/45/532542145.db2.gz GDWSYAHPNASOMC-UHFFFAOYSA-N -1 3 376.797 2.261 20 5 GEBDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000594699556 532520703 /nfs/dbraw/zinc/52/07/03/532520703.db2.gz JOKJJORJAJWQQO-LLVKDONJSA-N -1 3 384.332 2.066 20 5 GEBDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594801266 532531577 /nfs/dbraw/zinc/53/15/77/532531577.db2.gz LZECZHUCLVHTLN-NSHDSACASA-N -1 3 376.406 2.226 20 5 GEBDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000565896382 532583356 /nfs/dbraw/zinc/58/33/56/532583356.db2.gz GQPJROTUUNRODY-JTQLQIEISA-N -1 3 376.818 2.116 20 5 GEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599476697 532661904 /nfs/dbraw/zinc/66/19/04/532661904.db2.gz GRTUPRRXGPKKDH-UHFFFAOYSA-N -1 3 389.861 2.175 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)c(Cl)c1 ZINC000377297132 532649290 /nfs/dbraw/zinc/64/92/90/532649290.db2.gz QFPWKCSXNNRSFT-DOMZBBRYSA-N -1 3 384.797 2.021 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)c(Cl)c1 ZINC000377297133 532649470 /nfs/dbraw/zinc/64/94/70/532649470.db2.gz QFPWKCSXNNRSFT-IUODEOHRSA-N -1 3 384.797 2.021 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)c(Cl)c1 ZINC000377297134 532649570 /nfs/dbraw/zinc/64/95/70/532649570.db2.gz QFPWKCSXNNRSFT-SWLSCSKDSA-N -1 3 384.797 2.021 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[S@@](=O)Cc1ccccc1 ZINC000264620413 532678958 /nfs/dbraw/zinc/67/89/58/532678958.db2.gz NNMVYGNTYVFQRD-XMMPIXPASA-N -1 3 382.463 2.130 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1sccc1C ZINC000542237921 532767896 /nfs/dbraw/zinc/76/78/96/532767896.db2.gz IIIYAUFSRMXVDV-UHFFFAOYSA-N -1 3 384.435 2.272 20 5 GEBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000289835985 532865780 /nfs/dbraw/zinc/86/57/80/532865780.db2.gz LLMFQSGHESZDIU-RXMQYKEDSA-N -1 3 380.213 2.368 20 5 GEBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000289835985 532865783 /nfs/dbraw/zinc/86/57/83/532865783.db2.gz LLMFQSGHESZDIU-RXMQYKEDSA-N -1 3 380.213 2.368 20 5 GEBDHM COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cs1 ZINC000290235640 532875847 /nfs/dbraw/zinc/87/58/47/532875847.db2.gz YLUGYINDAUCDJK-UHFFFAOYSA-N -1 3 375.403 2.124 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2ccnc(OC3CCOCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738370909 598831308 /nfs/dbraw/zinc/83/13/08/598831308.db2.gz SGAKNLUPLXUYJZ-UHFFFAOYSA-N -1 3 397.395 2.340 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2ccnc(OC3CCOCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738370909 598831311 /nfs/dbraw/zinc/83/13/11/598831311.db2.gz SGAKNLUPLXUYJZ-UHFFFAOYSA-N -1 3 397.395 2.340 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737925599 598835128 /nfs/dbraw/zinc/83/51/28/598835128.db2.gz WSMFAOGIJSUFED-UHFFFAOYSA-N -1 3 396.407 2.293 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737925599 598835130 /nfs/dbraw/zinc/83/51/30/598835130.db2.gz WSMFAOGIJSUFED-UHFFFAOYSA-N -1 3 396.407 2.293 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000738367496 598867574 /nfs/dbraw/zinc/86/75/74/598867574.db2.gz SOSLCDANVHVAPT-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000738367496 598867576 /nfs/dbraw/zinc/86/75/76/598867576.db2.gz SOSLCDANVHVAPT-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000737033139 598940178 /nfs/dbraw/zinc/94/01/78/598940178.db2.gz SSNMZOQGMDYCIP-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000737033139 598940179 /nfs/dbraw/zinc/94/01/79/598940179.db2.gz SSNMZOQGMDYCIP-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736758789 599058281 /nfs/dbraw/zinc/05/82/81/599058281.db2.gz IJTBICKCFNEXOX-CYBMUJFWSA-N -1 3 390.354 2.163 20 5 GEBDHM CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736758789 599058284 /nfs/dbraw/zinc/05/82/84/599058284.db2.gz IJTBICKCFNEXOX-CYBMUJFWSA-N -1 3 390.354 2.163 20 5 GEBDHM Cc1cc(F)c(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737261816 599236565 /nfs/dbraw/zinc/23/65/65/599236565.db2.gz ACYFDUJWYGXTGD-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM Cc1cc(F)c(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737261816 599236567 /nfs/dbraw/zinc/23/65/67/599236567.db2.gz ACYFDUJWYGXTGD-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738087889 599245897 /nfs/dbraw/zinc/24/58/97/599245897.db2.gz FJDUIAHFSACZII-UHFFFAOYSA-N -1 3 393.363 2.065 20 5 GEBDHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000737095288 599261648 /nfs/dbraw/zinc/26/16/48/599261648.db2.gz GUVHYWWBJXHGHB-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000737095288 599261651 /nfs/dbraw/zinc/26/16/51/599261651.db2.gz GUVHYWWBJXHGHB-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000822267098 607328177 /nfs/dbraw/zinc/32/81/77/607328177.db2.gz OMFJPCQOPOROHO-UHFFFAOYSA-N -1 3 378.345 2.023 20 5 GEBDHM CN(C)C(=O)c1cccc(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000821579629 607346287 /nfs/dbraw/zinc/34/62/87/607346287.db2.gz ITVMUYZGRZKBOQ-UHFFFAOYSA-N -1 3 381.396 2.131 20 5 GEBDHM O=[N+]([O-])c1cccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000738367601 598243259 /nfs/dbraw/zinc/24/32/59/598243259.db2.gz WFSKHHWWVNYNIJ-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM CC(C)COC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735839226 598245060 /nfs/dbraw/zinc/24/50/60/598245060.db2.gz NQFMVXJLQQYDJZ-UHFFFAOYSA-N -1 3 389.416 2.080 20 5 GEBDHM CC(C)COC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735839226 598245062 /nfs/dbraw/zinc/24/50/62/598245062.db2.gz NQFMVXJLQQYDJZ-UHFFFAOYSA-N -1 3 389.416 2.080 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c(F)c1 ZINC000738370403 598245950 /nfs/dbraw/zinc/24/59/50/598245950.db2.gz PVVDUWRKQPDMME-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM CCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000736637420 598304522 /nfs/dbraw/zinc/30/45/22/598304522.db2.gz OOMLVQSTEMJPQD-UHFFFAOYSA-N -1 3 386.343 2.243 20 5 GEBDHM CCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000736637420 598304523 /nfs/dbraw/zinc/30/45/23/598304523.db2.gz OOMLVQSTEMJPQD-UHFFFAOYSA-N -1 3 386.343 2.243 20 5 GEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC000738368353 598459565 /nfs/dbraw/zinc/45/95/65/598459565.db2.gz CPMJZUFXRIHTLK-UHFFFAOYSA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC000738368353 598459567 /nfs/dbraw/zinc/45/95/67/598459567.db2.gz CPMJZUFXRIHTLK-UHFFFAOYSA-N -1 3 384.375 2.390 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738373364 598467809 /nfs/dbraw/zinc/46/78/09/598467809.db2.gz BBPACIMFKXYNFR-GFCCVEGCSA-N -1 3 395.301 2.334 20 5 GEBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738373364 598467811 /nfs/dbraw/zinc/46/78/11/598467811.db2.gz BBPACIMFKXYNFR-GFCCVEGCSA-N -1 3 395.301 2.334 20 5 GEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738247961 598571133 /nfs/dbraw/zinc/57/11/33/598571133.db2.gz UJDGGCJXWDYESC-MRXNPFEDSA-N -1 3 380.364 2.349 20 5 GEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738247958 598571360 /nfs/dbraw/zinc/57/13/60/598571360.db2.gz UJDGGCJXWDYESC-INIZCTEOSA-N -1 3 380.364 2.349 20 5 GEBDHM O=[N+]([O-])c1ccc(OCCNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000738366571 598587610 /nfs/dbraw/zinc/58/76/10/598587610.db2.gz FECBJWJTECTGFF-UHFFFAOYSA-N -1 3 385.409 2.140 20 5 GEBDHM O=[N+]([O-])c1ccc(OCCNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000738366571 598587612 /nfs/dbraw/zinc/58/76/12/598587612.db2.gz FECBJWJTECTGFF-UHFFFAOYSA-N -1 3 385.409 2.140 20 5 GEBDHM Cc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)nc(C)n1 ZINC000737272989 598672754 /nfs/dbraw/zinc/67/27/54/598672754.db2.gz XPFPMNOWHISPII-CYBMUJFWSA-N -1 3 395.427 2.263 20 5 GEBDHM Cc1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)nc(C)n1 ZINC000737272989 598672755 /nfs/dbraw/zinc/67/27/55/598672755.db2.gz XPFPMNOWHISPII-CYBMUJFWSA-N -1 3 395.427 2.263 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735628461 598676173 /nfs/dbraw/zinc/67/61/73/598676173.db2.gz UVQDYKXZEVIVMM-LLVKDONJSA-N -1 3 375.389 2.196 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735628461 598676174 /nfs/dbraw/zinc/67/61/74/598676174.db2.gz UVQDYKXZEVIVMM-LLVKDONJSA-N -1 3 375.389 2.196 20 5 GEBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736296063 598735670 /nfs/dbraw/zinc/73/56/70/598735670.db2.gz CMIXAGAHQFWSKP-NSHDSACASA-N -1 3 380.364 2.132 20 5 GEBDHM Cc1nn(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000737520205 598756356 /nfs/dbraw/zinc/75/63/56/598756356.db2.gz CKBYDFIZZPMPFS-UHFFFAOYSA-N -1 3 398.427 2.089 20 5 GEBDHM CCN1C[C@@H](CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Oc2ccccc21 ZINC000821241160 599315949 /nfs/dbraw/zinc/31/59/49/599315949.db2.gz KIFPOAADCNFEIH-CQSZACIVSA-N -1 3 395.423 2.499 20 5 GEBDHM CCN1C[C@@H](CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Oc2ccccc21 ZINC000821241160 599315952 /nfs/dbraw/zinc/31/59/52/599315952.db2.gz KIFPOAADCNFEIH-CQSZACIVSA-N -1 3 395.423 2.499 20 5 GEBDHM CN(C)c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588138 599360350 /nfs/dbraw/zinc/36/03/50/599360350.db2.gz CYDWKSVQCKBVHO-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM CN(C)c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588138 599360353 /nfs/dbraw/zinc/36/03/53/599360353.db2.gz CYDWKSVQCKBVHO-UHFFFAOYSA-N -1 3 391.395 2.396 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000822135477 599360619 /nfs/dbraw/zinc/36/06/19/599360619.db2.gz BLXWZKDQPPCFCK-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000822135477 599360620 /nfs/dbraw/zinc/36/06/20/599360620.db2.gz BLXWZKDQPPCFCK-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM COc1cc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000821720510 599514058 /nfs/dbraw/zinc/51/40/58/599514058.db2.gz UFAQZNXLZPRYIM-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@@H](C(F)(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644672 599567720 /nfs/dbraw/zinc/56/77/20/599567720.db2.gz KBSCTRPKZWHMMX-GFCCVEGCSA-N -1 3 395.301 2.091 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@@H](C(F)(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644672 599567722 /nfs/dbraw/zinc/56/77/22/599567722.db2.gz KBSCTRPKZWHMMX-GFCCVEGCSA-N -1 3 395.301 2.091 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@H](C(F)(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644673 599567860 /nfs/dbraw/zinc/56/78/60/599567860.db2.gz KBSCTRPKZWHMMX-LBPRGKRZSA-N -1 3 395.301 2.091 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCO[C@H](C(F)(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644673 599567861 /nfs/dbraw/zinc/56/78/61/599567861.db2.gz KBSCTRPKZWHMMX-LBPRGKRZSA-N -1 3 395.301 2.091 20 5 GEBDHM CN(CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000821594066 599670847 /nfs/dbraw/zinc/67/08/47/599670847.db2.gz XHINOYQIBWGTII-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM CN(CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000821594066 599670848 /nfs/dbraw/zinc/67/08/48/599670848.db2.gz XHINOYQIBWGTII-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826417936 607415090 /nfs/dbraw/zinc/41/50/90/607415090.db2.gz LMGCJWYPEGWSOW-UHFFFAOYSA-N -1 3 398.354 2.098 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826417936 607415091 /nfs/dbraw/zinc/41/50/91/607415091.db2.gz LMGCJWYPEGWSOW-UHFFFAOYSA-N -1 3 398.354 2.098 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000826250064 607431176 /nfs/dbraw/zinc/43/11/76/607431176.db2.gz IXQLMOXMEOMSHZ-UHFFFAOYSA-N -1 3 396.363 2.497 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000826250064 607431177 /nfs/dbraw/zinc/43/11/77/607431177.db2.gz IXQLMOXMEOMSHZ-UHFFFAOYSA-N -1 3 396.363 2.497 20 5 GEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823547661 607455366 /nfs/dbraw/zinc/45/53/66/607455366.db2.gz MQVJSGVUVSQKJY-RIYZIHGNSA-N -1 3 380.295 2.259 20 5 GEBDHM O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823547661 607455367 /nfs/dbraw/zinc/45/53/67/607455367.db2.gz MQVJSGVUVSQKJY-RIYZIHGNSA-N -1 3 380.295 2.259 20 5 GEBDHM COc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000821728717 607470008 /nfs/dbraw/zinc/47/00/08/607470008.db2.gz YQVIKSKWDANUDV-VIFPVBQESA-N -1 3 383.368 2.114 20 5 GEBDHM COc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000821728717 607470009 /nfs/dbraw/zinc/47/00/09/607470009.db2.gz YQVIKSKWDANUDV-VIFPVBQESA-N -1 3 383.368 2.114 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H](O)C(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000826499598 607520225 /nfs/dbraw/zinc/52/02/25/607520225.db2.gz OWXMTUDOJRSSCH-NSHDSACASA-N -1 3 383.290 2.048 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H](O)C(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000826499598 607520228 /nfs/dbraw/zinc/52/02/28/607520228.db2.gz OWXMTUDOJRSSCH-NSHDSACASA-N -1 3 383.290 2.048 20 5 GEBDHM COC(=O)C1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000826123346 607521379 /nfs/dbraw/zinc/52/13/79/607521379.db2.gz DHIHYUZEHGAHCK-UHFFFAOYSA-N -1 3 397.395 2.468 20 5 GEBDHM COC(=O)C1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000826123346 607521381 /nfs/dbraw/zinc/52/13/81/607521381.db2.gz DHIHYUZEHGAHCK-UHFFFAOYSA-N -1 3 397.395 2.468 20 5 GEBDHM O=C([O-])[C@@]1(NC(=O)c2ccccc2[N+](=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833128455 601741299 /nfs/dbraw/zinc/74/12/99/601741299.db2.gz GSAGPTXUUKQYGO-HXUWFJFHSA-N -1 3 383.404 2.444 20 5 GEBDHM O=C([O-])NC1(CN[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCCC1 ZINC000740548336 602710325 /nfs/dbraw/zinc/71/03/25/602710325.db2.gz QRFXZQKHKVLEDR-OAHLLOKOSA-N -1 3 376.413 2.260 20 5 GEBDHM CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825631499 607583879 /nfs/dbraw/zinc/58/38/79/607583879.db2.gz BMIYXJZCMYWIBS-UHFFFAOYSA-N -1 3 398.379 2.112 20 5 GEBDHM CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825631499 607583881 /nfs/dbraw/zinc/58/38/81/607583881.db2.gz BMIYXJZCMYWIBS-UHFFFAOYSA-N -1 3 398.379 2.112 20 5 GEBDHM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000739010542 602991368 /nfs/dbraw/zinc/99/13/68/602991368.db2.gz OHKRRNMCWYGXHZ-OCCSQVGLSA-N -1 3 392.412 2.403 20 5 GEBDHM COc1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826200873 607612023 /nfs/dbraw/zinc/61/20/23/607612023.db2.gz NIUIXPNDAGCZJL-UHFFFAOYSA-N -1 3 386.343 2.161 20 5 GEBDHM COc1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826200873 607612025 /nfs/dbraw/zinc/61/20/25/607612025.db2.gz NIUIXPNDAGCZJL-UHFFFAOYSA-N -1 3 386.343 2.161 20 5 GEBDHM Cc1cnc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c([N+](=O)[O-])c1 ZINC000822399652 606020261 /nfs/dbraw/zinc/02/02/61/606020261.db2.gz MCDDIXPLZPDVNT-UHFFFAOYSA-N -1 3 380.324 2.107 20 5 GEBDHM Cc1cnc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c([N+](=O)[O-])c1 ZINC000822399652 606020266 /nfs/dbraw/zinc/02/02/66/606020266.db2.gz MCDDIXPLZPDVNT-UHFFFAOYSA-N -1 3 380.324 2.107 20 5 GEBDHM COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000821720886 606136269 /nfs/dbraw/zinc/13/62/69/606136269.db2.gz ZFVXTZGWBJVULN-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000821720886 606136270 /nfs/dbraw/zinc/13/62/70/606136270.db2.gz ZFVXTZGWBJVULN-UHFFFAOYSA-N -1 3 399.386 2.249 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCc2nnc(-c3ccccc3)o2)c(-c2nnn[n-]2)c1 ZINC000823640182 606174813 /nfs/dbraw/zinc/17/48/13/606174813.db2.gz WTOSTQOEQZLMOL-UHFFFAOYSA-N -1 3 378.352 2.480 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCc2nnc(-c3ccccc3)o2)c(-c2nn[n-]n2)c1 ZINC000823640182 606174815 /nfs/dbraw/zinc/17/48/15/606174815.db2.gz WTOSTQOEQZLMOL-UHFFFAOYSA-N -1 3 378.352 2.480 20 5 GEBDHM Cc1nc2n(n1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822463396 606228139 /nfs/dbraw/zinc/22/81/39/606228139.db2.gz PXQQXZRICXCGCE-CQSZACIVSA-N -1 3 392.383 2.170 20 5 GEBDHM Cc1nc2n(n1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822463396 606228140 /nfs/dbraw/zinc/22/81/40/606228140.db2.gz PXQQXZRICXCGCE-CQSZACIVSA-N -1 3 392.383 2.170 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820500028 606230293 /nfs/dbraw/zinc/23/02/93/606230293.db2.gz BTCYOUPLLCIVDU-MRVPVSSYSA-N -1 3 396.323 2.071 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820500028 606230295 /nfs/dbraw/zinc/23/02/95/606230295.db2.gz BTCYOUPLLCIVDU-MRVPVSSYSA-N -1 3 396.323 2.071 20 5 GEBDHM CCN(C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000821197907 606240110 /nfs/dbraw/zinc/24/01/10/606240110.db2.gz OAZNGWPPDVBMFJ-NSHDSACASA-N -1 3 399.377 2.485 20 5 GEBDHM CCN(C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000821197907 606240112 /nfs/dbraw/zinc/24/01/12/606240112.db2.gz OAZNGWPPDVBMFJ-NSHDSACASA-N -1 3 399.377 2.485 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640263 606301039 /nfs/dbraw/zinc/30/10/39/606301039.db2.gz DWCAGIWHOOVRSI-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640263 606301041 /nfs/dbraw/zinc/30/10/41/606301041.db2.gz DWCAGIWHOOVRSI-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648718 606364465 /nfs/dbraw/zinc/36/44/65/606364465.db2.gz QPGJPEFIOOOFSZ-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648718 606364466 /nfs/dbraw/zinc/36/44/66/606364466.db2.gz QPGJPEFIOOOFSZ-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823044009 606372426 /nfs/dbraw/zinc/37/24/26/606372426.db2.gz OPVGDZYHMKZGAP-UHFFFAOYSA-N -1 3 396.319 2.038 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000823044009 606372427 /nfs/dbraw/zinc/37/24/27/606372427.db2.gz OPVGDZYHMKZGAP-UHFFFAOYSA-N -1 3 396.319 2.038 20 5 GEBDHM Cc1ccc([C@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228890 606449251 /nfs/dbraw/zinc/44/92/51/606449251.db2.gz HXXGIKJVABUOPE-LBPRGKRZSA-N -1 3 382.380 2.340 20 5 GEBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000823103280 606499247 /nfs/dbraw/zinc/49/92/47/606499247.db2.gz CPLZZKFWYUMOJR-UHFFFAOYSA-N -1 3 396.363 2.117 20 5 GEBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000823103280 606499249 /nfs/dbraw/zinc/49/92/49/606499249.db2.gz CPLZZKFWYUMOJR-UHFFFAOYSA-N -1 3 396.363 2.117 20 5 GEBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440389 606563504 /nfs/dbraw/zinc/56/35/04/606563504.db2.gz QTNQMBDSIAPZHQ-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440389 606563505 /nfs/dbraw/zinc/56/35/05/606563505.db2.gz QTNQMBDSIAPZHQ-UHFFFAOYSA-N -1 3 399.348 2.243 20 5 GEBDHM Cc1ccc(NCCCNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822254326 606570067 /nfs/dbraw/zinc/57/00/67/606570067.db2.gz HBSQGAWQWOHEEE-UHFFFAOYSA-N -1 3 395.423 2.244 20 5 GEBDHM Cc1ccc(NCCCNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822254326 606570069 /nfs/dbraw/zinc/57/00/69/606570069.db2.gz HBSQGAWQWOHEEE-UHFFFAOYSA-N -1 3 395.423 2.244 20 5 GEBDHM CC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820915307 606588508 /nfs/dbraw/zinc/58/85/08/606588508.db2.gz VCRCBHLEGJFXDI-INIZCTEOSA-N -1 3 381.396 2.454 20 5 GEBDHM C[C@@H]1CN(C(C)(C)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000820742889 606644729 /nfs/dbraw/zinc/64/47/29/606644729.db2.gz NGMJWDKIGZKBHO-VXGBXAGGSA-N -1 3 375.433 2.075 20 5 GEBDHM O=C(CCC1CCCC1)N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000822950278 606645130 /nfs/dbraw/zinc/64/51/30/606645130.db2.gz IFLFCSKDGGWXSG-UHFFFAOYSA-N -1 3 399.455 2.394 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823648615 606739151 /nfs/dbraw/zinc/73/91/51/606739151.db2.gz YVEUYAGIWWOUOW-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823648615 606739153 /nfs/dbraw/zinc/73/91/53/606739153.db2.gz YVEUYAGIWWOUOW-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1OC ZINC000821400554 606761438 /nfs/dbraw/zinc/76/14/38/606761438.db2.gz LEVILSFIIASINL-UHFFFAOYSA-N -1 3 384.352 2.435 20 5 GEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1OC ZINC000821400554 606761440 /nfs/dbraw/zinc/76/14/40/606761440.db2.gz LEVILSFIIASINL-UHFFFAOYSA-N -1 3 384.352 2.435 20 5 GEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000823639690 606793947 /nfs/dbraw/zinc/79/39/47/606793947.db2.gz FSSFUZVUECAQAC-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000823639690 606793949 /nfs/dbraw/zinc/79/39/49/606793949.db2.gz FSSFUZVUECAQAC-UHFFFAOYSA-N -1 3 395.784 2.337 20 5 GEBDHM CCOC(=O)c1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821337971 606938264 /nfs/dbraw/zinc/93/82/64/606938264.db2.gz RXPVOYUZJNQUBL-UHFFFAOYSA-N -1 3 398.379 2.443 20 5 GEBDHM CN(CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000821594035 607001832 /nfs/dbraw/zinc/00/18/32/607001832.db2.gz WBIKVTQFAZPTBJ-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM CN(CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000821594035 607001834 /nfs/dbraw/zinc/00/18/34/607001834.db2.gz WBIKVTQFAZPTBJ-UHFFFAOYSA-N -1 3 386.343 2.094 20 5 GEBDHM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823392758 607134268 /nfs/dbraw/zinc/13/42/68/607134268.db2.gz TXQZFAXKZUMNKE-KGLIPLIRSA-N -1 3 383.368 2.312 20 5 GEBDHM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823392758 607134270 /nfs/dbraw/zinc/13/42/70/607134270.db2.gz TXQZFAXKZUMNKE-KGLIPLIRSA-N -1 3 383.368 2.312 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821487830 607142357 /nfs/dbraw/zinc/14/23/57/607142357.db2.gz YPXPPDAHRJABPP-UHFFFAOYSA-N -1 3 393.356 2.244 20 5 GEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821487830 607142358 /nfs/dbraw/zinc/14/23/58/607142358.db2.gz YPXPPDAHRJABPP-UHFFFAOYSA-N -1 3 393.356 2.244 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823635329 607143440 /nfs/dbraw/zinc/14/34/40/607143440.db2.gz VVRRQJULIRYBIH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823635329 607143442 /nfs/dbraw/zinc/14/34/42/607143442.db2.gz VVRRQJULIRYBIH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825999360 607846843 /nfs/dbraw/zinc/84/68/43/607846843.db2.gz YAXXSNNPFDQZDZ-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825999360 607846844 /nfs/dbraw/zinc/84/68/44/607846844.db2.gz YAXXSNNPFDQZDZ-UHFFFAOYSA-N -1 3 377.368 2.127 20 5 GEBDHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826322496 607869087 /nfs/dbraw/zinc/86/90/87/607869087.db2.gz PCOCMQGHZQTXSN-INIZCTEOSA-N -1 3 392.379 2.075 20 5 GEBDHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826322496 607869088 /nfs/dbraw/zinc/86/90/88/607869088.db2.gz PCOCMQGHZQTXSN-INIZCTEOSA-N -1 3 392.379 2.075 20 5 GEBDHM Cc1ccc(C)c(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826285169 607869598 /nfs/dbraw/zinc/86/95/98/607869598.db2.gz RDBPBGWCRWRKHM-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1ccc(C)c(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826285169 607869599 /nfs/dbraw/zinc/86/95/99/607869599.db2.gz RDBPBGWCRWRKHM-AWEZNQCLSA-N -1 3 385.380 2.210 20 5 GEBDHM CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372411 607878709 /nfs/dbraw/zinc/87/87/09/607878709.db2.gz XMCQFMUTSCHRBK-UHFFFAOYSA-N -1 3 390.791 2.068 20 5 GEBDHM CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372411 607878710 /nfs/dbraw/zinc/87/87/10/607878710.db2.gz XMCQFMUTSCHRBK-UHFFFAOYSA-N -1 3 390.791 2.068 20 5 GEBDHM O=C1C[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479417 607969087 /nfs/dbraw/zinc/96/90/87/607969087.db2.gz XWFOWFRKZMDACU-CQSZACIVSA-N -1 3 393.407 2.236 20 5 GEBDHM O=C1C[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000826479417 607969088 /nfs/dbraw/zinc/96/90/88/607969088.db2.gz XWFOWFRKZMDACU-CQSZACIVSA-N -1 3 393.407 2.236 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826293669 608086196 /nfs/dbraw/zinc/08/61/96/608086196.db2.gz XSWTZDCBLZGEQM-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826293669 608086197 /nfs/dbraw/zinc/08/61/97/608086197.db2.gz XSWTZDCBLZGEQM-KRWDZBQOSA-N -1 3 394.391 2.297 20 5 GEBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826470311 608090089 /nfs/dbraw/zinc/09/00/89/608090089.db2.gz LSVVJJGLHSIKMK-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826470311 608090090 /nfs/dbraw/zinc/09/00/90/608090090.db2.gz LSVVJJGLHSIKMK-INIZCTEOSA-N -1 3 398.354 2.128 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2cnn(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000826499333 608109983 /nfs/dbraw/zinc/10/99/83/608109983.db2.gz FCECQKKWYNXGNT-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2cnn(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826499333 608109984 /nfs/dbraw/zinc/10/99/84/608109984.db2.gz FCECQKKWYNXGNT-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826161477 608138218 /nfs/dbraw/zinc/13/82/18/608138218.db2.gz KIBBMHWXPXBJFV-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826161477 608138219 /nfs/dbraw/zinc/13/82/19/608138219.db2.gz KIBBMHWXPXBJFV-UHFFFAOYSA-N -1 3 398.379 2.361 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833429 608158611 /nfs/dbraw/zinc/15/86/11/608158611.db2.gz HUORBIIABAOJSC-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833429 608158613 /nfs/dbraw/zinc/15/86/13/608158613.db2.gz HUORBIIABAOJSC-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000826442065 608165445 /nfs/dbraw/zinc/16/54/45/608165445.db2.gz HXTWTPDDLMWVJS-UHFFFAOYSA-N -1 3 396.392 2.157 20 5 GEBDHM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000826442065 608165446 /nfs/dbraw/zinc/16/54/46/608165446.db2.gz HXTWTPDDLMWVJS-UHFFFAOYSA-N -1 3 396.392 2.157 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCO[C@@]4(CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499444 608198697 /nfs/dbraw/zinc/19/86/97/608198697.db2.gz IXBFCBMYHGXSFI-ZMZPIMSZSA-N -1 3 397.395 2.073 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCO[C@@]4(CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499444 608198699 /nfs/dbraw/zinc/19/86/99/608198699.db2.gz IXBFCBMYHGXSFI-ZMZPIMSZSA-N -1 3 397.395 2.073 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826455363 608201791 /nfs/dbraw/zinc/20/17/91/608201791.db2.gz KTSGXOFPWSRFQY-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826455363 608201792 /nfs/dbraw/zinc/20/17/92/608201792.db2.gz KTSGXOFPWSRFQY-UHFFFAOYSA-N -1 3 390.157 2.185 20 5 GEBDHM Cc1cccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1[N+](=O)[O-] ZINC000826300334 608340671 /nfs/dbraw/zinc/34/06/71/608340671.db2.gz QPHXCRFLKHLYDA-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1cccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC000826300334 608340673 /nfs/dbraw/zinc/34/06/73/608340673.db2.gz QPHXCRFLKHLYDA-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000826171576 608363325 /nfs/dbraw/zinc/36/33/25/608363325.db2.gz RIEOFONHDPQKJM-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000826171576 608363326 /nfs/dbraw/zinc/36/33/26/608363326.db2.gz RIEOFONHDPQKJM-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824530676 608391719 /nfs/dbraw/zinc/39/17/19/608391719.db2.gz MSSFGPJDLZALPH-RYUDHWBXSA-N -1 3 381.396 2.453 20 5 GEBDHM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824530676 608391721 /nfs/dbraw/zinc/39/17/21/608391721.db2.gz MSSFGPJDLZALPH-RYUDHWBXSA-N -1 3 381.396 2.453 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826112393 608392698 /nfs/dbraw/zinc/39/26/98/608392698.db2.gz ZHAZHYQZXSGDJJ-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826112393 608392699 /nfs/dbraw/zinc/39/26/99/608392699.db2.gz ZHAZHYQZXSGDJJ-ZBEGNZNMSA-N -1 3 382.380 2.340 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826174667 608549028 /nfs/dbraw/zinc/54/90/28/608549028.db2.gz FNVFUZXFNNVIPD-NSHDSACASA-N -1 3 398.379 2.040 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826174667 608549030 /nfs/dbraw/zinc/54/90/30/608549030.db2.gz FNVFUZXFNNVIPD-NSHDSACASA-N -1 3 398.379 2.040 20 5 GEBDHM O=[N+]([O-])c1cccnc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826500932 608557253 /nfs/dbraw/zinc/55/72/53/608557253.db2.gz SACHIGPBOXSGIW-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM O=[N+]([O-])c1cccnc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826500932 608557255 /nfs/dbraw/zinc/55/72/55/608557255.db2.gz SACHIGPBOXSGIW-UHFFFAOYSA-N -1 3 382.384 2.367 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826418035 608572214 /nfs/dbraw/zinc/57/22/14/608572214.db2.gz PAIWUGHBKFLNSW-UHFFFAOYSA-N -1 3 395.379 2.066 20 5 GEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826418035 608572215 /nfs/dbraw/zinc/57/22/15/608572215.db2.gz PAIWUGHBKFLNSW-UHFFFAOYSA-N -1 3 395.379 2.066 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000826497283 608668244 /nfs/dbraw/zinc/66/82/44/608668244.db2.gz AVVYTYVJRKZROK-GFCCVEGCSA-N -1 3 381.400 2.085 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000826497283 608668246 /nfs/dbraw/zinc/66/82/46/608668246.db2.gz AVVYTYVJRKZROK-GFCCVEGCSA-N -1 3 381.400 2.085 20 5 GEBDHM C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824670466 608771162 /nfs/dbraw/zinc/77/11/62/608771162.db2.gz PBBWRHZJSSPTHY-QMMMGPOBSA-N -1 3 394.438 2.413 20 5 GEBDHM C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824670466 608771166 /nfs/dbraw/zinc/77/11/66/608771166.db2.gz PBBWRHZJSSPTHY-QMMMGPOBSA-N -1 3 394.438 2.413 20 5 GEBDHM C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824670465 608771508 /nfs/dbraw/zinc/77/15/08/608771508.db2.gz PBBWRHZJSSPTHY-MRVPVSSYSA-N -1 3 394.438 2.413 20 5 GEBDHM C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824670465 608771509 /nfs/dbraw/zinc/77/15/09/608771509.db2.gz PBBWRHZJSSPTHY-MRVPVSSYSA-N -1 3 394.438 2.413 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826272727 609163685 /nfs/dbraw/zinc/16/36/85/609163685.db2.gz YHPIVSVYAWGEPH-UHFFFAOYSA-N -1 3 399.363 2.084 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826272727 609163686 /nfs/dbraw/zinc/16/36/86/609163686.db2.gz YHPIVSVYAWGEPH-UHFFFAOYSA-N -1 3 399.363 2.084 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826501116 609321394 /nfs/dbraw/zinc/32/13/94/609321394.db2.gz ZWTVBYKCYCKYJJ-UHFFFAOYSA-N -1 3 390.747 2.386 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826501116 609321396 /nfs/dbraw/zinc/32/13/96/609321396.db2.gz ZWTVBYKCYCKYJJ-UHFFFAOYSA-N -1 3 390.747 2.386 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC000781935215 609370639 /nfs/dbraw/zinc/37/06/39/609370639.db2.gz OEEOOLXLQJEJTP-UHFFFAOYSA-N -1 3 383.324 2.254 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC000781935215 609370642 /nfs/dbraw/zinc/37/06/42/609370642.db2.gz OEEOOLXLQJEJTP-UHFFFAOYSA-N -1 3 383.324 2.254 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826263784 609383114 /nfs/dbraw/zinc/38/31/14/609383114.db2.gz QNEHATXLYQZEOZ-UHFFFAOYSA-N -1 3 394.439 2.109 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1csc([N+](=O)[O-])c1 ZINC000826162792 609484571 /nfs/dbraw/zinc/48/45/71/609484571.db2.gz RZSZDNPWRXRIGW-UHFFFAOYSA-N -1 3 376.398 2.474 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1csc([N+](=O)[O-])c1 ZINC000826162792 609484574 /nfs/dbraw/zinc/48/45/74/609484574.db2.gz RZSZDNPWRXRIGW-UHFFFAOYSA-N -1 3 376.398 2.474 20 5 GEBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826500571 609533463 /nfs/dbraw/zinc/53/34/63/609533463.db2.gz CGAZKWNFIWJDEJ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826500571 609533465 /nfs/dbraw/zinc/53/34/65/609533465.db2.gz CGAZKWNFIWJDEJ-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncccc2F)c(Cl)c1 ZINC000446920767 649990562 /nfs/dbraw/zinc/99/05/62/649990562.db2.gz OFZWLZVSFWZWKU-UHFFFAOYSA-N -1 3 375.765 2.140 20 5 GEBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000447019972 649994381 /nfs/dbraw/zinc/99/43/81/649994381.db2.gz ZOQGWGSKWBXZRF-NSHDSACASA-N -1 3 381.248 2.307 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cscn2)c(Br)c1 ZINC000447030003 649995234 /nfs/dbraw/zinc/99/52/34/649995234.db2.gz MWBWPEWHRZZZBQ-UHFFFAOYSA-N -1 3 378.229 2.292 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2(CF)CCOCC2)c1 ZINC000451730902 650136740 /nfs/dbraw/zinc/13/67/40/650136740.db2.gz AKDDLOCNIFVJSZ-UHFFFAOYSA-N -1 3 397.222 2.154 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c(Br)c1 ZINC000451895408 650150839 /nfs/dbraw/zinc/15/08/39/650150839.db2.gz XKVRZQHOHHFZQM-LBPRGKRZSA-N -1 3 391.243 2.205 20 5 GEBDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000462133369 650470524 /nfs/dbraw/zinc/47/05/24/650470524.db2.gz YSHZTQXMJVSLLD-CYBMUJFWSA-N -1 3 393.259 2.451 20 5 GEBDHM C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000510732372 650518284 /nfs/dbraw/zinc/51/82/84/650518284.db2.gz PTMOLWOOJAAVGX-DEOSSOPVSA-N -1 3 386.426 2.091 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000510560514 650514338 /nfs/dbraw/zinc/51/43/38/650514338.db2.gz RWOIXZBDCYGLFM-UHFFFAOYSA-N -1 3 382.316 2.002 20 5 GEBDHM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000510716550 650517745 /nfs/dbraw/zinc/51/77/45/650517745.db2.gz KNDZYIUBSFGDLR-QMTHXVAHSA-N -1 3 389.861 2.220 20 5 GEBDHM Cc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000511429500 650536847 /nfs/dbraw/zinc/53/68/47/650536847.db2.gz NEWKONWCTHDZCY-UHFFFAOYSA-N -1 3 379.316 2.431 20 5 GEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000480861624 650635165 /nfs/dbraw/zinc/63/51/65/650635165.db2.gz GFOBHPAQCAOSCZ-LBPRGKRZSA-N -1 3 395.275 2.431 20 5 GEBDHM COC(=O)c1cc(C(=O)[N-]c2sccc2S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000524835469 650646838 /nfs/dbraw/zinc/64/68/38/650646838.db2.gz IORYIGFIHQPGJK-UHFFFAOYSA-N -1 3 384.391 2.099 20 5 GEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000121131854 643629193 /nfs/dbraw/zinc/62/91/93/643629193.db2.gz BAYVDPHIILUAFX-CYBMUJFWSA-N -1 3 376.843 2.496 20 5 GEBDHM Cc1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])ccc1Br ZINC000125563637 643709137 /nfs/dbraw/zinc/70/91/37/643709137.db2.gz PDHLWVJGAKNMPV-UHFFFAOYSA-N -1 3 387.215 2.366 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 ZINC000127241367 643765500 /nfs/dbraw/zinc/76/55/00/643765500.db2.gz JJPVGZRWTXXJAQ-MRVPVSSYSA-N -1 3 387.767 2.163 20 5 GEBDHM CC(C)(C(=O)NCc1ccc([O-])c(Br)c1)n1cc([N+](=O)[O-])cn1 ZINC000156561287 644103336 /nfs/dbraw/zinc/10/33/36/644103336.db2.gz HWVOGXRCNJOWBE-UHFFFAOYSA-N -1 3 383.202 2.311 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc21 ZINC000162187235 644233444 /nfs/dbraw/zinc/23/34/44/644233444.db2.gz SXUPYLOBMAYSHZ-INIZCTEOSA-N -1 3 382.825 2.361 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c(Br)c1 ZINC000544115754 650934456 /nfs/dbraw/zinc/93/44/56/650934456.db2.gz WYPNSSGZPNWCAL-VIFPVBQESA-N -1 3 379.232 2.062 20 5 GEBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000544844679 650956099 /nfs/dbraw/zinc/95/60/99/650956099.db2.gz YZCWSHQRHPBAFL-MRVPVSSYSA-N -1 3 384.332 2.391 20 5 GEBDHM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265234481 645750913 /nfs/dbraw/zinc/75/09/13/645750913.db2.gz VMIVWGCFLOOWSR-GHMZBOCLSA-N -1 3 389.861 2.174 20 5 GEBDHM COC(=O)CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269501371 646041751 /nfs/dbraw/zinc/04/17/51/646041751.db2.gz XCBXKFJNDNFYHH-UHFFFAOYSA-N -1 3 384.332 2.235 20 5 GEBDHM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269499838 646041831 /nfs/dbraw/zinc/04/18/31/646041831.db2.gz WOPVIXPMKZXHSR-SECBINFHSA-N -1 3 378.332 2.177 20 5 GEBDHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269850476 646067464 /nfs/dbraw/zinc/06/74/64/646067464.db2.gz ZPWASSDGYUESLJ-IUCAKERBSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1[C@@H](C)O ZINC000272155959 646258131 /nfs/dbraw/zinc/25/81/31/646258131.db2.gz YDUSQQKKBBJZCT-SNVBAGLBSA-N -1 3 385.829 2.483 20 5 GEBDHM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)cn1 ZINC000376354490 647843011 /nfs/dbraw/zinc/84/30/11/647843011.db2.gz QNTCKDMTZASXCL-HNNXBMFYSA-N -1 3 378.435 2.458 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000389854024 647891832 /nfs/dbraw/zinc/89/18/32/647891832.db2.gz CNLJWSYXBJGYQJ-SECBINFHSA-N -1 3 378.353 2.095 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1 ZINC000416409654 648115449 /nfs/dbraw/zinc/11/54/49/648115449.db2.gz VNYSNYFVOOWZFO-GXSJLCMTSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1 ZINC000416409656 648115577 /nfs/dbraw/zinc/11/55/77/648115577.db2.gz VNYSNYFVOOWZFO-MWLCHTKSSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410346 648116322 /nfs/dbraw/zinc/11/63/22/648116322.db2.gz XDXFMXKYDVOQTK-CHWSQXEVSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486156 648144663 /nfs/dbraw/zinc/14/46/63/648144663.db2.gz DGYUAOAINSIOGG-NOZJJQNGSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)O1 ZINC000416611610 648187402 /nfs/dbraw/zinc/18/74/02/648187402.db2.gz YBDAABPWMWOYPO-OPRDCNLKSA-N -1 3 393.259 2.449 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c(Br)c1 ZINC000416642428 648198679 /nfs/dbraw/zinc/19/86/79/648198679.db2.gz CHYFVNHAFPAIGZ-NXEZZACHSA-N -1 3 393.259 2.187 20 5 GEBDHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000431849066 648772696 /nfs/dbraw/zinc/77/26/96/648772696.db2.gz QDKPDKWUCZYUMU-IINYFYTJSA-N -1 3 384.435 2.485 20 5 GEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000612684545 651765411 /nfs/dbraw/zinc/76/54/11/651765411.db2.gz SZKPEHCXKVWFEC-RBSFLKMASA-N -1 3 390.845 2.253 20 5 GEBDHM CC[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000616461388 651901914 /nfs/dbraw/zinc/90/19/14/651901914.db2.gz ZJUPCMVTTKXYIU-LBPRGKRZSA-N -1 3 379.232 2.205 20 5 GEBDHM CC(C)(C)OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742285128 651973271 /nfs/dbraw/zinc/97/32/71/651973271.db2.gz MNLOMLROEYAEFE-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c(Br)c1 ZINC000576743625 652141904 /nfs/dbraw/zinc/14/19/04/652141904.db2.gz PISDFXVCRNYDQG-LBPRGKRZSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000751436921 652349689 /nfs/dbraw/zinc/34/96/89/652349689.db2.gz DCZIRQILUFSIDL-CYBMUJFWSA-N -1 3 376.843 2.496 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OC1CCCCC1 ZINC000751979045 652374607 /nfs/dbraw/zinc/37/46/07/652374607.db2.gz ZHSDEWPBYYJNFV-UHFFFAOYSA-N -1 3 376.818 2.402 20 5 GEBDHM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000758420708 652540696 /nfs/dbraw/zinc/54/06/96/652540696.db2.gz FDISZRQKIQYYDF-VIFPVBQESA-N -1 3 381.248 2.044 20 5 GEBDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000588129797 652548249 /nfs/dbraw/zinc/54/82/49/652548249.db2.gz XPZIQWGSXQQPCF-UHFFFAOYSA-N -1 3 390.830 2.142 20 5 GEBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000588272575 652551387 /nfs/dbraw/zinc/55/13/87/652551387.db2.gz 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CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000831975458 654221717 /nfs/dbraw/zinc/22/17/17/654221717.db2.gz DDTXRVUMFLODTH-AWEZNQCLSA-N -1 3 391.877 2.338 20 5 GEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921856612 654332521 /nfs/dbraw/zinc/33/25/21/654332521.db2.gz NFXGXCHDHQLEBL-GXFFZTMASA-N -1 3 382.360 2.457 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2COC[C@@H]2C2CC2)c1 ZINC000908406713 654626880 /nfs/dbraw/zinc/62/68/80/654626880.db2.gz CLXVVFMGRCHHNN-PWSUYJOCSA-N -1 3 391.243 2.061 20 5 GEBDHM CSc1ccc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008169615 531545667 /nfs/dbraw/zinc/54/56/67/531545667.db2.gz CNVIFAZFRLFXBA-UHFFFAOYSA-N -1 3 381.479 2.385 20 5 GEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000152498854 531555610 /nfs/dbraw/zinc/55/56/10/531555610.db2.gz YMPZJIRPVWMTDB-UHFFFAOYSA-N -1 3 377.300 2.411 20 5 GEBDHM CN(C)S(=O)(=O)c1ccc([N-]c2ccn(CC(F)F)n2)c([N+](=O)[O-])c1 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CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000180173182 532259936 /nfs/dbraw/zinc/25/99/36/532259936.db2.gz GNRJOJLWOXYREB-UHFFFAOYSA-N -1 3 388.833 2.031 20 5 GEBDHM Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188273263 532347598 /nfs/dbraw/zinc/34/75/98/532347598.db2.gz CUFAGKZOJBCWFY-ZDUSSCGKSA-N -1 3 384.841 2.439 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)ccc1Br ZINC000188928100 532350197 /nfs/dbraw/zinc/35/01/97/532350197.db2.gz NUWLVGOFLPOTBX-SKDRFNHKSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)ccc1Br ZINC000188928081 532350306 /nfs/dbraw/zinc/35/03/06/532350306.db2.gz NUWLVGOFLPOTBX-BXKDBHETSA-N -1 3 393.259 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c(C(F)(F)F)c1 ZINC000190640462 532357305 /nfs/dbraw/zinc/35/73/05/532357305.db2.gz UFNGFSAYNXXTOE-JLLWLGSASA-N -1 3 380.344 2.459 20 5 GEBDHM 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CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000467081490 532437780 /nfs/dbraw/zinc/43/77/80/532437780.db2.gz ABJKOCCOLGDDSZ-RUYXUOGBSA-N -1 3 380.513 2.323 20 5 GEBDHM COC(=O)c1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)cc(S(C)(=O)=O)c1 ZINC000468190096 532459532 /nfs/dbraw/zinc/45/95/32/532459532.db2.gz XHZRRCFBJIOGLU-UHFFFAOYSA-N -1 3 384.391 2.099 20 5 GEBDHM CC(C)(CO)ON=C([O-])Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296761580 532540539 /nfs/dbraw/zinc/54/05/39/532540539.db2.gz ONELHJKRUIGKNK-UHFFFAOYSA-N -1 3 395.153 2.023 20 5 GEBDHM CC(C)(CO)O[N-]C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296761580 532540544 /nfs/dbraw/zinc/54/05/44/532540544.db2.gz ONELHJKRUIGKNK-UHFFFAOYSA-N -1 3 395.153 2.023 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000431635573 532519731 /nfs/dbraw/zinc/51/97/31/532519731.db2.gz RHJZJVTZQPPWIL-QMMMGPOBSA-N -1 3 387.215 2.187 20 5 GEBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000470150457 532521738 /nfs/dbraw/zinc/52/17/38/532521738.db2.gz CLNWQZVMNDVRKU-UHFFFAOYSA-N -1 3 388.402 2.025 20 5 GEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000595384223 532562444 /nfs/dbraw/zinc/56/24/44/532562444.db2.gz UPDGORWUVTXPEY-UHFFFAOYSA-N -1 3 380.369 2.341 20 5 GEBDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000566550923 532615980 /nfs/dbraw/zinc/61/59/80/532615980.db2.gz STUAOJLQNMEUDF-UHFFFAOYSA-N -1 3 384.332 2.248 20 5 GEBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000599372792 532658848 /nfs/dbraw/zinc/65/88/48/532658848.db2.gz MIVUQIKTWCYRKF-GFCCVEGCSA-N -1 3 378.332 2.014 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1 ZINC000439188587 532682594 /nfs/dbraw/zinc/68/25/94/532682594.db2.gz KMOXIVBUERYRMQ-AWEZNQCLSA-N -1 3 378.834 2.460 20 5 GEBDHM CN(C)S(=O)(=O)c1ccc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC000439285590 532688870 /nfs/dbraw/zinc/68/88/70/532688870.db2.gz OVCZDFFTORBVEW-UHFFFAOYSA-N -1 3 384.801 2.146 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000266151981 532705468 /nfs/dbraw/zinc/70/54/68/532705468.db2.gz FVWUDXNMQPAKHC-IUCAKERBSA-N -1 3 379.232 2.061 20 5 GEBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443298303 532744738 /nfs/dbraw/zinc/74/47/38/532744738.db2.gz PBRZGJPHYSLRSO-RNCFNFMXSA-N -1 3 395.275 2.433 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1csc([C@@H](C)OC)n1 ZINC000267640297 532748980 /nfs/dbraw/zinc/74/89/80/532748980.db2.gz QUKCDIFKGLHMDT-SECBINFHSA-N -1 3 387.439 2.246 20 5 GEBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269841180 532791484 /nfs/dbraw/zinc/79/14/84/532791484.db2.gz YQJGKBKNJBHGGA-GFCCVEGCSA-N -1 3 381.248 2.187 20 5 GEBDHM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000332507354 532856696 /nfs/dbraw/zinc/85/66/96/532856696.db2.gz YGZBZTIKFXGQNP-ZFWWWQNUSA-N -1 3 392.861 2.093 20 5 GEBDHM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n(C)n1 ZINC000290044493 532871222 /nfs/dbraw/zinc/87/12/22/532871222.db2.gz ZYSYFSGYUVSJNZ-UHFFFAOYSA-N -1 3 379.225 2.422 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCOCC(F)(F)F ZINC000416368757 532872253 /nfs/dbraw/zinc/87/22/53/532872253.db2.gz FIJNTFRMZUBVTR-UHFFFAOYSA-N -1 3 396.265 2.471 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000416408197 532876476 /nfs/dbraw/zinc/87/64/76/532876476.db2.gz OOSBHBWKQZCIAH-MWLCHTKSSA-N -1 3 381.376 2.375 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C1CC1 ZINC000416436899 532877161 /nfs/dbraw/zinc/87/71/61/532877161.db2.gz FEAYZOKMOHVCNC-GWCFXTLKSA-N -1 3 380.344 2.459 20 5 GEBDHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C ZINC000416459437 532878218 /nfs/dbraw/zinc/87/82/18/532878218.db2.gz SODSABUCJOKCII-GXSJLCMTSA-N -1 3 381.376 2.375 20 5 GEBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276209026 532891249 /nfs/dbraw/zinc/89/12/49/532891249.db2.gz KVPSTQQPLDOMFU-QWHCGFSZSA-N -1 3 388.467 2.334 20 5 GEBDHM Cc1nnc2n1CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000370255895 532942779 /nfs/dbraw/zinc/94/27/79/532942779.db2.gz JMEJYFCMQYAGQR-NSHDSACASA-N -1 3 385.833 2.270 20 5 GEBDHM Cc1ccc(NCCCNc2nnc(C)c(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737362448 598857275 /nfs/dbraw/zinc/85/72/75/598857275.db2.gz PFHIYZLLZIVWQT-UHFFFAOYSA-N -1 3 383.416 2.404 20 5 GEBDHM Cc1ccc(NCCCNc2nnc(C)c(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737362448 598857276 /nfs/dbraw/zinc/85/72/76/598857276.db2.gz PFHIYZLLZIVWQT-UHFFFAOYSA-N -1 3 383.416 2.404 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737115158 598883700 /nfs/dbraw/zinc/88/37/00/598883700.db2.gz LNTJODZNAOOONF-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737115158 598883701 /nfs/dbraw/zinc/88/37/01/598883701.db2.gz LNTJODZNAOOONF-LLVKDONJSA-N -1 3 399.363 2.408 20 5 GEBDHM CCN(c1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736565460 599041340 /nfs/dbraw/zinc/04/13/40/599041340.db2.gz YXALLHSBXWWDIC-UHFFFAOYSA-N -1 3 392.372 2.129 20 5 GEBDHM CCN(c1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736565460 599041343 /nfs/dbraw/zinc/04/13/43/599041343.db2.gz YXALLHSBXWWDIC-UHFFFAOYSA-N -1 3 392.372 2.129 20 5 GEBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000820768386 599044430 /nfs/dbraw/zinc/04/44/30/599044430.db2.gz NEGNOKPEPFUJSP-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000820768386 599044433 /nfs/dbraw/zinc/04/44/33/599044433.db2.gz NEGNOKPEPFUJSP-NSHDSACASA-N -1 3 389.416 2.221 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](COCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823648357 599063267 /nfs/dbraw/zinc/06/32/67/599063267.db2.gz VONDUKFKLLVYDF-CQSZACIVSA-N -1 3 381.396 2.213 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823648357 599063270 /nfs/dbraw/zinc/06/32/70/599063270.db2.gz VONDUKFKLLVYDF-CQSZACIVSA-N -1 3 381.396 2.213 20 5 GEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000738314580 599165466 /nfs/dbraw/zinc/16/54/66/599165466.db2.gz VKWNNUTUBCFTQB-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000738314580 599165469 /nfs/dbraw/zinc/16/54/69/599165469.db2.gz VKWNNUTUBCFTQB-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1cc(-c2nnn[n-]2)ccn1 ZINC000738383611 599223423 /nfs/dbraw/zinc/22/34/23/599223423.db2.gz XGXDFZAFZXDKAY-UHFFFAOYSA-N -1 3 399.392 2.260 20 5 GEBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1cc(-c2nn[n-]n2)ccn1 ZINC000738383611 599223426 /nfs/dbraw/zinc/22/34/26/599223426.db2.gz XGXDFZAFZXDKAY-UHFFFAOYSA-N -1 3 399.392 2.260 20 5 GEBDHM COC(=O)CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821661702 607305276 /nfs/dbraw/zinc/30/52/76/607305276.db2.gz VHCWTXBKYMUFKV-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM COC(=O)CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821661702 607305277 /nfs/dbraw/zinc/30/52/77/607305277.db2.gz VHCWTXBKYMUFKV-UHFFFAOYSA-N -1 3 382.380 2.345 20 5 GEBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000736487961 599277533 /nfs/dbraw/zinc/27/75/33/599277533.db2.gz LPFLAVAHLUYTAJ-UHFFFAOYSA-N -1 3 399.415 2.131 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738266877 598235439 /nfs/dbraw/zinc/23/54/39/598235439.db2.gz BAQNZPNMTUCPDE-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738266877 598235440 /nfs/dbraw/zinc/23/54/40/598235440.db2.gz BAQNZPNMTUCPDE-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=[N+]([O-])c1c(F)cccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738359602 598246002 /nfs/dbraw/zinc/24/60/02/598246002.db2.gz UCLZPPXATXTSQP-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738223749 598290451 /nfs/dbraw/zinc/29/04/51/598290451.db2.gz XBWHHJHMOMYRIF-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738223749 598290453 /nfs/dbraw/zinc/29/04/53/598290453.db2.gz XBWHHJHMOMYRIF-UHFFFAOYSA-N -1 3 391.290 2.289 20 5 GEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(-c4nnn[n-]4)cc3F)cc2N1 ZINC000738301834 598310861 /nfs/dbraw/zinc/31/08/61/598310861.db2.gz CMZVSGZLJITVDV-UHFFFAOYSA-N -1 3 383.343 2.411 20 5 GEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(-c4nn[n-]n4)cc3F)cc2N1 ZINC000738301834 598310863 /nfs/dbraw/zinc/31/08/63/598310863.db2.gz CMZVSGZLJITVDV-UHFFFAOYSA-N -1 3 383.343 2.411 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000738195751 598808041 /nfs/dbraw/zinc/80/80/41/598808041.db2.gz RUEIMWTUSKOZOF-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000736816632 599324060 /nfs/dbraw/zinc/32/40/60/599324060.db2.gz LDGFPUXMSPEZCF-UHFFFAOYSA-N -1 3 395.379 2.368 20 5 GEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000736816632 599324063 /nfs/dbraw/zinc/32/40/63/599324063.db2.gz LDGFPUXMSPEZCF-UHFFFAOYSA-N -1 3 395.379 2.368 20 5 GEBDHM C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455559 599353839 /nfs/dbraw/zinc/35/38/39/599353839.db2.gz JXAIPNYKSNPMIN-JTQLQIEISA-N -1 3 388.409 2.352 20 5 GEBDHM C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455559 599353844 /nfs/dbraw/zinc/35/38/44/599353844.db2.gz JXAIPNYKSNPMIN-JTQLQIEISA-N -1 3 388.409 2.352 20 5 GEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820570535 599365365 /nfs/dbraw/zinc/36/53/65/599365365.db2.gz LXUYFAHIYVLQOW-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820570535 599365368 /nfs/dbraw/zinc/36/53/68/599365368.db2.gz LXUYFAHIYVLQOW-CYBMUJFWSA-N -1 3 380.412 2.053 20 5 GEBDHM O=[N+]([O-])c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000823634821 599461180 /nfs/dbraw/zinc/46/11/80/599461180.db2.gz MTEBDKSDNOMTTF-UHFFFAOYSA-N -1 3 395.423 2.348 20 5 GEBDHM O=[N+]([O-])c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000823634821 599461181 /nfs/dbraw/zinc/46/11/81/599461181.db2.gz MTEBDKSDNOMTTF-UHFFFAOYSA-N -1 3 395.423 2.348 20 5 GEBDHM O=[N+]([O-])c1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000823647538 599461302 /nfs/dbraw/zinc/46/13/02/599461302.db2.gz LRYDFLBIBQCYMS-UHFFFAOYSA-N -1 3 395.423 2.348 20 5 GEBDHM O=[N+]([O-])c1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000823647538 599461303 /nfs/dbraw/zinc/46/13/03/599461303.db2.gz LRYDFLBIBQCYMS-UHFFFAOYSA-N -1 3 395.423 2.348 20 5 GEBDHM C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366506 599478826 /nfs/dbraw/zinc/47/88/26/599478826.db2.gz OQHYOXJPISYPGJ-LBPRGKRZSA-N -1 3 396.411 2.247 20 5 GEBDHM C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366506 599478830 /nfs/dbraw/zinc/47/88/30/599478830.db2.gz OQHYOXJPISYPGJ-LBPRGKRZSA-N -1 3 396.411 2.247 20 5 GEBDHM COc1cc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000821719667 599521826 /nfs/dbraw/zinc/52/18/26/599521826.db2.gz HFTHQMFUXPGJJO-UHFFFAOYSA-N -1 3 396.411 2.259 20 5 GEBDHM COc1cc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000821719667 599521830 /nfs/dbraw/zinc/52/18/30/599521830.db2.gz HFTHQMFUXPGJJO-UHFFFAOYSA-N -1 3 396.411 2.259 20 5 GEBDHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822020750 599532642 /nfs/dbraw/zinc/53/26/42/599532642.db2.gz IEGJARCAPIOBHH-SNVBAGLBSA-N -1 3 397.351 2.483 20 5 GEBDHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822020750 599532644 /nfs/dbraw/zinc/53/26/44/599532644.db2.gz IEGJARCAPIOBHH-SNVBAGLBSA-N -1 3 397.351 2.483 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3Cn3cccn3)cc(-c3nnn[n-]3)c2c1 ZINC000823644137 599538087 /nfs/dbraw/zinc/53/80/87/599538087.db2.gz GEEOUNMWIDTSBC-ZDUSSCGKSA-N -1 3 391.395 2.189 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3Cn3cccn3)cc(-c3nn[n-]n3)c2c1 ZINC000823644137 599538089 /nfs/dbraw/zinc/53/80/89/599538089.db2.gz GEEOUNMWIDTSBC-ZDUSSCGKSA-N -1 3 391.395 2.189 20 5 GEBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000736168374 599545735 /nfs/dbraw/zinc/54/57/35/599545735.db2.gz HJRGEAQSBOWBIB-NSHDSACASA-N -1 3 380.364 2.132 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822684776 599634833 /nfs/dbraw/zinc/63/48/33/599634833.db2.gz HSQYBCYPJVWJTE-UHFFFAOYSA-N -1 3 381.274 2.385 20 5 GEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822684776 599634834 /nfs/dbraw/zinc/63/48/34/599634834.db2.gz HSQYBCYPJVWJTE-UHFFFAOYSA-N -1 3 381.274 2.385 20 5 GEBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823241666 599634935 /nfs/dbraw/zinc/63/49/35/599634935.db2.gz BJYJGWAMSAXGKZ-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823241666 599634936 /nfs/dbraw/zinc/63/49/36/599634936.db2.gz BJYJGWAMSAXGKZ-UHFFFAOYSA-N -1 3 376.735 2.497 20 5 GEBDHM CCN1CCN(C[C@H](C)CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737116200 599854173 /nfs/dbraw/zinc/85/41/73/599854173.db2.gz OUMLVOQYVMUEBY-KEDPEKRHSA-N -1 3 376.457 2.378 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2cccc(CN3CCOCC3)c2)cc1-c1nnn[n-]1 ZINC000826499098 607452892 /nfs/dbraw/zinc/45/28/92/607452892.db2.gz VUIMEZUZVVLJCB-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM O=[N+]([O-])c1ccc(NCc2cccc(CN3CCOCC3)c2)cc1-c1nn[n-]n1 ZINC000826499098 607452893 /nfs/dbraw/zinc/45/28/93/607452893.db2.gz VUIMEZUZVVLJCB-UHFFFAOYSA-N -1 3 395.423 2.219 20 5 GEBDHM Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265085 607522580 /nfs/dbraw/zinc/52/25/80/607522580.db2.gz LJBGFHBREIEVQP-VIFPVBQESA-N -1 3 390.791 2.441 20 5 GEBDHM Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC000826265085 607522581 /nfs/dbraw/zinc/52/25/81/607522581.db2.gz LJBGFHBREIEVQP-VIFPVBQESA-N -1 3 390.791 2.441 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739931866 601971704 /nfs/dbraw/zinc/97/17/04/601971704.db2.gz FLNNPPMEQKGURF-CYBMUJFWSA-N -1 3 380.401 2.006 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824420501 607541914 /nfs/dbraw/zinc/54/19/14/607541914.db2.gz LOVKSNIMNBGHFO-SNVBAGLBSA-N -1 3 377.405 2.348 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824420501 607541915 /nfs/dbraw/zinc/54/19/15/607541915.db2.gz LOVKSNIMNBGHFO-SNVBAGLBSA-N -1 3 377.405 2.348 20 5 GEBDHM Cc1nccn1CCCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826330791 607563771 /nfs/dbraw/zinc/56/37/71/607563771.db2.gz IKAZZWSLJPBOPB-UHFFFAOYSA-N -1 3 393.411 2.355 20 5 GEBDHM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000739100781 602432058 /nfs/dbraw/zinc/43/20/58/602432058.db2.gz PHYNJZLKIYTWBT-FZKQIMNGSA-N -1 3 378.429 2.364 20 5 GEBDHM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825643448 607567482 /nfs/dbraw/zinc/56/74/82/607567482.db2.gz OFUQFOCNERTUCY-UHFFFAOYSA-N -1 3 384.396 2.472 20 5 GEBDHM COc1ccc(COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826206246 607596299 /nfs/dbraw/zinc/59/62/99/607596299.db2.gz KAHXLVABSMQTGM-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc(COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826206246 607596302 /nfs/dbraw/zinc/59/63/02/607596302.db2.gz KAHXLVABSMQTGM-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM CCN1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833657679 605007200 /nfs/dbraw/zinc/00/72/00/605007200.db2.gz NULOUXJSKMRPQK-BXUZGUMPSA-N -1 3 381.454 2.232 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(-c2nnn[n-]2)c1 ZINC000826498206 607734294 /nfs/dbraw/zinc/73/42/94/607734294.db2.gz LIDLPEHJZZSRIM-BDJLRTHQSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(-c2nn[n-]n2)c1 ZINC000826498206 607734295 /nfs/dbraw/zinc/73/42/95/607734295.db2.gz LIDLPEHJZZSRIM-BDJLRTHQSA-N -1 3 388.334 2.365 20 5 GEBDHM O=C([O-])N1CCC[C@@H]1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000834107318 605351266 /nfs/dbraw/zinc/35/12/66/605351266.db2.gz MIJMOTMJUPJLNW-HZPDHXFCSA-N -1 3 393.440 2.189 20 5 GEBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000834183660 605439124 /nfs/dbraw/zinc/43/91/24/605439124.db2.gz PRAVVBLVSWFSGZ-XFBWCDHKSA-N -1 3 377.397 2.329 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820270180 606039021 /nfs/dbraw/zinc/03/90/21/606039021.db2.gz XCRSIVWCFXKYKK-JTQLQIEISA-N -1 3 377.405 2.124 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820270180 606039027 /nfs/dbraw/zinc/03/90/27/606039027.db2.gz XCRSIVWCFXKYKK-JTQLQIEISA-N -1 3 377.405 2.124 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639518 606106581 /nfs/dbraw/zinc/10/65/81/606106581.db2.gz BUSTWDYFNPOYRY-OAHLLOKOSA-N -1 3 388.428 2.329 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639518 606106583 /nfs/dbraw/zinc/10/65/83/606106583.db2.gz BUSTWDYFNPOYRY-OAHLLOKOSA-N -1 3 388.428 2.329 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823629639 606106619 /nfs/dbraw/zinc/10/66/19/606106619.db2.gz CTMAKBRUHDZQOT-OAHLLOKOSA-N -1 3 388.428 2.329 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823629639 606106621 /nfs/dbraw/zinc/10/66/21/606106621.db2.gz CTMAKBRUHDZQOT-OAHLLOKOSA-N -1 3 388.428 2.329 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC(OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823647102 606198893 /nfs/dbraw/zinc/19/88/93/606198893.db2.gz FVBMHLDOLQKVHO-UHFFFAOYSA-N -1 3 381.396 2.008 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC(OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823647102 606198895 /nfs/dbraw/zinc/19/88/95/606198895.db2.gz FVBMHLDOLQKVHO-UHFFFAOYSA-N -1 3 381.396 2.008 20 5 GEBDHM O=C1[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823511654 606244425 /nfs/dbraw/zinc/24/44/25/606244425.db2.gz HVVGPJQJTIDRLQ-LLVKDONJSA-N -1 3 389.372 2.193 20 5 GEBDHM O=C1[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823511654 606244426 /nfs/dbraw/zinc/24/44/26/606244426.db2.gz HVVGPJQJTIDRLQ-LLVKDONJSA-N -1 3 389.372 2.193 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000822220456 606248322 /nfs/dbraw/zinc/24/83/22/606248322.db2.gz RWHBPAGQHDGAPT-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000822220456 606248323 /nfs/dbraw/zinc/24/83/23/606248323.db2.gz RWHBPAGQHDGAPT-HNNXBMFYSA-N -1 3 379.380 2.301 20 5 GEBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823664599 606304999 /nfs/dbraw/zinc/30/49/99/606304999.db2.gz APHIUZQIQDSUAX-UITAMQMPSA-N -1 3 393.388 2.491 20 5 GEBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823664599 606305001 /nfs/dbraw/zinc/30/50/01/606305001.db2.gz APHIUZQIQDSUAX-UITAMQMPSA-N -1 3 393.388 2.491 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508006 606340968 /nfs/dbraw/zinc/34/09/68/606340968.db2.gz LAQNCKSAWFTLRD-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508006 606340970 /nfs/dbraw/zinc/34/09/70/606340970.db2.gz LAQNCKSAWFTLRD-JTQLQIEISA-N -1 3 397.347 2.464 20 5 GEBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2nnn[n-]2)cs1 ZINC000823417800 606566659 /nfs/dbraw/zinc/56/66/59/606566659.db2.gz JFIYFGAFVSHICO-UHFFFAOYSA-N -1 3 389.349 2.060 20 5 GEBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2nn[n-]n2)cs1 ZINC000823417800 606566661 /nfs/dbraw/zinc/56/66/61/606566661.db2.gz JFIYFGAFVSHICO-UHFFFAOYSA-N -1 3 389.349 2.060 20 5 GEBDHM O=[N+]([O-])c1cc(N[C@H](CN2CCOCC2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000823634844 606645318 /nfs/dbraw/zinc/64/53/18/606645318.db2.gz NGJUOXNOEQXHAT-QGZVFWFLSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cc(N[C@H](CN2CCOCC2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000823634844 606645319 /nfs/dbraw/zinc/64/53/19/606645319.db2.gz NGJUOXNOEQXHAT-QGZVFWFLSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823648048 606739220 /nfs/dbraw/zinc/73/92/20/606739220.db2.gz SHYKHAWQPHLPCI-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823648048 606739221 /nfs/dbraw/zinc/73/92/21/606739221.db2.gz SHYKHAWQPHLPCI-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC000821898558 606809304 /nfs/dbraw/zinc/80/93/04/606809304.db2.gz QDAYSXUXBCQULU-CYBMUJFWSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC000821898558 606809305 /nfs/dbraw/zinc/80/93/05/606809305.db2.gz QDAYSXUXBCQULU-CYBMUJFWSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1=O ZINC000821897885 606809555 /nfs/dbraw/zinc/80/95/55/606809555.db2.gz LEVKIASUXGYQDN-CQSZACIVSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1=O ZINC000821897885 606809557 /nfs/dbraw/zinc/80/95/57/606809557.db2.gz LEVKIASUXGYQDN-CQSZACIVSA-N -1 3 395.379 2.001 20 5 GEBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823657110 606839706 /nfs/dbraw/zinc/83/97/06/606839706.db2.gz NTLPZCLPFMSWDV-UHFFFAOYSA-N -1 3 376.760 2.059 20 5 GEBDHM O=c1c(Cl)cc([N+](=O)[O-])cn1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823657110 606839709 /nfs/dbraw/zinc/83/97/09/606839709.db2.gz NTLPZCLPFMSWDV-UHFFFAOYSA-N -1 3 376.760 2.059 20 5 GEBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000819996798 607010122 /nfs/dbraw/zinc/01/01/22/607010122.db2.gz JLBWTOXMNIVDMQ-UHFFFAOYSA-N -1 3 382.380 2.249 20 5 GEBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000819996798 607010123 /nfs/dbraw/zinc/01/01/23/607010123.db2.gz JLBWTOXMNIVDMQ-UHFFFAOYSA-N -1 3 382.380 2.249 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000822222291 607051339 /nfs/dbraw/zinc/05/13/39/607051339.db2.gz BRICTNTXNBXDAV-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000822222291 607051341 /nfs/dbraw/zinc/05/13/41/607051341.db2.gz BRICTNTXNBXDAV-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000823639698 607055734 /nfs/dbraw/zinc/05/57/34/607055734.db2.gz FTRKMKWPYMVMQB-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000823647608 607055746 /nfs/dbraw/zinc/05/57/46/607055746.db2.gz NCCZAZADSDHWPO-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000823647608 607055749 /nfs/dbraw/zinc/05/57/49/607055749.db2.gz NCCZAZADSDHWPO-UHFFFAOYSA-N -1 3 383.387 2.236 20 5 GEBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000822912074 607102293 /nfs/dbraw/zinc/10/22/93/607102293.db2.gz LFOUFAOQIBOTFX-UHFFFAOYSA-N -1 3 386.397 2.009 20 5 GEBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000822912074 607102295 /nfs/dbraw/zinc/10/22/95/607102295.db2.gz LFOUFAOQIBOTFX-UHFFFAOYSA-N -1 3 386.397 2.009 20 5 GEBDHM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nnn[n-]2)cs1 ZINC000823391640 607133521 /nfs/dbraw/zinc/13/35/21/607133521.db2.gz AQDMKVPSVPITKS-MNOVXSKESA-N -1 3 389.397 2.374 20 5 GEBDHM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823391640 607133523 /nfs/dbraw/zinc/13/35/23/607133523.db2.gz AQDMKVPSVPITKS-MNOVXSKESA-N -1 3 389.397 2.374 20 5 GEBDHM CCOC(=O)CCN(Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821330823 607225714 /nfs/dbraw/zinc/22/57/14/607225714.db2.gz TZNLNPJXKALDDY-UHFFFAOYSA-N -1 3 397.395 2.130 20 5 GEBDHM CCOC(=O)CCN(Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821330823 607225715 /nfs/dbraw/zinc/22/57/15/607225715.db2.gz TZNLNPJXKALDDY-UHFFFAOYSA-N -1 3 397.395 2.130 20 5 GEBDHM CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825833224 607790165 /nfs/dbraw/zinc/79/01/65/607790165.db2.gz CHAKQCYANIJBKM-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825833224 607790166 /nfs/dbraw/zinc/79/01/66/607790166.db2.gz CHAKQCYANIJBKM-UHFFFAOYSA-N -1 3 390.363 2.237 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOCc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000826500567 607819882 /nfs/dbraw/zinc/81/98/82/607819882.db2.gz CCJBGCYCJBTWRY-UHFFFAOYSA-N -1 3 375.776 2.452 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOCc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000826500567 607819883 /nfs/dbraw/zinc/81/98/83/607819883.db2.gz CCJBGCYCJBTWRY-UHFFFAOYSA-N -1 3 375.776 2.452 20 5 GEBDHM CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825998805 607848236 /nfs/dbraw/zinc/84/82/36/607848236.db2.gz DQUZADHGMIWHGX-UHFFFAOYSA-N -1 3 395.358 2.266 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2cnn(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000826497994 607868557 /nfs/dbraw/zinc/86/85/57/607868557.db2.gz CHIFZDVZPUWIDF-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1ccc(-c2cnn(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826497994 607868558 /nfs/dbraw/zinc/86/85/58/607868558.db2.gz CHIFZDVZPUWIDF-KRWDZBQOSA-N -1 3 377.364 2.372 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)COc1cccc2[nH]ccc21 ZINC000826499560 607876687 /nfs/dbraw/zinc/87/66/87/607876687.db2.gz NLNHIHDNPOSWLP-LLVKDONJSA-N -1 3 396.363 2.075 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)COc1cccc2[nH]ccc21 ZINC000826499560 607876688 /nfs/dbraw/zinc/87/66/88/607876688.db2.gz NLNHIHDNPOSWLP-LLVKDONJSA-N -1 3 396.363 2.075 20 5 GEBDHM Cn1ccnc1[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826364423 607905116 /nfs/dbraw/zinc/90/51/16/607905116.db2.gz WBIQGJBUYKNLTP-NSHDSACASA-N -1 3 391.395 2.051 20 5 GEBDHM Cn1ccnc1[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826364423 607905117 /nfs/dbraw/zinc/90/51/17/607905117.db2.gz WBIQGJBUYKNLTP-NSHDSACASA-N -1 3 391.395 2.051 20 5 GEBDHM CCNc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000825480749 607959673 /nfs/dbraw/zinc/95/96/73/607959673.db2.gz JAWNYPMOALOSDB-UHFFFAOYSA-N -1 3 379.380 2.410 20 5 GEBDHM CCNc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000825480749 607959674 /nfs/dbraw/zinc/95/96/74/607959674.db2.gz JAWNYPMOALOSDB-UHFFFAOYSA-N -1 3 379.380 2.410 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826174000 607965486 /nfs/dbraw/zinc/96/54/86/607965486.db2.gz FBNXLAXIJLZGNN-UHFFFAOYSA-N -1 3 394.347 2.413 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826174000 607965487 /nfs/dbraw/zinc/96/54/87/607965487.db2.gz FBNXLAXIJLZGNN-UHFFFAOYSA-N -1 3 394.347 2.413 20 5 GEBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820584 608005670 /nfs/dbraw/zinc/00/56/70/608005670.db2.gz LOZQHFHBLQLFSS-UHFFFAOYSA-N -1 3 377.364 2.462 20 5 GEBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820584 608005671 /nfs/dbraw/zinc/00/56/71/608005671.db2.gz LOZQHFHBLQLFSS-UHFFFAOYSA-N -1 3 377.364 2.462 20 5 GEBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826467636 608029093 /nfs/dbraw/zinc/02/90/93/608029093.db2.gz GIPCZUJULOGSBC-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826467636 608029094 /nfs/dbraw/zinc/02/90/94/608029094.db2.gz GIPCZUJULOGSBC-UHFFFAOYSA-N -1 3 393.319 2.182 20 5 GEBDHM COc1ccc(C[C@H](C)CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826191361 608051812 /nfs/dbraw/zinc/05/18/12/608051812.db2.gz DORLJOBJCFJVEG-LBPRGKRZSA-N -1 3 383.412 2.494 20 5 GEBDHM COc1ccc(C[C@H](C)CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826191361 608051813 /nfs/dbraw/zinc/05/18/13/608051813.db2.gz DORLJOBJCFJVEG-LBPRGKRZSA-N -1 3 383.412 2.494 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415932 608105023 /nfs/dbraw/zinc/10/50/23/608105023.db2.gz ZFHJYBOCISKZMS-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415932 608105024 /nfs/dbraw/zinc/10/50/24/608105024.db2.gz ZFHJYBOCISKZMS-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM Cc1c(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cnn1C ZINC000826236472 608163737 /nfs/dbraw/zinc/16/37/37/608163737.db2.gz NORCCHCQRBFZCM-UHFFFAOYSA-N -1 3 390.791 2.042 20 5 GEBDHM Cc1c(CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cnn1C ZINC000826236472 608163738 /nfs/dbraw/zinc/16/37/38/608163738.db2.gz NORCCHCQRBFZCM-UHFFFAOYSA-N -1 3 390.791 2.042 20 5 GEBDHM O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826409675 608173348 /nfs/dbraw/zinc/17/33/48/608173348.db2.gz KELKYCJHFRKJFF-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826409675 608173350 /nfs/dbraw/zinc/17/33/50/608173350.db2.gz KELKYCJHFRKJFF-UHFFFAOYSA-N -1 3 393.407 2.378 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153319345 608228526 /nfs/dbraw/zinc/22/85/26/608228526.db2.gz MCTFAPZFMFLZMW-UHFFFAOYSA-N -1 3 375.348 2.253 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153319345 608228529 /nfs/dbraw/zinc/22/85/29/608228529.db2.gz MCTFAPZFMFLZMW-UHFFFAOYSA-N -1 3 375.348 2.253 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826273022 608384680 /nfs/dbraw/zinc/38/46/80/608384680.db2.gz MCJBPKVINYCNNY-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826273022 608384682 /nfs/dbraw/zinc/38/46/82/608384682.db2.gz MCJBPKVINYCNNY-UHFFFAOYSA-N -1 3 379.380 2.085 20 5 GEBDHM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824530678 608391584 /nfs/dbraw/zinc/39/15/84/608391584.db2.gz MSSFGPJDLZALPH-VXGBXAGGSA-N -1 3 381.396 2.453 20 5 GEBDHM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824530678 608391585 /nfs/dbraw/zinc/39/15/85/608391585.db2.gz MSSFGPJDLZALPH-VXGBXAGGSA-N -1 3 381.396 2.453 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826255640 608426787 /nfs/dbraw/zinc/42/67/87/608426787.db2.gz FFMUQXMLDJBOBM-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826255640 608426789 /nfs/dbraw/zinc/42/67/89/608426789.db2.gz FFMUQXMLDJBOBM-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826279008 608426860 /nfs/dbraw/zinc/42/68/60/608426860.db2.gz BREWZMMVXATNEL-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826279008 608426861 /nfs/dbraw/zinc/42/68/61/608426861.db2.gz BREWZMMVXATNEL-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1oc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826341222 608564159 /nfs/dbraw/zinc/56/41/59/608564159.db2.gz APHXCGYFBWZWSS-JTQLQIEISA-N -1 3 385.384 2.274 20 5 GEBDHM Cc1oc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826341222 608564161 /nfs/dbraw/zinc/56/41/61/608564161.db2.gz APHXCGYFBWZWSS-JTQLQIEISA-N -1 3 385.384 2.274 20 5 GEBDHM O=[N+]([O-])c1ccsc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826500612 608583170 /nfs/dbraw/zinc/58/31/70/608583170.db2.gz FFNUTRHIORHDCY-UHFFFAOYSA-N -1 3 375.389 2.302 20 5 GEBDHM O=[N+]([O-])c1ccsc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826500612 608583172 /nfs/dbraw/zinc/58/31/72/608583172.db2.gz FFNUTRHIORHDCY-UHFFFAOYSA-N -1 3 375.389 2.302 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826498248 608773377 /nfs/dbraw/zinc/77/33/77/608773377.db2.gz MTXABECHBPZKAT-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826498248 608773378 /nfs/dbraw/zinc/77/33/78/608773378.db2.gz MTXABECHBPZKAT-UHFFFAOYSA-N -1 3 386.803 2.150 20 5 GEBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000826358354 608844484 /nfs/dbraw/zinc/84/44/84/608844484.db2.gz QCRHIOLIFKRNPE-UHFFFAOYSA-N -1 3 392.173 2.128 20 5 GEBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000826358354 608844485 /nfs/dbraw/zinc/84/44/85/608844485.db2.gz QCRHIOLIFKRNPE-UHFFFAOYSA-N -1 3 392.173 2.128 20 5 GEBDHM Cn1ccnc1[C@H](NCc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826364554 609172856 /nfs/dbraw/zinc/17/28/56/609172856.db2.gz ZXUOLDLHUXPLPF-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826364554 609172858 /nfs/dbraw/zinc/17/28/58/609172858.db2.gz ZXUOLDLHUXPLPF-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM Cc1c(Br)c(=O)n(Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826242889 609492453 /nfs/dbraw/zinc/49/24/53/609492453.db2.gz KVTGEYKHSMSXIO-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM Cc1c(Br)c(=O)n(Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826242889 609492454 /nfs/dbraw/zinc/49/24/54/609492454.db2.gz KVTGEYKHSMSXIO-UHFFFAOYSA-N -1 3 391.185 2.056 20 5 GEBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000447019971 649994306 /nfs/dbraw/zinc/99/43/06/649994306.db2.gz ZOQGWGSKWBXZRF-LLVKDONJSA-N -1 3 381.248 2.307 20 5 GEBDHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC)C(F)F)cc([N+](=O)[O-])c1C ZINC000451084373 650084552 /nfs/dbraw/zinc/08/45/52/650084552.db2.gz RCDXVCTVPZSWME-NSHDSACASA-N -1 3 380.369 2.402 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccon1 ZINC000538271515 650833479 /nfs/dbraw/zinc/83/34/79/650833479.db2.gz QZTJDZSAEKFLJR-ZETCQYMHSA-N -1 3 376.188 2.385 20 5 GEBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000119133213 643538301 /nfs/dbraw/zinc/53/83/01/643538301.db2.gz OUYRFAUDVIAVTO-LBPRGKRZSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c1 ZINC000121768510 643639434 /nfs/dbraw/zinc/63/94/34/643639434.db2.gz HCBJOPFTJKZLRS-ONGXEEELSA-N -1 3 393.259 2.187 20 5 GEBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000152396341 643967550 /nfs/dbraw/zinc/96/75/50/643967550.db2.gz GLSOVMHHQYTLMW-NSHDSACASA-N -1 3 379.232 2.061 20 5 GEBDHM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000161030281 644207791 /nfs/dbraw/zinc/20/77/91/644207791.db2.gz MYFNAYFUBMGGHC-UHFFFAOYSA-N -1 3 379.232 2.205 20 5 GEBDHM COCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173079057 644349589 /nfs/dbraw/zinc/34/95/89/644349589.db2.gz LHAFDCPROCQPDC-UHFFFAOYSA-N -1 3 381.248 2.452 20 5 GEBDHM COCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269452554 646035418 /nfs/dbraw/zinc/03/54/18/646035418.db2.gz CVTIPOFXPLNSPN-UHFFFAOYSA-N -1 3 381.248 2.452 20 5 GEBDHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000270193248 646089894 /nfs/dbraw/zinc/08/98/94/646089894.db2.gz AXPYYXRLJRFPKO-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271299594 646188116 /nfs/dbraw/zinc/18/81/16/646188116.db2.gz VVBDWHMTLAEOEJ-UWVGGRQHSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCCO)c(Br)c1 ZINC000271769010 646230129 /nfs/dbraw/zinc/23/01/29/646230129.db2.gz FVEKIBWVULOPID-UHFFFAOYSA-N -1 3 381.248 2.188 20 5 GEBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1[C@H](C)O ZINC000272155958 646258216 /nfs/dbraw/zinc/25/82/16/646258216.db2.gz YDUSQQKKBBJZCT-JTQLQIEISA-N -1 3 385.829 2.483 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000278831613 646554691 /nfs/dbraw/zinc/55/46/91/646554691.db2.gz IWGJHQPNWAAALR-LBPRGKRZSA-N -1 3 378.332 2.219 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000416410470 648116075 /nfs/dbraw/zinc/11/60/75/648116075.db2.gz XGWWUYIXOYRZTR-MRVPVSSYSA-N -1 3 378.332 2.387 20 5 GEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000416531740 648162409 /nfs/dbraw/zinc/16/24/09/648162409.db2.gz HLIKDOSHBWZAGF-SCZZXKLOSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)O1 ZINC000416611613 648187325 /nfs/dbraw/zinc/18/73/25/648187325.db2.gz YBDAABPWMWOYPO-UTLUCORTSA-N -1 3 393.259 2.449 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](O)C(C)C ZINC000416635041 648195673 /nfs/dbraw/zinc/19/56/73/648195673.db2.gz ZMOQURNGEVZIID-YPMHNXCESA-N -1 3 395.275 2.431 20 5 GEBDHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443274951 648870942 /nfs/dbraw/zinc/87/09/42/648870942.db2.gz XJDAXGQEHXDLTI-KCJUWKMLSA-N -1 3 381.248 2.043 20 5 GEBDHM Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(=O)[n-]1 ZINC000552415603 651148838 /nfs/dbraw/zinc/14/88/38/651148838.db2.gz LNAOZBJVSGZDDM-UHFFFAOYSA-N -1 3 381.186 2.400 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000553560239 651180808 /nfs/dbraw/zinc/18/08/08/651180808.db2.gz ZQZLQBISSGLYMA-UHFFFAOYSA-N -1 3 375.328 2.403 20 5 GEBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@]12CCCO2 ZINC000612684942 651765179 /nfs/dbraw/zinc/76/51/79/651765179.db2.gz WOBUGUCRWUIHKY-KFWWJZLASA-N -1 3 390.845 2.253 20 5 GEBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@]12CCCO2 ZINC000612684944 651765387 /nfs/dbraw/zinc/76/53/87/651765387.db2.gz WOBUGUCRWUIHKY-RRFJBIMHSA-N -1 3 390.845 2.253 20 5 GEBDHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000751221854 652332218 /nfs/dbraw/zinc/33/22/18/652332218.db2.gz JKHWFKHHULSYEE-CQSZACIVSA-N -1 3 386.813 2.269 20 5 GEBDHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000583553182 652489451 /nfs/dbraw/zinc/48/94/51/652489451.db2.gz HWLHHUVYRZRFJN-RNCFNFMXSA-N -1 3 382.360 2.443 20 5 GEBDHM COCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000589297102 652565099 /nfs/dbraw/zinc/56/50/99/652565099.db2.gz SXBCUNTZXNYBKO-UHFFFAOYSA-N -1 3 377.831 2.330 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c(Br)c1 ZINC000599481188 652875451 /nfs/dbraw/zinc/87/54/51/652875451.db2.gz AKIRUMPEMJAUIP-SKDRFNHKSA-N -1 3 391.243 2.203 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)O1 ZINC000601499499 653102029 /nfs/dbraw/zinc/10/20/29/653102029.db2.gz POEPVELKZYFEAW-SOCHQFKDSA-N -1 3 379.232 2.202 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ncccc2O)c(Cl)cc1Cl ZINC000809840761 653308211 /nfs/dbraw/zinc/30/82/11/653308211.db2.gz VZLSPXMMZJOKSQ-UHFFFAOYSA-N -1 3 378.193 2.481 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCN2CC=CCC2)c(Cl)cc1Cl ZINC000809841330 653308524 /nfs/dbraw/zinc/30/85/24/653308524.db2.gz FXDAQQLVOPKJLJ-UHFFFAOYSA-N -1 3 380.253 2.442 20 5 GEBDHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000811832179 653408866 /nfs/dbraw/zinc/40/88/66/653408866.db2.gz MHSYCWFQUCNOKD-UHFFFAOYSA-N -1 3 390.826 2.453 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C(N)=O)c2ccccc2)c1 ZINC000779873082 653613755 /nfs/dbraw/zinc/61/37/55/653613755.db2.gz HJWWTPQGJCLFGC-AWEZNQCLSA-N -1 3 383.813 2.062 20 5 GEBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC000779893084 653615162 /nfs/dbraw/zinc/61/51/62/653615162.db2.gz ODATXGGULREFNZ-GFCCVEGCSA-N -1 3 378.834 2.423 20 5 GEBDHM COC(=O)[C@](C)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000779893880 653615286 /nfs/dbraw/zinc/61/52/86/653615286.db2.gz VCRSVEMMXCVDRV-CQSZACIVSA-N -1 3 376.818 2.177 20 5 GEBDHM Cc1cc(Br)cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000780396223 653625306 /nfs/dbraw/zinc/62/53/06/653625306.db2.gz XFSMQRDXRRAOHM-UHFFFAOYSA-N -1 3 387.215 2.366 20 5 GEBDHM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000815094505 653651378 /nfs/dbraw/zinc/65/13/78/653651378.db2.gz KZJZCZJJYFHFLE-RNCFNFMXSA-N -1 3 393.259 2.187 20 5 GEBDHM CCc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]n1 ZINC000841490578 653720446 /nfs/dbraw/zinc/72/04/46/653720446.db2.gz YZYAXNSRZSOULN-UHFFFAOYSA-N -1 3 378.332 2.378 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c1 ZINC000841575896 653737411 /nfs/dbraw/zinc/73/74/11/653737411.db2.gz ZYGHIZUHXBRCCZ-VHSXEESVSA-N -1 3 393.259 2.187 20 5 GEBDHM COc1c(S(=O)(=O)[N-][C@@H](C)CF)cc(Br)c(C)c1[N+](=O)[O-] ZINC000885409374 653931358 /nfs/dbraw/zinc/93/13/58/653931358.db2.gz PLASGIWTQGONBI-LURJTMIESA-N -1 3 385.211 2.311 20 5 GEBDHM COC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000796177275 653989756 /nfs/dbraw/zinc/98/97/56/653989756.db2.gz SEVCOGPJNKBWBT-UHFFFAOYSA-N -1 3 391.833 2.005 20 5 GEBDHM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000800930207 654168764 /nfs/dbraw/zinc/16/87/64/654168764.db2.gz HBIBOQNQRXKNKB-UHFFFAOYSA-N -1 3 390.826 2.453 20 5 GEBDHM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831842927 654213333 /nfs/dbraw/zinc/21/33/33/654213333.db2.gz DGYQXNWAKYDOJJ-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c1 ZINC000832317728 654258892 /nfs/dbraw/zinc/25/88/92/654258892.db2.gz PWBRLRSKOJNGEF-GFCCVEGCSA-N -1 3 391.243 2.205 20 5 GEBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)co1 ZINC000832474019 654268403 /nfs/dbraw/zinc/26/84/03/654268403.db2.gz SIEIOTGMECABEM-UHFFFAOYSA-N -1 3 390.215 2.386 20 5 GEBDHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000832523445 654271804 /nfs/dbraw/zinc/27/18/04/654271804.db2.gz GRRTXZCZHCRPSH-SDBXPKJASA-N -1 3 393.259 2.449 20 5 GEBDHM CCc1ccc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921854587 654331820 /nfs/dbraw/zinc/33/18/20/654331820.db2.gz NPSQDCHNQSIANT-ZWNOBZJWSA-N -1 3 382.360 2.403 20 5 GEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921856616 654332503 /nfs/dbraw/zinc/33/25/03/654332503.db2.gz NFXGXCHDHQLEBL-ZWNOBZJWSA-N -1 3 382.360 2.457 20 5 GEBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921864838 654335814 /nfs/dbraw/zinc/33/58/14/654335814.db2.gz WGCCXUGEYDSYNK-ZWNOBZJWSA-N -1 3 382.360 2.457 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000908406714 654626893 /nfs/dbraw/zinc/62/68/93/654626893.db2.gz CLXVVFMGRCHHNN-ZYHUDNBSSA-N -1 3 391.243 2.061 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000026840260 531618745 /nfs/dbraw/zinc/61/87/45/531618745.db2.gz IAPBVRYTRCZCOG-SDDRHHMPSA-N -1 3 391.877 2.024 20 5 GEBDHM CNC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000056040291 531801487 /nfs/dbraw/zinc/80/14/87/531801487.db2.gz ISCYVXZRWAGELR-UHFFFAOYSA-N -1 3 383.813 2.086 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000055986191 531801606 /nfs/dbraw/zinc/80/16/06/531801606.db2.gz KJFKOJVOLPGHGD-UHFFFAOYSA-N -1 3 384.797 2.498 20 5 GEBDHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119444588 531968534 /nfs/dbraw/zinc/96/85/34/531968534.db2.gz NSOGSLAKEDHJEA-PRHODGIISA-N -1 3 381.248 2.043 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000121867745 532050762 /nfs/dbraw/zinc/05/07/62/532050762.db2.gz HTGQCLLHAPIMNF-ONGXEEELSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000121867584 532050619 /nfs/dbraw/zinc/05/06/19/532050619.db2.gz HTGQCLLHAPIMNF-KOLCDFICSA-N -1 3 382.360 2.443 20 5 GEBDHM NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000175854079 532117029 /nfs/dbraw/zinc/11/70/29/532117029.db2.gz GONYJHORXDFKLI-GFCCVEGCSA-N -1 3 383.813 2.143 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000125598957 532139381 /nfs/dbraw/zinc/13/93/81/532139381.db2.gz JESAMUDCBNLVQD-LBPRGKRZSA-N -1 3 387.483 2.034 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000125519487 532137087 /nfs/dbraw/zinc/13/70/87/532137087.db2.gz QPBFFIZFJJFZSD-VXGBXAGGSA-N -1 3 391.515 2.132 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000125519645 532137227 /nfs/dbraw/zinc/13/72/27/532137227.db2.gz QPBFFIZFJJFZSD-RYUDHWBXSA-N -1 3 391.515 2.132 20 5 GEBDHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000132834063 532221525 /nfs/dbraw/zinc/22/15/25/532221525.db2.gz JKYSYQCIGAQEQJ-QWHCGFSZSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000132834264 532221939 /nfs/dbraw/zinc/22/19/39/532221939.db2.gz JKYSYQCIGAQEQJ-STQMWFEESA-N -1 3 382.360 2.443 20 5 GEBDHM CN(Cc1ccccc1)C(=O)C[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179572156 532236995 /nfs/dbraw/zinc/23/69/95/532236995.db2.gz QEBFUCXSWLCYJG-UHFFFAOYSA-N -1 3 383.451 2.130 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000188919585 532350225 /nfs/dbraw/zinc/35/02/25/532350225.db2.gz JMTKVSDSJAAPMD-BXKDBHETSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000190627341 532357086 /nfs/dbraw/zinc/35/70/86/532357086.db2.gz XUTVGSIYFJJWKF-YUSALJHKSA-N -1 3 391.243 2.203 20 5 GEBDHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295254492 532425420 /nfs/dbraw/zinc/42/54/20/532425420.db2.gz KRYLMICADXGMOR-LLVKDONJSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H](CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000295246225 532426479 /nfs/dbraw/zinc/42/64/79/532426479.db2.gz JXUISMFWFGQARB-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(-n3cncn3)c2)cc1[N+](=O)[O-] ZINC000467084346 532438058 /nfs/dbraw/zinc/43/80/58/532438058.db2.gz HUEQXRKDPVVZQZ-UHFFFAOYSA-N -1 3 379.423 2.024 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000467075255 532438343 /nfs/dbraw/zinc/43/83/43/532438343.db2.gz YHVVJOISXPUIAX-NSHDSACASA-N -1 3 384.435 2.473 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000281854650 532438858 /nfs/dbraw/zinc/43/88/58/532438858.db2.gz YMNJDFXPNWGENH-SECBINFHSA-N -1 3 378.353 2.095 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000467255958 532443970 /nfs/dbraw/zinc/44/39/70/532443970.db2.gz KEMUQZMOEAPGFW-UHFFFAOYSA-N -1 3 384.435 2.257 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000467419586 532446723 /nfs/dbraw/zinc/44/67/23/532446723.db2.gz OKVQONUBCHKYNA-SECBINFHSA-N -1 3 385.471 2.322 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000467400415 532446871 /nfs/dbraw/zinc/44/68/71/532446871.db2.gz VGRYDBYZHHJAPD-UHFFFAOYSA-N -1 3 386.407 2.051 20 5 GEBDHM CS(=O)(=O)c1ccc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000468624408 532470062 /nfs/dbraw/zinc/47/00/62/532470062.db2.gz ZRRWHLMIYYDFMG-UHFFFAOYSA-N -1 3 380.407 2.722 20 5 GEBDHM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000295817939 532478984 /nfs/dbraw/zinc/47/89/84/532478984.db2.gz UOAYJBTXUANTJL-SECBINFHSA-N -1 3 381.248 2.187 20 5 GEBDHM COCC1(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000563056979 532496307 /nfs/dbraw/zinc/49/63/07/532496307.db2.gz DWFSTYXMSJVOMN-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000295783457 532476112 /nfs/dbraw/zinc/47/61/12/532476112.db2.gz YFCRVWMRIDKQHC-UHFFFAOYSA-N -1 3 375.175 2.360 20 5 GEBDHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000296120648 532502957 /nfs/dbraw/zinc/50/29/57/532502957.db2.gz HRZRDSYRLZEAKE-SECBINFHSA-N -1 3 381.248 2.044 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1 ZINC000431078603 532504964 /nfs/dbraw/zinc/50/49/64/532504964.db2.gz VGVJPQFXLZIDBY-ZDUSSCGKSA-N -1 3 384.841 2.378 20 5 GEBDHM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431641160 532519883 /nfs/dbraw/zinc/51/98/83/532519883.db2.gz UHVXRHOGBKKDFC-SNVBAGLBSA-N -1 3 377.850 2.079 20 5 GEBDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000594699557 532521021 /nfs/dbraw/zinc/52/10/21/532521021.db2.gz JOKJJORJAJWQQO-NSHDSACASA-N -1 3 384.332 2.066 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccn1C ZINC000595382473 532562578 /nfs/dbraw/zinc/56/25/78/532562578.db2.gz JCZBDRYJPWSSPP-MRVPVSSYSA-N -1 3 378.332 2.387 20 5 GEBDHM COc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000472316209 532571448 /nfs/dbraw/zinc/57/14/48/532571448.db2.gz DPEZYUDYLFJXKG-UHFFFAOYSA-N -1 3 387.801 2.009 20 5 GEBDHM Cc1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000473791303 532599654 /nfs/dbraw/zinc/59/96/54/532599654.db2.gz YGRTTYLLISGVLR-UHFFFAOYSA-N -1 3 384.439 2.065 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599459122 532660435 /nfs/dbraw/zinc/66/04/35/532660435.db2.gz DFQLIUPQGGVGLQ-YDEXJTGXSA-N -1 3 393.259 2.448 20 5 GEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599459121 532660835 /nfs/dbraw/zinc/66/08/35/532660835.db2.gz DFQLIUPQGGVGLQ-VXFNFUGZSA-N -1 3 393.259 2.448 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nccn1CC(F)(F)F ZINC000539171166 532725368 /nfs/dbraw/zinc/72/53/68/532725368.db2.gz XMROOPKRIAGVNF-UHFFFAOYSA-N -1 3 378.332 2.141 20 5 GEBDHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000539222408 532726983 /nfs/dbraw/zinc/72/69/83/532726983.db2.gz CWEGHAPKXXBOEE-RNCFNFMXSA-N -1 3 393.259 2.451 20 5 GEBDHM C[N-]S(=O)(=O)c1ccc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])s1 ZINC000301426957 532750442 /nfs/dbraw/zinc/75/04/42/532750442.db2.gz CWYVKTKLWNNIOP-UHFFFAOYSA-N -1 3 375.403 2.324 20 5 GEBDHM CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000451637304 532768598 /nfs/dbraw/zinc/76/85/98/532768598.db2.gz CZNDRNVHWNXYBP-LLVKDONJSA-N -1 3 381.248 2.451 20 5 GEBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269841181 532791149 /nfs/dbraw/zinc/79/11/49/532791149.db2.gz YQJGKBKNJBHGGA-LBPRGKRZSA-N -1 3 381.248 2.187 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c(C(F)(F)F)c1 ZINC000554964204 532806902 /nfs/dbraw/zinc/80/69/02/532806902.db2.gz NGDKJXVTMMCPLC-GFCCVEGCSA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000330432507 532818493 /nfs/dbraw/zinc/81/84/93/532818493.db2.gz KEHXKTQJHIDNLA-WDEREUQCSA-N -1 3 389.861 2.316 20 5 GEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331133735 532833428 /nfs/dbraw/zinc/83/34/28/532833428.db2.gz BWXJFUILWKSBPA-NSHDSACASA-N -1 3 392.275 2.120 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)c(Cl)c1 ZINC000274234968 532845662 /nfs/dbraw/zinc/84/56/62/532845662.db2.gz ALIQUMRSIHSTFK-UHFFFAOYSA-N -1 3 388.858 2.071 20 5 GEBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1CCC(F)(F)CC1)OCCO2 ZINC000332599278 532858056 /nfs/dbraw/zinc/85/80/56/532858056.db2.gz MBYASXRKVNGERT-UHFFFAOYSA-N -1 3 378.353 2.222 20 5 GEBDHM COCCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCC1 ZINC000275084576 532863711 /nfs/dbraw/zinc/86/37/11/532863711.db2.gz OVBBICKELVDWCG-UHFFFAOYSA-N -1 3 376.406 2.228 20 5 GEBDHM CCOCc1nc([C@H](C)[N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])no1 ZINC000290633341 532885912 /nfs/dbraw/zinc/88/59/12/532885912.db2.gz HFZIAAKIFYWPMQ-ZETCQYMHSA-N -1 3 376.416 2.152 20 5 GEBDHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000276898139 532903224 /nfs/dbraw/zinc/90/32/24/532903224.db2.gz VGVBLCDPCCNFME-LLVKDONJSA-N -1 3 381.248 2.043 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000736688418 598875799 /nfs/dbraw/zinc/87/57/99/598875799.db2.gz DGXGMTYIVQQGIS-UHFFFAOYSA-N -1 3 393.356 2.244 20 5 GEBDHM CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000736688418 598875801 /nfs/dbraw/zinc/87/58/01/598875801.db2.gz DGXGMTYIVQQGIS-UHFFFAOYSA-N -1 3 393.356 2.244 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900054 598899186 /nfs/dbraw/zinc/89/91/86/598899186.db2.gz PXHWHDHWPXGQAC-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900054 598899187 /nfs/dbraw/zinc/89/91/87/598899187.db2.gz PXHWHDHWPXGQAC-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)c1cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000736949081 598943080 /nfs/dbraw/zinc/94/30/80/598943080.db2.gz ACTJJIYRSBIQLG-UHFFFAOYSA-N -1 3 376.716 2.402 20 5 GEBDHM COC(=O)c1cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000736949081 598943082 /nfs/dbraw/zinc/94/30/82/598943082.db2.gz ACTJJIYRSBIQLG-UHFFFAOYSA-N -1 3 376.716 2.402 20 5 GEBDHM Cc1cccc(C2(O)CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1C ZINC000822299594 599048314 /nfs/dbraw/zinc/04/83/14/599048314.db2.gz OEMGEZXVZLLTNO-UHFFFAOYSA-N -1 3 395.423 2.275 20 5 GEBDHM Cc1cccc(C2(O)CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1C ZINC000822299594 599048316 /nfs/dbraw/zinc/04/83/16/599048316.db2.gz OEMGEZXVZLLTNO-UHFFFAOYSA-N -1 3 395.423 2.275 20 5 GEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737969179 599181260 /nfs/dbraw/zinc/18/12/60/599181260.db2.gz OPTQTJWHOQJBIT-UHFFFAOYSA-N -1 3 398.448 2.367 20 5 GEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737969179 599181262 /nfs/dbraw/zinc/18/12/62/599181262.db2.gz OPTQTJWHOQJBIT-UHFFFAOYSA-N -1 3 398.448 2.367 20 5 GEBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823488139 599205162 /nfs/dbraw/zinc/20/51/62/599205162.db2.gz JUIMQIDLNIZQMK-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823488139 599205164 /nfs/dbraw/zinc/20/51/64/599205164.db2.gz JUIMQIDLNIZQMK-UHFFFAOYSA-N -1 3 394.391 2.459 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](CO)Cc3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000738367926 599266758 /nfs/dbraw/zinc/26/67/58/599266758.db2.gz XDIBRDARHHSRKO-LLVKDONJSA-N -1 3 395.379 2.179 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](CO)Cc3ccco3)cc(-c3nn[n-]n3)c2c1 ZINC000738367926 599266759 /nfs/dbraw/zinc/26/67/59/599266759.db2.gz XDIBRDARHHSRKO-LLVKDONJSA-N -1 3 395.379 2.179 20 5 GEBDHM COc1ncccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737163831 599267115 /nfs/dbraw/zinc/26/71/15/599267115.db2.gz QBXKVJSUKQOUOH-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM COc1ncccc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737163831 599267118 /nfs/dbraw/zinc/26/71/18/599267118.db2.gz QBXKVJSUKQOUOH-UHFFFAOYSA-N -1 3 378.352 2.339 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCOCC(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000738367019 599268297 /nfs/dbraw/zinc/26/82/97/599268297.db2.gz NNDXYOPILBOCSL-UHFFFAOYSA-N -1 3 383.290 2.314 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCOCC(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000738367019 599268299 /nfs/dbraw/zinc/26/82/99/599268299.db2.gz NNDXYOPILBOCSL-UHFFFAOYSA-N -1 3 383.290 2.314 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366101 599273408 /nfs/dbraw/zinc/27/34/08/599273408.db2.gz CHVSIHJJBJWQOJ-ZDUSSCGKSA-N -1 3 391.391 2.339 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)Cc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366101 599273411 /nfs/dbraw/zinc/27/34/11/599273411.db2.gz CHVSIHJJBJWQOJ-ZDUSSCGKSA-N -1 3 391.391 2.339 20 5 GEBDHM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c([N+](=O)[O-])cc1OC ZINC000821703035 607321837 /nfs/dbraw/zinc/32/18/37/607321837.db2.gz LNVGGZPLDPCFAS-UHFFFAOYSA-N -1 3 384.352 2.353 20 5 GEBDHM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c([N+](=O)[O-])cc1OC ZINC000821703035 607321838 /nfs/dbraw/zinc/32/18/38/607321838.db2.gz LNVGGZPLDPCFAS-UHFFFAOYSA-N -1 3 384.352 2.353 20 5 GEBDHM CC(C)COC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735838576 598245052 /nfs/dbraw/zinc/24/50/52/598245052.db2.gz GSJIUDAIEYHBHE-UHFFFAOYSA-N -1 3 389.416 2.080 20 5 GEBDHM CC(C)COC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000735838576 598245054 /nfs/dbraw/zinc/24/50/54/598245054.db2.gz GSJIUDAIEYHBHE-UHFFFAOYSA-N -1 3 389.416 2.080 20 5 GEBDHM O=[N+]([O-])c1sccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738374315 598246026 /nfs/dbraw/zinc/24/60/26/598246026.db2.gz NOLZSHCHOUWCQK-UHFFFAOYSA-N -1 3 375.389 2.302 20 5 GEBDHM COc1cc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737039804 598289617 /nfs/dbraw/zinc/28/96/17/598289617.db2.gz CUSXVQAARJYCMX-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COc1cc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000737039804 598289619 /nfs/dbraw/zinc/28/96/19/598289619.db2.gz CUSXVQAARJYCMX-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118970 598442242 /nfs/dbraw/zinc/44/22/42/598442242.db2.gz LPZRWPAMKMDCNR-JTQLQIEISA-N -1 3 396.363 2.037 20 5 GEBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118970 598442244 /nfs/dbraw/zinc/44/22/44/598442244.db2.gz LPZRWPAMKMDCNR-JTQLQIEISA-N -1 3 396.363 2.037 20 5 GEBDHM CCc1nc2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736707710 598500386 /nfs/dbraw/zinc/50/03/86/598500386.db2.gz YWBCUULBDGTAPY-UHFFFAOYSA-N -1 3 379.384 2.194 20 5 GEBDHM CCc1nc2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736707710 598500388 /nfs/dbraw/zinc/50/03/88/598500388.db2.gz YWBCUULBDGTAPY-UHFFFAOYSA-N -1 3 379.384 2.194 20 5 GEBDHM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826415637 607359731 /nfs/dbraw/zinc/35/97/31/607359731.db2.gz MPHBZNNAGZZZSC-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826415637 607359733 /nfs/dbraw/zinc/35/97/33/607359733.db2.gz MPHBZNNAGZZZSC-UHFFFAOYSA-N -1 3 387.739 2.468 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ccc(-c4nnn[n-]4)cn3)sc2c1 ZINC000738367298 598537353 /nfs/dbraw/zinc/53/73/53/598537353.db2.gz PWQOTUQTNMOZOZ-UHFFFAOYSA-N -1 3 383.397 2.304 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ccc(-c4nn[n-]n4)cn3)sc2c1 ZINC000738367298 598537355 /nfs/dbraw/zinc/53/73/55/598537355.db2.gz PWQOTUQTNMOZOZ-UHFFFAOYSA-N -1 3 383.397 2.304 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738358238 598560641 /nfs/dbraw/zinc/56/06/41/598560641.db2.gz CHFJMSXXTIYQCB-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738358238 598560643 /nfs/dbraw/zinc/56/06/43/598560643.db2.gz CHFJMSXXTIYQCB-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000737063334 598582155 /nfs/dbraw/zinc/58/21/55/598582155.db2.gz WSKCMYSJWAJWIE-AWEZNQCLSA-N -1 3 395.379 2.001 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000737063334 598582156 /nfs/dbraw/zinc/58/21/56/598582156.db2.gz WSKCMYSJWAJWIE-AWEZNQCLSA-N -1 3 395.379 2.001 20 5 GEBDHM O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738235498 598621163 /nfs/dbraw/zinc/62/11/63/598621163.db2.gz RZICRHRNHYENOM-KRWDZBQOSA-N -1 3 394.391 2.487 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735628463 598676046 /nfs/dbraw/zinc/67/60/46/598676046.db2.gz UVQDYKXZEVIVMM-NSHDSACASA-N -1 3 375.389 2.196 20 5 GEBDHM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735628463 598676047 /nfs/dbraw/zinc/67/60/47/598676047.db2.gz UVQDYKXZEVIVMM-NSHDSACASA-N -1 3 375.389 2.196 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000738296023 598775735 /nfs/dbraw/zinc/77/57/35/598775735.db2.gz JACRJBPIBAMYDO-CQSZACIVSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000738296023 598775738 /nfs/dbraw/zinc/77/57/38/598775738.db2.gz JACRJBPIBAMYDO-CQSZACIVSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737973887 598808109 /nfs/dbraw/zinc/80/81/09/598808109.db2.gz IXAWYWFWMTVAQB-UHFFFAOYSA-N -1 3 390.363 2.142 20 5 GEBDHM Cc1ccc(S(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000822267232 599363817 /nfs/dbraw/zinc/36/38/17/599363817.db2.gz PDQDXCLGOCYUJP-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM Cc1ccc(S(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000822267232 599363820 /nfs/dbraw/zinc/36/38/20/599363820.db2.gz PDQDXCLGOCYUJP-UHFFFAOYSA-N -1 3 389.393 2.468 20 5 GEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000821613584 599471526 /nfs/dbraw/zinc/47/15/26/599471526.db2.gz TWAVTERVLDYOTI-UHFFFAOYSA-N -1 3 395.379 2.368 20 5 GEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000821613584 599471529 /nfs/dbraw/zinc/47/15/29/599471529.db2.gz TWAVTERVLDYOTI-UHFFFAOYSA-N -1 3 395.379 2.368 20 5 GEBDHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000737201330 599520892 /nfs/dbraw/zinc/52/08/92/599520892.db2.gz CMHBUTJZASAHFH-UHFFFAOYSA-N -1 3 399.415 2.144 20 5 GEBDHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000737201330 599520895 /nfs/dbraw/zinc/52/08/95/599520895.db2.gz CMHBUTJZASAHFH-UHFFFAOYSA-N -1 3 399.415 2.144 20 5 GEBDHM C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327608 599523641 /nfs/dbraw/zinc/52/36/41/599523641.db2.gz HSWGFHNLGNWLKD-SNVBAGLBSA-N -1 3 386.343 2.170 20 5 GEBDHM C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327608 599523644 /nfs/dbraw/zinc/52/36/44/599523644.db2.gz HSWGFHNLGNWLKD-SNVBAGLBSA-N -1 3 386.343 2.170 20 5 GEBDHM C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820327589 599523942 /nfs/dbraw/zinc/52/39/42/599523942.db2.gz HPMHMVANICINRR-GFCCVEGCSA-N -1 3 382.380 2.421 20 5 GEBDHM C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820327589 599523943 /nfs/dbraw/zinc/52/39/43/599523943.db2.gz HPMHMVANICINRR-GFCCVEGCSA-N -1 3 382.380 2.421 20 5 GEBDHM CO[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000821676701 599557360 /nfs/dbraw/zinc/55/73/60/599557360.db2.gz FSOKIJKFUASNGD-LLVKDONJSA-N -1 3 383.290 2.312 20 5 GEBDHM CO[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000821676701 599557363 /nfs/dbraw/zinc/55/73/63/599557363.db2.gz FSOKIJKFUASNGD-LLVKDONJSA-N -1 3 383.290 2.312 20 5 GEBDHM CCn1cc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000821565327 599557553 /nfs/dbraw/zinc/55/75/53/599557553.db2.gz NUCAJDNIKKXWPC-UHFFFAOYSA-N -1 3 379.384 2.176 20 5 GEBDHM CCn1cc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000821565327 599557557 /nfs/dbraw/zinc/55/75/57/599557557.db2.gz NUCAJDNIKKXWPC-UHFFFAOYSA-N -1 3 379.384 2.176 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCc2csc(N3CCCC3)n2)c(-c2nnn[n-]2)c1 ZINC000823640007 599587257 /nfs/dbraw/zinc/58/72/57/599587257.db2.gz OUQGAXLDYVUXSY-UHFFFAOYSA-N -1 3 386.441 2.486 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCc2csc(N3CCCC3)n2)c(-c2nn[n-]n2)c1 ZINC000823640007 599587259 /nfs/dbraw/zinc/58/72/59/599587259.db2.gz OUQGAXLDYVUXSY-UHFFFAOYSA-N -1 3 386.441 2.486 20 5 GEBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821389783 599629641 /nfs/dbraw/zinc/62/96/41/599629641.db2.gz QDLJUAAJJPEJLZ-UHFFFAOYSA-N -1 3 398.379 2.215 20 5 GEBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000821389783 599629642 /nfs/dbraw/zinc/62/96/42/599629642.db2.gz QDLJUAAJJPEJLZ-UHFFFAOYSA-N -1 3 398.379 2.215 20 5 GEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619118 599686602 /nfs/dbraw/zinc/68/66/02/599686602.db2.gz KEQMXYZIIIHSQB-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619118 599686603 /nfs/dbraw/zinc/68/66/03/599686603.db2.gz KEQMXYZIIIHSQB-LBPRGKRZSA-N -1 3 389.416 2.221 20 5 GEBDHM CCN1CCN(C[C@@H](C)CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737116202 599854121 /nfs/dbraw/zinc/85/41/21/599854121.db2.gz OUMLVOQYVMUEBY-PKYBCLHXSA-N -1 3 376.457 2.378 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000821745496 607415436 /nfs/dbraw/zinc/41/54/36/607415436.db2.gz YXALVSOQXPBMDP-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000821745496 607415439 /nfs/dbraw/zinc/41/54/39/607415439.db2.gz YXALVSOQXPBMDP-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM Cc1ccc(C(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1[N+](=O)[O-] ZINC000826282241 607467960 /nfs/dbraw/zinc/46/79/60/607467960.db2.gz FJSOZEHEUDTBSI-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM Cc1ccc(C(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1[N+](=O)[O-] ZINC000826282241 607467961 /nfs/dbraw/zinc/46/79/61/607467961.db2.gz FJSOZEHEUDTBSI-UHFFFAOYSA-N -1 3 376.336 2.279 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739873546 601973624 /nfs/dbraw/zinc/97/36/24/601973624.db2.gz ZEIOTZBEMCYFCA-CYBMUJFWSA-N -1 3 380.401 2.006 20 5 GEBDHM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000739100780 602432136 /nfs/dbraw/zinc/43/21/36/602432136.db2.gz PHYNJZLKIYTWBT-ACJLOTCBSA-N -1 3 378.429 2.364 20 5 GEBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826453039 607586900 /nfs/dbraw/zinc/58/69/00/607586900.db2.gz SRACTMYPRRSXCB-UHFFFAOYSA-N -1 3 379.258 2.441 20 5 GEBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826453039 607586901 /nfs/dbraw/zinc/58/69/01/607586901.db2.gz SRACTMYPRRSXCB-UHFFFAOYSA-N -1 3 379.258 2.441 20 5 GEBDHM COc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826196388 607592102 /nfs/dbraw/zinc/59/21/02/607592102.db2.gz ZPXWYFVERVRUGS-UHFFFAOYSA-N -1 3 396.407 2.378 20 5 GEBDHM COc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826196388 607592104 /nfs/dbraw/zinc/59/21/04/607592104.db2.gz ZPXWYFVERVRUGS-UHFFFAOYSA-N -1 3 396.407 2.378 20 5 GEBDHM COc1ccc(COC(=O)CCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205090 607611912 /nfs/dbraw/zinc/61/19/12/607611912.db2.gz JWBNQTHPFVUNEE-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM COc1ccc(COC(=O)CCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205090 607611913 /nfs/dbraw/zinc/61/19/13/607611913.db2.gz JWBNQTHPFVUNEE-UHFFFAOYSA-N -1 3 383.364 2.460 20 5 GEBDHM O=C([O-])/C=C1\SCC(=O)N1CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000833196409 604802271 /nfs/dbraw/zinc/80/22/71/604802271.db2.gz STSDISIWFDYSPM-YVLHZVERSA-N -1 3 391.449 2.451 20 5 GEBDHM CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830608581 604915559 /nfs/dbraw/zinc/91/55/59/604915559.db2.gz DSTSPJZEYFNKPQ-UHFFFAOYSA-N -1 3 387.392 2.203 20 5 GEBDHM CCN1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833657682 605007400 /nfs/dbraw/zinc/00/74/00/605007400.db2.gz NULOUXJSKMRPQK-RISCZKNCSA-N -1 3 381.454 2.232 20 5 GEBDHM CCN1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833657683 605007449 /nfs/dbraw/zinc/00/74/49/605007449.db2.gz NULOUXJSKMRPQK-SMDDNHRTSA-N -1 3 381.454 2.232 20 5 GEBDHM COc1cc(NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc(OC)c1 ZINC000826180818 607729977 /nfs/dbraw/zinc/72/99/77/607729977.db2.gz YEBOAGCZAIGUKJ-UHFFFAOYSA-N -1 3 385.384 2.316 20 5 GEBDHM COc1cc(NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc(OC)c1 ZINC000826180818 607729979 /nfs/dbraw/zinc/72/99/79/607729979.db2.gz YEBOAGCZAIGUKJ-UHFFFAOYSA-N -1 3 385.384 2.316 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000826500880 607737727 /nfs/dbraw/zinc/73/77/27/607737727.db2.gz PWPULKJEEYQSOM-LLVKDONJSA-N -1 3 387.787 2.481 20 5 GEBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000826500880 607737728 /nfs/dbraw/zinc/73/77/28/607737728.db2.gz PWPULKJEEYQSOM-LLVKDONJSA-N -1 3 387.787 2.481 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823639988 606145876 /nfs/dbraw/zinc/14/58/76/606145876.db2.gz OJDKDDJIBRIVTM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000823639988 606145878 /nfs/dbraw/zinc/14/58/78/606145878.db2.gz OJDKDDJIBRIVTM-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C1[C@H](N2CCc3cc([N+](=O)[O-])ccc32)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503116 606244225 /nfs/dbraw/zinc/24/42/25/606244225.db2.gz BQQFUMVOFZLAGQ-CQSZACIVSA-N -1 3 397.420 2.004 20 5 GEBDHM O=C1[C@H](N2CCc3cc([N+](=O)[O-])ccc32)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503116 606244226 /nfs/dbraw/zinc/24/42/26/606244226.db2.gz BQQFUMVOFZLAGQ-CQSZACIVSA-N -1 3 397.420 2.004 20 5 GEBDHM O=C1[C@H](Nc2ccc(F)c(-c3nnn[n-]3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513691 606248782 /nfs/dbraw/zinc/24/87/82/606248782.db2.gz WMIRNPKVKMJIBF-OAHLLOKOSA-N -1 3 383.343 2.131 20 5 GEBDHM O=C1[C@H](Nc2ccc(F)c(-c3nn[n-]n3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513691 606248784 /nfs/dbraw/zinc/24/87/84/606248784.db2.gz WMIRNPKVKMJIBF-OAHLLOKOSA-N -1 3 383.343 2.131 20 5 GEBDHM C[C@@H](N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000820419408 606301374 /nfs/dbraw/zinc/30/13/74/606301374.db2.gz GTARLULZGIUVJI-QMTHXVAHSA-N -1 3 399.436 2.293 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821648113 606367254 /nfs/dbraw/zinc/36/72/54/606367254.db2.gz BGGLCZQANDCACA-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821648113 606367255 /nfs/dbraw/zinc/36/72/55/606367255.db2.gz BGGLCZQANDCACA-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648414 606373536 /nfs/dbraw/zinc/37/35/36/606373536.db2.gz JKJSJBCEWNMTHP-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648414 606373538 /nfs/dbraw/zinc/37/35/38/606373538.db2.gz JKJSJBCEWNMTHP-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM CC(C)(C)N1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000819914393 606421025 /nfs/dbraw/zinc/42/10/25/606421025.db2.gz RINGGGYWOSOOIB-JTQLQIEISA-N -1 3 396.411 2.134 20 5 GEBDHM CC(C)(C)N1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000819914393 606421027 /nfs/dbraw/zinc/42/10/27/606421027.db2.gz RINGGGYWOSOOIB-JTQLQIEISA-N -1 3 396.411 2.134 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823629912 606423288 /nfs/dbraw/zinc/42/32/88/606423288.db2.gz LPVJZOJTGXDIKD-GFCCVEGCSA-N -1 3 382.384 2.419 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823629912 606423289 /nfs/dbraw/zinc/42/32/89/606423289.db2.gz LPVJZOJTGXDIKD-GFCCVEGCSA-N -1 3 382.384 2.419 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821572072 606479368 /nfs/dbraw/zinc/47/93/68/606479368.db2.gz QGHVQVLPOWIHOE-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821572072 606479370 /nfs/dbraw/zinc/47/93/70/606479370.db2.gz QGHVQVLPOWIHOE-GFCCVEGCSA-N -1 3 389.416 2.221 20 5 GEBDHM Nc1c(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822904437 606520592 /nfs/dbraw/zinc/52/05/92/606520592.db2.gz YXHUWODJEUVRKJ-UHFFFAOYSA-N -1 3 399.436 2.020 20 5 GEBDHM Nc1c(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000822904437 606520594 /nfs/dbraw/zinc/52/05/94/606520594.db2.gz YXHUWODJEUVRKJ-UHFFFAOYSA-N -1 3 399.436 2.020 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000819957782 606704300 /nfs/dbraw/zinc/70/43/00/606704300.db2.gz DMNJHECVWICUAE-SNVBAGLBSA-N -1 3 383.416 2.091 20 5 GEBDHM CC(C)(C)c1cn2c(n1)CC[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000819957782 606704301 /nfs/dbraw/zinc/70/43/01/606704301.db2.gz DMNJHECVWICUAE-SNVBAGLBSA-N -1 3 383.416 2.091 20 5 GEBDHM O=C(C1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822917437 606725554 /nfs/dbraw/zinc/72/55/54/606725554.db2.gz UOVROOZSJMISBE-CYBMUJFWSA-N -1 3 385.428 2.368 20 5 GEBDHM O=C(C1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822917437 606725555 /nfs/dbraw/zinc/72/55/55/606725555.db2.gz UOVROOZSJMISBE-CYBMUJFWSA-N -1 3 385.428 2.368 20 5 GEBDHM COC(=O)c1cc(OCCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821667863 606839492 /nfs/dbraw/zinc/83/94/92/606839492.db2.gz DTGZMBCOTBOBSE-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM COC(=O)c1cc(OCCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821667863 606839493 /nfs/dbraw/zinc/83/94/93/606839493.db2.gz DTGZMBCOTBOBSE-UHFFFAOYSA-N -1 3 399.363 2.409 20 5 GEBDHM COCCOCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821693162 606858559 /nfs/dbraw/zinc/85/85/59/606858559.db2.gz UWYHFMLAXJEAON-UHFFFAOYSA-N -1 3 398.423 2.445 20 5 GEBDHM COCCOCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821693162 606858561 /nfs/dbraw/zinc/85/85/61/606858561.db2.gz UWYHFMLAXJEAON-UHFFFAOYSA-N -1 3 398.423 2.445 20 5 GEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823014822 606947326 /nfs/dbraw/zinc/94/73/26/606947326.db2.gz UUUNGJDVEINNGG-UHFFFAOYSA-N -1 3 398.379 2.199 20 5 GEBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823014822 606947327 /nfs/dbraw/zinc/94/73/27/606947327.db2.gz UUUNGJDVEINNGG-UHFFFAOYSA-N -1 3 398.379 2.199 20 5 GEBDHM O=C1[C@@H](Oc2ccc(-c3nnn[n-]3)cc2F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823510902 607135482 /nfs/dbraw/zinc/13/54/82/607135482.db2.gz BZAQFMJWYUADIT-HNNXBMFYSA-N -1 3 384.327 2.098 20 5 GEBDHM O=C1[C@@H](Oc2ccc(-c3nn[n-]n3)cc2F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823510902 607135484 /nfs/dbraw/zinc/13/54/84/607135484.db2.gz BZAQFMJWYUADIT-HNNXBMFYSA-N -1 3 384.327 2.098 20 5 GEBDHM O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1sccc1-c1nnn[n-]1 ZINC000822992127 607177912 /nfs/dbraw/zinc/17/79/12/607177912.db2.gz IZOAQOFHXVAMSF-UHFFFAOYSA-N -1 3 399.436 2.440 20 5 GEBDHM O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1sccc1-c1nn[n-]n1 ZINC000822992127 607177913 /nfs/dbraw/zinc/17/79/13/607177913.db2.gz IZOAQOFHXVAMSF-UHFFFAOYSA-N -1 3 399.436 2.440 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823249979 607234804 /nfs/dbraw/zinc/23/48/04/607234804.db2.gz NQEPJWDIWZIFGN-UHFFFAOYSA-N -1 3 378.270 2.122 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823249979 607234805 /nfs/dbraw/zinc/23/48/05/607234805.db2.gz NQEPJWDIWZIFGN-UHFFFAOYSA-N -1 3 378.270 2.122 20 5 GEBDHM CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371979 607796589 /nfs/dbraw/zinc/79/65/89/607796589.db2.gz PIONQFRCMAAECJ-UHFFFAOYSA-N -1 3 398.379 2.215 20 5 GEBDHM CCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371979 607796590 /nfs/dbraw/zinc/79/65/90/607796590.db2.gz PIONQFRCMAAECJ-UHFFFAOYSA-N -1 3 398.379 2.215 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@]3(CCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000826498967 607811112 /nfs/dbraw/zinc/81/11/12/607811112.db2.gz QCUCQINAOOSWIF-LJQANCHMSA-N -1 3 378.392 2.453 20 5 GEBDHM O=[N+]([O-])c1ccc(N2CCO[C@]3(CCc4ccccc43)C2)c(-c2nn[n-]n2)c1 ZINC000826498967 607811113 /nfs/dbraw/zinc/81/11/13/607811113.db2.gz QCUCQINAOOSWIF-LJQANCHMSA-N -1 3 378.392 2.453 20 5 GEBDHM CN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)c1ccccc1-c1nnn[n-]1 ZINC000825953517 607847451 /nfs/dbraw/zinc/84/74/51/607847451.db2.gz JEZCMSVBDPBDBS-UHFFFAOYSA-N -1 3 394.395 2.111 20 5 GEBDHM CN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)c1ccccc1-c1nn[n-]n1 ZINC000825953517 607847452 /nfs/dbraw/zinc/84/74/52/607847452.db2.gz JEZCMSVBDPBDBS-UHFFFAOYSA-N -1 3 394.395 2.111 20 5 GEBDHM CCOC(=O)CN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825512155 607934130 /nfs/dbraw/zinc/93/41/30/607934130.db2.gz WEQGWPWXEMDUIQ-UHFFFAOYSA-N -1 3 396.407 2.387 20 5 GEBDHM CCOC(=O)CN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825512155 607934131 /nfs/dbraw/zinc/93/41/31/607934131.db2.gz WEQGWPWXEMDUIQ-UHFFFAOYSA-N -1 3 396.407 2.387 20 5 GEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826442261 607940317 /nfs/dbraw/zinc/94/03/17/607940317.db2.gz OWVUUPDFPPSTBO-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826442261 607940318 /nfs/dbraw/zinc/94/03/18/607940318.db2.gz OWVUUPDFPPSTBO-UHFFFAOYSA-N -1 3 379.380 2.043 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826176194 607942752 /nfs/dbraw/zinc/94/27/52/607942752.db2.gz GDWFYLOTDSXPEF-UHFFFAOYSA-N -1 3 396.407 2.221 20 5 GEBDHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826469174 607957156 /nfs/dbraw/zinc/95/71/56/607957156.db2.gz XBPFEKPMBHFLGY-UHFFFAOYSA-N -1 3 386.318 2.252 20 5 GEBDHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826469174 607957157 /nfs/dbraw/zinc/95/71/57/607957157.db2.gz XBPFEKPMBHFLGY-UHFFFAOYSA-N -1 3 386.318 2.252 20 5 GEBDHM Cc1sc(NC(=O)CN2CCc3c2cccc3[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826349474 607957800 /nfs/dbraw/zinc/95/78/00/607957800.db2.gz ITGIMOOZTVRSQZ-UHFFFAOYSA-N -1 3 399.436 2.454 20 5 GEBDHM Cc1sc(NC(=O)CN2CCc3c2cccc3[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826349474 607957801 /nfs/dbraw/zinc/95/78/01/607957801.db2.gz ITGIMOOZTVRSQZ-UHFFFAOYSA-N -1 3 399.436 2.454 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826497353 607970084 /nfs/dbraw/zinc/97/00/84/607970084.db2.gz DOECFKLWDQKVCZ-XHDPSFHLSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826497353 607970085 /nfs/dbraw/zinc/97/00/85/607970085.db2.gz DOECFKLWDQKVCZ-XHDPSFHLSA-N -1 3 388.334 2.365 20 5 GEBDHM C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824497948 607980153 /nfs/dbraw/zinc/98/01/53/607980153.db2.gz AQFWKGQGPSHBEH-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824497948 607980154 /nfs/dbraw/zinc/98/01/54/607980154.db2.gz AQFWKGQGPSHBEH-GFCCVEGCSA-N -1 3 381.396 2.378 20 5 GEBDHM Cc1ccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000826291925 608001797 /nfs/dbraw/zinc/00/17/97/608001797.db2.gz BIVMESCRMOFZFM-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM Cc1ccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000826291925 608001798 /nfs/dbraw/zinc/00/17/98/608001798.db2.gz BIVMESCRMOFZFM-UHFFFAOYSA-N -1 3 393.356 2.131 20 5 GEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824433658 608016929 /nfs/dbraw/zinc/01/69/29/608016929.db2.gz GOCUYWRNXNGBCM-SNVBAGLBSA-N -1 3 393.367 2.436 20 5 GEBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824433658 608016930 /nfs/dbraw/zinc/01/69/30/608016930.db2.gz GOCUYWRNXNGBCM-SNVBAGLBSA-N -1 3 393.367 2.436 20 5 GEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826497958 608067976 /nfs/dbraw/zinc/06/79/76/608067976.db2.gz AMCLYHOSKVYXGP-QGZVFWFLSA-N -1 3 384.371 2.488 20 5 GEBDHM O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826497958 608067977 /nfs/dbraw/zinc/06/79/77/608067977.db2.gz AMCLYHOSKVYXGP-QGZVFWFLSA-N -1 3 384.371 2.488 20 5 GEBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826468308 608122522 /nfs/dbraw/zinc/12/25/22/608122522.db2.gz KVSDGHPQHGJNQT-UHFFFAOYSA-N -1 3 377.320 2.180 20 5 GEBDHM CN(C)c1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825879405 608128538 /nfs/dbraw/zinc/12/85/38/608128538.db2.gz MLEZSRKBWNZXHB-UHFFFAOYSA-N -1 3 382.380 2.127 20 5 GEBDHM CN(C)c1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825879405 608128539 /nfs/dbraw/zinc/12/85/39/608128539.db2.gz MLEZSRKBWNZXHB-UHFFFAOYSA-N -1 3 382.380 2.127 20 5 GEBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000825793150 608176229 /nfs/dbraw/zinc/17/62/29/608176229.db2.gz NPPMEKJBXOWDLN-UHFFFAOYSA-N -1 3 378.352 2.397 20 5 GEBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000825793150 608176231 /nfs/dbraw/zinc/17/62/31/608176231.db2.gz NPPMEKJBXOWDLN-UHFFFAOYSA-N -1 3 378.352 2.397 20 5 GEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826442864 608229560 /nfs/dbraw/zinc/22/95/60/608229560.db2.gz NHLKTCGRQFGQSK-UHFFFAOYSA-N -1 3 375.348 2.253 20 5 GEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826442864 608229562 /nfs/dbraw/zinc/22/95/62/608229562.db2.gz NHLKTCGRQFGQSK-UHFFFAOYSA-N -1 3 375.348 2.253 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000826272906 608336783 /nfs/dbraw/zinc/33/67/83/608336783.db2.gz GUQHSZHFECDQMM-LBPRGKRZSA-N -1 3 394.391 2.440 20 5 GEBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000826272906 608336784 /nfs/dbraw/zinc/33/67/84/608336784.db2.gz GUQHSZHFECDQMM-LBPRGKRZSA-N -1 3 394.391 2.440 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826211976 608350359 /nfs/dbraw/zinc/35/03/59/608350359.db2.gz CCJOMLCMIQOCQZ-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826211976 608350360 /nfs/dbraw/zinc/35/03/60/608350360.db2.gz CCJOMLCMIQOCQZ-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4ncc[nH]4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499535 608377997 /nfs/dbraw/zinc/37/79/97/608377997.db2.gz MMQJRQXBSBBEPG-NSHDSACASA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4ncc[nH]4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499535 608377998 /nfs/dbraw/zinc/37/79/98/608377998.db2.gz MMQJRQXBSBBEPG-NSHDSACASA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4ncc[nH]4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499534 608378037 /nfs/dbraw/zinc/37/80/37/608378037.db2.gz MMQJRQXBSBBEPG-LLVKDONJSA-N -1 3 391.395 2.430 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4ncc[nH]4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499534 608378039 /nfs/dbraw/zinc/37/80/39/608378039.db2.gz MMQJRQXBSBBEPG-LLVKDONJSA-N -1 3 391.395 2.430 20 5 GEBDHM Cc1nccn1-c1ncccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826331006 608383134 /nfs/dbraw/zinc/38/31/34/608383134.db2.gz PJGYGDSUISOROW-UHFFFAOYSA-N -1 3 377.368 2.276 20 5 GEBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824530674 608391623 /nfs/dbraw/zinc/39/16/23/608391623.db2.gz MSSFGPJDLZALPH-NWDGAFQWSA-N -1 3 381.396 2.453 20 5 GEBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824530674 608391625 /nfs/dbraw/zinc/39/16/25/608391625.db2.gz MSSFGPJDLZALPH-NWDGAFQWSA-N -1 3 381.396 2.453 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826112390 608392468 /nfs/dbraw/zinc/39/24/68/608392468.db2.gz ZHAZHYQZXSGDJJ-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM COC(=O)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826112390 608392470 /nfs/dbraw/zinc/39/24/70/608392470.db2.gz ZHAZHYQZXSGDJJ-BDJLRTHQSA-N -1 3 382.380 2.340 20 5 GEBDHM Cc1cc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ncc1[N+](=O)[O-] ZINC000826271591 608410394 /nfs/dbraw/zinc/41/03/94/608410394.db2.gz YCOVFLPRGOITRQ-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cc1cc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ncc1[N+](=O)[O-] ZINC000826271591 608410396 /nfs/dbraw/zinc/41/03/96/608410396.db2.gz YCOVFLPRGOITRQ-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM COc1ccc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826199350 608419137 /nfs/dbraw/zinc/41/91/37/608419137.db2.gz WTXIZYBWBMNKBN-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM COc1ccc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826199350 608419139 /nfs/dbraw/zinc/41/91/39/608419139.db2.gz WTXIZYBWBMNKBN-LLVKDONJSA-N -1 3 397.395 2.344 20 5 GEBDHM CN(Cc1nccn1Cc1ccccc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825999318 608424971 /nfs/dbraw/zinc/42/49/71/608424971.db2.gz WNOISXOBKSHVCG-UHFFFAOYSA-N -1 3 391.395 2.051 20 5 GEBDHM CN(Cc1nccn1Cc1ccccc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825999318 608424973 /nfs/dbraw/zinc/42/49/73/608424973.db2.gz WNOISXOBKSHVCG-UHFFFAOYSA-N -1 3 391.395 2.051 20 5 GEBDHM C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824731338 608433611 /nfs/dbraw/zinc/43/36/11/608433611.db2.gz UQBCAXLTUVLUFB-NEPJUHHUSA-N -1 3 382.380 2.420 20 5 GEBDHM Nc1c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cccc1[N+](=O)[O-] ZINC000826395552 608482198 /nfs/dbraw/zinc/48/21/98/608482198.db2.gz IHMHDPSQINADJD-UHFFFAOYSA-N -1 3 391.391 2.287 20 5 GEBDHM Nc1c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cccc1[N+](=O)[O-] ZINC000826395552 608482199 /nfs/dbraw/zinc/48/21/99/608482199.db2.gz IHMHDPSQINADJD-UHFFFAOYSA-N -1 3 391.391 2.287 20 5 GEBDHM CN(CCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000825937656 608552466 /nfs/dbraw/zinc/55/24/66/608552466.db2.gz GHBCPNLUWMUORY-UHFFFAOYSA-N -1 3 377.405 2.078 20 5 GEBDHM CN(CCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000825937656 608552467 /nfs/dbraw/zinc/55/24/67/608552467.db2.gz GHBCPNLUWMUORY-UHFFFAOYSA-N -1 3 377.405 2.078 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826174149 609306116 /nfs/dbraw/zinc/30/61/16/609306116.db2.gz KMEGQJCQMKYKAD-UHFFFAOYSA-N -1 3 391.290 2.481 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826174149 609306117 /nfs/dbraw/zinc/30/61/17/609306117.db2.gz KMEGQJCQMKYKAD-UHFFFAOYSA-N -1 3 391.290 2.481 20 5 GEBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826442621 609374849 /nfs/dbraw/zinc/37/48/49/609374849.db2.gz DOKXDELHLBBRAW-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826442621 609374852 /nfs/dbraw/zinc/37/48/52/609374852.db2.gz DOKXDELHLBBRAW-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541973679 609375279 /nfs/dbraw/zinc/37/52/79/609375279.db2.gz ZINAWTNCDDFAOY-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541973679 609375282 /nfs/dbraw/zinc/37/52/82/609375282.db2.gz ZINAWTNCDDFAOY-UHFFFAOYSA-N -1 3 390.306 2.306 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826263498 609384593 /nfs/dbraw/zinc/38/45/93/609384593.db2.gz DUENXWNAUWWVNC-UHFFFAOYSA-N -1 3 395.427 2.263 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826263498 609384595 /nfs/dbraw/zinc/38/45/95/609384595.db2.gz DUENXWNAUWWVNC-UHFFFAOYSA-N -1 3 395.427 2.263 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453953 609395891 /nfs/dbraw/zinc/39/58/91/609395891.db2.gz FORNRGCQEKZSGW-HNNXBMFYSA-N -1 3 397.326 2.046 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453953 609395893 /nfs/dbraw/zinc/39/58/93/609395893.db2.gz FORNRGCQEKZSGW-HNNXBMFYSA-N -1 3 397.326 2.046 20 5 GEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465010 609630929 /nfs/dbraw/zinc/63/09/29/609630929.db2.gz VECXCPUWPNZXNZ-AWEZNQCLSA-N -1 3 389.755 2.205 20 5 GEBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465010 609630931 /nfs/dbraw/zinc/63/09/31/609630931.db2.gz VECXCPUWPNZXNZ-AWEZNQCLSA-N -1 3 389.755 2.205 20 5 GEBDHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000452010893 650165615 /nfs/dbraw/zinc/16/56/15/650165615.db2.gz KXJWLTPDEQSNFH-QMMMGPOBSA-N -1 3 384.332 2.232 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000503730578 650421845 /nfs/dbraw/zinc/42/18/45/650421845.db2.gz FOKHJDOXLZJRAC-ZJUUUORDSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2nnc[nH]2)c2ccccc2)s1 ZINC000509715594 650499475 /nfs/dbraw/zinc/49/94/75/650499475.db2.gz WKGZSPZKEKQGBN-LLVKDONJSA-N -1 3 379.423 2.037 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cnn(CC(F)(F)F)c1 ZINC000531657521 650742205 /nfs/dbraw/zinc/74/22/05/650742205.db2.gz VJFMXTVLUWMBAO-UHFFFAOYSA-N -1 3 398.750 2.486 20 5 GEBDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc([N+](=O)[O-])s1 ZINC000127304190 643769667 /nfs/dbraw/zinc/76/96/67/643769667.db2.gz MITIWMOTWUQZEV-UHFFFAOYSA-N -1 3 395.871 2.080 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCO)CCC2)c(C(F)(F)F)c1 ZINC000127397095 643775395 /nfs/dbraw/zinc/77/53/95/643775395.db2.gz ROOOIAXISKSEPG-UHFFFAOYSA-N -1 3 382.360 2.445 20 5 GEBDHM COCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000152778121 643973339 /nfs/dbraw/zinc/97/33/39/643973339.db2.gz XZRQLCQAEYHWSS-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM Cc1ncc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000544263769 650938542 /nfs/dbraw/zinc/93/85/42/650938542.db2.gz DHTHBQPBGFUZBN-UHFFFAOYSA-N -1 3 381.186 2.400 20 5 GEBDHM CCn1nc(C)c([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000192713202 645223418 /nfs/dbraw/zinc/22/34/18/645223418.db2.gz QKIOCLUILSWADL-UHFFFAOYSA-N -1 3 393.878 2.225 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc2ncc(Br)cn2n1 ZINC000194120709 645313711 /nfs/dbraw/zinc/31/37/11/645313711.db2.gz IMUQSYHPFKWEMG-UHFFFAOYSA-N -1 3 393.157 2.056 20 5 GEBDHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271743915 646227672 /nfs/dbraw/zinc/22/76/72/646227672.db2.gz WXRVFRUYQBBEJK-XCBNKYQSSA-N -1 3 388.389 2.004 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)c(Br)c1 ZINC000279753676 646623749 /nfs/dbraw/zinc/62/37/49/646623749.db2.gz 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383.495 2.416 20 5 GEBDHM CCNC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000123176727 532094242 /nfs/dbraw/zinc/09/42/42/532094242.db2.gz SUAHSQLSYAUQOL-UHFFFAOYSA-N -1 3 383.451 2.193 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123530343 532101242 /nfs/dbraw/zinc/10/12/42/532101242.db2.gz RIEBNWOXVOXSBA-VHSXEESVSA-N -1 3 375.472 2.033 20 5 GEBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123826931 532108940 /nfs/dbraw/zinc/10/89/40/532108940.db2.gz FMKGANLFIDMVLJ-SNVBAGLBSA-N -1 3 395.275 2.434 20 5 GEBDHM O=[N+]([O-])c1cc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000127897370 532158169 /nfs/dbraw/zinc/15/81/69/532158169.db2.gz RDAYYNAUZBNONK-UHFFFAOYSA-N -1 3 381.888 2.439 20 5 GEBDHM Cc1ccc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000177849676 532184735 /nfs/dbraw/zinc/18/47/35/532184735.db2.gz BRVIFOVOQWSZKA-NSHDSACASA-N -1 3 383.451 2.120 20 5 GEBDHM C[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000129157148 532174052 /nfs/dbraw/zinc/17/40/52/532174052.db2.gz BBTCEVZDTGYDKF-NXEZZACHSA-N -1 3 375.472 2.261 20 5 GEBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000180941458 532286577 /nfs/dbraw/zinc/28/65/77/532286577.db2.gz NSVMPJUIVHVKLQ-LLVKDONJSA-N -1 3 384.845 2.272 20 5 GEBDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000425205605 532372970 /nfs/dbraw/zinc/37/29/70/532372970.db2.gz OQWOPDFFKNFKOL-SECBINFHSA-N -1 3 385.423 2.186 20 5 GEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(I)cn2)n1 ZINC000191634225 532361732 /nfs/dbraw/zinc/36/17/32/532361732.db2.gz OSPLZXYJXWJICQ-UHFFFAOYSA-N -1 3 387.137 2.063 20 5 GEBDHM O=C(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000425197491 532371700 /nfs/dbraw/zinc/37/17/00/532371700.db2.gz WGLVBYLGOWGXIZ-UHFFFAOYSA-N -1 3 376.381 2.409 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000590764567 532385840 /nfs/dbraw/zinc/38/58/40/532385840.db2.gz SBTLATVQZPYZQA-UHFFFAOYSA-N -1 3 380.369 2.432 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295334439 532436167 /nfs/dbraw/zinc/43/61/67/532436167.db2.gz MBHVAYSYUANZEY-WDEREUQCSA-N -1 3 383.451 2.201 20 5 GEBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000467081488 532437531 /nfs/dbraw/zinc/43/75/31/532437531.db2.gz ABJKOCCOLGDDSZ-AUWXTCHYSA-N -1 3 380.513 2.323 20 5 GEBDHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593654052 532492618 /nfs/dbraw/zinc/49/26/18/532492618.db2.gz PCDOSYKKDUVXIC-SECBINFHSA-N -1 3 393.259 2.451 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000593664591 532494929 /nfs/dbraw/zinc/49/49/29/532494929.db2.gz PCTZKPAOAZRKJU-UHFFFAOYSA-N -1 3 382.360 2.445 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000469243797 532498308 /nfs/dbraw/zinc/49/83/08/532498308.db2.gz PNJFXAIHSSFDPF-VIFPVBQESA-N -1 3 378.353 2.238 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000469317035 532500809 /nfs/dbraw/zinc/50/08/09/532500809.db2.gz IHSAWILNBQJTGN-ZYHUDNBSSA-N -1 3 388.467 2.334 20 5 GEBDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000594702487 532520617 /nfs/dbraw/zinc/52/06/17/532520617.db2.gz YZAITEHEKMXEKR-LLVKDONJSA-N -1 3 384.332 2.066 20 5 GEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@]1(O)CCCOC1 ZINC000595368336 532561342 /nfs/dbraw/zinc/56/13/42/532561342.db2.gz UJOBVCHUCYWOPP-OAHLLOKOSA-N -1 3 392.861 2.094 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCSc1ccccn1 ZINC000565082521 532548841 /nfs/dbraw/zinc/54/88/41/532548841.db2.gz FQWNQYDXYSFBAM-UHFFFAOYSA-N -1 3 383.451 2.459 20 5 GEBDHM CCN(CC)S(=O)(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596066207 532585069 /nfs/dbraw/zinc/58/50/69/532585069.db2.gz ZYVPYJZYEMPIDI-UHFFFAOYSA-N -1 3 386.455 2.400 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000376153224 532598857 /nfs/dbraw/zinc/59/88/57/532598857.db2.gz YAFHPQJGSJQDTQ-IAQYHMDHSA-N -1 3 390.845 2.173 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437557203 532660815 /nfs/dbraw/zinc/66/08/15/532660815.db2.gz MUPOKYVKIMQNEN-UHFFFAOYSA-N -1 3 384.439 2.065 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285273534 532665429 /nfs/dbraw/zinc/66/54/29/532665429.db2.gz JUOGMWHJVUJNBD-CYBMUJFWSA-N -1 3 387.849 2.361 20 5 GEBDHM CCn1cc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000285470642 532683105 /nfs/dbraw/zinc/68/31/05/532683105.db2.gz BYXXZAVCOLTMDX-UHFFFAOYSA-N -1 3 389.231 2.052 20 5 GEBDHM CCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000285606370 532695409 /nfs/dbraw/zinc/69/54/09/532695409.db2.gz MIGGEUGERJIJED-UHFFFAOYSA-N -1 3 378.332 2.309 20 5 GEBDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000285748392 532704160 /nfs/dbraw/zinc/70/41/60/532704160.db2.gz WIXURGDNPNQCSA-VHSXEESVSA-N -1 3 393.259 2.308 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1nnc(C(C)C)s1 ZINC000490474032 532711056 /nfs/dbraw/zinc/71/10/56/532711056.db2.gz ZIKMMGWXAUVMKE-UHFFFAOYSA-N -1 3 386.455 2.099 20 5 GEBDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000539222409 532727002 /nfs/dbraw/zinc/72/70/02/532727002.db2.gz CWEGHAPKXXBOEE-TVQRCGJNSA-N -1 3 393.259 2.451 20 5 GEBDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443299891 532744710 /nfs/dbraw/zinc/74/47/10/532744710.db2.gz JSYSCIYBXWMQSA-GFCCVEGCSA-N -1 3 381.248 2.187 20 5 GEBDHM Cc1cc([N+](=O)[O-])cnc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000301775090 532759528 /nfs/dbraw/zinc/75/95/28/532759528.db2.gz GDHDBPXXRPNYDG-UHFFFAOYSA-N -1 3 376.847 2.404 20 5 GEBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443514910 532748575 /nfs/dbraw/zinc/74/85/75/532748575.db2.gz ZCQUUAWEMDJFNX-SECBINFHSA-N -1 3 395.275 2.433 20 5 GEBDHM CS[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000541309233 532751649 /nfs/dbraw/zinc/75/16/49/532751649.db2.gz WBAUQRRMYIZHMI-AWEZNQCLSA-N -1 3 390.483 2.422 20 5 GEBDHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000542238521 532767579 /nfs/dbraw/zinc/76/75/79/532767579.db2.gz WEBDJFJCWFDGPG-PELKAZGASA-N -1 3 379.232 2.203 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000327967736 532793129 /nfs/dbraw/zinc/79/31/29/532793129.db2.gz NGQUBDMZUOPNDO-JTQLQIEISA-N -1 3 384.435 2.352 20 5 GEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000271276281 532806522 /nfs/dbraw/zinc/80/65/22/532806522.db2.gz PMULIMLZRCXJCQ-WPRPVWTQSA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000331346677 532838129 /nfs/dbraw/zinc/83/81/29/532838129.db2.gz RNMQRJSCXXOWGZ-LBPRGKRZSA-N -1 3 379.232 2.205 20 5 GEBDHM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000332507345 532856590 /nfs/dbraw/zinc/85/65/90/532856590.db2.gz YGZBZTIKFXGQNP-DZGCQCFKSA-N -1 3 392.861 2.093 20 5 GEBDHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000332507348 532856939 /nfs/dbraw/zinc/85/69/39/532856939.db2.gz YGZBZTIKFXGQNP-HIFRSBDPSA-N -1 3 392.861 2.093 20 5 GEBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275076901 532863433 /nfs/dbraw/zinc/86/34/33/532863433.db2.gz MFAFDZVXTVPHHR-UHFFFAOYSA-N -1 3 378.422 2.210 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C1CC1 ZINC000416436902 532876961 /nfs/dbraw/zinc/87/69/61/532876961.db2.gz FEAYZOKMOHVCNC-ZWNOBZJWSA-N -1 3 380.344 2.459 20 5 GEBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000275496288 532877038 /nfs/dbraw/zinc/87/70/38/532877038.db2.gz YYOJMLFERWQXHL-YGRLFVJLSA-N -1 3 376.406 2.224 20 5 GEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000293927630 532933451 /nfs/dbraw/zinc/93/34/51/532933451.db2.gz YNEJVGZQKVPMTD-NSHDSACASA-N -1 3 381.248 2.185 20 5 GEBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737919035 598834882 /nfs/dbraw/zinc/83/48/82/598834882.db2.gz IQIPSZLQAIIFJU-UHFFFAOYSA-N -1 3 396.407 2.293 20 5 GEBDHM Cc1ccc(NCCCNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000737362791 598839087 /nfs/dbraw/zinc/83/90/87/598839087.db2.gz WUWUAWBEKHZERJ-UHFFFAOYSA-N -1 3 395.423 2.244 20 5 GEBDHM Cc1ccc(NCCCNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000737362791 598839089 /nfs/dbraw/zinc/83/90/89/598839089.db2.gz WUWUAWBEKHZERJ-UHFFFAOYSA-N -1 3 395.423 2.244 20 5 GEBDHM Cc1ccc(NCCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737362446 598857129 /nfs/dbraw/zinc/85/71/29/598857129.db2.gz PEZGDNUGNBRHBV-UHFFFAOYSA-N -1 3 399.371 2.301 20 5 GEBDHM Cc1ccc(NCCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737362446 598857131 /nfs/dbraw/zinc/85/71/31/598857131.db2.gz PEZGDNUGNBRHBV-UHFFFAOYSA-N -1 3 399.371 2.301 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737115161 598883779 /nfs/dbraw/zinc/88/37/79/598883779.db2.gz LNTJODZNAOOONF-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737115161 598883780 /nfs/dbraw/zinc/88/37/80/598883780.db2.gz LNTJODZNAOOONF-NSHDSACASA-N -1 3 399.363 2.408 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736897265 598894325 /nfs/dbraw/zinc/89/43/25/598894325.db2.gz DTSYWKJQTQOWDT-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736897265 598894326 /nfs/dbraw/zinc/89/43/26/598894326.db2.gz DTSYWKJQTQOWDT-OAHLLOKOSA-N -1 3 397.347 2.154 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000737033014 598938431 /nfs/dbraw/zinc/93/84/31/598938431.db2.gz RAHYZXPQZPSBAS-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000737033014 598938432 /nfs/dbraw/zinc/93/84/32/598938432.db2.gz RAHYZXPQZPSBAS-UHFFFAOYSA-N -1 3 375.316 2.380 20 5 GEBDHM O=C1CCCCN1CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000823530471 599084418 /nfs/dbraw/zinc/08/44/18/599084418.db2.gz LCRHMCOHVVCKQQ-UHFFFAOYSA-N -1 3 385.428 2.004 20 5 GEBDHM O=C1CCCCN1CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000823530471 599084421 /nfs/dbraw/zinc/08/44/21/599084421.db2.gz LCRHMCOHVVCKQQ-UHFFFAOYSA-N -1 3 385.428 2.004 20 5 GEBDHM COCCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989021 599113459 /nfs/dbraw/zinc/11/34/59/599113459.db2.gz PNOWVPJSAGBLGW-NYYWCZLTSA-N -1 3 394.391 2.468 20 5 GEBDHM COCCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989021 599113462 /nfs/dbraw/zinc/11/34/62/599113462.db2.gz PNOWVPJSAGBLGW-NYYWCZLTSA-N -1 3 394.391 2.468 20 5 GEBDHM O=Cc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c([N+](=O)[O-])c1 ZINC000738312785 599160214 /nfs/dbraw/zinc/16/02/14/599160214.db2.gz DKHCRNLKBZZZSU-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM O=Cc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000738312785 599160216 /nfs/dbraw/zinc/16/02/16/599160216.db2.gz DKHCRNLKBZZZSU-UHFFFAOYSA-N -1 3 393.319 2.216 20 5 GEBDHM COc1ccc(C=C2N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1-c1nnn[n-]1 ZINC000737085177 599175680 /nfs/dbraw/zinc/17/56/80/599175680.db2.gz ZAYVCTMAERCFMZ-ZSOIEALJSA-N -1 3 392.331 2.128 20 5 GEBDHM COc1ccc(C=C2N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1-c1nn[n-]n1 ZINC000737085177 599175682 /nfs/dbraw/zinc/17/56/82/599175682.db2.gz ZAYVCTMAERCFMZ-ZSOIEALJSA-N -1 3 392.331 2.128 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000822271394 607328197 /nfs/dbraw/zinc/32/81/97/607328197.db2.gz YVAQECWTXGQANJ-UHFFFAOYSA-N -1 3 378.345 2.023 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823651109 607331358 /nfs/dbraw/zinc/33/13/58/607331358.db2.gz GFAFLFGROFUIJG-SNVBAGLBSA-N -1 3 377.430 2.027 20 5 GEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823651109 607331359 /nfs/dbraw/zinc/33/13/59/607331359.db2.gz GFAFLFGROFUIJG-SNVBAGLBSA-N -1 3 377.430 2.027 20 5 GEBDHM COc1cccc(N2C[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2=O)c1 ZINC000737137757 598248027 /nfs/dbraw/zinc/24/80/27/598248027.db2.gz DPZYDXLHVPYKFD-NSHDSACASA-N -1 3 395.379 2.001 20 5 GEBDHM COc1cccc(N2C[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2=O)c1 ZINC000737137757 598248029 /nfs/dbraw/zinc/24/80/29/598248029.db2.gz DPZYDXLHVPYKFD-NSHDSACASA-N -1 3 395.379 2.001 20 5 GEBDHM O=[N+]([O-])c1cc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cs1 ZINC000738361213 598256921 /nfs/dbraw/zinc/25/69/21/598256921.db2.gz WNUATAKCQNBGNF-UHFFFAOYSA-N -1 3 389.416 2.298 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000737221492 598271922 /nfs/dbraw/zinc/27/19/22/598271922.db2.gz LBIDVQCURAJKTC-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000737221492 598271924 /nfs/dbraw/zinc/27/19/24/598271924.db2.gz LBIDVQCURAJKTC-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM COc1cc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737040089 598289439 /nfs/dbraw/zinc/28/94/39/598289439.db2.gz DPQVHFZSQYXRAD-UHFFFAOYSA-N -1 3 385.336 2.019 20 5 GEBDHM COc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737086322 598387551 /nfs/dbraw/zinc/38/75/51/598387551.db2.gz HOGZPGSTMDANSA-SNVBAGLBSA-N -1 3 385.384 2.230 20 5 GEBDHM COc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737086322 598387553 /nfs/dbraw/zinc/38/75/53/598387553.db2.gz HOGZPGSTMDANSA-SNVBAGLBSA-N -1 3 385.384 2.230 20 5 GEBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823443434 607356515 /nfs/dbraw/zinc/35/65/15/607356515.db2.gz CLSCCKDFAHVWSV-INIZCTEOSA-N -1 3 398.354 2.488 20 5 GEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738173919 598576868 /nfs/dbraw/zinc/57/68/68/598576868.db2.gz HHEIIRCMINHGNV-MRXNPFEDSA-N -1 3 379.380 2.382 20 5 GEBDHM C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115718 598597250 /nfs/dbraw/zinc/59/72/50/598597250.db2.gz AOJLXFSOUVHQBO-GFCCVEGCSA-N -1 3 397.395 2.214 20 5 GEBDHM C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115718 598597251 /nfs/dbraw/zinc/59/72/51/598597251.db2.gz AOJLXFSOUVHQBO-GFCCVEGCSA-N -1 3 397.395 2.214 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737117481 598649013 /nfs/dbraw/zinc/64/90/13/598649013.db2.gz WQDDKJMPZHUHON-UHFFFAOYSA-N -1 3 387.377 2.481 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737117481 598649015 /nfs/dbraw/zinc/64/90/15/598649015.db2.gz WQDDKJMPZHUHON-UHFFFAOYSA-N -1 3 387.377 2.481 20 5 GEBDHM Cc1nc(CN2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)oc1C ZINC000737476132 598672449 /nfs/dbraw/zinc/67/24/49/598672449.db2.gz DBCIPJRCXRGZMG-UHFFFAOYSA-N -1 3 398.427 2.092 20 5 GEBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000738366589 598685889 /nfs/dbraw/zinc/68/58/89/598685889.db2.gz FODQXYXWYBDQGE-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415572 607367748 /nfs/dbraw/zinc/36/77/48/607367748.db2.gz KGCYBQJVMLVEMB-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415572 607367750 /nfs/dbraw/zinc/36/77/50/607367750.db2.gz KGCYBQJVMLVEMB-UHFFFAOYSA-N -1 3 392.331 2.296 20 5 GEBDHM Cc1nc2n(c1C)CCN(c1cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC000822461880 599512144 /nfs/dbraw/zinc/51/21/44/599512144.db2.gz BBPBIFIJMQTPTH-UHFFFAOYSA-N -1 3 391.395 2.157 20 5 GEBDHM Cc1nc2n(c1C)CCN(c1cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC000822461880 599512147 /nfs/dbraw/zinc/51/21/47/599512147.db2.gz BBPBIFIJMQTPTH-UHFFFAOYSA-N -1 3 391.395 2.157 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645493 599527144 /nfs/dbraw/zinc/52/71/44/599527144.db2.gz RGAOWJPTAOKDGS-AWEZNQCLSA-N -1 3 391.391 2.339 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)Cc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645493 599527146 /nfs/dbraw/zinc/52/71/46/599527146.db2.gz RGAOWJPTAOKDGS-AWEZNQCLSA-N -1 3 391.391 2.339 20 5 GEBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000822911826 607382435 /nfs/dbraw/zinc/38/24/35/607382435.db2.gz AWDVRHPIESAEOC-UHFFFAOYSA-N -1 3 378.805 2.030 20 5 GEBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000822911826 607382437 /nfs/dbraw/zinc/38/24/37/607382437.db2.gz AWDVRHPIESAEOC-UHFFFAOYSA-N -1 3 378.805 2.030 20 5 GEBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737944224 599546904 /nfs/dbraw/zinc/54/69/04/599546904.db2.gz YDYWKUSRKLJTEB-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737944224 599546906 /nfs/dbraw/zinc/54/69/06/599546906.db2.gz YDYWKUSRKLJTEB-UHFFFAOYSA-N -1 3 382.405 2.456 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822270865 599667389 /nfs/dbraw/zinc/66/73/89/599667389.db2.gz AWGGDGAULNSFHG-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822270865 599667390 /nfs/dbraw/zinc/66/73/90/599667390.db2.gz AWGGDGAULNSFHG-NSHDSACASA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1c(CC(=O)OCCOc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236656 607390487 /nfs/dbraw/zinc/39/04/87/607390487.db2.gz WULFGZOGUQMCJN-UHFFFAOYSA-N -1 3 383.364 2.248 20 5 GEBDHM Cc1c(CC(=O)OCCOc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236656 607390489 /nfs/dbraw/zinc/39/04/89/607390489.db2.gz WULFGZOGUQMCJN-UHFFFAOYSA-N -1 3 383.364 2.248 20 5 GEBDHM CCN1CCN(C[C@H](C)CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737116206 599854022 /nfs/dbraw/zinc/85/40/22/599854022.db2.gz OUMLVOQYVMUEBY-ZQMJAJRESA-N -1 3 376.457 2.378 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826190449 607404805 /nfs/dbraw/zinc/40/48/05/607404805.db2.gz BRMUHDGTKDCFEQ-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM COc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826190449 607404806 /nfs/dbraw/zinc/40/48/06/607404806.db2.gz BRMUHDGTKDCFEQ-UHFFFAOYSA-N -1 3 383.364 2.378 20 5 GEBDHM O=C([O-])c1cc(NC(=O)CC2(N3CCOCC3)CCCC2)cc([N+](=O)[O-])c1 ZINC000833094328 600975276 /nfs/dbraw/zinc/97/52/76/600975276.db2.gz AXRXJAKGUSJTMQ-UHFFFAOYSA-N -1 3 377.397 2.267 20 5 GEBDHM CCn1nc(C)cc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825807294 607522720 /nfs/dbraw/zinc/52/27/20/607522720.db2.gz POPXCUAXZHLOCQ-UHFFFAOYSA-N -1 3 376.764 2.205 20 5 GEBDHM CCn1nc(C)cc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825807294 607522721 /nfs/dbraw/zinc/52/27/21/607522721.db2.gz POPXCUAXZHLOCQ-UHFFFAOYSA-N -1 3 376.764 2.205 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826293182 607591029 /nfs/dbraw/zinc/59/10/29/607591029.db2.gz DXUNRIXNAPSSJW-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1-c1nnn[n-]1 ZINC000826205975 607599045 /nfs/dbraw/zinc/59/90/45/607599045.db2.gz WPMRBJBCEDFNSL-UHFFFAOYSA-N -1 3 398.379 2.207 20 5 GEBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1-c1nn[n-]n1 ZINC000826205975 607599046 /nfs/dbraw/zinc/59/90/46/607599046.db2.gz WPMRBJBCEDFNSL-UHFFFAOYSA-N -1 3 398.379 2.207 20 5 GEBDHM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826499605 607673157 /nfs/dbraw/zinc/67/31/57/607673157.db2.gz PFEXQCKGBSIBSE-UHFFFAOYSA-N -1 3 381.757 2.196 20 5 GEBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000833417487 604935349 /nfs/dbraw/zinc/93/53/49/604935349.db2.gz RMXGAJDYRNBLOJ-AWEZNQCLSA-N -1 3 375.425 2.307 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826497380 607734537 /nfs/dbraw/zinc/73/45/37/607734537.db2.gz FRHSJMAYYIABRU-ABAIWWIYSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826497380 607734538 /nfs/dbraw/zinc/73/45/38/607734538.db2.gz FRHSJMAYYIABRU-ABAIWWIYSA-N -1 3 388.334 2.365 20 5 GEBDHM CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)[O-])CC1 ZINC000826897632 605480101 /nfs/dbraw/zinc/48/01/01/605480101.db2.gz MKZVDHPRCYSISS-UHFFFAOYSA-N -1 3 378.429 2.412 20 5 GEBDHM Cn1c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)ccc1[N+](=O)[O-] ZINC000826355047 607768669 /nfs/dbraw/zinc/76/86/69/607768669.db2.gz HYWGMKWMOFSWST-UHFFFAOYSA-N -1 3 396.392 2.489 20 5 GEBDHM Cn1c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)ccc1[N+](=O)[O-] ZINC000826355047 607768670 /nfs/dbraw/zinc/76/86/70/607768670.db2.gz HYWGMKWMOFSWST-UHFFFAOYSA-N -1 3 396.392 2.489 20 5 GEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823032489 606172335 /nfs/dbraw/zinc/17/23/35/606172335.db2.gz WESZGJCYMBGDMM-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823032489 606172337 /nfs/dbraw/zinc/17/23/37/606172337.db2.gz WESZGJCYMBGDMM-UHFFFAOYSA-N -1 3 388.771 2.124 20 5 GEBDHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000821649757 606315658 /nfs/dbraw/zinc/31/56/58/606315658.db2.gz CSPVYCDVWVZYCV-MRXNPFEDSA-N -1 3 382.380 2.121 20 5 GEBDHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000821649757 606315659 /nfs/dbraw/zinc/31/56/59/606315659.db2.gz CSPVYCDVWVZYCV-MRXNPFEDSA-N -1 3 382.380 2.121 20 5 GEBDHM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229446 606435897 /nfs/dbraw/zinc/43/58/97/606435897.db2.gz UZLSTGQJXSZCFV-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229446 606435898 /nfs/dbraw/zinc/43/58/98/606435898.db2.gz UZLSTGQJXSZCFV-LLVKDONJSA-N -1 3 388.409 2.123 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820507797 606562697 /nfs/dbraw/zinc/56/26/97/606562697.db2.gz KPGKYBCLYJZYCH-MRVPVSSYSA-N -1 3 388.365 2.020 20 5 GEBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820507797 606562698 /nfs/dbraw/zinc/56/26/98/606562698.db2.gz KPGKYBCLYJZYCH-MRVPVSSYSA-N -1 3 388.365 2.020 20 5 GEBDHM Cc1cccc(NC(=O)CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1C ZINC000822324193 606644883 /nfs/dbraw/zinc/64/48/83/606644883.db2.gz XIXQDPOKXSCVDD-UHFFFAOYSA-N -1 3 381.396 2.467 20 5 GEBDHM O=C(CC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000822946144 606645050 /nfs/dbraw/zinc/64/50/50/606645050.db2.gz WGDHRYUYVKGSLZ-UHFFFAOYSA-N -1 3 385.428 2.004 20 5 GEBDHM O=C(C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000822916788 606645322 /nfs/dbraw/zinc/64/53/22/606645322.db2.gz DEZTXIGITFXQRY-UHFFFAOYSA-N -1 3 385.428 2.004 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2ncc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651163 606792605 /nfs/dbraw/zinc/79/26/05/606792605.db2.gz HNACQLJGCDILIJ-UHFFFAOYSA-N -1 3 397.182 2.363 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCOc2ncc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000823651163 606792606 /nfs/dbraw/zinc/79/26/06/606792606.db2.gz HNACQLJGCDILIJ-UHFFFAOYSA-N -1 3 397.182 2.363 20 5 GEBDHM Cc1cc(F)c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC000822203058 606820918 /nfs/dbraw/zinc/82/09/18/606820918.db2.gz BUDWZQKWAFQAQH-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc(F)c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC000822203058 606820920 /nfs/dbraw/zinc/82/09/20/606820920.db2.gz BUDWZQKWAFQAQH-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCO)c(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823640113 606862826 /nfs/dbraw/zinc/86/28/26/606862826.db2.gz TUFUGXIXLXMJFE-UHFFFAOYSA-N -1 3 399.411 2.060 20 5 GEBDHM O=[N+]([O-])c1ccc(NCCO)c(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823640113 606862827 /nfs/dbraw/zinc/86/28/27/606862827.db2.gz TUFUGXIXLXMJFE-UHFFFAOYSA-N -1 3 399.411 2.060 20 5 GEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823055641 606942118 /nfs/dbraw/zinc/94/21/18/606942118.db2.gz UNHDBJFOMCPAAN-UHFFFAOYSA-N -1 3 399.363 2.166 20 5 GEBDHM O=C(COc1ccccc1[N+](=O)[O-])OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823055641 606942119 /nfs/dbraw/zinc/94/21/19/606942119.db2.gz UNHDBJFOMCPAAN-UHFFFAOYSA-N -1 3 399.363 2.166 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000823664741 607028199 /nfs/dbraw/zinc/02/81/99/607028199.db2.gz DIWXWPZWBGNJAG-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000823664741 607028201 /nfs/dbraw/zinc/02/82/01/607028201.db2.gz DIWXWPZWBGNJAG-UHFFFAOYSA-N -1 3 393.338 2.186 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000822222565 607049783 /nfs/dbraw/zinc/04/97/83/607049783.db2.gz MIDDBZMPQYKFSM-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000822222565 607049784 /nfs/dbraw/zinc/04/97/84/607049784.db2.gz MIDDBZMPQYKFSM-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822969708 607075855 /nfs/dbraw/zinc/07/58/55/607075855.db2.gz YCORKNQIDJNCRO-UHFFFAOYSA-N -1 3 386.343 2.459 20 5 GEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822969708 607075856 /nfs/dbraw/zinc/07/58/56/607075856.db2.gz YCORKNQIDJNCRO-UHFFFAOYSA-N -1 3 386.343 2.459 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000823266501 607187986 /nfs/dbraw/zinc/18/79/86/607187986.db2.gz WFHHUEBJJQHKAD-UHFFFAOYSA-N -1 3 390.363 2.095 20 5 GEBDHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000823266501 607187987 /nfs/dbraw/zinc/18/79/87/607187987.db2.gz WFHHUEBJJQHKAD-UHFFFAOYSA-N -1 3 390.363 2.095 20 5 GEBDHM O=[N+]([O-])c1ccc(CSC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826498127 607816432 /nfs/dbraw/zinc/81/64/32/607816432.db2.gz IGZPONQMUNQZHT-OAHLLOKOSA-N -1 3 387.421 2.448 20 5 GEBDHM Cc1cc(C)cc(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826264194 607876432 /nfs/dbraw/zinc/87/64/32/607876432.db2.gz FTLBWKNIHXCPNU-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM Cc1cc(C)cc(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826264194 607876433 /nfs/dbraw/zinc/87/64/33/607876433.db2.gz FTLBWKNIHXCPNU-CYBMUJFWSA-N -1 3 385.380 2.210 20 5 GEBDHM CCOC(=O)CN(CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825512000 607934269 /nfs/dbraw/zinc/93/42/69/607934269.db2.gz ONFXHHSWIGZKMZ-UHFFFAOYSA-N -1 3 396.407 2.387 20 5 GEBDHM CCOC(=O)CN(CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825512000 607934270 /nfs/dbraw/zinc/93/42/70/607934270.db2.gz ONFXHHSWIGZKMZ-UHFFFAOYSA-N -1 3 396.407 2.387 20 5 GEBDHM Cc1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1F ZINC000826271940 607962698 /nfs/dbraw/zinc/96/26/98/607962698.db2.gz NTYIEWPPDAEIGA-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM Cc1cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1F ZINC000826271940 607962699 /nfs/dbraw/zinc/96/26/99/607962699.db2.gz NTYIEWPPDAEIGA-UHFFFAOYSA-N -1 3 392.372 2.048 20 5 GEBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736292946 608051671 /nfs/dbraw/zinc/05/16/71/608051671.db2.gz RUAVCABUHSTZCU-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736292946 608051672 /nfs/dbraw/zinc/05/16/72/608051672.db2.gz RUAVCABUHSTZCU-LLVKDONJSA-N -1 3 389.416 2.221 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473699 608082187 /nfs/dbraw/zinc/08/21/87/608082187.db2.gz JQTGFONMBYJKHH-GFCCVEGCSA-N -1 3 386.393 2.050 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473699 608082188 /nfs/dbraw/zinc/08/21/88/608082188.db2.gz JQTGFONMBYJKHH-GFCCVEGCSA-N -1 3 386.393 2.050 20 5 GEBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826470312 608089971 /nfs/dbraw/zinc/08/99/71/608089971.db2.gz LSVVJJGLHSIKMK-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826470312 608089972 /nfs/dbraw/zinc/08/99/72/608089972.db2.gz LSVVJJGLHSIKMK-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826466125 608118514 /nfs/dbraw/zinc/11/85/14/608118514.db2.gz POQVHFJAIWIGAQ-UHFFFAOYSA-N -1 3 391.347 2.318 20 5 GEBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826466125 608118515 /nfs/dbraw/zinc/11/85/15/608118515.db2.gz POQVHFJAIWIGAQ-UHFFFAOYSA-N -1 3 391.347 2.318 20 5 GEBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826467416 608118746 /nfs/dbraw/zinc/11/87/46/608118746.db2.gz VLAXTGNGMRGNAC-UHFFFAOYSA-N -1 3 391.347 2.318 20 5 GEBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826467416 608118747 /nfs/dbraw/zinc/11/87/47/608118747.db2.gz VLAXTGNGMRGNAC-UHFFFAOYSA-N -1 3 391.347 2.318 20 5 GEBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826461291 608123011 /nfs/dbraw/zinc/12/30/11/608123011.db2.gz OAVKQJLUVBMIKP-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826461291 608123012 /nfs/dbraw/zinc/12/30/12/608123012.db2.gz OAVKQJLUVBMIKP-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM CC(C)(C)OC(=O)N[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000824109856 608152714 /nfs/dbraw/zinc/15/27/14/608152714.db2.gz XDNXVTLOYFYGOK-CQSZACIVSA-N -1 3 389.416 2.490 20 5 GEBDHM CC(C)(C)OC(=O)N[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000824109856 608152716 /nfs/dbraw/zinc/15/27/16/608152716.db2.gz XDNXVTLOYFYGOK-CQSZACIVSA-N -1 3 389.416 2.490 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826455010 608160529 /nfs/dbraw/zinc/16/05/29/608160529.db2.gz VLOUOMJRLDNVSW-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826455010 608160531 /nfs/dbraw/zinc/16/05/31/608160531.db2.gz VLOUOMJRLDNVSW-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM O=C(CSc1nncs1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826421693 608161841 /nfs/dbraw/zinc/16/18/41/608161841.db2.gz UTVSDHGMKZFOTE-UHFFFAOYSA-N -1 3 398.817 2.011 20 5 GEBDHM O=C(CSc1nncs1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826421693 608161843 /nfs/dbraw/zinc/16/18/43/608161843.db2.gz UTVSDHGMKZFOTE-UHFFFAOYSA-N -1 3 398.817 2.011 20 5 GEBDHM C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824513904 608212981 /nfs/dbraw/zinc/21/29/81/608212981.db2.gz JPFXNXINKFUIOA-MRVPVSSYSA-N -1 3 396.392 2.271 20 5 GEBDHM C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824513904 608212982 /nfs/dbraw/zinc/21/29/82/608212982.db2.gz JPFXNXINKFUIOA-MRVPVSSYSA-N -1 3 396.392 2.271 20 5 GEBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000824731339 608433518 /nfs/dbraw/zinc/43/35/18/608433518.db2.gz UQBCAXLTUVLUFB-NWDGAFQWSA-N -1 3 382.380 2.420 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000826255052 608544218 /nfs/dbraw/zinc/54/42/18/608544218.db2.gz JRCQYLNZOBWZQU-UHFFFAOYSA-N -1 3 381.395 2.341 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000826255052 608544220 /nfs/dbraw/zinc/54/42/20/608544220.db2.gz JRCQYLNZOBWZQU-UHFFFAOYSA-N -1 3 381.395 2.341 20 5 GEBDHM CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC000825817109 609395001 /nfs/dbraw/zinc/39/50/01/609395001.db2.gz AWIORAMUWLEOBR-UHFFFAOYSA-N -1 3 397.351 2.279 20 5 GEBDHM CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1-c1nn[n-]n1 ZINC000825817109 609395004 /nfs/dbraw/zinc/39/50/04/609395004.db2.gz AWIORAMUWLEOBR-UHFFFAOYSA-N -1 3 397.351 2.279 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826408376 609395743 /nfs/dbraw/zinc/39/57/43/609395743.db2.gz CVXIHHVKARUGRY-UHFFFAOYSA-N -1 3 398.335 2.359 20 5 GEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826408376 609395744 /nfs/dbraw/zinc/39/57/44/609395744.db2.gz CVXIHHVKARUGRY-UHFFFAOYSA-N -1 3 398.335 2.359 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453954 609395859 /nfs/dbraw/zinc/39/58/59/609395859.db2.gz FORNRGCQEKZSGW-OAHLLOKOSA-N -1 3 397.326 2.046 20 5 GEBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453954 609395861 /nfs/dbraw/zinc/39/58/61/609395861.db2.gz FORNRGCQEKZSGW-OAHLLOKOSA-N -1 3 397.326 2.046 20 5 GEBDHM O=C1[C@H](Oc2cc(F)ccc2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477859 609428854 /nfs/dbraw/zinc/42/88/54/609428854.db2.gz NMJSLNUTDQMNLB-OAHLLOKOSA-N -1 3 398.354 2.488 20 5 GEBDHM O=C1[C@H](Oc2cc(F)ccc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477859 609428857 /nfs/dbraw/zinc/42/88/57/609428857.db2.gz NMJSLNUTDQMNLB-OAHLLOKOSA-N -1 3 398.354 2.488 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826500544 609493665 /nfs/dbraw/zinc/49/36/65/609493665.db2.gz BPSDYTOPHBYNJM-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826500544 609493666 /nfs/dbraw/zinc/49/36/66/609493666.db2.gz BPSDYTOPHBYNJM-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826500879 609493843 /nfs/dbraw/zinc/49/38/43/609493843.db2.gz PUQXQKJWQCCGDO-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826500879 609493846 /nfs/dbraw/zinc/49/38/46/609493846.db2.gz PUQXQKJWQCCGDO-NSHDSACASA-N -1 3 391.771 2.247 20 5 GEBDHM Cc1nc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826326957 609574843 /nfs/dbraw/zinc/57/48/43/609574843.db2.gz MERZGORPMRGTIK-CQSZACIVSA-N -1 3 394.395 2.086 20 5 GEBDHM Cc1nc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826326957 609574845 /nfs/dbraw/zinc/57/48/45/609574845.db2.gz MERZGORPMRGTIK-CQSZACIVSA-N -1 3 394.395 2.086 20 5 GEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465582 609635878 /nfs/dbraw/zinc/63/58/78/609635878.db2.gz SSYZPFFVNOWOEI-CQSZACIVSA-N -1 3 389.755 2.205 20 5 GEBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465582 609635880 /nfs/dbraw/zinc/63/58/80/609635880.db2.gz SSYZPFFVNOWOEI-CQSZACIVSA-N -1 3 389.755 2.205 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ncccc1F ZINC000446915101 649990186 /nfs/dbraw/zinc/99/01/86/649990186.db2.gz BPCLHHUHLMZTLD-UHFFFAOYSA-N -1 3 375.765 2.140 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccncc2)c(Br)c1 ZINC000447039599 649995548 /nfs/dbraw/zinc/99/55/48/649995548.db2.gz PJCGJWFSGSMFNO-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451866730 650148835 /nfs/dbraw/zinc/14/88/35/650148835.db2.gz BLXKZJMXHYMHGY-GHMZBOCLSA-N -1 3 379.232 2.203 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000467065206 650502303 /nfs/dbraw/zinc/50/23/03/650502303.db2.gz YFZWDDFJUWPZON-UHFFFAOYSA-N -1 3 375.472 2.067 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cccnc1 ZINC000484079793 650684936 /nfs/dbraw/zinc/68/49/36/650684936.db2.gz NINSGPVCYOIRNK-SWLSCSKDSA-N -1 3 383.813 2.452 20 5 GEBDHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000533007045 650755591 /nfs/dbraw/zinc/75/55/91/650755591.db2.gz NXHSEQDDODJEEF-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000534830731 650781272 /nfs/dbraw/zinc/78/12/72/650781272.db2.gz RKRMQRGIIZDPJO-JTQLQIEISA-N -1 3 376.740 2.148 20 5 GEBDHM O=[N+]([O-])c1ccccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127779528 643784482 /nfs/dbraw/zinc/78/44/82/643784482.db2.gz ACOAGRYGJDRQEF-UHFFFAOYSA-N -1 3 375.859 2.378 20 5 GEBDHM Cc1ncc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(=O)[n-]1 ZINC000541456516 650876932 /nfs/dbraw/zinc/87/69/32/650876932.db2.gz WZBCOUYWHHATSM-UHFFFAOYSA-N -1 3 381.186 2.020 20 5 GEBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000416525623 648159886 /nfs/dbraw/zinc/15/98/86/648159886.db2.gz IIHHCORKDUXSDQ-WAAGHKOSSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000416669295 648207621 /nfs/dbraw/zinc/20/76/21/648207621.db2.gz XGWVIKKSDFNOGK-GXSJLCMTSA-N -1 3 382.360 2.443 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1OCCO ZINC000443237272 648868341 /nfs/dbraw/zinc/86/83/41/648868341.db2.gz PWBGLLYUXXVSKY-UHFFFAOYSA-N -1 3 386.813 2.098 20 5 GEBDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443274950 648871002 /nfs/dbraw/zinc/87/10/02/648871002.db2.gz XJDAXGQEHXDLTI-GZMMTYOYSA-N -1 3 381.248 2.043 20 5 GEBDHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443311062 648871807 /nfs/dbraw/zinc/87/18/07/648871807.db2.gz WWYSCMPVBOFUOM-LBPRGKRZSA-N -1 3 381.248 2.043 20 5 GEBDHM COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000443379109 648875148 /nfs/dbraw/zinc/87/51/48/648875148.db2.gz XFXRBJUPJCZACC-UHFFFAOYSA-N -1 3 385.423 2.052 20 5 GEBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000728586743 651547606 /nfs/dbraw/zinc/54/76/06/651547606.db2.gz BINNISKWLYCUHL-UHFFFAOYSA-N -1 3 393.849 2.393 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCC2CCOCC2)c(Cl)c1 ZINC000610135880 651647373 /nfs/dbraw/zinc/64/73/73/651647373.db2.gz UDLZQRTZSNEUGQ-UHFFFAOYSA-N -1 3 392.861 2.360 20 5 GEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000610211780 651649923 /nfs/dbraw/zinc/64/99/23/651649923.db2.gz VJFHGDUZPMMRMH-SNVBAGLBSA-N -1 3 378.834 2.362 20 5 GEBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733321301 651701521 /nfs/dbraw/zinc/70/15/21/651701521.db2.gz CRPUKGAOIBCGRP-SNVBAGLBSA-N -1 3 376.740 2.412 20 5 GEBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC1 ZINC000614832473 651840356 /nfs/dbraw/zinc/84/03/56/651840356.db2.gz NEEMJBKOHIRTEO-JTQLQIEISA-N -1 3 392.275 2.120 20 5 GEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC1(C)OCCO1 ZINC000741158075 651937977 /nfs/dbraw/zinc/93/79/77/651937977.db2.gz BKCALRNUUNNXBV-JTQLQIEISA-N -1 3 378.834 2.316 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCOC2CCC2)c1 ZINC000742337348 651983708 /nfs/dbraw/zinc/98/37/08/651983708.db2.gz WBYVPLGZJTZEMT-UHFFFAOYSA-N -1 3 379.232 2.205 20 5 GEBDHM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746656414 652120087 /nfs/dbraw/zinc/12/00/87/652120087.db2.gz ATIUWWVZCBFTSZ-UHFFFAOYSA-N -1 3 398.750 2.479 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[N-]S(=O)(=O)c1cscn1 ZINC000576819296 652145239 /nfs/dbraw/zinc/14/52/39/652145239.db2.gz IEWORRGXWDHSGS-UHFFFAOYSA-N -1 3 396.372 2.461 20 5 GEBDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751390175 652344479 /nfs/dbraw/zinc/34/44/79/652344479.db2.gz MGCUQBQLGDJOSH-LBPRGKRZSA-N -1 3 381.248 2.187 20 5 GEBDHM CC1(O)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000751484435 652356274 /nfs/dbraw/zinc/35/62/74/652356274.db2.gz TZDMDQUSJPGHQZ-UHFFFAOYSA-N -1 3 393.259 2.329 20 5 GEBDHM COCCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751973126 652373923 /nfs/dbraw/zinc/37/39/23/652373923.db2.gz KMIBAVOSWCNYFJ-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000755183773 652459855 /nfs/dbraw/zinc/45/98/55/652459855.db2.gz SYUMIMHRJFVGTA-VIFPVBQESA-N -1 3 393.849 2.440 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)nc1 ZINC000593573693 652625567 /nfs/dbraw/zinc/62/55/67/652625567.db2.gz SDMVPWSHYNQFSX-GFCCVEGCSA-N -1 3 382.829 2.200 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2ccncc2)c1 ZINC000762629432 652708565 /nfs/dbraw/zinc/70/85/65/652708565.db2.gz PFDWCXVZSZDPDT-UHFFFAOYSA-N -1 3 386.227 2.273 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(O)CCC(F)(F)CC1 ZINC000595374960 652717225 /nfs/dbraw/zinc/71/72/25/652717225.db2.gz IOFVBJATQXLRNF-UHFFFAOYSA-N -1 3 384.788 2.467 20 5 GEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])s1 ZINC000601374837 653089388 /nfs/dbraw/zinc/08/93/88/653089388.db2.gz MBDKIEYJMRIDSF-MFKMUULPSA-N -1 3 378.497 2.298 20 5 GEBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000805142878 653101634 /nfs/dbraw/zinc/10/16/34/653101634.db2.gz ZCCOEAVIRRXWDK-LLVKDONJSA-N -1 3 379.341 2.239 20 5 GEBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)O1 ZINC000601499500 653102091 /nfs/dbraw/zinc/10/20/91/653102091.db2.gz POEPVELKZYFEAW-VHSKPIJISA-N -1 3 379.232 2.202 20 5 GEBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1 ZINC000859176071 653417225 /nfs/dbraw/zinc/41/72/25/653417225.db2.gz QSOQJOFVKMSXAS-UHFFFAOYSA-N -1 3 390.215 2.441 20 5 GEBDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000778088870 653425259 /nfs/dbraw/zinc/42/52/59/653425259.db2.gz YBMDAVHRRMLYTC-LBPRGKRZSA-N -1 3 378.834 2.255 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c1 ZINC000859252219 653429444 /nfs/dbraw/zinc/42/94/44/653429444.db2.gz LEMCEQUJZYPNJS-JTQLQIEISA-N -1 3 393.259 2.452 20 5 GEBDHM CC[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)N(CC)CC ZINC000778596711 653449093 /nfs/dbraw/zinc/44/90/93/653449093.db2.gz XCMODBVBELGPOB-CYBMUJFWSA-N -1 3 391.877 2.482 20 5 GEBDHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000779893878 653615466 /nfs/dbraw/zinc/61/54/66/653615466.db2.gz VCRSVEMMXCVDRV-AWEZNQCLSA-N -1 3 376.818 2.177 20 5 GEBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(CC2CC2)C1 ZINC000815014645 653643608 /nfs/dbraw/zinc/64/36/08/653643608.db2.gz WEDDMWLEWTWEQB-JTQLQIEISA-N -1 3 377.825 2.150 20 5 GEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000862153549 653677080 /nfs/dbraw/zinc/67/70/80/653677080.db2.gz YJTIUSSVGHMPRS-UHFFFAOYSA-N -1 3 375.175 2.360 20 5 GEBDHM COC(CCCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)OC ZINC000845922026 653870416 /nfs/dbraw/zinc/87/04/16/653870416.db2.gz AUSQYWIMBGNORP-UHFFFAOYSA-N -1 3 375.447 2.084 20 5 GEBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)O1 ZINC000867609225 653961426 /nfs/dbraw/zinc/96/14/26/653961426.db2.gz MXPJRNSYAHIBDA-XLDPMVHQSA-N -1 3 379.232 2.202 20 5 GEBDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796138704 653987631 /nfs/dbraw/zinc/98/76/31/653987631.db2.gz CNZXXGRQRHLBCS-VHSXEESVSA-N -1 3 393.259 2.308 20 5 GEBDHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828076255 654020985 /nfs/dbraw/zinc/02/09/85/654020985.db2.gz VBHFLBZPXXZAQD-VHSXEESVSA-N -1 3 395.275 2.433 20 5 GEBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828076251 654021047 /nfs/dbraw/zinc/02/10/47/654021047.db2.gz VBHFLBZPXXZAQD-UWVGGRQHSA-N -1 3 395.275 2.433 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)c1 ZINC000849450112 654038262 /nfs/dbraw/zinc/03/82/62/654038262.db2.gz VQAXCKDZYWMEKG-VIFPVBQESA-N -1 3 391.243 2.347 20 5 GEBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000921856614 654332629 /nfs/dbraw/zinc/33/26/29/654332629.db2.gz NFXGXCHDHQLEBL-MFKMUULPSA-N -1 3 382.360 2.457 20 5 GEBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000855133781 654397941 /nfs/dbraw/zinc/39/79/41/654397941.db2.gz RRMGKZSSHOQZHH-UHFFFAOYSA-N -1 3 393.165 2.500 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(C(F)(F)F)c1 ZINC000907767340 654576351 /nfs/dbraw/zinc/57/63/51/654576351.db2.gz NVWPCQIEKVPGJJ-FUTFKJLYSA-N -1 3 378.328 2.068 20 5 GEBDHM COc1ccc(S(=O)(=O)N(C)C)cc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000014697413 531565424 /nfs/dbraw/zinc/56/54/24/531565424.db2.gz KWQMNDJZBKWEKV-UHFFFAOYSA-N -1 3 385.423 2.168 20 5 GEBDHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044771517 531686148 /nfs/dbraw/zinc/68/61/48/531686148.db2.gz UVOVHPAVKDPUAD-UHFFFAOYSA-N -1 3 389.861 2.319 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000120960700 532003356 /nfs/dbraw/zinc/00/33/56/532003356.db2.gz SMVVKOXDGZENCB-DTWKUNHWSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000120961147 532003909 /nfs/dbraw/zinc/00/39/09/532003909.db2.gz SMVVKOXDGZENCB-BDAKNGLRSA-N -1 3 379.232 2.061 20 5 GEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([S@@](C)=O)cc2)c1C ZINC000121331445 532024019 /nfs/dbraw/zinc/02/40/19/532024019.db2.gz XXJZCRBZNGMAMI-DEOSSOPVSA-N -1 3 382.463 2.428 20 5 GEBDHM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C2 ZINC000121336074 532023426 /nfs/dbraw/zinc/02/34/26/532023426.db2.gz SNIBSYMEVJQGJE-NSHDSACASA-N -1 3 384.845 2.355 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000123530555 532101711 /nfs/dbraw/zinc/10/17/11/532101711.db2.gz RIEBNWOXVOXSBA-ZJUUUORDSA-N -1 3 375.472 2.033 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000123534732 532101846 /nfs/dbraw/zinc/10/18/46/532101846.db2.gz UKCOVIGBNXAURJ-SECBINFHSA-N -1 3 387.405 2.127 20 5 GEBDHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000123701391 532106469 /nfs/dbraw/zinc/10/64/69/532106469.db2.gz SQIFBMOHXNZQJF-UHFFFAOYSA-N -1 3 383.451 2.444 20 5 GEBDHM CN(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000124715059 532127230 /nfs/dbraw/zinc/12/72/30/532127230.db2.gz MSCWRRJTSYBZJB-UHFFFAOYSA-N -1 3 389.783 2.411 20 5 GEBDHM CC(C)c1ncc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000132746302 532220512 /nfs/dbraw/zinc/22/05/12/532220512.db2.gz KNPQVTRAIGIBEM-UHFFFAOYSA-N -1 3 384.483 2.243 20 5 GEBDHM Cc1nc(C)c([C@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180940898 532286423 /nfs/dbraw/zinc/28/64/23/532286423.db2.gz PAVSTMJLXYEORR-JTQLQIEISA-N -1 3 384.483 2.297 20 5 GEBDHM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000188382740 532347894 /nfs/dbraw/zinc/34/78/94/532347894.db2.gz IBOAHSVKKOKMRF-CYBMUJFWSA-N -1 3 384.841 2.439 20 5 GEBDHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000425202314 532372799 /nfs/dbraw/zinc/37/27/99/532372799.db2.gz KPGUPSCRPSWXCI-VIFPVBQESA-N -1 3 385.423 2.186 20 5 GEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000589922795 532364770 /nfs/dbraw/zinc/36/47/70/532364770.db2.gz OHTCMJCOMAYTTR-ZWNOBZJWSA-N -1 3 382.360 2.336 20 5 GEBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464213482 532393549 /nfs/dbraw/zinc/39/35/49/532393549.db2.gz GZGFXKIDRRQGSU-QMMMGPOBSA-N -1 3 379.423 2.342 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCSC2)ccc1Br ZINC000279731588 532399806 /nfs/dbraw/zinc/39/98/06/532399806.db2.gz JOZCLEXNHLJHRD-QMMMGPOBSA-N -1 3 381.273 2.389 20 5 GEBDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)CCCF)c1ccccc1[N+](=O)[O-] ZINC000427447604 532424985 /nfs/dbraw/zinc/42/49/85/532424985.db2.gz YUHPMYSAIWTFCC-ZDUSSCGKSA-N -1 3 376.406 2.257 20 5 GEBDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000466523571 532429808 /nfs/dbraw/zinc/42/98/08/532429808.db2.gz YYIBOKSMPJQJDS-UHFFFAOYSA-N -1 3 388.785 2.415 20 5 GEBDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467067416 532437935 /nfs/dbraw/zinc/43/79/35/532437935.db2.gz BNADOLVHISPQNI-HZMBPMFUSA-N -1 3 376.456 2.365 20 5 GEBDHM COc1ccc([C@@H](CCO)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467079739 532438180 /nfs/dbraw/zinc/43/81/80/532438180.db2.gz ADXWCAPRINRBLJ-CYBMUJFWSA-N -1 3 386.451 2.375 20 5 GEBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000592079710 532439313 /nfs/dbraw/zinc/43/93/13/532439313.db2.gz DVNBJAYMRMRNHX-MRVPVSSYSA-N -1 3 384.332 2.091 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000467408670 532447047 /nfs/dbraw/zinc/44/70/47/532447047.db2.gz XYJOARKRDPKCEM-UHFFFAOYSA-N -1 3 383.451 2.145 20 5 GEBDHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000295535756 532455661 /nfs/dbraw/zinc/45/56/61/532455661.db2.gz QTRVEZDDRBOANQ-QMMMGPOBSA-N -1 3 381.248 2.185 20 5 GEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000469150000 532492694 /nfs/dbraw/zinc/49/26/94/532492694.db2.gz VSHJUHJPIQHDLK-UHFFFAOYSA-N -1 3 378.353 2.238 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000594860289 532536807 /nfs/dbraw/zinc/53/68/07/532536807.db2.gz MCVUFOUQOMLWCV-STQMWFEESA-N -1 3 384.483 2.388 20 5 GEBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC000594796152 532529940 /nfs/dbraw/zinc/52/99/40/532529940.db2.gz PGWPCYOVOCACGS-SECBINFHSA-N -1 3 379.232 2.203 20 5 GEBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595354861 532559146 /nfs/dbraw/zinc/55/91/46/532559146.db2.gz NHEAFWZXKNEAKR-NSHDSACASA-N -1 3 392.275 2.120 20 5 GEBDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000247981408 532549225 /nfs/dbraw/zinc/54/92/25/532549225.db2.gz XSQVTNFGBDABSM-UHFFFAOYSA-N -1 3 389.842 2.148 20 5 GEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000472327315 532572202 /nfs/dbraw/zinc/57/22/02/532572202.db2.gz NCYRCTLZOHOGOR-UHFFFAOYSA-N -1 3 387.801 2.009 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000472338992 532572823 /nfs/dbraw/zinc/57/28/23/532572823.db2.gz MTEXIEFDOZNGPH-UHFFFAOYSA-N -1 3 387.801 2.009 20 5 GEBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCOC(F)(F)F)c1 ZINC000474390649 532617733 /nfs/dbraw/zinc/61/77/33/532617733.db2.gz HLKMHXVGWOTOPH-UHFFFAOYSA-N -1 3 393.137 2.172 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000376153226 532598284 /nfs/dbraw/zinc/59/82/84/532598284.db2.gz YAFHPQJGSJQDTQ-XHDPSFHLSA-N -1 3 390.845 2.173 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000266151985 532704837 /nfs/dbraw/zinc/70/48/37/532704837.db2.gz FVWUDXNMQPAKHC-RKDXNWHRSA-N -1 3 379.232 2.061 20 5 GEBDHM Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1[N+](=O)[O-] ZINC000440673426 532720787 /nfs/dbraw/zinc/72/07/87/532720787.db2.gz JMXWXYPITPNQSB-UHFFFAOYSA-N -1 3 388.808 2.481 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)cc1[N+](=O)[O-] ZINC000443226607 532742746 /nfs/dbraw/zinc/74/27/46/532742746.db2.gz QGLSICMNZHPLGK-UHFFFAOYSA-N -1 3 393.393 2.482 20 5 GEBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443289919 532744135 /nfs/dbraw/zinc/74/41/35/532744135.db2.gz ALVFYKMECRYVED-RNCFNFMXSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000446950075 532756056 /nfs/dbraw/zinc/75/60/56/532756056.db2.gz YTAGVRVYPVXWJM-LBPRGKRZSA-N -1 3 378.332 2.219 20 5 GEBDHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000549556762 532794681 /nfs/dbraw/zinc/79/46/81/532794681.db2.gz PGKGIWVHBBGNLB-TVQRCGJNSA-N -1 3 393.259 2.187 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2noc(COC(C)C)n2)cc1[N+](=O)[O-] ZINC000554964149 532807071 /nfs/dbraw/zinc/80/70/71/532807071.db2.gz LNWKBXPVULZOCZ-MRVPVSSYSA-N -1 3 390.443 2.312 20 5 GEBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000272105882 532812983 /nfs/dbraw/zinc/81/29/83/532812983.db2.gz MMJMWORSHNNCKU-SECBINFHSA-N -1 3 395.275 2.433 20 5 GEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nnc3n2CCC3)c1 ZINC000272402309 532815221 /nfs/dbraw/zinc/81/52/21/532815221.db2.gz BDLUEPXJVGPNRI-VIFPVBQESA-N -1 3 385.833 2.134 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)c(Br)c1 ZINC000330482604 532819151 /nfs/dbraw/zinc/81/91/51/532819151.db2.gz UDPQUPZVIRNCII-BXKDBHETSA-N -1 3 393.259 2.187 20 5 GEBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000330637091 532823291 /nfs/dbraw/zinc/82/32/91/532823291.db2.gz NXYPXINQVIPTFA-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273601813 532827415 /nfs/dbraw/zinc/82/74/15/532827415.db2.gz RTDGTPXDZYSRMX-CHWSQXEVSA-N -1 3 388.467 2.334 20 5 GEBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331197338 532835570 /nfs/dbraw/zinc/83/55/70/532835570.db2.gz YVCXOEZAKPPGAD-NSHDSACASA-N -1 3 392.275 2.120 20 5 GEBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332591475 532857354 /nfs/dbraw/zinc/85/73/54/532857354.db2.gz KQSACNOCFLUIMK-WDEREUQCSA-N -1 3 388.467 2.319 20 5 GEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCn1ccnc1 ZINC000416363443 532871559 /nfs/dbraw/zinc/87/15/59/532871559.db2.gz OSIOCNBZWVLBRP-UHFFFAOYSA-N -1 3 378.332 2.179 20 5 GEBDHM CCN(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416392486 532875159 /nfs/dbraw/zinc/87/51/59/532875159.db2.gz UZIIMBKTIQXVHG-UHFFFAOYSA-N -1 3 381.376 2.376 20 5 GEBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000736036670 598884542 /nfs/dbraw/zinc/88/45/42/598884542.db2.gz GBAPNDAMAKLMLV-GFCCVEGCSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000736036670 598884544 /nfs/dbraw/zinc/88/45/44/598884544.db2.gz GBAPNDAMAKLMLV-GFCCVEGCSA-N -1 3 383.364 2.328 20 5 GEBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000736037353 598889026 /nfs/dbraw/zinc/88/90/26/598889026.db2.gz KMJVOFAKZQLIOM-LBPRGKRZSA-N -1 3 399.363 2.164 20 5 GEBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000736037353 598889029 /nfs/dbraw/zinc/88/90/29/598889029.db2.gz KMJVOFAKZQLIOM-LBPRGKRZSA-N -1 3 399.363 2.164 20 5 GEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3cc(-c4nnn[n-]4)ccc3F)cc2N1 ZINC000823535971 599074069 /nfs/dbraw/zinc/07/40/69/599074069.db2.gz NPUSFZPJRLRRNY-UHFFFAOYSA-N -1 3 383.343 2.411 20 5 GEBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3cc(-c4nn[n-]n4)ccc3F)cc2N1 ZINC000823535971 599074071 /nfs/dbraw/zinc/07/40/71/599074071.db2.gz NPUSFZPJRLRRNY-UHFFFAOYSA-N -1 3 383.343 2.411 20 5 GEBDHM Cc1cnc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000822395180 599105152 /nfs/dbraw/zinc/10/51/52/599105152.db2.gz VBYOVAYEDOFCLY-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM Cc1cnc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000822395180 599105154 /nfs/dbraw/zinc/10/51/54/599105154.db2.gz VBYOVAYEDOFCLY-UHFFFAOYSA-N -1 3 380.412 2.195 20 5 GEBDHM COc1cc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)ccc1[N+](=O)[O-] ZINC000821728718 607267726 /nfs/dbraw/zinc/26/77/26/607267726.db2.gz YROOPHLNPLEISX-UHFFFAOYSA-N -1 3 384.352 2.109 20 5 GEBDHM COc1cc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-] ZINC000821728718 607267727 /nfs/dbraw/zinc/26/77/27/607267727.db2.gz YROOPHLNPLEISX-UHFFFAOYSA-N -1 3 384.352 2.109 20 5 GEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736821396 599251502 /nfs/dbraw/zinc/25/15/02/599251502.db2.gz FHHQBUBCHSNLBB-UHFFFAOYSA-N -1 3 391.395 2.123 20 5 GEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736821396 599251505 /nfs/dbraw/zinc/25/15/05/599251505.db2.gz FHHQBUBCHSNLBB-UHFFFAOYSA-N -1 3 391.395 2.123 20 5 GEBDHM CCNc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000736583204 598305875 /nfs/dbraw/zinc/30/58/75/598305875.db2.gz RUSPOLCWXYBAJQ-UHFFFAOYSA-N -1 3 385.359 2.276 20 5 GEBDHM CCNc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000736583204 598305877 /nfs/dbraw/zinc/30/58/77/598305877.db2.gz RUSPOLCWXYBAJQ-UHFFFAOYSA-N -1 3 385.359 2.276 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737115709 598322091 /nfs/dbraw/zinc/32/20/91/598322091.db2.gz NVEPDEWNPWJJHO-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737115709 598322093 /nfs/dbraw/zinc/32/20/93/598322093.db2.gz NVEPDEWNPWJJHO-UHFFFAOYSA-N -1 3 387.331 2.244 20 5 GEBDHM O=[N+]([O-])c1cccc(-c2ncn(CCOc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738366652 598378420 /nfs/dbraw/zinc/37/84/20/598378420.db2.gz GUASKNZBZXOVOL-UHFFFAOYSA-N -1 3 378.352 2.112 20 5 GEBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000735662105 598488436 /nfs/dbraw/zinc/48/84/36/598488436.db2.gz QCDUMGSXINUOAA-UHFFFAOYSA-N -1 3 399.367 2.312 20 5 GEBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000735662105 598488439 /nfs/dbraw/zinc/48/84/39/598488439.db2.gz QCDUMGSXINUOAA-UHFFFAOYSA-N -1 3 399.367 2.312 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCNc2ccc3ccccc3n2)c(-c2nnn[n-]2)c1 ZINC000738375319 598499793 /nfs/dbraw/zinc/49/97/93/598499793.db2.gz YRRDTVLUUYMDGM-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM O=[N+]([O-])c1cnc(NCCNc2ccc3ccccc3n2)c(-c2nn[n-]n2)c1 ZINC000738375319 598499795 /nfs/dbraw/zinc/49/97/95/598499795.db2.gz YRRDTVLUUYMDGM-UHFFFAOYSA-N -1 3 377.368 2.242 20 5 GEBDHM Cc1nc(COc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)no1 ZINC000737478086 598504071 /nfs/dbraw/zinc/50/40/71/598504071.db2.gz QSIXDZNPHGSCCQ-UHFFFAOYSA-N -1 3 395.339 2.184 20 5 GEBDHM Cc1nc(COc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)no1 ZINC000737478086 598504075 /nfs/dbraw/zinc/50/40/75/598504075.db2.gz QSIXDZNPHGSCCQ-UHFFFAOYSA-N -1 3 395.339 2.184 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC000738196252 598587392 /nfs/dbraw/zinc/58/73/92/598587392.db2.gz UYCTZPWHANWQFV-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC000738196252 598587394 /nfs/dbraw/zinc/58/73/94/598587394.db2.gz UYCTZPWHANWQFV-UHFFFAOYSA-N -1 3 382.365 2.274 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738196203 598806513 /nfs/dbraw/zinc/80/65/13/598806513.db2.gz SVAHEYBFIJPLFS-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738196203 598806515 /nfs/dbraw/zinc/80/65/15/598806515.db2.gz SVAHEYBFIJPLFS-UHFFFAOYSA-N -1 3 376.336 2.213 20 5 GEBDHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738196391 598808392 /nfs/dbraw/zinc/80/83/92/598808392.db2.gz XHJOMBVHWCIRMG-UHFFFAOYSA-N -1 3 394.326 2.352 20 5 GEBDHM COc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821716917 599299885 /nfs/dbraw/zinc/29/98/85/599299885.db2.gz HBHBJHVCTXSEIO-UHFFFAOYSA-N -1 3 393.310 2.392 20 5 GEBDHM COc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821716917 599299888 /nfs/dbraw/zinc/29/98/88/599299888.db2.gz HBHBJHVCTXSEIO-UHFFFAOYSA-N -1 3 393.310 2.392 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1nnnn1Cc1cccs1 ZINC000823635207 599321604 /nfs/dbraw/zinc/32/16/04/599321604.db2.gz TWMQICXOGJUKFN-UHFFFAOYSA-N -1 3 387.410 2.022 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1nnnn1Cc1cccs1 ZINC000823635207 599321605 /nfs/dbraw/zinc/32/16/05/599321605.db2.gz TWMQICXOGJUKFN-UHFFFAOYSA-N -1 3 387.410 2.022 20 5 GEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822332783 599323820 /nfs/dbraw/zinc/32/38/20/599323820.db2.gz STHCRKGGRQSDKI-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000826268021 607378221 /nfs/dbraw/zinc/37/82/21/607378221.db2.gz HAJYPYNQPHOFMH-UHFFFAOYSA-N -1 3 385.311 2.262 20 5 GEBDHM Cc1cc(F)cc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000826268021 607378223 /nfs/dbraw/zinc/37/82/23/607378223.db2.gz HAJYPYNQPHOFMH-UHFFFAOYSA-N -1 3 385.311 2.262 20 5 GEBDHM COc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821786714 599539654 /nfs/dbraw/zinc/53/96/54/599539654.db2.gz IHDUALPZLGAYBL-LLVKDONJSA-N -1 3 382.380 2.203 20 5 GEBDHM COc1ccc(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821786714 599539655 /nfs/dbraw/zinc/53/96/55/599539655.db2.gz IHDUALPZLGAYBL-LLVKDONJSA-N -1 3 382.380 2.203 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000826250982 607383080 /nfs/dbraw/zinc/38/30/80/607383080.db2.gz BMBGBRHTZXZQRO-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000826250982 607383081 /nfs/dbraw/zinc/38/30/81/607383081.db2.gz BMBGBRHTZXZQRO-LLVKDONJSA-N -1 3 396.363 2.267 20 5 GEBDHM CC(C)(C)[S@](=O)CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819951871 599561353 /nfs/dbraw/zinc/56/13/53/599561353.db2.gz YWSGGMVRCQNXBI-HHHXNRCGSA-N -1 3 389.441 2.282 20 5 GEBDHM CC(C)(C)[S@](=O)CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819951871 599561357 /nfs/dbraw/zinc/56/13/57/599561357.db2.gz YWSGGMVRCQNXBI-HHHXNRCGSA-N -1 3 389.441 2.282 20 5 GEBDHM Cc1c(CC(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236587 607390594 /nfs/dbraw/zinc/39/05/94/607390594.db2.gz SOOUQWFFCYIRKY-UHFFFAOYSA-N -1 3 383.364 2.248 20 5 GEBDHM COc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])cc1OC ZINC000826177517 607406280 /nfs/dbraw/zinc/40/62/80/607406280.db2.gz LMTPKOTVZWNRQK-UHFFFAOYSA-N -1 3 399.363 2.458 20 5 GEBDHM COc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])cc1OC ZINC000826177517 607406282 /nfs/dbraw/zinc/40/62/82/607406282.db2.gz LMTPKOTVZWNRQK-UHFFFAOYSA-N -1 3 399.363 2.458 20 5 GEBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000821745364 607411244 /nfs/dbraw/zinc/41/12/44/607411244.db2.gz RZDKYJMIJNWQFU-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000821745364 607411245 /nfs/dbraw/zinc/41/12/45/607411245.db2.gz RZDKYJMIJNWQFU-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000826253304 607445407 /nfs/dbraw/zinc/44/54/07/607445407.db2.gz LLJLJHDNFPKDDQ-UHFFFAOYSA-N -1 3 382.380 2.263 20 5 GEBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000826253304 607445409 /nfs/dbraw/zinc/44/54/09/607445409.db2.gz LLJLJHDNFPKDDQ-UHFFFAOYSA-N -1 3 382.380 2.263 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826499105 607450997 /nfs/dbraw/zinc/45/09/97/607450997.db2.gz VYTNWXHZSWECKP-QGZVFWFLSA-N -1 3 395.423 2.260 20 5 GEBDHM O=[N+]([O-])c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826499105 607450998 /nfs/dbraw/zinc/45/09/98/607450998.db2.gz VYTNWXHZSWECKP-QGZVFWFLSA-N -1 3 395.423 2.260 20 5 GEBDHM COc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1-c1nnn[n-]1 ZINC000826195164 607484964 /nfs/dbraw/zinc/48/49/64/607484964.db2.gz KCOCBHUWAZPYPX-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM COc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1-c1nn[n-]n1 ZINC000826195164 607484966 /nfs/dbraw/zinc/48/49/66/607484966.db2.gz KCOCBHUWAZPYPX-UHFFFAOYSA-N -1 3 395.423 2.106 20 5 GEBDHM O=C(Cc1ccccc1[N+](=O)[O-])N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833119006 601732899 /nfs/dbraw/zinc/73/28/99/601732899.db2.gz SQWLWPCVWGCGFE-NRFANRHFSA-N -1 3 397.431 2.373 20 5 GEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833118671 601734801 /nfs/dbraw/zinc/73/48/01/601734801.db2.gz OMXKAOJZVXUXIN-NRFANRHFSA-N -1 3 397.431 2.373 20 5 GEBDHM Nc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000833090306 601778246 /nfs/dbraw/zinc/77/82/46/601778246.db2.gz HTBBJLMTVHJHPH-HXUWFJFHSA-N -1 3 398.419 2.026 20 5 GEBDHM COc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826201207 607609126 /nfs/dbraw/zinc/60/91/26/607609126.db2.gz FFEFHIUBPPAHNO-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826201207 607609128 /nfs/dbraw/zinc/60/91/28/607609128.db2.gz FFEFHIUBPPAHNO-UHFFFAOYSA-N -1 3 388.771 2.367 20 5 GEBDHM COc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826200535 607617397 /nfs/dbraw/zinc/61/73/97/607617397.db2.gz VIHNHMIYUYXPAH-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM COc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000826200535 607617398 /nfs/dbraw/zinc/61/73/98/607617398.db2.gz VIHNHMIYUYXPAH-UHFFFAOYSA-N -1 3 383.368 2.414 20 5 GEBDHM C[C@H](c1ccncc1)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824779979 607679675 /nfs/dbraw/zinc/67/96/75/607679675.db2.gz YYVMRQIOONKHPV-GFCCVEGCSA-N -1 3 395.427 2.202 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825203963 607735892 /nfs/dbraw/zinc/73/58/92/607735892.db2.gz ONPSWGPQBSXBJV-RISCZKNCSA-N -1 3 385.428 2.224 20 5 GEBDHM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825203963 607735893 /nfs/dbraw/zinc/73/58/93/607735893.db2.gz ONPSWGPQBSXBJV-RISCZKNCSA-N -1 3 385.428 2.224 20 5 GEBDHM Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)nc(C)n1 ZINC000822207475 606102334 /nfs/dbraw/zinc/10/23/34/606102334.db2.gz XTZUFSKZBRHDPH-UHFFFAOYSA-N -1 3 395.427 2.263 20 5 GEBDHM Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)nc(C)n1 ZINC000822207475 606102336 /nfs/dbraw/zinc/10/23/36/606102336.db2.gz XTZUFSKZBRHDPH-UHFFFAOYSA-N -1 3 395.427 2.263 20 5 GEBDHM CCOC(=O)c1sc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nc1C ZINC000821346458 606102968 /nfs/dbraw/zinc/10/29/68/606102968.db2.gz JQYHVAQNHHFQFL-UHFFFAOYSA-N -1 3 389.397 2.329 20 5 GEBDHM CCOC(=O)c1sc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nc1C ZINC000821346458 606102970 /nfs/dbraw/zinc/10/29/70/606102970.db2.gz JQYHVAQNHHFQFL-UHFFFAOYSA-N -1 3 389.397 2.329 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(c2cc(F)ccc2F)CC1 ZINC000823630107 606108855 /nfs/dbraw/zinc/10/88/55/606108855.db2.gz RVZRAJGNSOSVBX-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(c2cc(F)ccc2F)CC1 ZINC000823630107 606108858 /nfs/dbraw/zinc/10/88/58/606108858.db2.gz RVZRAJGNSOSVBX-UHFFFAOYSA-N -1 3 387.350 2.380 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1nnc(-c2ccccc2)o1 ZINC000823629625 606175113 /nfs/dbraw/zinc/17/51/13/606175113.db2.gz CHILPELRYXUYDZ-UHFFFAOYSA-N -1 3 378.352 2.480 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1nnc(-c2ccccc2)o1 ZINC000823629625 606175114 /nfs/dbraw/zinc/17/51/14/606175114.db2.gz CHILPELRYXUYDZ-UHFFFAOYSA-N -1 3 378.352 2.480 20 5 GEBDHM O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823144593 606223784 /nfs/dbraw/zinc/22/37/84/606223784.db2.gz JOTDLINJEGSIPA-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823144593 606223785 /nfs/dbraw/zinc/22/37/85/606223785.db2.gz JOTDLINJEGSIPA-UHFFFAOYSA-N -1 3 397.370 2.418 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648797 606366122 /nfs/dbraw/zinc/36/61/22/606366122.db2.gz SXWOXKZTYXICOZ-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648797 606366123 /nfs/dbraw/zinc/36/61/23/606366123.db2.gz SXWOXKZTYXICOZ-HNNXBMFYSA-N -1 3 397.347 2.154 20 5 GEBDHM Cc1ccc([C@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228852 606581820 /nfs/dbraw/zinc/58/18/20/606581820.db2.gz HAYQJJJGUBXONC-LBPRGKRZSA-N -1 3 381.396 2.373 20 5 GEBDHM CC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820914313 606588768 /nfs/dbraw/zinc/58/87/68/606588768.db2.gz OIBYAMBIIHEEKU-OAHLLOKOSA-N -1 3 382.380 2.421 20 5 GEBDHM CC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820914313 606588769 /nfs/dbraw/zinc/58/87/69/606588769.db2.gz OIBYAMBIIHEEKU-OAHLLOKOSA-N -1 3 382.380 2.421 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)cc1F ZINC000822212665 606611372 /nfs/dbraw/zinc/61/13/72/606611372.db2.gz BCHVKETTWROWPJ-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)cc1F ZINC000822212665 606611375 /nfs/dbraw/zinc/61/13/75/606611375.db2.gz BCHVKETTWROWPJ-UHFFFAOYSA-N -1 3 397.319 2.129 20 5 GEBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823044334 606623031 /nfs/dbraw/zinc/62/30/31/606623031.db2.gz SEPSHZWFJGTHBR-UHFFFAOYSA-N -1 3 391.347 2.341 20 5 GEBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823044334 606623034 /nfs/dbraw/zinc/62/30/34/606623034.db2.gz SEPSHZWFJGTHBR-UHFFFAOYSA-N -1 3 391.347 2.341 20 5 GEBDHM COc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821897669 606644278 /nfs/dbraw/zinc/64/42/78/606644278.db2.gz JQDSRSARLXEQFU-UHFFFAOYSA-N -1 3 381.396 2.110 20 5 GEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000820456948 606644708 /nfs/dbraw/zinc/64/47/08/606644708.db2.gz XQSNPWSAZDMXPJ-SNVBAGLBSA-N -1 3 388.409 2.352 20 5 GEBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000823009810 606813108 /nfs/dbraw/zinc/81/31/08/606813108.db2.gz VOUIPXWTMFMPKH-UHFFFAOYSA-N -1 3 387.787 2.157 20 5 GEBDHM O=c1c2cc3ccccc3cc2ncn1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823664722 606851258 /nfs/dbraw/zinc/85/12/58/606851258.db2.gz CZEJNRGYGJRAFJ-IBGZPJMESA-N -1 3 384.399 2.463 20 5 GEBDHM O=c1c2cc3ccccc3cc2ncn1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823664722 606851259 /nfs/dbraw/zinc/85/12/59/606851259.db2.gz CZEJNRGYGJRAFJ-IBGZPJMESA-N -1 3 384.399 2.463 20 5 GEBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1csc([N+](=O)[O-])c1 ZINC000823405003 606947671 /nfs/dbraw/zinc/94/76/71/606947671.db2.gz GJPSSJPKVQNELA-UHFFFAOYSA-N -1 3 375.366 2.462 20 5 GEBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1csc([N+](=O)[O-])c1 ZINC000823405003 606947672 /nfs/dbraw/zinc/94/76/72/606947672.db2.gz GJPSSJPKVQNELA-UHFFFAOYSA-N -1 3 375.366 2.462 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821589310 606993479 /nfs/dbraw/zinc/99/34/79/606993479.db2.gz IBUHZVMNVOVKKL-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821589310 606993480 /nfs/dbraw/zinc/99/34/80/606993480.db2.gz IBUHZVMNVOVKKL-UHFFFAOYSA-N -1 3 386.343 2.337 20 5 GEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000821304248 607100786 /nfs/dbraw/zinc/10/07/86/607100786.db2.gz CGHLKHHQVGNJPR-UHFFFAOYSA-N -1 3 383.368 2.224 20 5 GEBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000821305119 607101007 /nfs/dbraw/zinc/10/10/07/607101007.db2.gz XSIUXLLCYSTODR-UHFFFAOYSA-N -1 3 383.368 2.224 20 5 GEBDHM Cc1nc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822449458 607239991 /nfs/dbraw/zinc/23/99/91/607239991.db2.gz ALWDWYXYLXBMDY-UHFFFAOYSA-N -1 3 383.368 2.274 20 5 GEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1OC ZINC000825616009 607790461 /nfs/dbraw/zinc/79/04/61/607790461.db2.gz SQYHUIGLUXGUBS-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1OC ZINC000825616009 607790462 /nfs/dbraw/zinc/79/04/62/607790462.db2.gz SQYHUIGLUXGUBS-UHFFFAOYSA-N -1 3 398.379 2.459 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cc(I)c1OCCCF ZINC000826497876 607863396 /nfs/dbraw/zinc/86/33/96/607863396.db2.gz XJVHOGVRWLPAAY-UHFFFAOYSA-N -1 3 393.116 2.118 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cc(I)c1OCCCF ZINC000826497876 607863397 /nfs/dbraw/zinc/86/33/97/607863397.db2.gz XJVHOGVRWLPAAY-UHFFFAOYSA-N -1 3 393.116 2.118 20 5 GEBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000826280215 607866859 /nfs/dbraw/zinc/86/68/59/607866859.db2.gz RXESMLZQDWMKEH-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000826280215 607866860 /nfs/dbraw/zinc/86/68/60/607866860.db2.gz RXESMLZQDWMKEH-UHFFFAOYSA-N -1 3 375.366 2.159 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000826497810 607906589 /nfs/dbraw/zinc/90/65/89/607906589.db2.gz VPCIADVPMFLBQH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000826497810 607906590 /nfs/dbraw/zinc/90/65/90/607906590.db2.gz VPCIADVPMFLBQH-UHFFFAOYSA-N -1 3 399.747 2.335 20 5 GEBDHM O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1sccc1-c1nnn[n-]1 ZINC000826407300 607943066 /nfs/dbraw/zinc/94/30/66/607943066.db2.gz HWAQXJFOCQQDMJ-UHFFFAOYSA-N -1 3 399.436 2.223 20 5 GEBDHM O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1sccc1-c1nn[n-]n1 ZINC000826407300 607943067 /nfs/dbraw/zinc/94/30/67/607943067.db2.gz HWAQXJFOCQQDMJ-UHFFFAOYSA-N -1 3 399.436 2.223 20 5 GEBDHM CCOc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000825631604 607951591 /nfs/dbraw/zinc/95/15/91/607951591.db2.gz DKGXDSCYFXQGOE-UHFFFAOYSA-N -1 3 380.364 2.377 20 5 GEBDHM CCOc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000825631604 607951592 /nfs/dbraw/zinc/95/15/92/607951592.db2.gz DKGXDSCYFXQGOE-UHFFFAOYSA-N -1 3 380.364 2.377 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824746540 607956703 /nfs/dbraw/zinc/95/67/03/607956703.db2.gz VVULLTWRUNMHEL-GFCCVEGCSA-N -1 3 394.391 2.127 20 5 GEBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000824746540 607956704 /nfs/dbraw/zinc/95/67/04/607956704.db2.gz VVULLTWRUNMHEL-GFCCVEGCSA-N -1 3 394.391 2.127 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826497351 607970000 /nfs/dbraw/zinc/97/00/00/607970000.db2.gz DOECFKLWDQKVCZ-IAQYHMDHSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826497351 607970001 /nfs/dbraw/zinc/97/00/01/607970001.db2.gz DOECFKLWDQKVCZ-IAQYHMDHSA-N -1 3 388.334 2.365 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826499610 608071196 /nfs/dbraw/zinc/07/11/96/608071196.db2.gz PLSJVNYZZJFMJQ-QGZVFWFLSA-N -1 3 384.371 2.488 20 5 GEBDHM O=[N+]([O-])c1cccc(F)c1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826499610 608071197 /nfs/dbraw/zinc/07/11/97/608071197.db2.gz PLSJVNYZZJFMJQ-QGZVFWFLSA-N -1 3 384.371 2.488 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473689 608085200 /nfs/dbraw/zinc/08/52/00/608085200.db2.gz JFJDRHWGFWHOLE-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473689 608085201 /nfs/dbraw/zinc/08/52/01/608085201.db2.gz JFJDRHWGFWHOLE-MRXNPFEDSA-N -1 3 398.354 2.128 20 5 GEBDHM CC(C)(C)OC(=O)N1CC(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824103639 608097585 /nfs/dbraw/zinc/09/75/85/608097585.db2.gz FGFNVJMHTXKWTH-UHFFFAOYSA-N -1 3 375.389 2.054 20 5 GEBDHM CC(C)(C)OC(=O)N1CC(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824103639 608097586 /nfs/dbraw/zinc/09/75/86/608097586.db2.gz FGFNVJMHTXKWTH-UHFFFAOYSA-N -1 3 375.389 2.054 20 5 GEBDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826438884 608106658 /nfs/dbraw/zinc/10/66/58/608106658.db2.gz UPSBKHXLHMMQHU-UHFFFAOYSA-N -1 3 393.363 2.065 20 5 GEBDHM COc1ccccc1OC[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826220778 608124188 /nfs/dbraw/zinc/12/41/88/608124188.db2.gz ZPYVFVPNZAAEHJ-NSHDSACASA-N -1 3 385.384 2.306 20 5 GEBDHM COc1ccccc1OC[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826220778 608124189 /nfs/dbraw/zinc/12/41/89/608124189.db2.gz ZPYVFVPNZAAEHJ-NSHDSACASA-N -1 3 385.384 2.306 20 5 GEBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000826161769 608138963 /nfs/dbraw/zinc/13/89/63/608138963.db2.gz YXOHXPFPPPEYJI-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000826161769 608138964 /nfs/dbraw/zinc/13/89/64/608138964.db2.gz YXOHXPFPPPEYJI-UHFFFAOYSA-N -1 3 384.352 2.052 20 5 GEBDHM CCn1c(NC(=O)c2ccc([N+](=O)[O-])s2)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825793567 608177949 /nfs/dbraw/zinc/17/79/49/608177949.db2.gz WRWDWXRPWDFBLC-UHFFFAOYSA-N -1 3 384.381 2.458 20 5 GEBDHM CCn1c(NC(=O)c2ccc([N+](=O)[O-])s2)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825793567 608177950 /nfs/dbraw/zinc/17/79/50/608177950.db2.gz WRWDWXRPWDFBLC-UHFFFAOYSA-N -1 3 384.381 2.458 20 5 GEBDHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H](O)C(F)(F)F ZINC000825149062 608232328 /nfs/dbraw/zinc/23/23/28/608232328.db2.gz UZCOPNJQYCRZBU-ZWNOBZJWSA-N -1 3 397.317 2.437 20 5 GEBDHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H](O)C(F)(F)F ZINC000825149062 608232330 /nfs/dbraw/zinc/23/23/30/608232330.db2.gz UZCOPNJQYCRZBU-ZWNOBZJWSA-N -1 3 397.317 2.437 20 5 GEBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826174476 608265043 /nfs/dbraw/zinc/26/50/43/608265043.db2.gz YPVMNXFDBMOHTN-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826174476 608265044 /nfs/dbraw/zinc/26/50/44/608265044.db2.gz YPVMNXFDBMOHTN-UHFFFAOYSA-N -1 3 378.352 2.090 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3c4ccccc4C[C@@H]3O)cc(-c3nnn[n-]3)c2c1 ZINC000826499629 608368469 /nfs/dbraw/zinc/36/84/69/608368469.db2.gz QEOSBJQIEMFPAB-WMZOPIPTSA-N -1 3 389.375 2.393 20 5 GEBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3c4ccccc4C[C@@H]3O)cc(-c3nn[n-]n3)c2c1 ZINC000826499629 608368471 /nfs/dbraw/zinc/36/84/71/608368471.db2.gz QEOSBJQIEMFPAB-WMZOPIPTSA-N -1 3 389.375 2.393 20 5 GEBDHM Cc1cnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c([N+](=O)[O-])c1 ZINC000826318965 608410273 /nfs/dbraw/zinc/41/02/73/608410273.db2.gz IKLXSXAFUXYNRI-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cc1cnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c([N+](=O)[O-])c1 ZINC000826318965 608410275 /nfs/dbraw/zinc/41/02/75/608410275.db2.gz IKLXSXAFUXYNRI-UHFFFAOYSA-N -1 3 377.368 2.481 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826302595 608426760 /nfs/dbraw/zinc/42/67/60/608426760.db2.gz NNPOYEOMPOVDKU-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826302595 608426762 /nfs/dbraw/zinc/42/67/62/608426762.db2.gz NNPOYEOMPOVDKU-NSHDSACASA-N -1 3 388.409 2.123 20 5 GEBDHM Cc1nn(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000826334745 608488331 /nfs/dbraw/zinc/48/83/31/608488331.db2.gz HYSYNTZCTXUJRZ-UHFFFAOYSA-N -1 3 380.412 2.335 20 5 GEBDHM Cc1nn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000826334745 608488334 /nfs/dbraw/zinc/48/83/34/608488334.db2.gz HYSYNTZCTXUJRZ-UHFFFAOYSA-N -1 3 380.412 2.335 20 5 GEBDHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867302 608545595 /nfs/dbraw/zinc/54/55/95/608545595.db2.gz OZVCJVLBLFNOMF-SFYZADRCSA-N -1 3 378.776 2.372 20 5 GEBDHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1=O ZINC000824867302 608545596 /nfs/dbraw/zinc/54/55/96/608545596.db2.gz OZVCJVLBLFNOMF-SFYZADRCSA-N -1 3 378.776 2.372 20 5 GEBDHM O=[N+]([O-])c1ccsc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826500513 608583026 /nfs/dbraw/zinc/58/30/26/608583026.db2.gz ANXCVHMTVCUPOV-UHFFFAOYSA-N -1 3 375.389 2.302 20 5 GEBDHM COc1cc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)ccc1[N+](=O)[O-] ZINC000826178921 608874325 /nfs/dbraw/zinc/87/43/25/608874325.db2.gz RCJLTLMHFHOXAC-JYRVWZFOSA-N -1 3 392.331 2.128 20 5 GEBDHM COc1cc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)ccc1[N+](=O)[O-] ZINC000826178921 608874326 /nfs/dbraw/zinc/87/43/26/608874326.db2.gz RCJLTLMHFHOXAC-JYRVWZFOSA-N -1 3 392.331 2.128 20 5 GEBDHM C[C@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000824669197 609164665 /nfs/dbraw/zinc/16/46/65/609164665.db2.gz AVYMCWHXZVIYRO-ZDUSSCGKSA-N -1 3 383.290 2.048 20 5 GEBDHM C[C@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC000824669197 609164668 /nfs/dbraw/zinc/16/46/68/609164668.db2.gz AVYMCWHXZVIYRO-ZDUSSCGKSA-N -1 3 383.290 2.048 20 5 GEBDHM Cn1ccnc1[C@H](NCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000826364222 609172559 /nfs/dbraw/zinc/17/25/59/609172559.db2.gz OUHRAFLNVMWNFW-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM Cn1ccnc1[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000826364222 609172560 /nfs/dbraw/zinc/17/25/60/609172560.db2.gz OUHRAFLNVMWNFW-QGZVFWFLSA-N -1 3 390.407 2.388 20 5 GEBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1sccc1-c1nnn[n-]1 ZINC000826424356 609313621 /nfs/dbraw/zinc/31/36/21/609313621.db2.gz IPDVXUDLMVDQAX-UHFFFAOYSA-N -1 3 396.392 2.339 20 5 GEBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1sccc1-c1nn[n-]n1 ZINC000826424356 609313622 /nfs/dbraw/zinc/31/36/22/609313622.db2.gz IPDVXUDLMVDQAX-UHFFFAOYSA-N -1 3 396.392 2.339 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000826263554 609383079 /nfs/dbraw/zinc/38/30/79/609383079.db2.gz HCBZSZANMYVIHT-UHFFFAOYSA-N -1 3 398.402 2.252 20 5 GEBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000826263554 609383080 /nfs/dbraw/zinc/38/30/80/609383080.db2.gz HCBZSZANMYVIHT-UHFFFAOYSA-N -1 3 398.402 2.252 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453786 609384427 /nfs/dbraw/zinc/38/44/27/609384427.db2.gz ZMAYNEMCYSUMDE-OAHLLOKOSA-N -1 3 397.326 2.046 20 5 GEBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000826453786 609384429 /nfs/dbraw/zinc/38/44/29/609384429.db2.gz ZMAYNEMCYSUMDE-OAHLLOKOSA-N -1 3 397.326 2.046 20 5 GEBDHM COc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000826177618 609466906 /nfs/dbraw/zinc/46/69/06/609466906.db2.gz OSUBRYDTEKJKKS-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM COc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000826177618 609466908 /nfs/dbraw/zinc/46/69/08/609466908.db2.gz OSUBRYDTEKJKKS-UHFFFAOYSA-N -1 3 385.336 2.149 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826293441 609629755 /nfs/dbraw/zinc/62/97/55/609629755.db2.gz PEWJELDOERVLQB-MEDUHNTESA-N -1 3 383.364 2.421 20 5 GEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826293441 609629756 /nfs/dbraw/zinc/62/97/56/609629756.db2.gz PEWJELDOERVLQB-MEDUHNTESA-N -1 3 383.364 2.421 20 5 GEBDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000447028260 649994858 /nfs/dbraw/zinc/99/48/58/649994858.db2.gz NMGMQUJQPVWGSB-VXGBXAGGSA-N -1 3 393.259 2.449 20 5 GEBDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000462491291 650481967 /nfs/dbraw/zinc/48/19/67/650481967.db2.gz DFKBQIHHBKRXKO-SNVBAGLBSA-N -1 3 378.834 2.362 20 5 GEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1 ZINC000029939829 642471867 /nfs/dbraw/zinc/47/18/67/642471867.db2.gz SJAIODKWJRINJG-LLVKDONJSA-N -1 3 384.797 2.367 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cn2ccnc2)s1 ZINC000064245265 642871237 /nfs/dbraw/zinc/87/12/37/642871237.db2.gz IQXFOOWDVKDBHR-UHFFFAOYSA-N -1 3 378.435 2.380 20 5 GEBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000130945085 643856666 /nfs/dbraw/zinc/85/66/66/643856666.db2.gz ORMODVREBOMUHH-UHFFFAOYSA-N -1 3 390.215 2.441 20 5 GEBDHM COc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000542925284 650895348 /nfs/dbraw/zinc/89/53/48/650895348.db2.gz QVMFBKMFYJNRSP-UHFFFAOYSA-N -1 3 385.423 2.168 20 5 GEBDHM CC(C)OCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172967750 644348523 /nfs/dbraw/zinc/34/85/23/644348523.db2.gz SYZNEUDEELMJQG-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc([C@@H]3CNC(=O)C3)c2)s1 ZINC000543977677 650929689 /nfs/dbraw/zinc/92/96/89/650929689.db2.gz IHVFMRIYNPJALU-JTQLQIEISA-N -1 3 381.435 2.407 20 5 GEBDHM O=C(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000184257677 645013895 /nfs/dbraw/zinc/01/38/95/645013895.db2.gz JEUOFXLOWDJENO-UHFFFAOYSA-N -1 3 383.813 2.306 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000269473079 646037702 /nfs/dbraw/zinc/03/77/02/646037702.db2.gz MCNZMWKTWYWECL-IUCAKERBSA-N -1 3 379.232 2.061 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000269473083 646037773 /nfs/dbraw/zinc/03/77/73/646037773.db2.gz MCNZMWKTWYWECL-RKDXNWHRSA-N -1 3 379.232 2.061 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CC2)c(Br)c1 ZINC000269470049 646037812 /nfs/dbraw/zinc/03/78/12/646037812.db2.gz KUUSYHBAMKNMJY-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000269495102 646041274 /nfs/dbraw/zinc/04/12/74/646041274.db2.gz UUUGBTSLALEMHX-KWQFWETISA-N -1 3 379.232 2.203 20 5 GEBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000271306735 646188755 /nfs/dbraw/zinc/18/87/55/646188755.db2.gz VRKUJIVBSMUGBD-IUCAKERBSA-N -1 3 379.232 2.203 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c(Cl)c1 ZINC000289114457 646924662 /nfs/dbraw/zinc/92/46/62/646924662.db2.gz IEKANCZCBXKKAQ-CQSZACIVSA-N -1 3 378.834 2.460 20 5 GEBDHM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289306924 646930940 /nfs/dbraw/zinc/93/09/40/646930940.db2.gz JGMMTMWTKZGFRP-MRVPVSSYSA-N -1 3 379.225 2.465 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC000331370956 647382953 /nfs/dbraw/zinc/38/29/53/647382953.db2.gz BSPCYFHUKDIEGC-LLVKDONJSA-N -1 3 390.845 2.255 20 5 GEBDHM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410349 648116046 /nfs/dbraw/zinc/11/60/46/648116046.db2.gz XDXFMXKYDVOQTK-STQMWFEESA-N -1 3 382.360 2.443 20 5 GEBDHM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410347 648116144 /nfs/dbraw/zinc/11/61/44/648116144.db2.gz XDXFMXKYDVOQTK-OLZOCXBDSA-N -1 3 382.360 2.443 20 5 GEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000416493055 648147347 /nfs/dbraw/zinc/14/73/47/648147347.db2.gz FYRYXYPVWCDDDW-XCBNKYQSSA-N -1 3 392.302 2.297 20 5 GEBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCOCC2CC2)c1 ZINC000742292963 651974534 /nfs/dbraw/zinc/97/45/34/651974534.db2.gz DNHQQBVHEXHUMY-UHFFFAOYSA-N -1 3 379.232 2.062 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCOC1 ZINC000742312569 651979334 /nfs/dbraw/zinc/97/93/34/651979334.db2.gz NDBMSXSSEJNFKZ-IUCAKERBSA-N -1 3 379.232 2.061 20 5 GEBDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1ccccc1[N+](=O)[O-] ZINC000750217327 652288037 /nfs/dbraw/zinc/28/80/37/652288037.db2.gz MHNITQJYSZLOSF-UHFFFAOYSA-N -1 3 390.826 2.331 20 5 GEBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751469503 652354331 /nfs/dbraw/zinc/35/43/31/652354331.db2.gz XRHQMMWBLXMHNY-ZJUUUORDSA-N -1 3 395.275 2.433 20 5 GEBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000580204773 652370686 /nfs/dbraw/zinc/37/06/86/652370686.db2.gz DHOBTGOUAURTHZ-BXKDBHETSA-N -1 3 395.275 2.433 20 5 GEBDHM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000583553183 652489288 /nfs/dbraw/zinc/48/92/88/652489288.db2.gz HWLHHUVYRZRFJN-TVQRCGJNSA-N -1 3 382.360 2.443 20 5 GEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000756976141 652510948 /nfs/dbraw/zinc/51/09/48/652510948.db2.gz STFWXAWJLLUJCL-ZETCQYMHSA-N -1 3 376.740 2.148 20 5 GEBDHM CC1(C)OCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CO1 ZINC000758626147 652548934 /nfs/dbraw/zinc/54/89/34/652548934.db2.gz QCKCTSMKCOZGNG-UHFFFAOYSA-N -1 3 384.332 2.043 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)nc1 ZINC000593524890 652623841 /nfs/dbraw/zinc/62/38/41/652623841.db2.gz DNMZPNODVTVTFK-ZDUSSCGKSA-N -1 3 382.467 2.167 20 5 GEBDHM CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594808027 652684718 /nfs/dbraw/zinc/68/47/18/652684718.db2.gz JHUXXYXWNAJFJB-RAIGVLPGSA-N -1 3 392.861 2.093 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCC(F)(F)CC2)c(Cl)c1 ZINC000595374933 652716976 /nfs/dbraw/zinc/71/69/76/652716976.db2.gz HXQSNKXANZTWOA-UHFFFAOYSA-N -1 3 384.788 2.467 20 5 GEBDHM Cc1sc(S(=O)(=O)[N-]Nc2c(F)c(F)nc(F)c2F)cc1[N+](=O)[O-] ZINC000767438314 652925677 /nfs/dbraw/zinc/92/56/77/652925677.db2.gz RRSXRDCGJFGTOA-UHFFFAOYSA-N -1 3 386.308 2.222 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CC3)C2)c(Cl)cc1Cl ZINC000809809823 653297267 /nfs/dbraw/zinc/29/72/67/653297267.db2.gz AVSIVIUOKAMGHD-MRVPVSSYSA-N -1 3 380.253 2.417 20 5 GEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(C3CC3)C2)c(Cl)cc1Cl ZINC000809809824 653297315 /nfs/dbraw/zinc/29/73/15/653297315.db2.gz AVSIVIUOKAMGHD-QMMMGPOBSA-N -1 3 380.253 2.417 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC000779939973 653617091 /nfs/dbraw/zinc/61/70/91/653617091.db2.gz NRTJDQVSFZLLDB-VHSXEESVSA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC000779939975 653617218 /nfs/dbraw/zinc/61/72/18/653617218.db2.gz NRTJDQVSFZLLDB-ZJUUUORDSA-N -1 3 393.259 2.451 20 5 GEBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000815055545 653648611 /nfs/dbraw/zinc/64/86/11/653648611.db2.gz DREICSNRDMUMLY-UHFFFAOYSA-N -1 3 381.248 2.451 20 5 GEBDHM CCCOC(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841500810 653722250 /nfs/dbraw/zinc/72/22/50/653722250.db2.gz VSMQVFGRENQADB-UHFFFAOYSA-N -1 3 384.332 2.235 20 5 GEBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccn(C)n1 ZINC000841551326 653731716 /nfs/dbraw/zinc/73/17/16/653731716.db2.gz GNTFVKTYYBTLTP-QMMMGPOBSA-N -1 3 389.231 2.130 20 5 GEBDHM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1C ZINC000788215878 653752465 /nfs/dbraw/zinc/75/24/65/653752465.db2.gz BXWHVWAZTSYTGD-UHFFFAOYSA-N -1 3 386.817 2.089 20 5 GEBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000845976610 653875604 /nfs/dbraw/zinc/87/56/04/653875604.db2.gz RPZMLMWWIFCAJY-KBPBESRZSA-N -1 3 394.808 2.364 20 5 GEBDHM COCC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000827890730 654012089 /nfs/dbraw/zinc/01/20/89/654012089.db2.gz ZCIGJERMDPSXOG-UHFFFAOYSA-N -1 3 393.259 2.452 20 5 GEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)c(Br)c1 ZINC000849447625 654037720 /nfs/dbraw/zinc/03/77/20/654037720.db2.gz LMKDVYGPUGMMLH-VIFPVBQESA-N -1 3 391.243 2.347 20 5 GEBDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000851853852 654192457 /nfs/dbraw/zinc/19/24/57/654192457.db2.gz LMMVTAXVCWCODV-VIFPVBQESA-N -1 3 393.259 2.451 20 5 GEBDHM C[C@]1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(Cl)Cl ZINC000832146983 654239676 /nfs/dbraw/zinc/23/96/76/654239676.db2.gz CDZZVGWWFBAFPP-GFCCVEGCSA-N -1 3 397.236 2.228 20 5 GEBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(Cl)Cl ZINC000832146984 654239734 /nfs/dbraw/zinc/23/97/34/654239734.db2.gz CDZZVGWWFBAFPP-LBPRGKRZSA-N -1 3 397.236 2.228 20 5 GEBDHM O=C([O-])[C@@]12CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000903904919 654291536 /nfs/dbraw/zinc/29/15/36/654291536.db2.gz PZAGKIZYZJKHCK-BONVTDFDSA-N -1 3 385.214 2.280 20 5 GEBDHM