smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012993639 962359294 /nfs/dbraw/zinc/35/92/94/962359294.db2.gz FUAMVAQXUFFEQF-MDZDMXLPSA-N 0 0 408.483 3.562 50 5 HHBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000043003189 966886160 /nfs/dbraw/zinc/88/61/60/966886160.db2.gz FUAMVAQXUFFEQF-KTKRTIGZSA-N 0 0 408.483 3.562 50 5 HHBARN O=C(CN1CCN(C/C=C\c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000097987467 969181876 /nfs/dbraw/zinc/18/18/76/969181876.db2.gz ZOFREJJBURTLCF-DAXSKMNVSA-N 0 0 414.893 3.518 50 5 HHBARN O=C(COn1nnc2ccc([N+](=O)[O-])cc21)N1c2ccccc2Sc2ccccc21 ZINC000000708695 132231291 /nfs/dbraw/zinc/23/12/91/132231291.db2.gz KDSFUJWAOCQLKS-UHFFFAOYSA-N 0 0 419.422 3.598 50 5 HHBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 ZINC000004121241 132271695 /nfs/dbraw/zinc/27/16/95/132271695.db2.gz ZSTJPZIZPSGKSZ-UHFFFAOYSA-N 0 0 410.474 3.604 50 5 HHBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004902228 132292332 /nfs/dbraw/zinc/29/23/32/132292332.db2.gz OQDUFDIENBCIIE-UHFFFAOYSA-N 0 0 411.336 3.582 50 5 HHBARN Cc1cc2sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000004901538 132292396 /nfs/dbraw/zinc/29/23/96/132292396.db2.gz ZBPYESWFXAUVIU-UHFFFAOYSA-N 0 0 412.471 3.910 50 5 HHBARN Cc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)c(F)cc1[N+](=O)[O-] ZINC000005034525 132298927 /nfs/dbraw/zinc/29/89/27/132298927.db2.gz SJUIAPAEMIKZGR-UHFFFAOYSA-N 0 0 413.783 3.936 50 5 HHBARN O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000005060973 132300118 /nfs/dbraw/zinc/30/01/18/132300118.db2.gz TUKUCHCWWBHQIN-UHFFFAOYSA-N 0 0 412.465 3.687 50 5 HHBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 ZINC000005164417 132303682 /nfs/dbraw/zinc/30/36/82/132303682.db2.gz YIEDCBDHYHPNLU-INIZCTEOSA-N 0 0 410.522 3.662 50 5 HHBARN COc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000007031256 132322172 /nfs/dbraw/zinc/32/21/72/132322172.db2.gz IFVPFGSFYZQDKS-CQSZACIVSA-N 0 0 401.438 3.836 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000007285786 132323758 /nfs/dbraw/zinc/32/37/58/132323758.db2.gz WSNBPKMJPYSJER-UHFFFAOYSA-N 0 0 405.380 3.584 50 5 HHBARN Cc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000008855083 132333792 /nfs/dbraw/zinc/33/37/92/132333792.db2.gz NNVRYQDMWNEACV-UHFFFAOYSA-N 0 0 422.254 3.767 50 5 HHBARN O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000008892468 132333885 /nfs/dbraw/zinc/33/38/85/132333885.db2.gz JHRYUADSTCVOTA-UHFFFAOYSA-N 0 0 424.682 3.973 50 5 HHBARN CCN1C[C@H](CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000009933172 132344249 /nfs/dbraw/zinc/34/42/49/132344249.db2.gz CHEMWPAOJZZSSB-HNNXBMFYSA-N 0 0 401.488 3.676 50 5 HHBARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012587264 132364635 /nfs/dbraw/zinc/36/46/35/132364635.db2.gz AVDKMENNQACMAG-UHFFFAOYSA-N 0 0 424.432 3.670 50 5 HHBARN CCN(CC)C(=O)COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000032817099 520490962 /nfs/dbraw/zinc/49/09/62/520490962.db2.gz FCDYFUPNDQMILZ-UHFFFAOYSA-N 0 0 405.838 3.748 50 5 HHBARN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@](O)(c2ccccc2)CC1 ZINC000225811998 521916222 /nfs/dbraw/zinc/91/62/22/521916222.db2.gz IRPNBQBWSKIMTB-FQEVSTJZSA-N 0 0 404.850 3.913 50 5 HHBARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1F ZINC000032931525 524495636 /nfs/dbraw/zinc/49/56/36/524495636.db2.gz ZJFUVTRBIOZMKA-UHFFFAOYSA-N 0 0 413.449 3.519 50 5 HHBARN Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000020280127 525654003 /nfs/dbraw/zinc/65/40/03/525654003.db2.gz SGDQGDUOHXYNTQ-UHFFFAOYSA-N 0 0 421.438 3.631 50 5 HHBARN Cc1cc(=O)n2nc(COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)sc2n1 ZINC000032789088 526142385 /nfs/dbraw/zinc/14/23/85/526142385.db2.gz JNVSYOUBUARZCB-UHFFFAOYSA-N 0 0 408.439 3.537 50 5 HHBARN Cc1ccc(C(C)C)c(OCC(=O)NCCc2nc3cc([N+](=O)[O-])ccc3n2C)c1 ZINC000020412889 526247392 /nfs/dbraw/zinc/24/73/92/526247392.db2.gz ALMUHAYSZRACPM-UHFFFAOYSA-N 0 0 410.474 3.651 50 5 HHBARN Cc1cc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000032753900 526252419 /nfs/dbraw/zinc/25/24/19/526252419.db2.gz DYEIWCQNYZHRQI-UHFFFAOYSA-N 0 0 403.438 3.655 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000045030665 527437078 /nfs/dbraw/zinc/43/70/78/527437078.db2.gz CPJOQEKVMGWGOM-UHFFFAOYSA-N 0 0 404.426 3.738 50 5 HHBARN CCCCCCNC(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000004660407 534994631 /nfs/dbraw/zinc/99/46/31/534994631.db2.gz PMMUFRZEAXNARH-UHFFFAOYSA-N 0 0 411.506 3.627 50 5 HHBARN CC(=O)Oc1ccc(OC(C)=O)c2cc3c(OC(C)=O)ccc(OC(C)=O)c3cc12 ZINC000001044204 557155203 /nfs/dbraw/zinc/15/52/03/557155203.db2.gz OEXJITBZUPQYGG-UHFFFAOYSA-N 0 0 410.378 3.694 50 5 HHBARN Cn1c2c(c(-c3ccccc3)n3c2c(C(F)(F)F)nc2ccccc23)c(=O)n(C)c1=O ZINC000001444408 557265646 /nfs/dbraw/zinc/26/56/46/557265646.db2.gz QKUATJIBNHLOPV-UHFFFAOYSA-N 0 0 424.382 3.724 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(F)cc2c1OCOC2 ZINC000010723403 558430910 /nfs/dbraw/zinc/43/09/10/558430910.db2.gz GQBJFZVGQNYFDZ-UHFFFAOYSA-N 0 0 419.408 3.904 50 5 HHBARN CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2C2CC2)c([N+](=O)[O-])c1 ZINC000010837196 558488037 /nfs/dbraw/zinc/48/80/37/558488037.db2.gz AJWUCAFSGDYXSL-UHFFFAOYSA-N 0 0 405.480 3.774 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000013590710 558545821 /nfs/dbraw/zinc/54/58/21/558545821.db2.gz YKCAQFZHQZDHEN-ODLFYWEKSA-N 0 0 419.418 3.634 50 5 HHBARN CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000010922302 558570187 /nfs/dbraw/zinc/57/01/87/558570187.db2.gz QQRULDWXZWLKRB-QGZVFWFLSA-N 0 0 421.906 3.649 50 5 HHBARN COC(=O)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 ZINC000024982573 558624442 /nfs/dbraw/zinc/62/44/42/558624442.db2.gz MILMMNVPVAAVEZ-QGZVFWFLSA-N 0 0 420.490 3.637 50 5 HHBARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004561465 558728518 /nfs/dbraw/zinc/72/85/18/558728518.db2.gz ZLIDYERQJKCCPQ-UHFFFAOYSA-N 0 0 403.460 3.909 50 5 HHBARN CCCCCNc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1[N+](=O)[O-] ZINC000004660096 558873555 /nfs/dbraw/zinc/87/35/55/558873555.db2.gz MMDUQWOSHIEPPN-AEFFLSMTSA-N 0 0 424.501 3.618 50 5 HHBARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000004690828 558900330 /nfs/dbraw/zinc/90/03/30/558900330.db2.gz RRJHPHLJAONTNK-ZDUSSCGKSA-N 0 0 413.459 3.594 50 5 HHBARN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4ccnc(C5CCCC5)n4)CC3)nc2c1 ZINC000097166114 558998652 /nfs/dbraw/zinc/99/86/52/558998652.db2.gz TYPKVISAKKMIOH-UHFFFAOYSA-N 0 0 407.478 3.635 50 5 HHBARN Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000013961329 559014380 /nfs/dbraw/zinc/01/43/80/559014380.db2.gz CIRQHXRLORCUDU-UHFFFAOYSA-N 0 0 410.817 3.910 50 5 HHBARN CN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)NC1=S ZINC000004754415 559048921 /nfs/dbraw/zinc/04/89/21/559048921.db2.gz AHNHUUODYFKCRF-DHDCSXOGSA-N 0 0 403.847 3.926 50 5 HHBARN Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c21 ZINC000006275823 559116912 /nfs/dbraw/zinc/11/69/12/559116912.db2.gz IJDNWJFJFJCGMS-UHFFFAOYSA-N 0 0 406.370 3.802 50 5 HHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000014232233 559160950 /nfs/dbraw/zinc/16/09/50/559160950.db2.gz CSQRURZGOXQUFQ-CQSZACIVSA-N 0 0 414.483 3.903 50 5 HHBARN CCNc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000004866846 559193560 /nfs/dbraw/zinc/19/35/60/559193560.db2.gz IWXYFKGPAKIHJZ-UHFFFAOYSA-N 0 0 411.336 3.841 50 5 HHBARN COc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000004872649 559194095 /nfs/dbraw/zinc/19/40/95/559194095.db2.gz WGLRAARTTURUOV-UHFFFAOYSA-N 0 0 404.835 3.951 50 5 HHBARN COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])nc3C)n2)cc1OC ZINC000004872987 559194127 /nfs/dbraw/zinc/19/41/27/559194127.db2.gz WAGQMLYDVLNKOY-UHFFFAOYSA-N 0 0 409.324 3.582 50 5 HHBARN Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)nnc3c2c1 ZINC000004976314 559220212 /nfs/dbraw/zinc/22/02/12/559220212.db2.gz SNRVAOZSHLMQRX-UHFFFAOYSA-N 0 0 408.443 3.762 50 5 HHBARN CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 ZINC000004976629 559222077 /nfs/dbraw/zinc/22/20/77/559222077.db2.gz HFILKYCDAXSLFK-GFCCVEGCSA-N 0 0 413.459 3.698 50 5 HHBARN COc1ccc([C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000005059918 559237469 /nfs/dbraw/zinc/23/74/69/559237469.db2.gz AKVVHTXQCVJFBV-OAQYLSRUSA-N 0 0 412.467 3.980 50 5 HHBARN COc1cc(NC(=O)COC(=O)CSc2cc(C)ccc2C)c(C)cc1[N+](=O)[O-] ZINC000005061822 559239251 /nfs/dbraw/zinc/23/92/51/559239251.db2.gz ZTDXRZWUMBZGFA-UHFFFAOYSA-N 0 0 418.471 3.803 50 5 HHBARN CCOc1ccc(CCNC(=O)CSc2ccsc2[N+](=O)[O-])cc1OCC ZINC000005069092 559240564 /nfs/dbraw/zinc/24/05/64/559240564.db2.gz FMEGUPGWWLIDCR-UHFFFAOYSA-N 0 0 410.517 3.905 50 5 HHBARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH]c(=S)[nH]c2N1 ZINC000005072698 559241699 /nfs/dbraw/zinc/24/16/99/559241699.db2.gz DQRRZAUFTDXKCE-CYBMUJFWSA-N 0 0 402.432 3.536 50 5 HHBARN Cc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 ZINC000013208075 559280407 /nfs/dbraw/zinc/28/04/07/559280407.db2.gz WLGFIMDFPFEGIL-YBFXNURJSA-N 0 0 403.419 3.934 50 5 HHBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(cccc3Cl)s2)CC1 ZINC000005181902 559289864 /nfs/dbraw/zinc/28/98/64/559289864.db2.gz CLCAVKSJGRDDLZ-UHFFFAOYSA-N 0 0 402.863 3.820 50 5 HHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2cccc(F)c2)c1=O ZINC000005268890 560559747 /nfs/dbraw/zinc/55/97/47/560559747.db2.gz PLLJOZOHYBDNQQ-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN COc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc32)c(OC)c1 ZINC000005345197 560569830 /nfs/dbraw/zinc/56/98/30/560569830.db2.gz JWXGUCZCYCRRDU-UHFFFAOYSA-N 0 0 405.406 3.981 50 5 HHBARN CCCCc1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1 ZINC000005400622 560583520 /nfs/dbraw/zinc/58/35/20/560583520.db2.gz IZFFFDIMVDYGAJ-UHFFFAOYSA-N 0 0 406.442 3.800 50 5 HHBARN COC(=O)c1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000005559667 560611401 /nfs/dbraw/zinc/61/14/01/560611401.db2.gz UXZVPYZIYQWULY-JEBQAFNWSA-N 0 0 421.446 3.542 50 5 HHBARN CCOC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100910561 560762644 /nfs/dbraw/zinc/76/26/44/560762644.db2.gz OZULLWLCFMMPCW-MRCUWXFGSA-N 0 0 413.455 3.532 50 5 HHBARN CCC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000018135107 560779470 /nfs/dbraw/zinc/77/94/70/560779470.db2.gz NCBIPZXJULLCRK-HXUWFJFHSA-N 0 0 424.501 3.535 50 5 HHBARN CCOC(=O)c1cc(-c2ccccn2)nc2c1c(C)nn2-c1ccc([N+](=O)[O-])cc1 ZINC000005689811 560785036 /nfs/dbraw/zinc/78/50/36/560785036.db2.gz ALEZOYLHHWNPEJ-UHFFFAOYSA-N 0 0 403.398 3.876 50 5 HHBARN CCc1ccc(NC(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000005694675 560786603 /nfs/dbraw/zinc/78/66/03/560786603.db2.gz ZPWLNTZJRCHDNE-UHFFFAOYSA-N 0 0 411.458 3.943 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1C ZINC000024432688 560809209 /nfs/dbraw/zinc/80/92/09/560809209.db2.gz KXDMLKDBPMVURI-UHFFFAOYSA-N 0 0 405.476 3.997 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1[N+](=O)[O-] ZINC000046069184 568426576 /nfs/dbraw/zinc/42/65/76/568426576.db2.gz GJBDFHBQWAZURS-STQMWFEESA-N 0 0 403.410 3.608 50 5 HHBARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@]1(O)C(F)(F)F ZINC000000724139 568466208 /nfs/dbraw/zinc/46/62/08/568466208.db2.gz IWEOJDZREPNXFJ-MRXNPFEDSA-N 0 0 413.739 3.749 50 5 HHBARN O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000724208 568466247 /nfs/dbraw/zinc/46/62/47/568466247.db2.gz AOMLVVHLVWGPIO-MRXNPFEDSA-N 0 0 413.739 3.858 50 5 HHBARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000024960948 568501169 /nfs/dbraw/zinc/50/11/69/568501169.db2.gz ZLRBBGMJDYWNHG-INIZCTEOSA-N 0 0 417.849 3.809 50 5 HHBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000021106840 568665848 /nfs/dbraw/zinc/66/58/48/568665848.db2.gz YZLSJZPLQKCSQA-OAQYLSRUSA-N 0 0 420.425 3.774 50 5 HHBARN CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000021188648 568679077 /nfs/dbraw/zinc/67/90/77/568679077.db2.gz XRABRYUTSHFALA-UHFFFAOYSA-N 0 0 405.295 3.630 50 5 HHBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000095993049 568678093 /nfs/dbraw/zinc/67/80/93/568678093.db2.gz GNQDZQJPKXFBOY-QGZVFWFLSA-N 0 0 411.506 3.630 50 5 HHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000021529576 568709893 /nfs/dbraw/zinc/70/98/93/568709893.db2.gz RCPWLGYIHVRPAK-UHFFFAOYSA-N 0 0 423.498 3.904 50 5 HHBARN CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000846871 568710542 /nfs/dbraw/zinc/71/05/42/568710542.db2.gz KWSQSIWGZWPUNE-UHFFFAOYSA-N 0 0 404.444 3.729 50 5 HHBARN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000851579 568711929 /nfs/dbraw/zinc/71/19/29/568711929.db2.gz HRBHRZUMWKOPFI-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275880 568714758 /nfs/dbraw/zinc/71/47/58/568714758.db2.gz MOJFAIKZUCRIRF-QGZVFWFLSA-N 0 0 410.386 3.501 50 5 HHBARN CN(Cc1cnn(C)c1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000025044487 568735705 /nfs/dbraw/zinc/73/57/05/568735705.db2.gz FDWMVRMRFXZUOF-UHFFFAOYSA-N 0 0 413.865 3.866 50 5 HHBARN Cc1csc(CNC(=O)C(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000225730266 568779716 /nfs/dbraw/zinc/77/97/16/568779716.db2.gz AMAFEZKGSZKEDW-UHFFFAOYSA-N 0 0 413.297 3.629 50 5 HHBARN COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OC)c1OC ZINC000000994313 568759822 /nfs/dbraw/zinc/75/98/22/568759822.db2.gz 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HJLLUOPPBDKALB-SGTLLEGYSA-N 0 0 402.834 3.987 50 5 HHBARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000005660132 560641921 /nfs/dbraw/zinc/64/19/21/560641921.db2.gz JXNLKCNTGZXCNU-OAHLLOKOSA-N 0 0 411.458 3.941 50 5 aggregator HHBARN CCOC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc([N+](=O)[O-])s1 ZINC000100910534 560762595 /nfs/dbraw/zinc/76/25/95/560762595.db2.gz BCBUEEIDQWNURF-HNENSFHCSA-N 0 0 419.484 3.594 50 5 HHBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCc4ccccn4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642564 560819714 /nfs/dbraw/zinc/81/97/14/560819714.db2.gz GZRBPYLQHOXXEE-ZTFGCOKTSA-N 0 0 408.458 3.570 50 5 HHBARN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccs1 ZINC000024460907 560835600 /nfs/dbraw/zinc/83/56/00/560835600.db2.gz ZNHFMXWMJJQSSF-UHFFFAOYSA-N 0 0 409.427 3.673 50 5 HHBARN CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000024493668 560840972 /nfs/dbraw/zinc/84/09/72/560840972.db2.gz AKTPEVDYHAXKDW-UHFFFAOYSA-N 0 0 405.495 3.871 50 5 HHBARN O=C(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1F ZINC000047145928 560882396 /nfs/dbraw/zinc/88/23/96/560882396.db2.gz OWVCWNAFSDWQMT-UHFFFAOYSA-N 0 0 423.379 3.596 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cn2ccc(C(F)(F)F)n2)CC1 ZINC000048289352 568434917 /nfs/dbraw/zinc/43/49/17/568434917.db2.gz OBMQSTNTGWBTDO-UHFFFAOYSA-N 0 0 423.317 3.609 50 5 HHBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(I)c1 ZINC000014898831 568450963 /nfs/dbraw/zinc/45/09/63/568450963.db2.gz NUAUFPKANFAGQB-UHFFFAOYSA-N 0 0 411.199 3.640 50 5 HHBARN Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000000653394 568457809 /nfs/dbraw/zinc/45/78/09/568457809.db2.gz SJPYFSNNVBKPGH-UHFFFAOYSA-N 0 0 416.869 3.644 50 5 HHBARN Cc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000000725170 568466234 /nfs/dbraw/zinc/46/62/34/568466234.db2.gz BVEYOAAXDNQFMO-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000788122 568474640 /nfs/dbraw/zinc/47/46/40/568474640.db2.gz JISXKGDIKMNZLE-GOSISDBHSA-N 0 0 418.405 3.527 50 5 HHBARN CCC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@](O)(c2ccc(Br)cc2)C1 ZINC000000799709 568483592 /nfs/dbraw/zinc/48/35/92/568483592.db2.gz QLEQYTJRPQGEIU-GOSISDBHSA-N 0 0 418.247 3.815 50 5 HHBARN O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000823765 568497957 /nfs/dbraw/zinc/49/79/57/568497957.db2.gz AVEAUEWVRJVQMF-UHFFFAOYSA-N 0 0 404.378 3.887 50 5 HHBARN Cc1cc2nc3s/c(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n3c2cc1C ZINC000000832924 568501421 /nfs/dbraw/zinc/50/14/21/568501421.db2.gz BZPIZCZZTXEPGD-NDENLUEZSA-N 0 0 416.462 3.773 50 5 HHBARN O=C(NC1CCCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 ZINC000000845315 568543262 /nfs/dbraw/zinc/54/32/62/568543262.db2.gz MWMKKTGVSFKYEC-UHFFFAOYSA-N 0 0 419.363 3.996 50 5 HHBARN O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCCCC1 ZINC000000845310 568543314 /nfs/dbraw/zinc/54/33/14/568543314.db2.gz CKRPSXRCWPBYRL-UHFFFAOYSA-N 0 0 419.363 3.949 50 5 HHBARN Cc1cccc(C)c1N1C(=O)c2cccc3c(NCCCO)c([N+](=O)[O-])cc(c23)C1=O ZINC000095470791 568626160 /nfs/dbraw/zinc/62/61/60/568626160.db2.gz JNAPQKWBUKEJRE-UHFFFAOYSA-N 0 0 419.437 3.960 50 5 HHBARN Cc1ccc(C)c(N2C(=O)c3cccc4c(NCCCO)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000095470793 568626198 /nfs/dbraw/zinc/62/61/98/568626198.db2.gz XHFVNOFYBNUMQP-UHFFFAOYSA-N 0 0 419.437 3.960 50 5 HHBARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000020663575 568639340 /nfs/dbraw/zinc/63/93/40/568639340.db2.gz RTWQKIZXHKSFAD-GFCCVEGCSA-N 0 0 405.252 3.607 50 5 HHBARN CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccnc1 ZINC000000877882 568734218 /nfs/dbraw/zinc/73/42/18/568734218.db2.gz NJWGOPKNKGLMSZ-ZDUSSCGKSA-N 0 0 412.475 3.696 50 5 HHBARN O=[N+]([O-])c1ccc(OC[C@H](O)Cn2c3ccccc3nc2Cc2ccccc2)cc1 ZINC000000888802 568736867 /nfs/dbraw/zinc/73/68/67/568736867.db2.gz PSGJRONFPBVXPC-LJQANCHMSA-N 0 0 403.438 3.975 50 5 HHBARN CN(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000000990047 568760371 /nfs/dbraw/zinc/76/03/71/568760371.db2.gz MYAZXBAXIURFDE-UHFFFAOYSA-N 0 0 402.414 3.647 50 5 HHBARN O=C(c1ccccc1[N+](=O)[O-])N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Cl)cc1 ZINC000096562508 568760485 /nfs/dbraw/zinc/76/04/85/568760485.db2.gz UYWNMNGJAFLSFA-INIZCTEOSA-N 0 0 413.739 3.858 50 5 HHBARN COc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000001013801 568762946 /nfs/dbraw/zinc/76/29/46/568762946.db2.gz ZAMGLPFIIJJYIS-UHFFFAOYSA-N 0 0 419.484 3.805 50 5 HHBARN COc1cc(OC)cc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000001049345 568764617 /nfs/dbraw/zinc/76/46/17/568764617.db2.gz UUSRXFJZFXWTFX-UHFFFAOYSA-N 0 0 401.400 3.637 50 5 HHBARN O=C(OCc1cccc(F)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001051527 568764866 /nfs/dbraw/zinc/76/48/66/568764866.db2.gz FISGFHBRHAPVKK-UHFFFAOYSA-N 0 0 415.398 3.924 50 5 HHBARN Cc1ccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1 ZINC000001054510 568765031 /nfs/dbraw/zinc/76/50/31/568765031.db2.gz ULJNXWJHTDUSAS-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN O=C(OCc1ccccc1F)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001074386 568765381 /nfs/dbraw/zinc/76/53/81/568765381.db2.gz QDKDJZINIDRKSY-UHFFFAOYSA-N 0 0 415.398 3.924 50 5 HHBARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000001119820 568771032 /nfs/dbraw/zinc/77/10/32/568771032.db2.gz WLDFSPWXYFTKTC-QHCPKHFHSA-N 0 0 402.406 3.602 50 5 HHBARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001131179 568773025 /nfs/dbraw/zinc/77/30/25/568773025.db2.gz QDEYZNPXDDYJFN-LLVKDONJSA-N 0 0 411.867 3.577 50 5 HHBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1-c1ccccc1 ZINC000002622458 568788107 /nfs/dbraw/zinc/78/81/07/568788107.db2.gz OCMVZWAXQFMQTH-UHFFFAOYSA-N 0 0 400.394 3.610 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc2c1CC[C@H](C)C2 ZINC000002636535 568792385 /nfs/dbraw/zinc/79/23/85/568792385.db2.gz CLETUFGAFPEMOU-NSHDSACASA-N 0 0 404.444 3.585 50 5 HHBARN Cc1sc2ncn3nc(-c4ccc(Cn5cc([N+](=O)[O-])cn5)cc4)nc3c2c1C ZINC000002808475 568811853 /nfs/dbraw/zinc/81/18/53/568811853.db2.gz JBEHULSERABJND-UHFFFAOYSA-N 0 0 405.443 3.776 50 5 HHBARN CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000002851781 568813108 /nfs/dbraw/zinc/81/31/08/568813108.db2.gz HYZRUHDYOCIJPU-UHFFFAOYSA-N 0 0 401.488 3.997 50 5 HHBARN CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000002897789 568815022 /nfs/dbraw/zinc/81/50/22/568815022.db2.gz PUPGYVWPYRZTRC-UHFFFAOYSA-N 0 0 417.761 3.637 50 5 HHBARN COc1cc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc(OC)c1 ZINC000015208201 568818678 /nfs/dbraw/zinc/81/86/78/568818678.db2.gz YHUCQBILSINMGH-UHFFFAOYSA-N 0 0 421.475 3.530 50 5 HHBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000002944696 568819743 /nfs/dbraw/zinc/81/97/43/568819743.db2.gz RXMXNPAVQCBPMG-UHFFFAOYSA-N 0 0 404.334 3.916 50 5 HHBARN CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000002976697 568832628 /nfs/dbraw/zinc/83/26/28/568832628.db2.gz XHGMCVIKCZPQHY-SFHVURJKSA-N 0 0 400.431 3.527 50 5 HHBARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002985274 568833145 /nfs/dbraw/zinc/83/31/45/568833145.db2.gz VDEQCVKYHFIKDF-UHFFFAOYSA-N 0 0 404.806 3.701 50 5 HHBARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000002984124 568833170 /nfs/dbraw/zinc/83/31/70/568833170.db2.gz NMKFGUDQSDCGNN-UHFFFAOYSA-N 0 0 404.806 3.701 50 5 HHBARN Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000006034335 568836017 /nfs/dbraw/zinc/83/60/17/568836017.db2.gz JSHOKKBTQYMFPA-UHFFFAOYSA-N 0 0 400.431 3.779 50 5 HHBARN Cc1ccc(Cl)cc1N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000057435506 568836609 /nfs/dbraw/zinc/83/66/09/568836609.db2.gz VYNLWDUKXRZBBB-UHFFFAOYSA-N 0 0 403.866 3.745 50 5 HHBARN CC1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)CC1 ZINC000003017411 568838726 /nfs/dbraw/zinc/83/87/26/568838726.db2.gz UOKFULZOIZRLSO-UHFFFAOYSA-N 0 0 420.462 3.580 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000012523084 568842180 /nfs/dbraw/zinc/84/21/80/568842180.db2.gz BMDGPOQROXHLSG-OAQYLSRUSA-N 0 0 406.869 3.658 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1C ZINC000030497835 568867703 /nfs/dbraw/zinc/86/77/03/568867703.db2.gz KDZKJUDUNIKOFK-MRXNPFEDSA-N 0 0 410.517 3.643 50 5 HHBARN COc1cc(C(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000003411900 568898344 /nfs/dbraw/zinc/89/83/44/568898344.db2.gz ACAXDFWYQPGUAU-AWEZNQCLSA-N 0 0 401.415 3.965 50 5 HHBARN Cc1csc(CCCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000058290241 568908469 /nfs/dbraw/zinc/90/84/69/568908469.db2.gz WFOMKFHDYNNWDU-UHFFFAOYSA-N 0 0 402.520 3.715 50 5 HHBARN CSc1cccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000025834365 568922351 /nfs/dbraw/zinc/92/23/51/568922351.db2.gz PCFHOVJXRAVZLH-GOEBONIOSA-N 0 0 413.499 3.889 50 5 HHBARN Cc1cccc2c1ncn(CCCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c2=O ZINC000025834448 568922363 /nfs/dbraw/zinc/92/23/63/568922363.db2.gz RRBBDJSGGOHXTI-INIZCTEOSA-N 0 0 408.458 3.613 50 5 HHBARN COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000001417279 568934801 /nfs/dbraw/zinc/93/48/01/568934801.db2.gz PTXNTVMJMKPUSF-LICLKQGHSA-N 0 0 400.412 3.849 50 5 HHBARN Cc1c(NC(=O)CCC2CCCCC2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000001428419 568936591 /nfs/dbraw/zinc/93/65/91/568936591.db2.gz NWJQETRVRZBAAD-UHFFFAOYSA-N 0 0 403.479 3.675 50 5 HHBARN CCCCCOC(=O)c1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000004180881 568949478 /nfs/dbraw/zinc/94/94/78/568949478.db2.gz SUAAMHAHBLUFSP-UHFFFAOYSA-N 0 0 411.414 3.607 50 5 HHBARN O=C(NCCCn1cnc2ccccc21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000008136470 568977124 /nfs/dbraw/zinc/97/71/24/568977124.db2.gz 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O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012906795 569021346 /nfs/dbraw/zinc/02/13/46/569021346.db2.gz RAQKMBGAKLYRBK-UHFFFAOYSA-N 0 0 415.247 3.532 50 5 HHBARN COc1cc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000016213202 569029915 /nfs/dbraw/zinc/02/99/15/569029915.db2.gz VYBRGQCJQWWHDU-UHFFFAOYSA-N 0 0 423.853 3.506 50 5 HHBARN Cc1cc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)n[nH]1 ZINC000016283461 569030356 /nfs/dbraw/zinc/03/03/56/569030356.db2.gz LSSXHXGBCKDGQM-UHFFFAOYSA-N 0 0 420.454 3.849 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(I)cc1 ZINC000001738311 569040076 /nfs/dbraw/zinc/04/00/76/569040076.db2.gz OYCIJKPCWBDWRQ-UHFFFAOYSA-N 0 0 413.171 3.852 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC=C1N=C(c2ccc(Br)cc2)OC1=O ZINC000006438836 569050703 /nfs/dbraw/zinc/05/07/03/569050703.db2.gz QDIOBJBJCQSWQK-DHDCSXOGSA-N 0 0 402.204 3.923 50 5 HHBARN O=c1/c(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2nc3ccccc3n12 ZINC000006457539 569053281 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CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1 ZINC000002236980 569318938 /nfs/dbraw/zinc/31/89/38/569318938.db2.gz PNPAJAWCVZWSTF-UHFFFAOYSA-N 0 0 407.386 3.881 50 5 HHBARN Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3cc(Cl)ccc3cc-2c1=O ZINC000002259546 569325000 /nfs/dbraw/zinc/32/50/00/569325000.db2.gz IATYQCOCWDHSRU-UHFFFAOYSA-N 0 0 416.662 3.605 50 5 HHBARN Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000002269408 569325182 /nfs/dbraw/zinc/32/51/82/569325182.db2.gz AWSGTNHKAHAWME-UHFFFAOYSA-N 0 0 402.378 3.577 50 5 HHBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2cnc3cc(F)ccc3c12 ZINC000019878170 569357400 /nfs/dbraw/zinc/35/74/00/569357400.db2.gz SNUAAOONBNBZRT-UHFFFAOYSA-N 0 0 407.357 3.943 50 5 HHBARN COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1[N+](=O)[O-] ZINC000002309222 569372834 /nfs/dbraw/zinc/37/28/34/569372834.db2.gz YCGQUTZJFBLLAV-JYRVWZFOSA-N 0 0 403.188 3.710 50 5 HHBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1ccc(F)cc1 ZINC000009327941 569392378 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O=[N+]([O-])c1ccc(-c2noc(CN(Cc3cccs3)C[C@H]3CCCO3)n2)cc1 ZINC000040118759 571175081 /nfs/dbraw/zinc/17/50/81/571175081.db2.gz ZICPXEZYRFADNR-MRXNPFEDSA-N 0 0 400.460 3.888 50 5 HHBARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000040145522 571195764 /nfs/dbraw/zinc/19/57/64/571195764.db2.gz FWJFXVAJHLWXPJ-UHFFFAOYSA-N 0 0 415.453 3.935 50 5 HHBARN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1c[nH]c2ccccc12 ZINC000009121160 571225733 /nfs/dbraw/zinc/22/57/33/571225733.db2.gz NBTGYBHFZRTDFY-UHFFFAOYSA-N 0 0 421.331 3.933 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009136851 571229822 /nfs/dbraw/zinc/22/98/22/571229822.db2.gz NXPXRDOVXQMQAI-UHFFFAOYSA-N 0 0 424.866 3.677 50 5 HHBARN Cc1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000009166876 571232940 /nfs/dbraw/zinc/23/29/40/571232940.db2.gz FNPAEPZGZQKIMC-MRVPVSSYSA-N 0 0 407.502 3.998 50 5 HHBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCCO1)C3=O 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Cc1ccc(N2CCN(C(=O)c3cccn4c(=O)c5ccccc5nc34)C[C@H]2C)cc1 ZINC000002957249 132260527 /nfs/dbraw/zinc/26/05/27/132260527.db2.gz FXTSETJTAVBHGV-GOSISDBHSA-N 0 0 412.493 3.507 50 5 HHBARN Cc1nn(CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c(C)c1[N+](=O)[O-] ZINC000003648814 132267724 /nfs/dbraw/zinc/26/77/24/132267724.db2.gz IXWXVBLQMNKPSK-UHFFFAOYSA-N 0 0 422.489 3.894 50 5 HHBARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000004121306 132271917 /nfs/dbraw/zinc/27/19/17/132271917.db2.gz IEBJQSGECUXKOD-UHFFFAOYSA-N 0 0 416.865 3.559 50 5 HHBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc(OC(F)F)c3)CC2)cc1 ZINC000004269933 132274033 /nfs/dbraw/zinc/27/40/33/132274033.db2.gz OCAGNXKOIJDMDM-UHFFFAOYSA-N 0 0 408.430 3.715 50 5 HHBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 ZINC000004412876 132276635 /nfs/dbraw/zinc/27/66/35/132276635.db2.gz IGHACNHFXFQMMR-UHFFFAOYSA-N 0 0 420.853 3.542 50 5 HHBARN O=C(CCn1c2ccccc2oc1=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004686785 132283037 /nfs/dbraw/zinc/28/30/37/132283037.db2.gz CWZMDYGEVLSBMD-UHFFFAOYSA-N 0 0 412.471 3.611 50 5 biogenic HHBARN Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 ZINC000004687943 132283436 /nfs/dbraw/zinc/28/34/36/132283436.db2.gz LNCJGCQTTVGHJF-UHFFFAOYSA-N 0 0 408.502 3.856 50 5 HHBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])C1 ZINC000006248824 132309955 /nfs/dbraw/zinc/30/99/55/132309955.db2.gz PWWRTHPLHIDHCG-KRWDZBQOSA-N 0 0 424.501 3.920 50 5 HHBARN O=C(c1cccc(OC(F)F)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000007982251 132326447 /nfs/dbraw/zinc/32/64/47/132326447.db2.gz GQUMTRSIOUGUOI-UHFFFAOYSA-N 0 0 411.792 3.812 50 5 HHBARN Cc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)n1-c1cccc(C)c1 ZINC000012563012 132364167 /nfs/dbraw/zinc/36/41/67/132364167.db2.gz LTCDBGLPWLFZTC-UHFFFAOYSA-N 0 0 424.530 3.708 50 5 HHBARN CN1CCN(c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 ZINC000012737540 132366396 /nfs/dbraw/zinc/36/63/96/132366396.db2.gz WGNKOOSBVPZEMS-UHFFFAOYSA-N 0 0 423.300 3.583 50 5 HHBARN COCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398704 522136430 /nfs/dbraw/zinc/13/64/30/522136430.db2.gz XEQPLJWWEXTIFF-UHFFFAOYSA-N 0 0 416.264 3.654 50 5 HHBARN CN(C)c1ccc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000032905170 522140046 /nfs/dbraw/zinc/14/00/46/522140046.db2.gz VVDNTVQHQPGGBV-UHFFFAOYSA-N 0 0 403.389 3.678 50 5 HHBARN COc1ccc(CCCN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OC ZINC000032819240 523933318 /nfs/dbraw/zinc/93/33/18/523933318.db2.gz LKHAGGSGUABPNY-UHFFFAOYSA-N 0 0 424.457 3.503 50 5 HHBARN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000032900278 524994594 /nfs/dbraw/zinc/99/45/94/524994594.db2.gz VXLDZDSYEPRZDT-HNNXBMFYSA-N 0 0 400.434 3.761 50 5 HHBARN Cc1c(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000072283178 525737228 /nfs/dbraw/zinc/73/72/28/525737228.db2.gz VUNHXNLNTYXZQX-QGZVFWFLSA-N 0 0 417.535 3.956 50 5 HHBARN Cc1nn(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000032856140 526268394 /nfs/dbraw/zinc/26/83/94/526268394.db2.gz VNCMMWOFJDRFBU-UHFFFAOYSA-N 0 0 408.462 3.890 50 5 HHBARN Cc1nc(-c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[nH]1 ZINC000032915388 526577321 /nfs/dbraw/zinc/57/73/21/526577321.db2.gz HPJWMMZIUSCNND-GFCCVEGCSA-N 0 0 410.455 3.773 50 5 HHBARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032373680 526579491 /nfs/dbraw/zinc/57/94/91/526579491.db2.gz LNCRQHHLPZPEAX-GOSISDBHSA-N 0 0 424.284 3.705 50 5 HHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(Br)c1 ZINC000032906128 527060615 /nfs/dbraw/zinc/06/06/15/527060615.db2.gz WFEGQTOLCQWVAU-UHFFFAOYSA-N 0 0 407.249 3.964 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000032779532 527373814 /nfs/dbraw/zinc/37/38/14/527373814.db2.gz MVRMWZDRORHJOW-UHFFFAOYSA-N 0 0 404.426 3.738 50 5 HHBARN CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)c1 ZINC000004688235 535447623 /nfs/dbraw/zinc/44/76/23/535447623.db2.gz SIQXKMIFKGGHNE-UHFFFAOYSA-N 0 0 410.474 3.530 50 5 HHBARN CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000010546663 557439079 /nfs/dbraw/zinc/43/90/79/557439079.db2.gz RGHVDXXASJYJHZ-CQSZACIVSA-N 0 0 424.457 3.898 50 5 HHBARN CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000022696487 557775544 /nfs/dbraw/zinc/77/55/44/557775544.db2.gz ATUXYRQPRZQMKJ-OAHLLOKOSA-N 0 0 413.927 3.549 50 5 HHBARN Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1 ZINC000020351000 558356489 /nfs/dbraw/zinc/35/64/89/558356489.db2.gz PHYZEZSWRYSPLZ-UHFFFAOYSA-N 0 0 411.303 3.832 50 5 HHBARN O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)c1ccccc1 ZINC000010781491 558452228 /nfs/dbraw/zinc/45/22/28/558452228.db2.gz IETCNAJRGIXFRS-UHFFFAOYSA-N 0 0 409.467 3.844 50 5 HHBARN CN(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(F)c1 ZINC000012794797 558467877 /nfs/dbraw/zinc/46/78/77/558467877.db2.gz DKWBWXKSTYZRNG-HSZRJFAPSA-N 0 0 417.484 3.713 50 5 HHBARN Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1 ZINC000004553111 558678652 /nfs/dbraw/zinc/67/86/52/558678652.db2.gz PXOGFGHVOITCSX-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN CC(=O)Nc1ccc(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)cc1 ZINC000038829434 558768871 /nfs/dbraw/zinc/76/88/71/558768871.db2.gz NCNBFYAGPJUGGJ-UHFFFAOYSA-N 0 0 416.481 3.705 50 5 biogenic HHBARN O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1cc2ccccc2c(=O)o1 ZINC000004802145 558780950 /nfs/dbraw/zinc/78/09/50/558780950.db2.gz GBVJZSDDSJANJJ-UHFFFAOYSA-N 0 0 408.288 3.895 50 5 HHBARN COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000033000245 558826378 /nfs/dbraw/zinc/82/63/78/558826378.db2.gz GNOAWTFRDLTSNK-UHFFFAOYSA-N 0 0 419.397 3.756 50 5 HHBARN Cc1nn(-c2c([N+](=O)[O-])c(C)nn2C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] ZINC000004593991 558829160 /nfs/dbraw/zinc/82/91/60/558829160.db2.gz AZLQUFLNCQTHSA-UHFFFAOYSA-N 0 0 400.439 3.736 50 5 HHBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Br)cc1 ZINC000004657254 558868414 /nfs/dbraw/zinc/86/84/14/558868414.db2.gz CWKOWFBHWQIAFI-UHFFFAOYSA-N 0 0 401.648 3.935 50 5 HHBARN Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000004625024 558888442 /nfs/dbraw/zinc/88/84/42/558888442.db2.gz VTDGVLHPPBBHIT-UHFFFAOYSA-N 0 0 413.290 3.876 50 5 HHBARN COc1ccc(CCNc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004683632 558894700 /nfs/dbraw/zinc/89/47/00/558894700.db2.gz PWTDAACIJVREHV-RTBURBONSA-N 0 0 423.469 3.938 50 5 HHBARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000004698649 558900947 /nfs/dbraw/zinc/90/09/47/558900947.db2.gz SPGHQSIATNCSSH-UHFFFAOYSA-N 0 0 414.443 3.904 50 5 HHBARN Cc1c(C(=O)NC[C@H](c2cccc3ccccc32)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000023106405 559010149 /nfs/dbraw/zinc/01/01/49/559010149.db2.gz NHEWYOSGJGIWRI-HSZRJFAPSA-N 0 0 419.481 3.860 50 5 HHBARN Cc1nn(Cc2ccc(C(=O)Nc3c(C)[nH]nc3C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000013960127 559012189 /nfs/dbraw/zinc/01/21/89/559012189.db2.gz AKLUWFKNOUTZTN-UHFFFAOYSA-N 0 0 422.367 3.759 50 5 HHBARN Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000023157603 559022447 /nfs/dbraw/zinc/02/24/47/559022447.db2.gz LYWWNMYPMMYEHO-MKBNYLNASA-N 0 0 401.492 3.780 50 5 HHBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004749978 559043651 /nfs/dbraw/zinc/04/36/51/559043651.db2.gz OIWFCEZUOQGHFH-UHFFFAOYSA-N 0 0 406.416 3.605 50 5 HHBARN Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc3C2)cc1 ZINC000004777073 559057061 /nfs/dbraw/zinc/05/70/61/559057061.db2.gz PJCIELZZZWLYNL-MRXNPFEDSA-N 0 0 402.410 3.858 50 5 HHBARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C[C@@H](C)O1 ZINC000014121653 559152427 /nfs/dbraw/zinc/15/24/27/559152427.db2.gz WAMBUZJONDQFNZ-GHMZBOCLSA-N 0 0 410.883 3.566 50 5 HHBARN C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC1=CCCCC1 ZINC000004840366 559167268 /nfs/dbraw/zinc/16/72/68/559167268.db2.gz JJABPXLQUHFDAP-MRXNPFEDSA-N 0 0 415.490 3.747 50 5 HHBARN O=C(CN1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccccc1 ZINC000023617481 559178189 /nfs/dbraw/zinc/17/81/89/559178189.db2.gz IPJQMAFSUDDEJJ-UHFFFAOYSA-N 0 0 405.458 3.658 50 5 HHBARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000004928844 559207295 /nfs/dbraw/zinc/20/72/95/559207295.db2.gz OVZXVXTUIFIMOC-IBGZPJMESA-N 0 0 406.398 3.553 50 5 HHBARN CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(Br)c1 ZINC000004978282 559220340 /nfs/dbraw/zinc/22/03/40/559220340.db2.gz MKPZDJKKRHJRNB-UHFFFAOYSA-N 0 0 409.236 3.946 50 5 HHBARN Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000005008442 559226555 /nfs/dbraw/zinc/22/65/55/559226555.db2.gz URQMDPGDDYPDED-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN Cc1nc2c(c3nc4ccccc4nc3n2C[C@H]2CCCO2)c(=O)n1C1CCCC1 ZINC000005065918 559239807 /nfs/dbraw/zinc/23/98/07/559239807.db2.gz DNAPSMQATTVTHP-MRXNPFEDSA-N 0 0 403.486 3.897 50 5 HHBARN Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3C(C)C)c(=O)n2c1 ZINC000100630666 559246993 /nfs/dbraw/zinc/24/69/93/559246993.db2.gz WGJKMGKBCYGLKW-MRXNPFEDSA-N 0 0 415.497 3.509 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000005269401 560560247 /nfs/dbraw/zinc/56/02/47/560560247.db2.gz VYFVSBVFDHDKDV-UHFFFAOYSA-N 0 0 413.817 3.719 50 5 HHBARN CC(C)(C)NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005284025 560562504 /nfs/dbraw/zinc/56/25/04/560562504.db2.gz ZQTRQMHIBDOXSO-SFQUDFHCSA-N 0 0 401.850 3.934 50 5 HHBARN COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1OC ZINC000005372520 560574388 /nfs/dbraw/zinc/57/43/88/560574388.db2.gz ZMJFTKVNEHQYNK-UHFFFAOYSA-N 0 0 404.766 3.568 50 5 HHBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl ZINC000005559499 560615203 /nfs/dbraw/zinc/61/52/03/560615203.db2.gz KXWVRAUXFPTSIK-UHFFFAOYSA-N 0 0 404.593 3.746 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCCSc1ccccc1 ZINC000005638046 560635823 /nfs/dbraw/zinc/63/58/23/560635823.db2.gz FNIWGBTVTQERFJ-UHFFFAOYSA-N 0 0 421.544 3.974 50 5 HHBARN O=c1c2c(-c3ccccc3[N+](=O)[O-])c3c([nH]c-2nn1-c1ccccc1)CCCC3=O ZINC000018195864 560782458 /nfs/dbraw/zinc/78/24/58/560782458.db2.gz LJDXILVUFVSWBK-UHFFFAOYSA-N 0 0 400.394 3.808 50 5 HHBARN CC1=CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 ZINC000102075853 560807674 /nfs/dbraw/zinc/80/76/74/560807674.db2.gz POIAQCMMXQUSHM-RTBURBONSA-N 0 0 406.394 3.660 50 5 HHBARN CC1=CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 ZINC000102075857 560807694 /nfs/dbraw/zinc/80/76/94/560807694.db2.gz POIAQCMMXQUSHM-MOPGFXCFSA-N 0 0 406.394 3.660 50 5 HHBARN COc1ccc(Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1OC ZINC000102784862 560827542 /nfs/dbraw/zinc/82/75/42/560827542.db2.gz JDCJZUOWUUAPOF-HOTGVXAUSA-N 0 0 423.425 3.811 50 5 HHBARN COc1cccc(C2=NN(c3ccccc3)C(=O)[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000103037750 560836670 /nfs/dbraw/zinc/83/66/70/560836670.db2.gz NVNADJICCDPBNX-HXUWFJFHSA-N 0 0 415.405 3.853 50 5 HHBARN Cc1ccc([C@H](CNc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)N2CCOCC2)o1 ZINC000048288490 568434782 /nfs/dbraw/zinc/43/47/82/568434782.db2.gz YRQSWVUTXKEPBS-IBGZPJMESA-N 0 0 423.473 3.747 50 5 HHBARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000000674410 568460698 /nfs/dbraw/zinc/46/06/98/568460698.db2.gz LGDCJGVQSOGKEX-UHFFFAOYSA-N 0 0 423.260 3.598 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000000708987 568462816 /nfs/dbraw/zinc/46/28/16/568462816.db2.gz FFZXDGUHEBCAQU-INIZCTEOSA-N 0 0 402.863 3.680 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000832275 568501480 /nfs/dbraw/zinc/50/14/80/568501480.db2.gz YRYGSKJRWWHSQK-UHFFFAOYSA-N 0 0 423.878 3.675 50 5 HHBARN COc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1 ZINC000021112425 568668292 /nfs/dbraw/zinc/66/82/92/568668292.db2.gz SVKZCXBZBOGTTJ-LFYBBSHMSA-N 0 0 415.427 3.871 50 5 HHBARN O=C(CSc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccs2)CC1 ZINC000096010333 568683659 /nfs/dbraw/zinc/68/36/59/568683659.db2.gz OZLYYARCTZNOQI-UHFFFAOYSA-N 0 0 411.936 3.746 50 5 HHBARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000024987646 568695574 /nfs/dbraw/zinc/69/55/74/568695574.db2.gz JBJKLDCMRCIAKR-UHFFFAOYSA-N 0 0 413.503 3.673 50 5 HHBARN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 ZINC000000850967 568712118 /nfs/dbraw/zinc/71/21/18/568712118.db2.gz YZWFWCVTKPWILK-AQTBWJFISA-N 0 0 407.382 3.606 50 5 HHBARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000867176 568713752 /nfs/dbraw/zinc/71/37/52/568713752.db2.gz GWVGVWGCMVFPIA-QGZVFWFLSA-N 0 0 416.821 3.523 50 5 HHBARN C[C@@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000018705226 568738711 /nfs/dbraw/zinc/73/87/11/568738711.db2.gz DPDGXUKILBGHFN-MRXNPFEDSA-N 0 0 420.473 3.657 50 5 HHBARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000000885991 568738925 /nfs/dbraw/zinc/73/89/25/568738925.db2.gz FSENBJCRODKMLT-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 ZINC000000947085 568754674 /nfs/dbraw/zinc/75/46/74/568754674.db2.gz WJFYEOQVGRJGIK-UHFFFAOYSA-N 0 0 408.366 3.537 50 5 HHBARN COc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OC)c1OC ZINC000000994312 568760886 /nfs/dbraw/zinc/76/08/86/568760886.db2.gz FYWCGCGJGDUSMZ-MDWZMJQESA-N 0 0 418.789 3.619 50 5 HHBARN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000991235 568761501 /nfs/dbraw/zinc/76/15/01/568761501.db2.gz XVUCGEXSWPAJDU-UHFFFAOYSA-N 0 0 423.377 3.997 50 5 HHBARN O=[N+]([O-])c1ccc(C[C@H](O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 ZINC000001023600 568763402 /nfs/dbraw/zinc/76/34/02/568763402.db2.gz NOLLQEWYOWVTOO-SFHVURJKSA-N 0 0 418.906 3.541 50 5 HHBARN COc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cccs2)cc1 ZINC000001050127 568764865 /nfs/dbraw/zinc/76/48/65/568764865.db2.gz VXKKSXMQGPJEQQ-UHFFFAOYSA-N 0 0 418.452 3.701 50 5 HHBARN O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001136252 568773508 /nfs/dbraw/zinc/77/35/08/568773508.db2.gz MFSJKDWDIJEOIX-UHFFFAOYSA-N 0 0 400.387 3.819 50 5 HHBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 ZINC000002501548 568776665 /nfs/dbraw/zinc/77/66/65/568776665.db2.gz HOQHPRPNOSRVMN-UHFFFAOYSA-N 0 0 411.848 3.514 50 5 HHBARN C[C@H](NC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 ZINC000225653739 568778115 /nfs/dbraw/zinc/77/81/15/568778115.db2.gz YVDHRELXRVNGPN-HNNXBMFYSA-N 0 0 401.422 3.940 50 5 HHBARN COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 ZINC000002818355 568812168 /nfs/dbraw/zinc/81/21/68/568812168.db2.gz IZJKMXVHYBXAQZ-UHFFFAOYSA-N 0 0 404.835 3.951 50 5 HHBARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000001183064 568821698 /nfs/dbraw/zinc/82/16/98/568821698.db2.gz 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O=C(Nc1ccccc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003089798 568854338 /nfs/dbraw/zinc/85/43/38/568854338.db2.gz MBLMQERAELMTTD-UHFFFAOYSA-N 0 0 407.338 3.975 50 5 HHBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000003200085 568861206 /nfs/dbraw/zinc/86/12/06/568861206.db2.gz XRJJHOWSGKJEHM-UHFFFAOYSA-N 0 0 419.415 3.872 50 5 HHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000003286225 568872518 /nfs/dbraw/zinc/87/25/18/568872518.db2.gz NKXPWHITWAUVGR-UHFFFAOYSA-N 0 0 401.378 3.651 50 5 HHBARN O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003318858 568879934 /nfs/dbraw/zinc/87/99/34/568879934.db2.gz CSCCKQRFSGFBRQ-UHFFFAOYSA-N 0 0 416.861 3.886 50 5 HHBARN CC(=O)c1ccc(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000015442805 568885932 /nfs/dbraw/zinc/88/59/32/568885932.db2.gz SVJNEERNNSECLB-OAHLLOKOSA-N 0 0 421.457 3.731 50 5 HHBARN CCCc1ccc(-c2nc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)sc2C)cc1 ZINC000058138137 568890207 /nfs/dbraw/zinc/89/02/07/568890207.db2.gz MWJBBBOQGRPTIQ-UHFFFAOYSA-N 0 0 412.471 3.780 50 5 HHBARN CC(C)NS(=O)(=O)c1ccc(NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1 ZINC000058174578 568896033 /nfs/dbraw/zinc/89/60/33/568896033.db2.gz UVRNHSBQXVVKRE-UHFFFAOYSA-N 0 0 416.459 3.549 50 5 HHBARN Cn1cnnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003431659 568901965 /nfs/dbraw/zinc/90/19/65/568901965.db2.gz LUWADQMYHKDNFE-OAHLLOKOSA-N 0 0 403.851 3.849 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1csc(-c2ccccc2)n1 ZINC000004166876 568919398 /nfs/dbraw/zinc/91/93/98/568919398.db2.gz MIYCEJDLMDTDRA-UHFFFAOYSA-N 0 0 403.485 3.548 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCCNS(=O)(=O)c1ccccc1 ZINC000004182962 568927681 /nfs/dbraw/zinc/92/76/81/568927681.db2.gz ONGBHUNASFGWEA-UHFFFAOYSA-N 0 0 417.409 3.784 50 5 HHBARN Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 ZINC000031776705 568930985 /nfs/dbraw/zinc/93/09/85/568930985.db2.gz GBAGXJRMCJXVIB-UHFFFAOYSA-N 0 0 404.835 3.814 50 5 HHBARN O=C1OCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001429739 568939603 /nfs/dbraw/zinc/93/96/03/568939603.db2.gz RDOJXINXNHTMPN-HNNXBMFYSA-N 0 0 418.327 3.945 50 5 HHBARN O=C(c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000004084409 568939622 /nfs/dbraw/zinc/93/96/22/568939622.db2.gz HVARLRJSOPTVMY-UHFFFAOYSA-N 0 0 417.333 3.535 50 5 HHBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc2c(c1)OCO2 ZINC000004087629 568941049 /nfs/dbraw/zinc/94/10/49/568941049.db2.gz MHEWHESWQKQPFH-UHFFFAOYSA-N 0 0 410.411 3.508 50 5 HHBARN COC(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000012760209 568944084 /nfs/dbraw/zinc/94/40/84/568944084.db2.gz ASLNQUNHDLNBKA-UHFFFAOYSA-N 0 0 419.436 3.878 50 5 HHBARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004118572 568944283 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OKDGNRFCZYQPKZ-UHFFFAOYSA-N 0 0 417.487 3.585 50 5 HHBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000012935077 569026284 /nfs/dbraw/zinc/02/62/84/569026284.db2.gz VJFAAGHVFYUCKV-UHFFFAOYSA-N 0 0 424.526 3.874 50 5 HHBARN CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000016039097 569028100 /nfs/dbraw/zinc/02/81/00/569028100.db2.gz VSFJRMLOGUIBII-WJFTUGDTSA-N 0 0 414.259 3.540 50 5 HHBARN Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)n1CC(F)(F)F ZINC000016405912 569041144 /nfs/dbraw/zinc/04/11/44/569041144.db2.gz AFYUEDQWBAFVIZ-UHFFFAOYSA-N 0 0 413.352 3.679 50 5 HHBARN Cc1nn(CCC(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c(C)c1[N+](=O)[O-] ZINC000006526346 569063188 /nfs/dbraw/zinc/06/31/88/569063188.db2.gz DLFULPQKTLUZGB-UHFFFAOYSA-N 0 0 412.494 3.559 50 5 HHBARN Cn1nnnc1Sc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000006552780 569065316 /nfs/dbraw/zinc/06/53/16/569065316.db2.gz XXTQLVZFMNHEPD-UHFFFAOYSA-N 0 0 412.475 3.819 50 5 HHBARN CCCCNC(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000006558329 569065684 /nfs/dbraw/zinc/06/56/84/569065684.db2.gz QSFFUCIHKUSFKR-UHFFFAOYSA-N 0 0 409.489 3.584 50 5 HHBARN O=c1c2cc3c(ccn(-c4ccccc4Cl)c3=O)nc2ccn1Cc1ccccn1 ZINC000036125584 569095665 /nfs/dbraw/zinc/09/56/65/569095665.db2.gz LNKZSQCVBIWFBV-UHFFFAOYSA-N 0 0 414.852 3.797 50 5 HHBARN CCCCCCC(=O)Nc1cc2nc3[nH]c(=O)n(CCCC)c(=O)c3nc2cc1C ZINC000006733130 569103703 /nfs/dbraw/zinc/10/37/03/569103703.db2.gz HXQQYWZUNBYZAI-UHFFFAOYSA-N 0 0 411.506 3.650 50 5 HHBARN COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000006790002 569123709 /nfs/dbraw/zinc/12/37/09/569123709.db2.gz PVGMEBNRPJUSJM-FQEVSTJZSA-N 0 0 400.431 3.892 50 5 HHBARN Cc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000036394440 569168871 /nfs/dbraw/zinc/16/88/71/569168871.db2.gz GTDYOWXDADHAAV-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN O=C(OCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccs1 ZINC000006926697 569182478 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414.220 3.958 50 5 HHBARN O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)Nc1cccc2ccccc21 ZINC000005400617 569255689 /nfs/dbraw/zinc/25/56/89/569255689.db2.gz BLBVGCZWLKIRFD-UHFFFAOYSA-N 0 0 400.394 3.610 50 5 HHBARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000089688882 569262561 /nfs/dbraw/zinc/26/25/61/569262561.db2.gz VLRXIHYRZAIVDM-UHFFFAOYSA-N 0 0 417.487 3.639 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc21 ZINC000016780457 569262852 /nfs/dbraw/zinc/26/28/52/569262852.db2.gz UJBUGKBNYBWLTM-UHFFFAOYSA-N 0 0 409.467 3.702 50 5 HHBARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000089780792 569264233 /nfs/dbraw/zinc/26/42/33/569264233.db2.gz PFHHWSXAQXVUIJ-UHFFFAOYSA-N 0 0 423.878 3.675 50 5 HHBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000017094120 569274841 /nfs/dbraw/zinc/27/48/41/569274841.db2.gz YGSGBHXUXWCPFF-UHFFFAOYSA-N 0 0 424.804 3.800 50 5 HHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1 ZINC000007890956 569318620 /nfs/dbraw/zinc/31/86/20/569318620.db2.gz FZUYVLOXQYBDFR-UHFFFAOYSA-N 0 0 405.410 3.542 50 5 HHBARN CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000027519491 569328049 /nfs/dbraw/zinc/32/80/49/569328049.db2.gz KNVSTOMHDPETPY-NVNXTCNLSA-N 0 0 401.356 3.961 50 5 HHBARN COCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000002298313 569369576 /nfs/dbraw/zinc/36/95/76/569369576.db2.gz QTASZTTYBGXBLL-UHFFFAOYSA-N 0 0 419.872 3.892 50 5 HHBARN Cc1nc2c(c3nc4ccccc4nc3n2C[C@H]2CCCO2)c(=O)n1CCC(C)C ZINC000002418247 569397566 /nfs/dbraw/zinc/39/75/66/569397566.db2.gz HLCYVIPGAUROIJ-MRXNPFEDSA-N 0 0 405.502 3.828 50 5 HHBARN COc1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012975196 569405604 /nfs/dbraw/zinc/40/56/04/569405604.db2.gz CBMADXRHONDOFW-SFHVURJKSA-N 0 0 404.469 3.733 50 5 HHBARN CCOc1cc2c(cc1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000012981178 569405775 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Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000000647459 568457342 /nfs/dbraw/zinc/45/73/42/568457342.db2.gz IWGGPFZDXQPJFL-UHFFFAOYSA-N 0 0 423.260 3.749 50 5 HHBARN O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000724207 568466144 /nfs/dbraw/zinc/46/61/44/568466144.db2.gz AOMLVVHLVWGPIO-INIZCTEOSA-N 0 0 413.739 3.858 50 5 HHBARN O=C(CN1CCN(C/C=C\c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005772479 568483110 /nfs/dbraw/zinc/48/31/10/568483110.db2.gz DYFMTPXGVVXJFP-DAXSKMNVSA-N 0 0 414.893 3.518 50 5 HHBARN O=c1c2c3c(sc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1)CCC3 ZINC000020152557 568590828 /nfs/dbraw/zinc/59/08/28/568590828.db2.gz JNWHVSXPHPZSIS-UHFFFAOYSA-N 0 0 419.462 3.659 50 5 HHBARN O=C(Nc1cccc(-n2cnnc2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000095432824 568609352 /nfs/dbraw/zinc/60/93/52/568609352.db2.gz JJIYQLXVFWTUAH-UHFFFAOYSA-N 0 0 422.626 3.844 50 5 HHBARN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000095441479 568610846 /nfs/dbraw/zinc/61/08/46/568610846.db2.gz BQDLMPLJSYXVHV-UHFFFAOYSA-N 0 0 403.744 3.861 50 5 HHBARN O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)cc4oc3c(-c3ccc[nH]c3=O)c12 ZINC000095473527 568628860 /nfs/dbraw/zinc/62/88/60/568628860.db2.gz CGSIPTOHGJXDDR-UHFFFAOYSA-N 0 0 402.410 3.800 50 5 HHBARN O=C(NCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C(F)(F)F)cc1 ZINC000096279047 568717169 /nfs/dbraw/zinc/71/71/69/568717169.db2.gz VMJXUVSJWKNGQA-UHFFFAOYSA-N 0 0 406.320 3.636 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1-n1c(C)nc2ccc(I)cc2c1=O ZINC000000997144 568760001 /nfs/dbraw/zinc/76/00/01/568760001.db2.gz DBHLUOUQWBLPRX-UHFFFAOYSA-N 0 0 421.194 3.515 50 5 HHBARN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001023881 568763299 /nfs/dbraw/zinc/76/32/99/568763299.db2.gz ZBTNBQOBRBUENP-UHFFFAOYSA-N 0 0 414.201 3.881 50 5 HHBARN Cc1nn(Cc2nnc(SCc3c(F)cccc3Cl)n2C)c(C)c1[N+](=O)[O-] ZINC000001038233 568764127 /nfs/dbraw/zinc/76/41/27/568764127.db2.gz VWRPGTANKACDPE-UHFFFAOYSA-N 0 0 410.862 3.670 50 5 HHBARN Cc1sc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000025340034 568764811 /nfs/dbraw/zinc/76/48/11/568764811.db2.gz WFLPRCSRBCRUOZ-UHFFFAOYSA-N 0 0 408.789 3.874 50 5 HHBARN COc1cc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc(OC)c1OC ZINC000001144500 568772483 /nfs/dbraw/zinc/77/24/83/568772483.db2.gz CGDVTYBQHWPUIL-UHFFFAOYSA-N 0 0 416.459 3.708 50 5 HHBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1 ZINC000002475297 568773602 /nfs/dbraw/zinc/77/36/02/568773602.db2.gz QCEKYCZBEODSMN-UHFFFAOYSA-N 0 0 411.848 3.514 50 5 HHBARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001151288 568774132 /nfs/dbraw/zinc/77/41/32/568774132.db2.gz MIPIEJOYRGIRJV-QMMMGPOBSA-N 0 0 408.197 3.525 50 5 HHBARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000001156888 568774456 /nfs/dbraw/zinc/77/44/56/568774456.db2.gz XEFDPJFZWHQWKC-INIZCTEOSA-N 0 0 422.775 3.793 50 5 HHBARN O=[N+]([O-])c1cc2c(cc1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)OCO2 ZINC000055543838 568779072 /nfs/dbraw/zinc/77/90/72/568779072.db2.gz TWMIYUODTIBIKT-UHFFFAOYSA-N 0 0 409.364 3.665 50 5 HHBARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2C)c1 ZINC000002531726 568780768 /nfs/dbraw/zinc/78/07/68/568780768.db2.gz SLZVWRAHJLVMSR-UHFFFAOYSA-N 0 0 401.423 3.569 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000002636536 568792427 /nfs/dbraw/zinc/79/24/27/568792427.db2.gz CLETUFGAFPEMOU-LLVKDONJSA-N 0 0 404.444 3.585 50 5 HHBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002646359 568795150 /nfs/dbraw/zinc/79/51/50/568795150.db2.gz CODAPLMLDWQCAT-KRWDZBQOSA-N 0 0 424.457 3.549 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2Cl)cc1 ZINC000002711608 568802182 /nfs/dbraw/zinc/80/21/82/568802182.db2.gz WWADAZYLNCMXCR-UHFFFAOYSA-N 0 0 411.892 3.542 50 5 HHBARN CC(=O)Nc1cccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000002729019 568804108 /nfs/dbraw/zinc/80/41/08/568804108.db2.gz VFZLOSKUFDIWHZ-UHFFFAOYSA-N 0 0 407.430 3.667 50 5 HHBARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(CC)cc1[N+](=O)[O-])C[C@@H](CC)CC2 ZINC000002731045 568804916 /nfs/dbraw/zinc/80/49/16/568804916.db2.gz FTSPFQYHYBISCF-NSHDSACASA-N 0 0 420.491 3.817 50 5 HHBARN Cc1cc(C(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c2ccccc2n1 ZINC000002746456 568806268 /nfs/dbraw/zinc/80/62/68/568806268.db2.gz FJGZJRJETDKPHE-UHFFFAOYSA-N 0 0 422.422 3.857 50 5 HHBARN Cc1cnc(NC(=O)c2cccc(Cn3cc(Br)c([N+](=O)[O-])n3)c2)s1 ZINC000002763482 568807251 /nfs/dbraw/zinc/80/72/51/568807251.db2.gz YWBWZSORNYIAQW-UHFFFAOYSA-N 0 0 422.264 3.619 50 5 HHBARN COc1ccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1[N+](=O)[O-] ZINC000002872775 568813993 /nfs/dbraw/zinc/81/39/93/568813993.db2.gz CURSSEIAFSGSGU-UHFFFAOYSA-N 0 0 412.368 3.516 50 5 HHBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)c2ccccc2C1=O ZINC000002880968 568814152 /nfs/dbraw/zinc/81/41/52/568814152.db2.gz HCZZWVMQPZFMRX-UHFFFAOYSA-N 0 0 419.368 3.588 50 5 HHBARN CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000002899433 568815063 /nfs/dbraw/zinc/81/50/63/568815063.db2.gz IWESDZOGLZUPGE-UHFFFAOYSA-N 0 0 417.761 3.637 50 5 HHBARN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000001207471 568823449 /nfs/dbraw/zinc/82/34/49/568823449.db2.gz ASBVWCJKXMIGDR-UHFFFAOYSA-N 0 0 407.361 3.729 50 5 HHBARN O=C(Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005855574 568826079 /nfs/dbraw/zinc/82/60/79/568826079.db2.gz XIIUWUAGHZLOSN-UHFFFAOYSA-N 0 0 410.474 3.674 50 5 HHBARN O=[N+]([O-])c1cccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)c1 ZINC000002958571 568830002 /nfs/dbraw/zinc/83/00/02/568830002.db2.gz OVGZGMCMOFXFEE-UHFFFAOYSA-N 0 0 416.260 3.974 50 5 HHBARN O=C(NCCNc1ccc2ccccc2c1)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000002965628 568830909 /nfs/dbraw/zinc/83/09/09/568830909.db2.gz GYJVREVWNBERJK-UHFFFAOYSA-N 0 0 408.461 3.843 50 5 HHBARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccco1 ZINC000002991355 568835968 /nfs/dbraw/zinc/83/59/68/568835968.db2.gz LJZBDNNFDWFCOJ-UHFFFAOYSA-N 0 0 410.411 3.567 50 5 HHBARN O=C(Nc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccco1 ZINC000002994798 568836076 /nfs/dbraw/zinc/83/60/76/568836076.db2.gz KXHRYBFFNVSSCN-UHFFFAOYSA-N 0 0 410.411 3.567 50 5 HHBARN O=C(c1ccc(S(=O)(=O)Cc2cccc(F)c2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000003017440 568838718 /nfs/dbraw/zinc/83/87/18/568838718.db2.gz KYLPCLYRZGKZRR-UHFFFAOYSA-N 0 0 420.462 3.724 50 5 HHBARN Cc1ccccc1CS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000003017461 568838744 /nfs/dbraw/zinc/83/87/44/568838744.db2.gz NFYLPBUPGLYABQ-UHFFFAOYSA-N 0 0 402.472 3.503 50 5 HHBARN CC[C@H](C)NC(=O)CSc1ccc(C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000003020903 568840203 /nfs/dbraw/zinc/84/02/03/568840203.db2.gz RKPFFRRPWINUOA-ZDUSSCGKSA-N 0 0 417.487 3.863 50 5 HHBARN O=C(Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000003090069 568854342 /nfs/dbraw/zinc/85/43/42/568854342.db2.gz PLIVSMZTSXKRKL-UHFFFAOYSA-N 0 0 407.338 3.975 50 5 HHBARN O=C1OC(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Br)cc1 ZINC000003101576 568855199 /nfs/dbraw/zinc/85/51/99/568855199.db2.gz LIFFADASIMSJRI-RZNTYIFUSA-N 0 0 418.159 3.610 50 5 HHBARN Cc1onc(-c2ccccc2)c1C(=O)OCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003170806 568859402 /nfs/dbraw/zinc/85/94/02/568859402.db2.gz RAAYQSATDQVNHI-UHFFFAOYSA-N 0 0 413.342 3.702 50 5 HHBARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000003237122 568865785 /nfs/dbraw/zinc/86/57/85/568865785.db2.gz WFISRUBKLNJLNM-UHFFFAOYSA-N 0 0 405.410 3.817 50 5 HHBARN O=C(CSc1cc(Cl)ccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003241430 568866366 /nfs/dbraw/zinc/86/63/66/568866366.db2.gz WNPAUUYXTHQDQY-CQSZACIVSA-N 0 0 401.271 3.844 50 5 HHBARN O=C(Nc1ccccc1N1CCCCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000057923433 568867651 /nfs/dbraw/zinc/86/76/51/568867651.db2.gz UCOJOJHMXPFPNH-UHFFFAOYSA-N 0 0 424.505 3.724 50 5 HHBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000030530243 568869992 /nfs/dbraw/zinc/86/99/92/568869992.db2.gz YOFOSTFFRMUAJW-UHFFFAOYSA-N 0 0 404.473 3.589 50 5 HHBARN COc1ccc(-c2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n[nH]2)cc1 ZINC000003326011 568881178 /nfs/dbraw/zinc/88/11/78/568881178.db2.gz NITAMSYAXCUEGS-UHFFFAOYSA-N 0 0 419.850 3.773 50 5 HHBARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCO1 ZINC000003337069 568882942 /nfs/dbraw/zinc/88/29/42/568882942.db2.gz CNUNIMDCCPGXSE-HNNXBMFYSA-N 0 0 420.849 3.885 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1 ZINC000003345713 568884403 /nfs/dbraw/zinc/88/44/03/568884403.db2.gz GCUDQZSGWUAONU-GFCCVEGCSA-N 0 0 422.279 3.825 50 5 aggregator HHBARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000003537429 568913593 /nfs/dbraw/zinc/91/35/93/568913593.db2.gz KLGHUPMZEUEGBU-HSZRJFAPSA-N 0 0 401.422 3.785 50 5 HHBARN O=C(CSc1ncccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000058407049 568916503 /nfs/dbraw/zinc/91/65/03/568916503.db2.gz SEZAHSJAANRXTQ-HNNXBMFYSA-N 0 0 415.471 3.607 50 5 HHBARN CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000058452247 568919781 /nfs/dbraw/zinc/91/97/81/568919781.db2.gz RXCMFFPVYYZAAL-AWEZNQCLSA-N 0 0 424.400 3.867 50 5 HHBARN CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000004013070 568933412 /nfs/dbraw/zinc/93/34/12/568933412.db2.gz RCOQXAPQYJMRLK-UHFFFAOYSA-N 0 0 418.427 3.935 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 ZINC000004070131 568936898 /nfs/dbraw/zinc/93/68/98/568936898.db2.gz FKTXAJQBICUBOF-NJDAHSKKSA-N 0 0 415.405 3.646 50 5 HHBARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000012750181 568937712 /nfs/dbraw/zinc/93/77/12/568937712.db2.gz BXNGOXDMMSWDKD-KBPBESRZSA-N 0 0 404.492 3.547 50 5 HHBARN Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2c(Cl)cccc2Cl)n1C ZINC000001428999 568939542 /nfs/dbraw/zinc/93/95/42/568939542.db2.gz IUYGGRSDNQEBMX-UHFFFAOYSA-N 0 0 413.290 3.876 50 5 HHBARN O=C(CCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccs1 ZINC000015534163 568946011 /nfs/dbraw/zinc/94/60/11/568946011.db2.gz WBWPFEKVWAESKK-UHFFFAOYSA-N 0 0 407.879 3.621 50 5 HHBARN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(OCCCOc2ccccc2)C1 ZINC000084667942 568955169 /nfs/dbraw/zinc/95/51/69/568955169.db2.gz OZADILGKXLPZSB-INIZCTEOSA-N 0 0 424.457 3.876 50 5 HHBARN COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c([N+](=O)[O-])c1 ZINC000004290319 568958861 /nfs/dbraw/zinc/95/88/61/568958861.db2.gz CHICQEOIWNSDBF-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000004300263 568959502 /nfs/dbraw/zinc/95/95/02/568959502.db2.gz GAVSEPKKDLHEFZ-MRVPVSSYSA-N 0 0 403.269 3.772 50 5 HHBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1-c1ccccc1 ZINC000007977502 568963099 /nfs/dbraw/zinc/96/30/99/568963099.db2.gz LQUGOUSPSQVXIF-UHFFFAOYSA-N 0 0 400.394 3.610 50 5 HHBARN Cc1ccccc1N(C)C(=O)c1ccc([S@](=O)c2nccs2)c([N+](=O)[O-])c1 ZINC000038192559 568977339 /nfs/dbraw/zinc/97/73/39/568977339.db2.gz YXHLPJQQPOMPGE-HHHXNRCGSA-N 0 0 401.469 3.803 50 5 in-vitro HHBARN CCCC[S@@](=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000008448376 569003252 /nfs/dbraw/zinc/00/32/52/569003252.db2.gz FINGMKPLHVHTOP-LJAQVGFWSA-N 0 0 419.371 3.530 50 5 HHBARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000012869685 569012465 /nfs/dbraw/zinc/01/24/65/569012465.db2.gz CYTRBIRIAFKZIO-NSHDSACASA-N 0 0 416.817 3.585 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000012920110 569022927 /nfs/dbraw/zinc/02/29/27/569022927.db2.gz JSWDFTRDLPNICR-ODLFYWEKSA-N 0 0 403.419 3.934 50 5 HHBARN COc1cccc(CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000035924414 569066157 /nfs/dbraw/zinc/06/61/57/569066157.db2.gz 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O=C1Nc2ccc(F)cc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1 ZINC000017150039 569275703 /nfs/dbraw/zinc/27/57/03/569275703.db2.gz ROOZGBRVYQBIBP-OQLXKQOESA-N 0 0 403.413 3.747 50 5 HHBARN COCCNc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000007814242 569312667 /nfs/dbraw/zinc/31/26/67/569312667.db2.gz MULGBBABMVOZHC-HIGJEIRPSA-N 0 0 401.507 3.988 50 5 HHBARN COc1ccc(NC(=O)Nc2nnc(COc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002239374 569319060 /nfs/dbraw/zinc/31/90/60/569319060.db2.gz ATHYUXWJPHCNJA-UHFFFAOYSA-N 0 0 401.404 3.678 50 5 HHBARN Cc1ccc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)cc1[N+](=O)[O-] ZINC000252670608 569319226 /nfs/dbraw/zinc/31/92/26/569319226.db2.gz LDAMQWWVDZRMRT-UHFFFAOYSA-N 0 0 403.419 3.934 50 5 HHBARN COc1ccc(Br)c(C(=O)Nc2cc3cccc([N+](=O)[O-])c3oc2=O)c1 ZINC000027520790 569328147 /nfs/dbraw/zinc/32/81/47/569328147.db2.gz PRHORNWXBJDFDM-UHFFFAOYSA-N 0 0 419.187 3.725 50 5 HHBARN O=C(NCc1ccccc1)/C(=C\c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000017729484 569364626 /nfs/dbraw/zinc/36/46/26/569364626.db2.gz SMZBGMJCXCHJBW-KGENOOAVSA-N 0 0 419.412 3.821 50 5 HHBARN CCc1nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c(=O)n1CCOC ZINC000002302725 569372187 /nfs/dbraw/zinc/37/21/87/569372187.db2.gz GYBXTLLEMNAKMA-UHFFFAOYSA-N 0 0 413.481 3.552 50 5 HHBARN Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(F)cc1F ZINC000002466096 569372787 /nfs/dbraw/zinc/37/27/87/569372787.db2.gz CJCBJQMGXNBNFL-UHFFFAOYSA-N 0 0 403.183 3.559 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000002318393 569373350 /nfs/dbraw/zinc/37/33/50/569373350.db2.gz NUOJETVSCSIFPX-UHFFFAOYSA-N 0 0 407.407 3.973 50 5 HHBARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000017987617 569382162 /nfs/dbraw/zinc/38/21/62/569382162.db2.gz IFNQRPOBVCDZRH-VVFCZOMOSA-N 0 0 406.394 3.516 50 5 HHBARN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000009328490 569392380 /nfs/dbraw/zinc/39/23/80/569392380.db2.gz UZWSDIKRYFNDPE-UHFFFAOYSA-N 0 0 409.427 3.867 50 5 HHBARN CCOCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002402048 569395536 /nfs/dbraw/zinc/39/55/36/569395536.db2.gz PEORPRDLMONSBW-UHFFFAOYSA-N 0 0 417.469 3.671 50 5 HHBARN Cc1nc2c(c3nc4ccccc4nc3n2C[C@@H]2CCCO2)c(=O)n1CCC(C)C ZINC000002418248 569397647 /nfs/dbraw/zinc/39/76/47/569397647.db2.gz HLCYVIPGAUROIJ-INIZCTEOSA-N 0 0 405.502 3.828 50 5 HHBARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000012108722 569399606 /nfs/dbraw/zinc/39/96/06/569399606.db2.gz ZODUYYZWTJMKLK-VQHVLOKHSA-N 0 0 412.409 3.993 50 5 HHBARN CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(c1ccccc1)c1ccccc1 ZINC000012808578 569403731 /nfs/dbraw/zinc/40/37/31/569403731.db2.gz LNAIPGLDIFPIDS-UHFFFAOYSA-N 0 0 401.422 3.870 50 5 HHBARN CSc1ncccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000012975937 569405569 /nfs/dbraw/zinc/40/55/69/569405569.db2.gz KKXWSKMJQFKGCZ-UHFFFAOYSA-N 0 0 411.443 3.567 50 5 HHBARN C[C@H](C(=O)OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013015085 569406637 /nfs/dbraw/zinc/40/66/37/569406637.db2.gz HWHKOYAMLYGGOS-SNVBAGLBSA-N 0 0 418.254 3.807 50 5 HHBARN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000013059543 569408292 /nfs/dbraw/zinc/40/82/92/569408292.db2.gz CLSKTILJTQJNKF-UHFFFAOYSA-N 0 0 424.379 3.513 50 5 HHBARN Cc1cc(=O)c(C(=O)N[C@H](c2cccs2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000019312204 569415755 /nfs/dbraw/zinc/41/57/55/569415755.db2.gz RIMPIDWOFFFDOY-SFHVURJKSA-N 0 0 412.471 3.638 50 5 HHBARN COc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008766466 571114020 /nfs/dbraw/zinc/11/40/20/571114020.db2.gz YGZRBVPXNBGSGU-UHFFFAOYSA-N 0 0 419.397 3.756 50 5 HHBARN O=C(NCc1cccnc1OC1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000040091110 571161299 /nfs/dbraw/zinc/16/12/99/571161299.db2.gz CYZGNXDDALXGJO-UHFFFAOYSA-N 0 0 410.474 3.841 50 5 HHBARN COc1cc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 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DZGLFLVBHLJYIS-UHFFFAOYSA-N 0 0 417.830 3.549 50 5 HHBARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000009443588 571259476 /nfs/dbraw/zinc/25/94/76/571259476.db2.gz ZOALRTBAYYQVCN-UHFFFAOYSA-N 0 0 421.818 3.894 50 5 HHBARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009517645 571265222 /nfs/dbraw/zinc/26/52/22/571265222.db2.gz IHAIXFVNUOQYNS-UHFFFAOYSA-N 0 0 424.417 3.594 50 5 HHBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000009662508 571277763 /nfs/dbraw/zinc/27/77/63/571277763.db2.gz BYNBBFDMNQXDCR-UHFFFAOYSA-N 0 0 421.385 3.728 50 5 HHBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000010187796 571296162 /nfs/dbraw/zinc/29/61/62/571296162.db2.gz MFEIFGXKVMUELR-UHFFFAOYSA-N 0 0 424.360 3.532 50 5 HHBARN CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000011668584 962158835 /nfs/dbraw/zinc/15/88/35/962158835.db2.gz DITXBCGOOMAQNJ-VMPITWQZSA-N 0 0 410.835 3.904 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)/C=C\c2ccc3ccccc3n2)c1C ZINC000033470958 966407724 /nfs/dbraw/zinc/40/77/24/966407724.db2.gz QQMDAFLVYJQBGG-BENRWUELSA-N 0 0 405.410 3.955 50 5 HHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000098006637 969185355 /nfs/dbraw/zinc/18/53/55/969185355.db2.gz LTANEQBVYUWZBE-QXMHVHEDSA-N 0 0 400.456 3.963 50 5 HHBARN O=C(c1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 ZINC000004307384 132274861 /nfs/dbraw/zinc/27/48/61/132274861.db2.gz HWIPNLCHOIGBEC-UHFFFAOYSA-N 0 0 412.396 3.626 50 5 HHBARN O=C1N(Cc2cccc([N+](=O)[O-])c2)c2ccccc2S(=O)(=O)N1c1ccccc1 ZINC000004314995 132275001 /nfs/dbraw/zinc/27/50/01/132275001.db2.gz IZFCKPFNBBAPRS-UHFFFAOYSA-N 0 0 409.423 3.930 50 5 HHBARN CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 ZINC000004575566 132279046 /nfs/dbraw/zinc/27/90/46/132279046.db2.gz RAJMRNSHBURIFX-UHFFFAOYSA-N 0 0 410.474 3.530 50 5 HHBARN C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 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OROJOTNSILXNBM-UHFFFAOYSA-N 0 0 423.498 3.626 50 5 HHBARN CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000032817096 520489781 /nfs/dbraw/zinc/48/97/81/520489781.db2.gz RAGHBVLSMBMXRP-UHFFFAOYSA-N 0 0 405.838 3.748 50 5 HHBARN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1OC ZINC000032803163 520787117 /nfs/dbraw/zinc/78/71/17/520787117.db2.gz FRAAPVYIWUJENB-NRFANRHFSA-N 0 0 414.458 3.588 50 5 HHBARN CN(C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000032869518 522089690 /nfs/dbraw/zinc/08/96/90/522089690.db2.gz VKKHKLFQYYOYLZ-GOSISDBHSA-N 0 0 420.872 3.994 50 5 HHBARN CC[C@H](NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21)c1ccc(C)cc1 ZINC000036619422 522522155 /nfs/dbraw/zinc/52/21/55/522522155.db2.gz VJHLQTCDPVMYEN-SFHVURJKSA-N 0 0 416.441 3.889 50 5 HHBARN CC[C@@H](NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21)c1ccc(C)cc1 ZINC000036619423 522774494 /nfs/dbraw/zinc/77/44/94/522774494.db2.gz VJHLQTCDPVMYEN-GOSISDBHSA-N 0 0 416.441 3.889 50 5 HHBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043730802 524026409 /nfs/dbraw/zinc/02/64/09/524026409.db2.gz LTSSNJKYSUGPMN-LQNXUBFPSA-N 0 0 417.421 3.564 50 5 HHBARN Cc1ccc(C(=O)C2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)c(C)c1 ZINC000025488159 526033562 /nfs/dbraw/zinc/03/35/62/526033562.db2.gz INAOOWLRHBCXAD-UHFFFAOYSA-N 0 0 409.442 3.672 50 5 HHBARN Cc1csc(Sc2ccc(C(=O)Nc3cn(C)c(=O)cc3C)cc2[N+](=O)[O-])n1 ZINC000078987382 526399452 /nfs/dbraw/zinc/39/94/52/526399452.db2.gz DKJNDTIKQBMMFL-UHFFFAOYSA-N 0 0 416.484 3.770 50 5 HHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(I)cc1 ZINC000000682716 527093216 /nfs/dbraw/zinc/09/32/16/527093216.db2.gz QMAZIBROTWQTNU-NTEUORMPSA-N 0 0 420.162 3.544 50 5 HHBARN COc1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 ZINC000012561819 536506390 /nfs/dbraw/zinc/50/63/90/536506390.db2.gz SAFRPFLMODUKOE-UHFFFAOYSA-N 0 0 424.482 3.689 50 5 HHBARN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000001135159 536734632 /nfs/dbraw/zinc/73/46/32/536734632.db2.gz SRBUJRGGRVRZGS-UHFFFAOYSA-N 0 0 414.487 3.721 50 5 aggregator HHBARN CCN(CC)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000004358636 558446555 /nfs/dbraw/zinc/44/65/55/558446555.db2.gz NDGHPYILNJSZKS-UHFFFAOYSA-N 0 0 411.487 3.803 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1I ZINC000016346915 558787056 /nfs/dbraw/zinc/78/70/56/558787056.db2.gz YFOCKXVMPHNVLR-UHFFFAOYSA-N 0 0 413.171 3.852 50 5 HHBARN C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000013522397 558836071 /nfs/dbraw/zinc/83/60/71/558836071.db2.gz RHAHLQYOCJQBIQ-QMMMGPOBSA-N 0 0 417.727 3.846 50 5 HHBARN CCCC[C@H](CC)CNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O ZINC000004603640 558847205 /nfs/dbraw/zinc/84/72/05/558847205.db2.gz GVMYTNRWXPBXAH-JXFKEZNVSA-N 0 0 413.474 3.513 50 5 HHBARN Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000013644288 558849133 /nfs/dbraw/zinc/84/91/33/558849133.db2.gz CHMHAQYWFJATJK-UHFFFAOYSA-N 0 0 410.455 3.693 50 5 HHBARN CC(=O)OCCCNc1cc(SCc2ccccc2)c2nonc2c1[N+](=O)[O-] ZINC000004677083 558889413 /nfs/dbraw/zinc/88/94/13/558889413.db2.gz QZILTFDMODMPSA-UHFFFAOYSA-N 0 0 402.432 3.788 50 5 HHBARN COc1cccc(CCNc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2[N+](=O)[O-])c1 ZINC000004683953 558894535 /nfs/dbraw/zinc/89/45/35/558894535.db2.gz KLTLZOMTTJXTCQ-RTBURBONSA-N 0 0 421.453 3.714 50 5 HHBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NCCc4ccccn4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000004684105 558895112 /nfs/dbraw/zinc/89/51/12/558895112.db2.gz GZRBPYLQHOXXEE-FHLIZLRMSA-N 0 0 408.458 3.570 50 5 HHBARN O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004688175 558898878 /nfs/dbraw/zinc/89/88/78/558898878.db2.gz FIWQRWDPXPQJPZ-UHFFFAOYSA-N 0 0 404.275 3.682 50 5 HHBARN CS(=O)(=O)c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000023042841 558992853 /nfs/dbraw/zinc/99/28/53/558992853.db2.gz INHUOCWVIGAYQB-UHFFFAOYSA-N 0 0 416.484 3.608 50 5 HHBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)c1ccc(Br)cc1 ZINC000004743417 559044831 /nfs/dbraw/zinc/04/48/31/559044831.db2.gz OSWIUNFBOYYDHZ-KRWDZBQOSA-N 0 0 404.220 3.771 50 5 HHBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(=O)n3ccccc3n2)cc1 ZINC000011540031 559088352 /nfs/dbraw/zinc/08/83/52/559088352.db2.gz OABCLHXPOKSZEX-UHFFFAOYSA-N 0 0 403.394 3.857 50 5 HHBARN O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2cccnc2)nc1NCc1cccs1 ZINC000004821241 559124446 /nfs/dbraw/zinc/12/44/46/559124446.db2.gz PLOXDMDMPSWXRJ-UHFFFAOYSA-N 0 0 406.427 3.610 50 5 HHBARN CCOc1nn(-c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000004881455 559196535 /nfs/dbraw/zinc/19/65/35/559196535.db2.gz MCXJDXRONVVWPE-UHFFFAOYSA-N 0 0 409.324 3.664 50 5 HHBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1C[C@@H]1CCCO1 ZINC000004994508 559225470 /nfs/dbraw/zinc/22/54/70/559225470.db2.gz OEFAKAVHKXYBML-KRWDZBQOSA-N 0 0 411.465 3.522 50 5 HHBARN Cc1ccc(Cl)cc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000005054881 559237503 /nfs/dbraw/zinc/23/75/03/559237503.db2.gz HHFJAUQITFMSCT-UHFFFAOYSA-N 0 0 413.817 3.599 50 5 HHBARN COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)cc2c1OCO2 ZINC000409415565 559251273 /nfs/dbraw/zinc/25/12/73/559251273.db2.gz PSCKBAZTSWNZPW-UHFFFAOYSA-N 0 0 405.366 3.683 50 5 HHBARN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccc([N+](=O)[O-])cc1Cl ZINC000005140037 559251459 /nfs/dbraw/zinc/25/14/59/559251459.db2.gz LLHMGEMWDHEWFO-UHFFFAOYSA-N 0 0 412.833 3.937 50 5 HHBARN COc1cccc(-c2cn3c(C(=O)Nc4ncc([N+](=O)[O-])s4)csc3n2)c1 ZINC000011902286 559265730 /nfs/dbraw/zinc/26/57/30/559265730.db2.gz MENBYRVUIFVKBV-UHFFFAOYSA-N 0 0 401.429 3.688 50 5 HHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000005182008 559289873 /nfs/dbraw/zinc/28/98/73/559289873.db2.gz LLDFFDBUUIJNPS-TWGQIWQCSA-N 0 0 412.446 3.706 50 5 HHBARN CC1CCN(c2ccc(C(=O)OCC(=O)N(C)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000004871670 560614321 /nfs/dbraw/zinc/61/43/21/560614321.db2.gz OFMJCKGKTDGSAV-UHFFFAOYSA-N 0 0 411.458 3.651 50 5 HHBARN O=c1[nH]n(-c2ncnc3sc4c(c32)CCCC4)c(=O)c2cccc3cccc1c32 ZINC000003150562 560746712 /nfs/dbraw/zinc/74/67/12/560746712.db2.gz PZKBVOYOLJRODD-UHFFFAOYSA-N 0 0 400.463 3.716 50 5 HHBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000100872719 560761236 /nfs/dbraw/zinc/76/12/36/560761236.db2.gz VAKQTKWUESIWBM-ZZEZOPTASA-N 0 0 414.468 3.608 50 5 HHBARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101008565 560766349 /nfs/dbraw/zinc/76/63/49/560766349.db2.gz VLYFVRCSFKTVID-KRWDZBQOSA-N 0 0 417.874 3.741 50 5 aggregator HHBARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101008563 560766358 /nfs/dbraw/zinc/76/63/58/560766358.db2.gz VLYFVRCSFKTVID-QGZVFWFLSA-N 0 0 417.874 3.741 50 5 aggregator HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000101963331 560804646 /nfs/dbraw/zinc/80/46/46/560804646.db2.gz VGQGPDKGUUSCDS-UHFFFAOYSA-N 0 0 401.118 3.970 50 5 HHBARN Cc1ccc2c(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1 ZINC000024455118 560826232 /nfs/dbraw/zinc/82/62/32/560826232.db2.gz DPILNHUNHOMMDA-UHFFFAOYSA-N 0 0 422.437 3.969 50 5 HHBARN COc1ccccc1CNc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102783445 560827372 /nfs/dbraw/zinc/82/73/72/560827372.db2.gz VVBSWHXWHXSKTJ-CALCHBBNSA-N 0 0 407.426 3.671 50 5 HHBARN COc1ccccc1CNc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102783447 560827379 /nfs/dbraw/zinc/82/73/79/560827379.db2.gz VVBSWHXWHXSKTJ-IRXDYDNUSA-N 0 0 407.426 3.671 50 5 HHBARN O=C(c1ccccc1)[C@@H]1C(c2ccc([N+](=O)[O-])cc2)=NO[C@@]12C(=O)Nc1ccccc12 ZINC000102898690 560834925 /nfs/dbraw/zinc/83/49/25/560834925.db2.gz JHWGXAQPUPVFDH-WMZHIEFXSA-N 0 0 413.389 3.676 50 5 HHBARN O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103444100 560842088 /nfs/dbraw/zinc/84/20/88/560842088.db2.gz GCNHGMKTFZBASP-UHFFFAOYSA-N 0 0 400.225 3.682 50 5 HHBARN NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC000104305686 560850225 /nfs/dbraw/zinc/85/02/25/560850225.db2.gz CGKQBWQMYZSLSM-QINSGFPZSA-N 0 0 417.421 3.662 50 5 HHBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NCC(C)C)[C@H]3C2)cc1 ZINC000104919168 560856831 /nfs/dbraw/zinc/85/68/31/560856831.db2.gz RCSBBBDONDYNJJ-FYYLOGMGSA-N 0 0 422.529 3.543 50 5 HHBARN CCN1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106798140 560893899 /nfs/dbraw/zinc/89/38/99/560893899.db2.gz KMSCVPWMRKCWEN-NRFANRHFSA-N 0 0 420.513 3.773 50 5 HHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000046069509 568426624 /nfs/dbraw/zinc/42/66/24/568426624.db2.gz RCORGQXYOLNINH-BETUJISGSA-N 0 0 402.426 3.642 50 5 HHBARN Cc1nc(-c2cccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2)cs1 ZINC000048340979 568440420 /nfs/dbraw/zinc/44/04/20/568440420.db2.gz DDHRYRJTNVSYRK-UHFFFAOYSA-N 0 0 424.486 3.776 50 5 HHBARN Cc1cc(C(=O)CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)s1 ZINC000005768363 568455035 /nfs/dbraw/zinc/45/50/35/568455035.db2.gz YXIOSDDFZSQRAT-UHFFFAOYSA-N 0 0 405.428 3.846 50 5 HHBARN CCOCCCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000024735348 568460379 /nfs/dbraw/zinc/46/03/79/568460379.db2.gz SBICJPWOIVHLLO-UHFFFAOYSA-N 0 0 402.472 3.704 50 5 HHBARN COc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)ccc1OC(C)=O ZINC000000675732 568460669 /nfs/dbraw/zinc/46/06/69/568460669.db2.gz XXRLBMZKAWWMJK-CHHVJCJISA-N 0 0 416.773 3.527 50 5 HHBARN COc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc([N+](=O)[O-])c1 ZINC000000829536 568498095 /nfs/dbraw/zinc/49/80/95/568498095.db2.gz LUELTVKDTLEDDJ-UHFFFAOYSA-N 0 0 403.398 3.874 50 5 HHBARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000837150 568501884 /nfs/dbraw/zinc/50/18/84/568501884.db2.gz QXOOIMFNFTWLDI-UHFFFAOYSA-N 0 0 418.405 3.816 50 5 HHBARN O=[N+]([O-])c1nn(-c2cccc(C(F)(F)F)c2)[n+]([O-])c1NCc1ccccc1Cl ZINC000020177092 568592667 /nfs/dbraw/zinc/59/26/67/568592667.db2.gz VLCMQCTULOCAAL-UHFFFAOYSA-N 0 0 413.743 3.698 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531171 568627106 /nfs/dbraw/zinc/62/71/06/568627106.db2.gz OMEUFNLMCNNNDV-OAQYLSRUSA-N 0 0 401.422 3.801 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC000021481665 568703597 /nfs/dbraw/zinc/70/35/97/568703597.db2.gz ZNXBEPVWXAKSOS-INIZCTEOSA-N 0 0 423.347 3.588 50 5 HHBARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000867201 568713612 /nfs/dbraw/zinc/71/36/12/568713612.db2.gz BMZDWBRSUZOUKE-KRWDZBQOSA-N 0 0 416.821 3.523 50 5 HHBARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000867196 568713736 /nfs/dbraw/zinc/71/37/36/568713736.db2.gz ZYUISEXGZHFDOS-KRWDZBQOSA-N 0 0 416.890 3.988 50 5 HHBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000000865328 568722804 /nfs/dbraw/zinc/72/28/04/568722804.db2.gz CKYTVPVCHBCIDF-INIZCTEOSA-N 0 0 405.794 3.699 50 5 HHBARN Cc1ccc2c(c1)oc1c2c([N+](=O)[O-])c(N2CCN(c3ncccn3)CC2)nc1C ZINC000025075135 568748556 /nfs/dbraw/zinc/74/85/56/568748556.db2.gz HTPBTCWEMXTGKH-UHFFFAOYSA-N 0 0 404.430 3.623 50 5 HHBARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000001022545 568763636 /nfs/dbraw/zinc/76/36/36/568763636.db2.gz ZXXQNBBOAUBILB-MRXNPFEDSA-N 0 0 414.892 3.693 50 5 HHBARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000001063861 568766044 /nfs/dbraw/zinc/76/60/44/568766044.db2.gz PSVJLWRPTCGVKM-UHFFFAOYSA-N 0 0 404.879 3.975 50 5 HHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(OCc2cscn2)cc1 ZINC000096991214 568766160 /nfs/dbraw/zinc/76/61/60/568766160.db2.gz ZILZHGQIONEADW-QGMBQPNBSA-N 0 0 407.407 3.975 50 5 HHBARN Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)c1 ZINC000001066902 568766761 /nfs/dbraw/zinc/76/67/61/568766761.db2.gz MRVCGXPZQPYBEN-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN CC(C)OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000001125170 568771374 /nfs/dbraw/zinc/77/13/74/568771374.db2.gz DPZGPTMVBCDDTA-IZZDOVSWSA-N 0 0 413.455 3.686 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001158014 568774450 /nfs/dbraw/zinc/77/44/50/568774450.db2.gz QNOGYNUQPXHPIG-QGZVFWFLSA-N 0 0 400.822 3.823 50 5 HHBARN COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000002631877 568791148 /nfs/dbraw/zinc/79/11/48/568791148.db2.gz ZECXNJAZPVQZKR-LBPRGKRZSA-N 0 0 419.865 3.651 50 5 HHBARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1cccc([N+](=O)[O-])c1 ZINC000002655487 568797739 /nfs/dbraw/zinc/79/77/39/568797739.db2.gz VJXFZPNRBGGNKW-UHFFFAOYSA-N 0 0 406.394 3.860 50 5 HHBARN COc1ccc([C@@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000002796489 568809424 /nfs/dbraw/zinc/80/94/24/568809424.db2.gz APPFZWKHWGJRDY-CQSZACIVSA-N 0 0 408.458 3.956 50 5 HHBARN CC[C@H](Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002848555 568812944 /nfs/dbraw/zinc/81/29/44/568812944.db2.gz PXZXVXVVRNDMOT-INIZCTEOSA-N 0 0 412.475 3.778 50 5 HHBARN COc1cc(OC)c(OC)cc1/C=C1\N=C(/C=C/c2cccc([N+](=O)[O-])c2)OC1=O ZINC000002930107 568818286 /nfs/dbraw/zinc/81/82/86/568818286.db2.gz PJTGSYQFJJFVCT-SPFIUAHJSA-N 0 0 410.382 3.630 50 5 HHBARN COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000001185452 568821862 /nfs/dbraw/zinc/82/18/62/568821862.db2.gz KCRGCTAWDICWGS-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN O=C(COC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000001183921 568822116 /nfs/dbraw/zinc/82/21/16/568822116.db2.gz RYUZHPKWQLHHKG-UHFFFAOYSA-N 0 0 405.362 3.854 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000001190845 568822818 /nfs/dbraw/zinc/82/28/18/568822818.db2.gz BUZDOPPQOADKQF-QGZVFWFLSA-N 0 0 400.822 3.823 50 5 HHBARN COc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1O ZINC000001207927 568823410 /nfs/dbraw/zinc/82/34/10/568823410.db2.gz UCFIACXBWZXCSA-UHFFFAOYSA-N 0 0 406.350 3.902 50 5 HHBARN COc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1O ZINC000001208601 568823565 /nfs/dbraw/zinc/82/35/65/568823565.db2.gz ZHQMQHWRCVOWJJ-UHFFFAOYSA-N 0 0 406.350 3.902 50 5 HHBARN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1[N+](=O)[O-] ZINC000001210302 568824217 /nfs/dbraw/zinc/82/42/17/568824217.db2.gz FNQNJZJMLQGASZ-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001218704 568824863 /nfs/dbraw/zinc/82/48/63/568824863.db2.gz YFZLQNJPSDAPQW-KRWDZBQOSA-N 0 0 416.890 3.988 50 5 HHBARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1 ZINC000005842007 568825537 /nfs/dbraw/zinc/82/55/37/568825537.db2.gz HKGDNZKAFPQEFR-UHFFFAOYSA-N 0 0 415.427 3.858 50 5 HHBARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000005862057 568826515 /nfs/dbraw/zinc/82/65/15/568826515.db2.gz YBXIMSUDUZZIGS-CJNGLKHVSA-N 0 0 418.475 3.639 50 5 HHBARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000005966294 568832852 /nfs/dbraw/zinc/83/28/52/568832852.db2.gz VKNMSPTZOJEACQ-UHFFFAOYSA-N 0 0 404.369 3.867 50 5 HHBARN Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000019121054 568839062 /nfs/dbraw/zinc/83/90/62/568839062.db2.gz JTSYDTXQVZOGIC-UHFFFAOYSA-N 0 0 422.441 3.723 50 5 HHBARN COC[C@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012550387 568852926 /nfs/dbraw/zinc/85/29/26/568852926.db2.gz AFBDSHDREGUSBY-YVEFUNNKSA-N 0 0 422.279 3.662 50 5 HHBARN COC[C@@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012550384 568852933 /nfs/dbraw/zinc/85/29/33/568852933.db2.gz AFBDSHDREGUSBY-SJKOYZFVSA-N 0 0 422.279 3.662 50 5 HHBARN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1 ZINC000057994093 568873363 /nfs/dbraw/zinc/87/33/63/568873363.db2.gz VXEMURZEPJNYPI-AWEZNQCLSA-N 0 0 405.520 3.618 50 5 HHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000012621584 568877433 /nfs/dbraw/zinc/87/74/33/568877433.db2.gz WDBJCKFGLPYIBB-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNc1ccc(OCc2ccccc2)cc1 ZINC000001233028 568881068 /nfs/dbraw/zinc/88/10/68/568881068.db2.gz FPPROLFQDMMRSF-UHFFFAOYSA-N 0 0 403.394 3.839 50 5 HHBARN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)c(C)c1 ZINC000058167271 568895398 /nfs/dbraw/zinc/89/53/98/568895398.db2.gz QJSSXTOKKAQICS-QUCCMNQESA-N 0 0 419.503 3.728 50 5 HHBARN COc1ccccc1-c1nnc(SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)n1C ZINC000003495641 568909657 /nfs/dbraw/zinc/90/96/57/568909657.db2.gz XAKBCJZRCDCMAI-UHFFFAOYSA-N 0 0 424.442 3.741 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000003666247 568923658 /nfs/dbraw/zinc/92/36/58/568923658.db2.gz QOSMKEBOQCPLED-QGZVFWFLSA-N 0 0 401.444 3.553 50 5 HHBARN Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000012738568 568926261 /nfs/dbraw/zinc/92/62/61/568926261.db2.gz AVXHWQHLTRBJDG-UHFFFAOYSA-N 0 0 422.510 3.985 50 5 HHBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000001429839 568939624 /nfs/dbraw/zinc/93/96/24/568939624.db2.gz RGELSEUMMGYQOQ-UHFFFAOYSA-N 0 0 407.146 3.520 50 5 HHBARN O=C(NCc1ccccc1Cn1cccn1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012762935 568946636 /nfs/dbraw/zinc/94/66/36/568946636.db2.gz ULXAPPPSSJTVQK-UHFFFAOYSA-N 0 0 415.247 3.532 50 5 HHBARN COc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000015590126 568952045 /nfs/dbraw/zinc/95/20/45/568952045.db2.gz PIEWNKYFVXMEHQ-UHFFFAOYSA-N 0 0 414.458 3.803 50 5 HHBARN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000012771894 568952202 /nfs/dbraw/zinc/95/22/02/568952202.db2.gz OZPWNIIGEVGFMV-UHFFFAOYSA-N 0 0 419.503 3.848 50 5 HHBARN CSc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000012777751 568956002 /nfs/dbraw/zinc/95/60/02/568956002.db2.gz HCGKVFVXTCHPQU-TXEJJXNPSA-N 0 0 422.532 3.635 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000008054274 568970803 /nfs/dbraw/zinc/97/08/03/568970803.db2.gz AFRBACRCJAHADB-UHFFFAOYSA-N 0 0 421.475 3.530 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310418 568988143 /nfs/dbraw/zinc/98/81/43/568988143.db2.gz RNKXMTKRDFAWGN-LJQANCHMSA-N 0 0 411.458 3.840 50 5 HHBARN O=C(Nn1cc([N+](=O)[O-])cn1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000008455242 569003886 /nfs/dbraw/zinc/00/38/86/569003886.db2.gz XFINVNBTHCDDNO-UHFFFAOYSA-N 0 0 417.219 3.517 50 5 HHBARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000012869677 569012469 /nfs/dbraw/zinc/01/24/69/569012469.db2.gz CYTRBIRIAFKZIO-LLVKDONJSA-N 0 0 416.817 3.585 50 5 HHBARN Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Br)cc1 ZINC000012908642 569021622 /nfs/dbraw/zinc/02/16/22/569021622.db2.gz QYNSJDODSKJQJO-UHFFFAOYSA-N 0 0 422.264 3.624 50 5 HHBARN COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000012919641 569022902 /nfs/dbraw/zinc/02/29/02/569022902.db2.gz OIGSWMRWZBQUSD-JTQLQIEISA-N 0 0 423.219 3.550 50 5 HHBARN COc1ccc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c([N+](=O)[O-])c1 ZINC000006184320 569025909 /nfs/dbraw/zinc/02/59/09/569025909.db2.gz BLCBOQLHSIOLAD-UHFFFAOYSA-N 0 0 404.810 3.964 50 5 HHBARN CCNc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000016046313 569028103 /nfs/dbraw/zinc/02/81/03/569028103.db2.gz MFVCISMNINRITA-UHFFFAOYSA-N 0 0 422.279 3.940 50 5 HHBARN O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000006343993 569043739 /nfs/dbraw/zinc/04/37/39/569043739.db2.gz MOPDJWNADUEJMP-UHFFFAOYSA-N 0 0 400.441 3.674 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000026902081 569060076 /nfs/dbraw/zinc/06/00/76/569060076.db2.gz QYNCBQBMZPHCPZ-GOSISDBHSA-N 0 0 413.371 3.608 50 5 HHBARN O=C(NCCNc1nc(-c2ccco2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000006773261 569118533 /nfs/dbraw/zinc/11/85/33/569118533.db2.gz MQUUHIIOFYLQOT-UHFFFAOYSA-N 0 0 403.398 3.640 50 5 HHBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 ZINC000239403238 569233524 /nfs/dbraw/zinc/23/35/24/569233524.db2.gz RQYNFXLABWOWGX-ZNOIYHFQSA-N 0 0 408.410 3.740 50 5 HHBARN Cc1cccc(-c2nc3c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c(=O)n3n2)c1 ZINC000065534886 569234479 /nfs/dbraw/zinc/23/44/79/569234479.db2.gz QLVITDQGTBIIQM-UHFFFAOYSA-N 0 0 411.421 3.976 50 5 HHBARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000007508760 569243646 /nfs/dbraw/zinc/24/36/46/569243646.db2.gz GLEZBLUUQXSDNZ-UHFFFAOYSA-N 0 0 415.409 3.558 50 5 HHBARN CCc1[nH]nc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1[N+](=O)[O-] ZINC000170615952 569247747 /nfs/dbraw/zinc/24/77/47/569247747.db2.gz XBCUVYAJLCNDNI-UHFFFAOYSA-N 0 0 415.413 3.995 50 5 HHBARN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000170625139 569249954 /nfs/dbraw/zinc/24/99/54/569249954.db2.gz ZGLFDXLQIRWRFP-UHFFFAOYSA-N 0 0 405.332 3.727 50 5 HHBARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000009882716 569251419 /nfs/dbraw/zinc/25/14/19/569251419.db2.gz RLFFOFVUAVPAPD-UHFFFAOYSA-N 0 0 415.755 3.978 50 5 HHBARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013576730 569256229 /nfs/dbraw/zinc/25/62/29/569256229.db2.gz UUJHBZLJJCVOOC-CXUHLZMHSA-N 0 0 414.395 3.537 50 5 HHBARN O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc(-c3ccccc3)nn12 ZINC000016735340 569261802 /nfs/dbraw/zinc/26/18/02/569261802.db2.gz DXFYDIBITRIWBX-PDGQHHTCSA-N 0 0 416.418 3.534 50 5 HHBARN COc1cc(C(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)c([N+](=O)[O-])cc1OC ZINC000089893774 569267936 /nfs/dbraw/zinc/26/79/36/569267936.db2.gz ZFVHVJDERSIGPM-UHFFFAOYSA-N 0 0 414.462 3.545 50 5 HHBARN CCc1cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cs1 ZINC000017082674 569272970 /nfs/dbraw/zinc/27/29/70/569272970.db2.gz ZTSRYHWDMOYINX-UHFFFAOYSA-N 0 0 403.489 3.745 50 5 HHBARN O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000002078022 569273225 /nfs/dbraw/zinc/27/32/25/569273225.db2.gz ANRONBAJSBFYFY-UHFFFAOYSA-N 0 0 424.331 3.758 50 5 HHBARN O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000027470143 569323978 /nfs/dbraw/zinc/32/39/78/569323978.db2.gz IUKMUMXMLMMIDM-ZSOIEALJSA-N 0 0 420.162 3.544 50 5 HHBARN Cc1ccc(NC=C2N=C(c3ccccc3Br)OC2=O)c([N+](=O)[O-])c1 ZINC000027499639 569326002 /nfs/dbraw/zinc/32/60/02/569326002.db2.gz HGULIYLCBIWGQI-ZROIWOOFSA-N 0 0 402.204 3.923 50 5 HHBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002365294 569388067 /nfs/dbraw/zinc/38/80/67/569388067.db2.gz NKOMBIHTYZUDSE-UHFFFAOYSA-N 0 0 408.392 3.983 50 5 HHBARN COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC ZINC000009361240 569392516 /nfs/dbraw/zinc/39/25/16/569392516.db2.gz UIUDHCCVSDXBOI-UHFFFAOYSA-N 0 0 415.427 3.996 50 5 HHBARN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000009426142 569392700 /nfs/dbraw/zinc/39/27/00/569392700.db2.gz XEGRCWWOGZKODE-UHFFFAOYSA-N 0 0 407.423 3.658 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000009554194 569393644 /nfs/dbraw/zinc/39/36/44/569393644.db2.gz IKTAOOQPXWPEKL-UHFFFAOYSA-N 0 0 423.800 3.657 50 5 HHBARN COc1ccc2[nH]c(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 ZINC000010059982 569395120 /nfs/dbraw/zinc/39/51/20/569395120.db2.gz QIJZSXUCHNYFRO-UHFFFAOYSA-N 0 0 415.456 3.820 50 5 HHBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(OC)c(OC)c2)c1=O ZINC000002428097 569398748 /nfs/dbraw/zinc/39/87/48/569398748.db2.gz HFZQBGOSPFPEGZ-UHFFFAOYSA-N 0 0 415.453 3.711 50 5 HHBARN Cc1cccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)c1 ZINC000012462797 569401378 /nfs/dbraw/zinc/40/13/78/569401378.db2.gz FZYFPCRJYHKACL-GFCCVEGCSA-N 0 0 418.247 3.657 50 5 HHBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2csc3ccccc23)CC1 ZINC000012792304 569403540 /nfs/dbraw/zinc/40/35/40/569403540.db2.gz JWVLABLMPQQZFN-MRXNPFEDSA-N 0 0 424.526 3.954 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013039187 569407870 /nfs/dbraw/zinc/40/78/70/569407870.db2.gz HDHDCEZGSMTKOU-UHFFFAOYSA-N 0 0 417.487 3.720 50 5 HHBARN COc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC ZINC000008710963 571105195 /nfs/dbraw/zinc/10/51/95/571105195.db2.gz OKLRVTUDOFQZEH-UHFFFAOYSA-N 0 0 413.474 3.778 50 5 HHBARN O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)N1CCCC1=O ZINC000008826010 571122214 /nfs/dbraw/zinc/12/22/14/571122214.db2.gz DUQGUWHUBTXDHK-UHFFFAOYSA-N 0 0 422.466 3.689 50 5 HHBARN Cc1ccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)cs2)cc1 ZINC000039978470 571135688 /nfs/dbraw/zinc/13/56/88/571135688.db2.gz ZSXSIGUQAWAEBN-UHFFFAOYSA-N 0 0 411.439 3.979 50 5 HHBARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008925876 571160051 /nfs/dbraw/zinc/16/00/51/571160051.db2.gz GKJBEWNJZIYMLD-FQEVSTJZSA-N 0 0 418.409 3.515 50 5 HHBARN Cc1c(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cccc1[N+](=O)[O-] ZINC000040116360 571173947 /nfs/dbraw/zinc/17/39/47/571173947.db2.gz YUHPARIUBJURJU-SFHVURJKSA-N 0 0 418.247 3.633 50 5 HHBARN Cc1ccc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])cn1 ZINC000040119621 571175876 /nfs/dbraw/zinc/17/58/76/571175876.db2.gz GSNUPIAPJCPVBU-UHFFFAOYSA-N 0 0 418.519 3.767 50 5 HHBARN Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000040142516 571193378 /nfs/dbraw/zinc/19/33/78/571193378.db2.gz KQAUNYYCEYORCU-JKSUJKDBSA-N 0 0 413.522 3.711 50 5 HHBARN COC(=O)c1ccsc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000040146318 571196176 /nfs/dbraw/zinc/19/61/76/571196176.db2.gz AOUZRTROFMDLNJ-UHFFFAOYSA-N 0 0 403.460 3.932 50 5 HHBARN Cc1ccc(OCc2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n[nH]2)cc1 ZINC000009284703 571245056 /nfs/dbraw/zinc/24/50/56/571245056.db2.gz VIVIJXJPAQYQMH-UHFFFAOYSA-N 0 0 424.442 3.943 50 5 HHBARN Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])n1 ZINC000009442238 571259325 /nfs/dbraw/zinc/25/93/25/571259325.db2.gz WLNOJEDZGVTGID-UHFFFAOYSA-N 0 0 414.468 3.862 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1ccc2c(c1)OCO2 ZINC000009462440 571260754 /nfs/dbraw/zinc/26/07/54/571260754.db2.gz BKZDCSLJYLBZTA-UHFFFAOYSA-N 0 0 420.443 3.681 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000009592474 571272006 /nfs/dbraw/zinc/27/20/06/571272006.db2.gz KDCSELQGKUDJDL-UHFFFAOYSA-N 0 0 417.219 3.626 50 5 HHBARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000009715226 571281608 /nfs/dbraw/zinc/28/16/08/571281608.db2.gz WKRAEAUMKBUGHZ-UHFFFAOYSA-N 0 0 421.656 3.820 50 5 HHBARN COc1cc(OC)c([C@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005068555 960646815 /nfs/dbraw/zinc/64/68/15/960646815.db2.gz VMPVFWVXSXMDPW-LJQANCHMSA-N 0 0 404.444 3.508 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)c1C ZINC000006558055 960926187 /nfs/dbraw/zinc/92/61/87/960926187.db2.gz QQMDAFLVYJQBGG-ZRDIBKRKSA-N 0 0 405.410 3.955 50 5 HHBARN COc1cc(/C=C/C(=O)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000010924691 961949953 /nfs/dbraw/zinc/94/99/53/961949953.db2.gz QCGXSDYZDSWPPC-NSCUHMNNSA-N 0 0 410.398 3.864 50 5 HHBARN CN(C[C@H](O)C(F)(F)F)C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000095993485 969041187 /nfs/dbraw/zinc/04/11/87/969041187.db2.gz NSWZUECDLACOKR-HEWZJLJBSA-N 0 0 400.378 3.718 50 5 HHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000097002954 969077831 /nfs/dbraw/zinc/07/78/31/969077831.db2.gz GVBUWJKEEFZIQH-QXMHVHEDSA-N 0 0 415.449 3.746 50 5 HHBARN Cc1cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000001055631 132235892 /nfs/dbraw/zinc/23/58/92/132235892.db2.gz LWLXCJAKPNKHTR-UHFFFAOYSA-N 0 0 423.391 3.650 50 5 HHBARN Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000004306146 132274833 /nfs/dbraw/zinc/27/48/33/132274833.db2.gz VKAIUNPRNDLQAE-UHFFFAOYSA-N 0 0 408.462 3.631 50 5 HHBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000004333847 132275668 /nfs/dbraw/zinc/27/56/68/132275668.db2.gz DHXLZUAPIWECKL-UHFFFAOYSA-N 0 0 408.502 3.856 50 5 HHBARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4C)CC3)ccc2[N+](=O)[O-])n1 ZINC000004571227 132278916 /nfs/dbraw/zinc/27/89/16/132278916.db2.gz GLOSBYOJPSLHJI-UHFFFAOYSA-N 0 0 419.485 3.668 50 5 HHBARN C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000004687578 132283275 /nfs/dbraw/zinc/28/32/75/132283275.db2.gz HCYGPGVBZBCHSY-LRYXAPPNSA-N 0 0 413.518 3.766 50 5 HHBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000004687938 132283471 /nfs/dbraw/zinc/28/34/71/132283471.db2.gz RCYWGFOJTXNSGY-UHFFFAOYSA-N 0 0 409.364 3.585 50 5 HHBARN C[C@@H]1C[C@@H](C)CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 ZINC000005186561 132303655 /nfs/dbraw/zinc/30/36/55/132303655.db2.gz RLDAPFNEUZJIIG-IAGOWNOFSA-N 0 0 424.549 3.908 50 5 HHBARN C[C@H](c1ccco1)N(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000009090852 132335685 /nfs/dbraw/zinc/33/56/85/132335685.db2.gz MDMDZGQSMQCCTE-MRXNPFEDSA-N 0 0 422.441 3.827 50 5 HHBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Br)cc3)CC2)cc1 ZINC000009601656 132341513 /nfs/dbraw/zinc/34/15/13/132341513.db2.gz IXXOGLGLAVCALQ-UHFFFAOYSA-N 0 0 421.320 3.876 50 5 HHBARN CCN1C[C@@H](CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000009933173 132344195 /nfs/dbraw/zinc/34/41/95/132344195.db2.gz CHEMWPAOJZZSSB-OAHLLOKOSA-N 0 0 401.488 3.676 50 5 HHBARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000010728220 132346409 /nfs/dbraw/zinc/34/64/09/132346409.db2.gz OBZOQNQXMQNNMB-UHFFFAOYSA-N 0 0 424.409 3.754 50 5 HHBARN O=C(c1csc(-c2ccco2)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012546210 132362953 /nfs/dbraw/zinc/36/29/53/132362953.db2.gz NMIAQCFZIOJLLC-UHFFFAOYSA-N 0 0 418.862 3.927 50 5 HHBARN CN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000020230197 522886793 /nfs/dbraw/zinc/88/67/93/522886793.db2.gz IGABSDLGQMGFQF-UHFFFAOYSA-N 0 0 403.744 3.955 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000031961058 523754042 /nfs/dbraw/zinc/75/40/42/523754042.db2.gz CUQYTNIYYGJQGR-UHFFFAOYSA-N 0 0 404.444 3.572 50 5 HHBARN Cc1ccc(NC(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 ZINC000032911830 525105825 /nfs/dbraw/zinc/10/58/25/525105825.db2.gz PZGSQUVUPYZLHW-UHFFFAOYSA-N 0 0 416.235 3.563 50 5 HHBARN Cc1nn(CC(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c(C)c1[N+](=O)[O-] ZINC000021908102 526269285 /nfs/dbraw/zinc/26/92/85/526269285.db2.gz HBDFYEDPLHPOQC-UHFFFAOYSA-N 0 0 400.464 3.689 50 5 HHBARN Cc1csc(Sc2ccc(C(=O)OCC(=O)NCCC(C)C)cc2[N+](=O)[O-])n1 ZINC000009507286 526398849 /nfs/dbraw/zinc/39/88/49/526398849.db2.gz BVSKABRPMKQVGG-UHFFFAOYSA-N 0 0 423.516 3.830 50 5 HHBARN O=c1c2cc3c(ccn(-c4cccc(Cl)c4)c3=O)nc2ccn1Cc1ccco1 ZINC000032071143 527461584 /nfs/dbraw/zinc/46/15/84/527461584.db2.gz KACSNECLHJYTHH-UHFFFAOYSA-N 0 0 403.825 3.995 50 5 HHBARN COCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004660639 536586792 /nfs/dbraw/zinc/58/67/92/536586792.db2.gz CUVYFLUDQQHXOZ-UHFFFAOYSA-N 0 0 411.502 3.820 50 5 HHBARN O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(NCCCO)nn12 ZINC000001801671 557289410 /nfs/dbraw/zinc/28/94/10/557289410.db2.gz OIPLDVCEHYOXPW-UHFFFAOYSA-N 0 0 402.479 3.919 50 5 HHBARN CCOc1ccc(-c2nc(NC(C)=O)c3c(=O)oc4c(OC)cccc4c3n2)cc1 ZINC000002873552 557415732 /nfs/dbraw/zinc/41/57/32/557415732.db2.gz GXKPQEVHARYSSH-UHFFFAOYSA-N 0 0 405.410 3.769 50 5 HHBARN COCCNc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000010546602 557439122 /nfs/dbraw/zinc/43/91/22/557439122.db2.gz BIXODRRCWFOVLO-MRXNPFEDSA-N 0 0 423.473 3.549 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)c2ncccc12 ZINC000097380117 557771658 /nfs/dbraw/zinc/77/16/58/557771658.db2.gz SCSLZZZBYKSHFG-INIZCTEOSA-N 0 0 401.419 3.808 50 5 HHBARN Cc1ccc(N(CCCCO)C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000008410450 557786955 /nfs/dbraw/zinc/78/69/55/557786955.db2.gz LQMTWKNGIYGXCU-UHFFFAOYSA-N 0 0 401.488 3.505 50 5 HHBARN Cc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022906608 557852509 /nfs/dbraw/zinc/85/25/09/557852509.db2.gz BDNWIBOFNUJWOU-QHCPKHFHSA-N 0 0 416.481 3.828 50 5 HHBARN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1)c1ccccc1 ZINC000072056874 558442664 /nfs/dbraw/zinc/44/26/64/558442664.db2.gz PXTQMZLJEFLRNU-HXUWFJFHSA-N 0 0 409.486 3.818 50 5 HHBARN CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000010922296 558570164 /nfs/dbraw/zinc/57/01/64/558570164.db2.gz QQRULDWXZWLKRB-KRWDZBQOSA-N 0 0 421.906 3.649 50 5 HHBARN O=C1NC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccccc1 ZINC000004457095 558593177 /nfs/dbraw/zinc/59/31/77/558593177.db2.gz YZWHDDMGOCBTOI-LDADJPATSA-N 0 0 402.366 3.879 50 5 HHBARN O=C(NCCOc1cccc(Br)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000059851605 558599038 /nfs/dbraw/zinc/59/90/38/558599038.db2.gz HGQOXISDWRJPJR-UHFFFAOYSA-N 0 0 420.263 3.740 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1ccco1)N1CCCC1 ZINC000024828881 558614042 /nfs/dbraw/zinc/61/40/42/558614042.db2.gz ZTKHTQBQKCUGBU-JOCHJYFZSA-N 0 0 415.493 3.701 50 5 HHBARN O=c1[nH]c(SCc2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000010613178 558795867 /nfs/dbraw/zinc/79/58/67/558795867.db2.gz WNCCNSPMZWUAGI-UHFFFAOYSA-N 0 0 413.846 3.963 50 5 HHBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000013496213 558809244 /nfs/dbraw/zinc/80/92/44/558809244.db2.gz NIQRXIJVYCCVGB-QZTJIDSGSA-N 0 0 409.417 3.844 50 5 HHBARN CCCC[C@@H](CC)CNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O ZINC000004603633 558847221 /nfs/dbraw/zinc/84/72/21/558847221.db2.gz GVMYTNRWXPBXAH-OXQOHEQNSA-N 0 0 413.474 3.513 50 5 HHBARN Cc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000072328746 558864241 /nfs/dbraw/zinc/86/42/41/558864241.db2.gz SOOFVXZPJOCOTO-UHFFFAOYSA-N 0 0 405.458 3.564 50 5 HHBARN COc1ccc(CNc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004683709 558894664 /nfs/dbraw/zinc/89/46/64/558894664.db2.gz YDLQPNUUCVYUEG-ROUUACIJSA-N 0 0 409.442 3.895 50 5 HHBARN O=C(NC1CCCCC1)c1cc(C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004693876 558900846 /nfs/dbraw/zinc/90/08/46/558900846.db2.gz OCTFPNSDJJMTJL-UHFFFAOYSA-N 0 0 418.450 3.628 50 5 HHBARN O=C(NC(=S)Nc1cccnc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000013946218 558984979 /nfs/dbraw/zinc/98/49/79/558984979.db2.gz ULXAEVJNJGAOMW-UHFFFAOYSA-N 0 0 419.894 3.760 50 5 HHBARN COC(=O)C(C)(C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000023152384 559021383 /nfs/dbraw/zinc/02/13/83/559021383.db2.gz OHCWTSMIUZOSPZ-UHFFFAOYSA-N 0 0 422.821 3.731 50 5 HHBARN CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004740948 559043656 /nfs/dbraw/zinc/04/36/56/559043656.db2.gz BAIAJUIHHZKYOQ-UHFFFAOYSA-N 0 0 415.874 3.804 50 5 HHBARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)s2)c([N+](=O)[O-])c1 ZINC000004744649 559046475 /nfs/dbraw/zinc/04/64/75/559046475.db2.gz VDPQSDYLNVYUEE-UHFFFAOYSA-N 0 0 401.473 3.856 50 5 HHBARN COc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000004846304 559186858 /nfs/dbraw/zinc/18/68/58/559186858.db2.gz YTBFFKSCUPBFQR-UHFFFAOYSA-N 0 0 400.431 3.588 50 5 HHBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004873713 559194073 /nfs/dbraw/zinc/19/40/73/559194073.db2.gz CTAWXXYGKIIMAC-UHFFFAOYSA-N 0 0 402.194 3.734 50 5 HHBARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C ZINC000004873950 559194890 /nfs/dbraw/zinc/19/48/90/559194890.db2.gz PEJLDOZRTGDADJ-UHFFFAOYSA-N 0 0 410.478 3.689 50 5 HHBARN Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1F ZINC000004882263 559197175 /nfs/dbraw/zinc/19/71/75/559197175.db2.gz WJTICFCIPDBLNE-UHFFFAOYSA-N 0 0 411.414 3.618 50 5 HHBARN COc1cccc(-n2c(CN3CCC(C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000004917654 559204450 /nfs/dbraw/zinc/20/44/50/559204450.db2.gz FIFZOEHDHFEQRA-UHFFFAOYSA-N 0 0 408.458 3.534 50 5 HHBARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004954268 559216088 /nfs/dbraw/zinc/21/60/88/559216088.db2.gz FYHKYMYJSFEVJX-GFCCVEGCSA-N 0 0 412.427 3.967 50 5 HHBARN COc1cc2nc(SCc3ccc([N+](=O)[O-])cc3)n3nc(C)nc3c2cc1OC ZINC000005005769 559226572 /nfs/dbraw/zinc/22/65/72/559226572.db2.gz AIUIOYQIRYLTOX-UHFFFAOYSA-N 0 0 411.443 3.804 50 5 HHBARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005046956 559236697 /nfs/dbraw/zinc/23/66/97/559236697.db2.gz GDDGOEYUYCXCEQ-UHFFFAOYSA-N 0 0 416.825 3.761 50 5 HHBARN COc1ccc2c3ccc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc3oc(=O)c2c1 ZINC000002092185 560559054 /nfs/dbraw/zinc/55/90/54/560559054.db2.gz XGFYDOLYQKTPRK-LBPRGKRZSA-N 0 0 413.426 3.773 50 5 biogenic HHBARN COc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc(C)c2[N+](=O)[O-])cc1 ZINC000005276878 560561651 /nfs/dbraw/zinc/56/16/51/560561651.db2.gz BGWXBMKIPBGHKX-UHFFFAOYSA-N 0 0 420.473 3.772 50 5 HHBARN COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc([N+](=O)[O-])c1 ZINC000005559039 560615003 /nfs/dbraw/zinc/61/50/03/560615003.db2.gz XGJONQRNSWVJJR-UHFFFAOYSA-N 0 0 413.411 3.766 50 5 HHBARN O=C(NCCc1nc2ccccc2[nH]1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000017368228 560711267 /nfs/dbraw/zinc/71/12/67/560711267.db2.gz KMRBGXPANPRVGI-UHFFFAOYSA-N 0 0 407.474 3.824 50 5 HHBARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000024395834 560772278 /nfs/dbraw/zinc/77/22/78/560772278.db2.gz NYJHRFMCTJJPDK-UHFFFAOYSA-N 0 0 407.474 3.690 50 5 HHBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102748789 560824420 /nfs/dbraw/zinc/82/44/20/560824420.db2.gz KLSOIPVTUNNHBD-PWRODBHTSA-N 0 0 415.405 3.646 50 5 HHBARN COc1cccc(CCNc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])c1 ZINC000102783656 560827432 /nfs/dbraw/zinc/82/74/32/560827432.db2.gz KLTLZOMTTJXTCQ-OALUTQOASA-N 0 0 421.453 3.714 50 5 HHBARN COc1ccc(N2N=C(c3ccccc3)[C@H](C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000103038267 560836980 /nfs/dbraw/zinc/83/69/80/560836980.db2.gz DZAIOWNZBIVIGO-HXUWFJFHSA-N 0 0 415.405 3.853 50 5 HHBARN CCOC(=O)C(=CNc1ccc(F)c(Cl)c1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005716313 560840689 /nfs/dbraw/zinc/84/06/89/560840689.db2.gz LWUYDUVALWNOHV-YBEGLDIGSA-N 0 0 407.785 3.634 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000103561282 560843267 /nfs/dbraw/zinc/84/32/67/560843267.db2.gz JVJIELLRMWCJEJ-HOCLYGCPSA-N 0 0 420.208 3.503 50 5 HHBARN C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000105721664 560877058 /nfs/dbraw/zinc/87/70/58/560877058.db2.gz GBSUAXYGOLFQOM-BRWVUGGUSA-N 0 0 412.490 3.566 50 5 HHBARN O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005754339 568421449 /nfs/dbraw/zinc/42/14/49/568421449.db2.gz KFNBWIDPYOFAIP-UHFFFAOYSA-N 0 0 400.774 3.903 50 5 HHBARN Cc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000046020681 568424112 /nfs/dbraw/zinc/42/41/12/568424112.db2.gz XFBMCGNPEWQIIY-UHFFFAOYSA-N 0 0 416.441 3.805 50 5 HHBARN CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000024834562 568469856 /nfs/dbraw/zinc/46/98/56/568469856.db2.gz CBOFHHRWPFLWGX-UHFFFAOYSA-N 0 0 415.877 3.970 50 5 HHBARN COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000024931585 568491441 /nfs/dbraw/zinc/49/14/41/568491441.db2.gz VWCRRHBXQQASMQ-SFHVURJKSA-N 0 0 406.442 3.656 50 5 HHBARN CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCc2ccccc2)=C1C ZINC000000844376 568530883 /nfs/dbraw/zinc/53/08/83/568530883.db2.gz UVZRXCFIJZQORU-HXUWFJFHSA-N 0 0 409.442 3.741 50 5 HHBARN COc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)c([N+](=O)[O-])c1 ZINC000020788748 568643776 /nfs/dbraw/zinc/64/37/76/568643776.db2.gz VILAQCMAXYXWEW-UHFFFAOYSA-N 0 0 415.456 3.592 50 5 HHBARN COc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000021104317 568666750 /nfs/dbraw/zinc/66/67/50/568666750.db2.gz JWHQQZGWKDBMDQ-FQEVSTJZSA-N 0 0 408.389 3.904 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1 ZINC000021104363 568666824 /nfs/dbraw/zinc/66/68/24/568666824.db2.gz DGCTVPKXHYKJCW-HXUWFJFHSA-N 0 0 408.389 3.904 50 5 HHBARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000021106347 568667307 /nfs/dbraw/zinc/66/73/07/568667307.db2.gz VRPINONLUBWVLW-HXUWFJFHSA-N 0 0 406.398 3.778 50 5 HHBARN CCn1nc(C)cc1C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] ZINC000096013373 568685209 /nfs/dbraw/zinc/68/52/09/568685209.db2.gz PSDGMDWBHGJYIB-HNNXBMFYSA-N 0 0 410.268 3.927 50 5 HHBARN CS(=O)(=O)c1ccc(C(=O)OCc2cc3ccccc3nc2Cl)cc1[N+](=O)[O-] ZINC000021311415 568687237 /nfs/dbraw/zinc/68/72/37/568687237.db2.gz JZNWYXVDECHVKJ-UHFFFAOYSA-N 0 0 420.830 3.557 50 5 HHBARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000867177 568713674 /nfs/dbraw/zinc/71/36/74/568713674.db2.gz GWVGVWGCMVFPIA-KRWDZBQOSA-N 0 0 416.821 3.523 50 5 HHBARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccco1 ZINC000096275762 568714525 /nfs/dbraw/zinc/71/45/25/568714525.db2.gz CZOITTUBNNOXHG-QGZVFWFLSA-N 0 0 404.382 3.952 50 5 HHBARN CSc1nc(C)c(CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)n1 ZINC000025044002 568736872 /nfs/dbraw/zinc/73/68/72/568736872.db2.gz OUQGKEXTBJPWDW-UHFFFAOYSA-N 0 0 408.911 3.968 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000000912861 568749976 /nfs/dbraw/zinc/74/99/76/568749976.db2.gz BFXOLCSVPUZNHY-UHFFFAOYSA-N 0 0 415.402 3.787 50 5 HHBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000001120999 568771183 /nfs/dbraw/zinc/77/11/83/568771183.db2.gz ORFIAODUXZZEPW-UHFFFAOYSA-N 0 0 400.460 3.625 50 5 HHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605079 568771537 /nfs/dbraw/zinc/77/15/37/568771537.db2.gz SZSMEFSTGNCMMR-UHFFFAOYSA-N 0 0 408.483 3.676 50 5 HHBARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 ZINC000002478064 568774208 /nfs/dbraw/zinc/77/42/08/568774208.db2.gz JYYQLROZQSGCPH-MRXNPFEDSA-N 0 0 405.391 3.908 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001158013 568774451 /nfs/dbraw/zinc/77/44/51/568774451.db2.gz QNOGYNUQPXHPIG-KRWDZBQOSA-N 0 0 400.822 3.823 50 5 HHBARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000001165693 568775692 /nfs/dbraw/zinc/77/56/92/568775692.db2.gz LYNWMKKYVHGYTF-DEOSSOPVSA-N 0 0 416.433 3.645 50 5 HHBARN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@](O)(c2ccccc2)CC1 ZINC000225812016 568782232 /nfs/dbraw/zinc/78/22/32/568782232.db2.gz IRPNBQBWSKIMTB-HXUWFJFHSA-N 0 0 404.850 3.913 50 5 HHBARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002622036 568787980 /nfs/dbraw/zinc/78/79/80/568787980.db2.gz IODHVIRYGDCPEV-UHFFFAOYSA-N 0 0 419.463 3.928 50 5 HHBARN COc1ccc(OC)c(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000002796573 568809721 /nfs/dbraw/zinc/80/97/21/568809721.db2.gz PZINQSJJGRUBLR-UHFFFAOYSA-N 0 0 410.430 3.726 50 5 HHBARN Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000002831876 568812450 /nfs/dbraw/zinc/81/24/50/568812450.db2.gz RIQZHTOJNVJFLQ-UHFFFAOYSA-N 0 0 424.438 3.875 50 5 HHBARN Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002851590 568813022 /nfs/dbraw/zinc/81/30/22/568813022.db2.gz PMXFNSNUBYVKJB-UHFFFAOYSA-N 0 0 405.764 3.984 50 5 HHBARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000001187121 568821838 /nfs/dbraw/zinc/82/18/38/568821838.db2.gz JIRKTXRPWUCSBB-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000057024329 568823339 /nfs/dbraw/zinc/82/33/39/568823339.db2.gz BCPKDNHGDSTMGR-ZDUSSCGKSA-N 0 0 406.845 3.537 50 5 HHBARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001218146 568824877 /nfs/dbraw/zinc/82/48/77/568824877.db2.gz QMDSURCEVKEOBB-KRWDZBQOSA-N 0 0 400.822 3.823 50 5 HHBARN O=C1OC(c2ccccc2I)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000001894278 568839907 /nfs/dbraw/zinc/83/99/07/568839907.db2.gz MJMYSZATJSUNEV-NTEUORMPSA-N 0 0 420.162 3.544 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1ccc(Cl)cc1 ZINC000012523083 568842129 /nfs/dbraw/zinc/84/21/29/568842129.db2.gz BMDGPOQROXHLSG-NRFANRHFSA-N 0 0 406.869 3.658 50 5 HHBARN O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000057571675 568854070 /nfs/dbraw/zinc/85/40/70/568854070.db2.gz VTDKILJQXUWDDH-UHFFFAOYSA-N 0 0 405.454 3.512 50 5 HHBARN O=[N+]([O-])c1c(Br)cc(Br)c([N+](=O)[O-])c1Br ZINC000003123325 568856716 /nfs/dbraw/zinc/85/67/16/568856716.db2.gz XFVVPWNDDKXOKG-UHFFFAOYSA-N 0 0 404.796 3.791 50 5 HHBARN CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000003196378 568861044 /nfs/dbraw/zinc/86/10/44/568861044.db2.gz ZFXXVANNWQDEFE-UHFFFAOYSA-N 0 0 414.373 3.829 50 5 HHBARN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000012586972 568867404 /nfs/dbraw/zinc/86/74/04/568867404.db2.gz GVOZNSCMRFKPIM-LBPRGKRZSA-N 0 0 407.268 3.830 50 5 HHBARN O=C(Nc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000012589481 568867865 /nfs/dbraw/zinc/86/78/65/568867865.db2.gz CWRZFOOMGYGUSW-UHFFFAOYSA-N 0 0 410.455 3.751 50 5 HHBARN COC(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc([N+](=O)[O-])c1 ZINC000012614466 568871817 /nfs/dbraw/zinc/87/18/17/568871817.db2.gz QAMLVJVUVKYPHI-UHFFFAOYSA-N 0 0 411.439 3.743 50 5 HHBARN Cc1ccc([C@](O)(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)o1 ZINC000030597595 568873636 /nfs/dbraw/zinc/87/36/36/568873636.db2.gz XRFVYMAAEXOIOA-OAHLLOKOSA-N 0 0 406.744 3.720 50 5 HHBARN COC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000001233025 568881010 /nfs/dbraw/zinc/88/10/10/568881010.db2.gz PFRRHEGSSRMFEY-UHFFFAOYSA-N 0 0 418.361 3.974 50 5 HHBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000003441565 568903828 /nfs/dbraw/zinc/90/38/28/568903828.db2.gz BYTBGQRDXBTBHF-UHFFFAOYSA-N 0 0 419.865 3.813 50 5 HHBARN COc1ccc(C)cc1C1(CNc2nc3sccn3c2[N+](=O)[O-])CCOCC1 ZINC000058394126 568916028 /nfs/dbraw/zinc/91/60/28/568916028.db2.gz ZQFLWJBZPYHYCV-UHFFFAOYSA-N 0 0 402.476 3.781 50 5 HHBARN O=[N+]([O-])c1cccnc1-n1cnc(Sc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000001393324 568925064 /nfs/dbraw/zinc/92/50/64/568925064.db2.gz DQLNZPOOVMFSME-UHFFFAOYSA-N 0 0 402.745 3.789 50 5 HHBARN Cc1c([C@@H](C)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000031563015 568928348 /nfs/dbraw/zinc/92/83/48/568928348.db2.gz PVAGEJLTDIRXGC-OAHLLOKOSA-N 0 0 407.474 3.954 50 5 HHBARN COc1ccc(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000229532418 568950282 /nfs/dbraw/zinc/95/02/82/568950282.db2.gz PUEVFUWZZZORGM-ORAYPTAESA-N 0 0 419.865 3.657 50 5 HHBARN Cc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1[N+](=O)[O-] ZINC000015629561 568956486 /nfs/dbraw/zinc/95/64/86/568956486.db2.gz XGEMSLWNSVKTNP-UHFFFAOYSA-N 0 0 406.442 3.982 50 5 HHBARN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000084770973 568958667 /nfs/dbraw/zinc/95/86/67/568958667.db2.gz PGJODSLOKUIUQK-CYBMUJFWSA-N 0 0 424.461 3.836 50 5 HHBARN C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007988189 568965514 /nfs/dbraw/zinc/96/55/14/568965514.db2.gz HURHZYSTBWSHAR-LURJTMIESA-N 0 0 409.777 3.515 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000242648996 568968685 /nfs/dbraw/zinc/96/86/85/568968685.db2.gz RPWSJKLCGWGNKM-UHFFFAOYSA-N 0 0 401.378 3.643 50 5 HHBARN Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000026002908 568990917 /nfs/dbraw/zinc/99/09/17/568990917.db2.gz IWDKHONEQWSYPX-UHFFFAOYSA-N 0 0 418.475 3.905 50 5 HHBARN Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000038488507 568997521 /nfs/dbraw/zinc/99/75/21/568997521.db2.gz AWWNZDUPTWWSFO-UHFFFAOYSA-N 0 0 404.474 3.632 50 5 HHBARN CNC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccc(C)cc1 ZINC000001512854 569007614 /nfs/dbraw/zinc/00/76/14/569007614.db2.gz UBXVKHUTDABIRK-CPNJWEJPSA-N 0 0 405.410 3.680 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012879383 569014243 /nfs/dbraw/zinc/01/42/43/569014243.db2.gz YKIDKPRGMJDBFT-KRWDZBQOSA-N 0 0 410.474 3.501 50 5 HHBARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000015881994 569018925 /nfs/dbraw/zinc/01/89/25/569018925.db2.gz VZDBUJNVNUJYQH-GOSISDBHSA-N 0 0 416.480 3.601 50 5 HHBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000012908654 569021625 /nfs/dbraw/zinc/02/16/25/569021625.db2.gz HMLLIXMGUXGAFD-UHFFFAOYSA-N 0 0 404.260 3.922 50 5 HHBARN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000026599482 569041835 /nfs/dbraw/zinc/04/18/35/569041835.db2.gz KSGAEXZMTZETIA-QGZVFWFLSA-N 0 0 407.474 3.832 50 5 HHBARN COC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 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ZINC000061187301 559223204 /nfs/dbraw/zinc/22/32/04/559223204.db2.gz HQHMZGPTUPHNDU-UHFFFAOYSA-N 0 0 404.430 3.682 50 5 HHBARN CCCCC(=O)N1CCN(c2cc(N3CCCC[C@H]3C)c(F)cc2[N+](=O)[O-])CC1 ZINC000004998253 559225267 /nfs/dbraw/zinc/22/52/67/559225267.db2.gz RIUTWNHTYWPRHP-MRXNPFEDSA-N 0 0 406.502 3.952 50 5 HHBARN Cc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1Cl ZINC000005054869 559237463 /nfs/dbraw/zinc/23/74/63/559237463.db2.gz RZDWGMDTZXXGPS-UHFFFAOYSA-N 0 0 413.817 3.599 50 5 HHBARN COc1ccc2c(CC(=O)OCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])coc2c1 ZINC000005185008 559290612 /nfs/dbraw/zinc/29/06/12/559290612.db2.gz OESHORBLLAYHSH-UHFFFAOYSA-N 0 0 412.398 3.691 50 5 HHBARN CCNc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000005656157 560636851 /nfs/dbraw/zinc/63/68/51/560636851.db2.gz OGPRVACUUNOEFJ-UHFFFAOYSA-N 0 0 413.217 3.524 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000017200641 560704362 /nfs/dbraw/zinc/70/43/62/560704362.db2.gz BCVLVWDKKFPAMO-UHFFFAOYSA-N 0 0 423.450 3.599 50 5 HHBARN CCOCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)CCOc1ccccc1 ZINC000100873551 560761425 /nfs/dbraw/zinc/76/14/25/560761425.db2.gz IUSKVSNRSUFKIB-MRCUWXFGSA-N 0 0 415.471 3.544 50 5 HHBARN Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c([N+](=O)[O-])c1 ZINC000101141544 560788400 /nfs/dbraw/zinc/78/84/00/560788400.db2.gz KFRNIUBDBYAPPS-UHFFFAOYSA-N 0 0 422.309 3.673 50 5 HHBARN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCCCC1 ZINC000024493351 560840373 /nfs/dbraw/zinc/84/03/73/560840373.db2.gz SIFNJBUJVFDYIK-UHFFFAOYSA-N 0 0 406.483 3.525 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000103561290 560843278 /nfs/dbraw/zinc/84/32/78/560843278.db2.gz JVJIELLRMWCJEJ-GOEBONIOSA-N 0 0 420.208 3.503 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1ON(C)C(=O)N1c1ccc(Cl)cc1 ZINC000005724930 560854159 /nfs/dbraw/zinc/85/41/59/560854159.db2.gz OGRJEWQGRHQDMH-KRWDZBQOSA-N 0 0 404.810 3.715 50 5 HHBARN CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000012140460 560890261 /nfs/dbraw/zinc/89/02/61/560890261.db2.gz WRBHDTBRRDSKFX-UHFFFAOYSA-N 0 0 423.454 3.741 50 5 HHBARN COc1ccc(Br)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048290253 568435056 /nfs/dbraw/zinc/43/50/56/568435056.db2.gz VVFQEXBMOWVHIQ-UHFFFAOYSA-N 0 0 417.219 3.804 50 5 HHBARN COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1[N+](=O)[O-] ZINC000000711940 568464784 /nfs/dbraw/zinc/46/47/84/568464784.db2.gz IQPJQGYEHMKTEQ-QPEQYQDCSA-N 0 0 403.188 3.710 50 5 HHBARN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000712393 568464808 /nfs/dbraw/zinc/46/48/08/568464808.db2.gz WMMGUUXJPBEGEQ-QGZVFWFLSA-N 0 0 418.405 3.527 50 5 HHBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1 ZINC000007344656 568479217 /nfs/dbraw/zinc/47/92/17/568479217.db2.gz WPHAKZHJTUKIBU-UHFFFAOYSA-N 0 0 403.438 3.944 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 ZINC000000845686 568548547 /nfs/dbraw/zinc/54/85/47/568548547.db2.gz WUQBMXBDGUAPQJ-MRXNPFEDSA-N 0 0 402.863 3.680 50 5 HHBARN COc1ccc(-c2ccc(CN3CCN(Cc4cccnc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000095468617 568625224 /nfs/dbraw/zinc/62/52/24/568625224.db2.gz PAAOKMIRMGTMAK-UHFFFAOYSA-N 0 0 408.458 3.576 50 5 HHBARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000020649700 568639301 /nfs/dbraw/zinc/63/93/01/568639301.db2.gz YIZZAJDFTTXXGW-LBPRGKRZSA-N 0 0 410.352 3.744 50 5 HHBARN Cc1ccc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000021070732 568661183 /nfs/dbraw/zinc/66/11/83/568661183.db2.gz ZTXJMUXHLCJKMD-UHFFFAOYSA-N 0 0 409.486 3.504 50 5 HHBARN COCc1nnc(-c2cccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)o1 ZINC000095988943 568677330 /nfs/dbraw/zinc/67/73/30/568677330.db2.gz GUPOANSAFLDQRR-UHFFFAOYSA-N 0 0 408.414 3.596 50 5 HHBARN Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n(C[C@H]2CCCO2)c1C ZINC000021567933 568715577 /nfs/dbraw/zinc/71/55/77/568715577.db2.gz LJODGCBKWFYQJC-CQSZACIVSA-N 0 0 424.910 3.971 50 5 HHBARN COc1ccc(C(=O)N(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1 ZINC000096277278 568715827 /nfs/dbraw/zinc/71/58/27/568715827.db2.gz GXBFAZCFUWOCLY-UHFFFAOYSA-N 0 0 410.430 3.747 50 5 HHBARN O=C(c1ccco1)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccco1 ZINC000096277529 568716203 /nfs/dbraw/zinc/71/62/03/568716203.db2.gz UEWVCGWNGGFBMY-UHFFFAOYSA-N 0 0 408.370 3.716 50 5 HHBARN O=[N+]([O-])c1cccc(-c2nc(Sc3ncnc4c3cnn4-c3ccccc3)n[nH]2)c1 ZINC000096572276 568761365 /nfs/dbraw/zinc/76/13/65/568761365.db2.gz FKBCTZWNRRDXFW-UHFFFAOYSA-N 0 0 416.426 3.660 50 5 HHBARN Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000001106739 568768591 /nfs/dbraw/zinc/76/85/91/568768591.db2.gz DXXWWQDPNDJOAK-OVCLIPMQSA-N 0 0 416.231 3.759 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(COc2ccccc2C)n1C ZINC000001143391 568772254 /nfs/dbraw/zinc/77/22/54/568772254.db2.gz IRIHSIDOOSEACJ-UHFFFAOYSA-N 0 0 400.460 3.912 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C ZINC000001143583 568772301 /nfs/dbraw/zinc/77/23/01/568772301.db2.gz RLGHVXVGTVYKOB-UHFFFAOYSA-N 0 0 413.459 3.650 50 5 HHBARN O=C(NCc1ccco1)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000001134932 568773259 /nfs/dbraw/zinc/77/32/59/568773259.db2.gz RQYUBEBZZJTYNY-UHFFFAOYSA-N 0 0 411.439 3.920 50 5 HHBARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000001156887 568774438 /nfs/dbraw/zinc/77/44/38/568774438.db2.gz XEFDPJFZWHQWKC-MRXNPFEDSA-N 0 0 422.775 3.793 50 5 HHBARN CSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 ZINC000001168946 568775354 /nfs/dbraw/zinc/77/53/54/568775354.db2.gz OEPQNMNHXDFSCK-SFHVURJKSA-N 0 0 409.427 3.613 50 5 HHBARN CCOc1ccc(C(=O)Nc2ccccc2I)cc1[N+](=O)[O-] ZINC000001167646 568775480 /nfs/dbraw/zinc/77/54/80/568775480.db2.gz OZZAATNXJQJIJV-UHFFFAOYSA-N 0 0 412.183 3.850 50 5 HHBARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000001165694 568775751 /nfs/dbraw/zinc/77/57/51/568775751.db2.gz LYNWMKKYVHGYTF-XMMPIXPASA-N 0 0 416.433 3.645 50 5 HHBARN CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000028430772 568784871 /nfs/dbraw/zinc/78/48/71/568784871.db2.gz OCVPWOGPWKTDCX-UHFFFAOYSA-N 0 0 414.461 3.585 50 5 HHBARN Cc1cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1Cc1cccs1 ZINC000002661947 568799368 /nfs/dbraw/zinc/79/93/68/568799368.db2.gz RMVHKTZAIDYHHW-UHFFFAOYSA-N 0 0 423.450 3.602 50 5 HHBARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000002733534 568805324 /nfs/dbraw/zinc/80/53/24/568805324.db2.gz WMNNNIASAVYOHF-UHFFFAOYSA-N 0 0 405.414 3.845 50 5 HHBARN CCN(CC)C(=O)c1sc2ncn3nc(-c4ccccc4[N+](=O)[O-])nc3c2c1C ZINC000002793620 568810367 /nfs/dbraw/zinc/81/03/67/568810367.db2.gz BXIVBTSGNNEIOD-UHFFFAOYSA-N 0 0 410.459 3.705 50 5 HHBARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809705 568810969 /nfs/dbraw/zinc/81/09/69/568810969.db2.gz QHINTVLKYBQALS-UHFFFAOYSA-N 0 0 414.805 3.517 50 5 HHBARN COc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1Br ZINC000002945801 568819785 /nfs/dbraw/zinc/81/97/85/568819785.db2.gz USWMELRISYOVOM-RIYZIHGNSA-N 0 0 403.188 3.710 50 5 HHBARN COC(=O)c1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(C(=O)OC)c1 ZINC000001194267 568822627 /nfs/dbraw/zinc/82/26/27/568822627.db2.gz JMXGYGCXWNDWPY-UHFFFAOYSA-N 0 0 424.365 3.680 50 5 HHBARN Cc1cc2ncn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])c2cc1C ZINC000005899735 568828714 /nfs/dbraw/zinc/82/87/14/568828714.db2.gz YKXDHPAEKAFKLT-UHFFFAOYSA-N 0 0 414.487 3.725 50 5 HHBARN Cc1ccc(C2=NN(C(=O)COc3cccnc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000005971335 568833186 /nfs/dbraw/zinc/83/31/86/568833186.db2.gz ISXBSKBKCGXKKM-KRWDZBQOSA-N 0 0 406.398 3.648 50 5 HHBARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000029820797 568836428 /nfs/dbraw/zinc/83/64/28/568836428.db2.gz RQQUIBXOEKXUOK-QGZVFWFLSA-N 0 0 418.421 3.916 50 5 HHBARN COc1ccccc1-c1nc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n[nH]1 ZINC000052778638 568836548 /nfs/dbraw/zinc/83/65/48/568836548.db2.gz SRJFZOYSSUJJIJ-UHFFFAOYSA-N 0 0 405.370 3.901 50 5 HHBARN NS(=O)(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000012506097 568839242 /nfs/dbraw/zinc/83/92/42/568839242.db2.gz BLRNCOVBTXEVBE-UHFFFAOYSA-N 0 0 416.484 3.592 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCN1CCc2ccccc21 ZINC000012537257 568845981 /nfs/dbraw/zinc/84/59/81/568845981.db2.gz CEXXWDBXXYAUKH-UHFFFAOYSA-N 0 0 411.505 3.724 50 5 HHBARN COC[C@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012550391 568852912 /nfs/dbraw/zinc/85/29/12/568852912.db2.gz AFBDSHDREGUSBY-SJCJKPOMSA-N 0 0 422.279 3.662 50 5 HHBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1OC(F)F ZINC000003284874 568872400 /nfs/dbraw/zinc/87/24/00/568872400.db2.gz KINNCRCYZMRQGJ-UHFFFAOYSA-N 0 0 400.721 3.645 50 5 HHBARN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000058161748 568894548 /nfs/dbraw/zinc/89/45/48/568894548.db2.gz VEKGSQZLJLIFBP-FTRWYGJKSA-N 0 0 409.486 3.961 50 5 HHBARN C[C@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003436290 568902741 /nfs/dbraw/zinc/90/27/41/568902741.db2.gz PBQQRLJRERSLEL-KTROKBFUSA-N 0 0 418.789 3.561 50 5 HHBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC000030996700 568907792 /nfs/dbraw/zinc/90/77/92/568907792.db2.gz CWBVGQBMAWMGAW-UHFFFAOYSA-N 0 0 400.332 3.664 50 5 HHBARN CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 ZINC000248382036 568917847 /nfs/dbraw/zinc/91/78/47/568917847.db2.gz VSFJRMLOGUIBII-RDGPPVDQSA-N 0 0 414.259 3.540 50 5 HHBARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304559 568922622 /nfs/dbraw/zinc/92/26/22/568922622.db2.gz GVFAGNBQNJJYFP-NVXWUHKLSA-N 0 0 408.930 3.550 50 5 HHBARN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)oc1-c1ccccc1 ZINC000001387877 568922992 /nfs/dbraw/zinc/92/29/92/568922992.db2.gz PRNDECLJSMIBEF-UHFFFAOYSA-N 0 0 408.366 3.644 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000031662579 568929010 /nfs/dbraw/zinc/92/90/10/568929010.db2.gz WDZDNSJGOIHNGT-UHFFFAOYSA-N 0 0 423.256 3.892 50 5 HHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(OCc2cscn2)cc1 ZINC000012757074 568944245 /nfs/dbraw/zinc/94/42/45/568944245.db2.gz ZILZHGQIONEADW-LSCVHKIXSA-N 0 0 407.407 3.975 50 5 HHBARN C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000012757000 568944297 /nfs/dbraw/zinc/94/42/97/568944297.db2.gz ZUTFJRICSCPRHT-QWRGUYRKSA-N 0 0 410.883 3.566 50 5 HHBARN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc21 ZINC000004138403 568945587 /nfs/dbraw/zinc/94/55/87/568945587.db2.gz QDVFAGVUDFWYJC-UHFFFAOYSA-N 0 0 408.443 3.602 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004163290 568947737 /nfs/dbraw/zinc/94/77/37/568947737.db2.gz NHKZQPFXZRNZHB-GUDVDZBRSA-N 0 0 421.434 3.707 50 5 HHBARN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(OCCCOc2ccccc2)C1 ZINC000084667943 568955197 /nfs/dbraw/zinc/95/51/97/568955197.db2.gz OZADILGKXLPZSB-MRXNPFEDSA-N 0 0 424.457 3.876 50 5 HHBARN COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(C)C ZINC000008175612 568979975 /nfs/dbraw/zinc/97/99/75/568979975.db2.gz WXIWYLJUNKSIMX-UHFFFAOYSA-N 0 0 407.854 3.886 50 5 HHBARN Cc1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000001453685 568986335 /nfs/dbraw/zinc/98/63/35/568986335.db2.gz FHPCTUGKGHPIDX-UHFFFAOYSA-N 0 0 418.409 3.905 50 5 HHBARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1[N+](=O)[O-] ZINC000008320145 568988709 /nfs/dbraw/zinc/98/87/09/568988709.db2.gz FBKNLIWJMNTHGF-NSHDSACASA-N 0 0 408.443 3.842 50 5 HHBARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008327234 568992026 /nfs/dbraw/zinc/99/20/26/568992026.db2.gz UPGYMFQTAWKZKF-UHFFFAOYSA-N 0 0 407.382 3.745 50 5 HHBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015830806 569011692 /nfs/dbraw/zinc/01/16/92/569011692.db2.gz XBVISHBEKDLXML-UHFFFAOYSA-N 0 0 400.195 3.841 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000015974481 569025193 /nfs/dbraw/zinc/02/51/93/569025193.db2.gz VIOQMHFXBBUGIL-LJQANCHMSA-N 0 0 404.430 3.731 50 5 HHBARN C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016044829 569028104 /nfs/dbraw/zinc/02/81/04/569028104.db2.gz PTWGNSGHVDNVIM-SNVBAGLBSA-N 0 0 418.862 3.614 50 5 HHBARN C[C@@H]1C[C@H](C)CN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000035318099 569031418 /nfs/dbraw/zinc/03/14/18/569031418.db2.gz PRHBYPNOJYQGAP-ZSDSOXJFSA-N 0 0 417.506 3.791 50 5 HHBARN COc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000006430256 569048803 /nfs/dbraw/zinc/04/88/03/569048803.db2.gz YNJRFUJTYVYNBC-UHFFFAOYSA-N 0 0 402.447 3.692 50 5 HHBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)c([N+](=O)[O-])c1 ZINC000001831936 569056311 /nfs/dbraw/zinc/05/63/11/569056311.db2.gz KMFYJCVJERLCNZ-UHFFFAOYSA-N 0 0 424.398 3.949 50 5 HHBARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccco1 ZINC000035845033 569062627 /nfs/dbraw/zinc/06/26/27/569062627.db2.gz PPBPPXQLIARKCI-QGZVFWFLSA-N 0 0 404.382 3.952 50 5 HHBARN Cc1c(O[C@@H](C)C(=O)NC[C@H](O)c2ccccc2)ccc2c3ccccc3c(=O)oc12 ZINC000006659577 569083726 /nfs/dbraw/zinc/08/37/26/569083726.db2.gz BSPNMOIRUNESNA-KKSFZXQISA-N 0 0 417.461 3.872 50 5 HHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000064818280 569102073 /nfs/dbraw/zinc/10/20/73/569102073.db2.gz RJAGEHDCDFBFJH-UHFFFAOYSA-N 0 0 410.405 3.733 50 5 HHBARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000006933168 569184563 /nfs/dbraw/zinc/18/45/63/569184563.db2.gz XYZNMEFXDANVAF-UHFFFAOYSA-N 0 0 405.366 3.828 50 5 HHBARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 ZINC000239164790 569231229 /nfs/dbraw/zinc/23/12/29/569231229.db2.gz MXMQSSRBPPKJAF-VMDGZTHMSA-N 0 0 408.410 3.740 50 5 HHBARN Cc1ccc(-c2nc3c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 ZINC000065534910 569234474 /nfs/dbraw/zinc/23/44/74/569234474.db2.gz JFQNQYRZMGFFMP-UHFFFAOYSA-N 0 0 411.421 3.976 50 5 HHBARN COc1ccc(C)cc1[C@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000007365653 569235605 /nfs/dbraw/zinc/23/56/05/569235605.db2.gz LDWDYNUDKGDPSL-AWEZNQCLSA-N 0 0 407.492 3.772 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1F ZINC000170614589 569247163 /nfs/dbraw/zinc/24/71/63/569247163.db2.gz PGQMWVHPCKABFY-UHFFFAOYSA-N 0 0 413.236 3.707 50 5 HHBARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000010499811 569254680 /nfs/dbraw/zinc/25/46/80/569254680.db2.gz FOCNYALTHYWHCS-UHFFFAOYSA-N 0 0 410.455 3.807 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnn2c1nccc2-c1cccc([N+](=O)[O-])c1 ZINC000017091377 569273884 /nfs/dbraw/zinc/27/38/84/569273884.db2.gz FWCHJUDOPRSVQJ-UHFFFAOYSA-N 0 0 418.369 3.773 50 5 HHBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000002080084 569274848 /nfs/dbraw/zinc/27/48/48/569274848.db2.gz DZJYFFUHZVVAQS-SECBINFHSA-N 0 0 419.415 3.728 50 5 HHBARN COc1ccc2c3ccc(OC(=O)CCNC(=O)OC(C)(C)C)cc3oc(=O)c2c1 ZINC000002096463 569280935 /nfs/dbraw/zinc/28/09/35/569280935.db2.gz YWUPIIKBXHYEFW-UHFFFAOYSA-N 0 0 413.426 3.775 50 5 biogenic HHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccccc2F)c1 ZINC000007594314 569287002 /nfs/dbraw/zinc/28/70/02/569287002.db2.gz FRQFPVOHIPMQCM-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)c2cccnc12 ZINC000241969550 569314117 /nfs/dbraw/zinc/31/41/17/569314117.db2.gz UXKWPDLCGJAKTF-UHFFFAOYSA-N 0 0 422.426 3.673 50 5 HHBARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002251764 569324083 /nfs/dbraw/zinc/32/40/83/569324083.db2.gz LFEPLMKZOTYFFP-GOEBONIOSA-N 0 0 403.460 3.585 50 5 HHBARN COc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002307690 569372661 /nfs/dbraw/zinc/37/26/61/569372661.db2.gz SHZLZGXMTBXWSZ-CHHVJCJISA-N 0 0 416.773 3.527 50 5 HHBARN COc1ccccc1NC(=O)Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1 ZINC000002320922 569375056 /nfs/dbraw/zinc/37/50/56/569375056.db2.gz WHJAVRIXEDLLCR-UHFFFAOYSA-N 0 0 401.404 3.678 50 5 HHBARN COCCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c(C)c(C)sc12 ZINC000002362687 569387268 /nfs/dbraw/zinc/38/72/68/569387268.db2.gz VSCJRSAFQVZUPS-UHFFFAOYSA-N 0 0 422.466 3.771 50 5 HHBARN COC(=O)c1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 ZINC000012649212 569402277 /nfs/dbraw/zinc/40/22/77/569402277.db2.gz ZXQTYOSNPSSGGW-UHFFFAOYSA-N 0 0 424.457 3.756 50 5 HHBARN CCOc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])cc1OC ZINC000012796768 569403547 /nfs/dbraw/zinc/40/35/47/569403547.db2.gz MCNLYGJYXFEUHH-KRWDZBQOSA-N 0 0 421.881 3.688 50 5 HHBARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000013057236 569408202 /nfs/dbraw/zinc/40/82/02/569408202.db2.gz YKCYCTFPOXFZCZ-UHFFFAOYSA-N 0 0 414.849 3.846 50 5 HHBARN O=C(NCc1ccccc1)c1ccccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000013147671 569409980 /nfs/dbraw/zinc/40/99/80/569409980.db2.gz WNNIMSYSPBDCSK-UHFFFAOYSA-N 0 0 420.421 3.970 50 5 HHBARN O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000019228854 569414512 /nfs/dbraw/zinc/41/45/12/569414512.db2.gz HTFNBXPQEUDLAV-OAHLLOKOSA-N 0 0 402.665 3.811 50 5 HHBARN COc1ccccc1C[C@H](C)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000078903527 569421613 /nfs/dbraw/zinc/42/16/13/569421613.db2.gz GWPUXLYXFSYWRW-HNNXBMFYSA-N 0 0 408.458 3.635 50 5 HHBARN Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000078968448 569422252 /nfs/dbraw/zinc/42/22/52/569422252.db2.gz SMWRDIUCFWJDGN-ABAIWWIYSA-N 0 0 416.425 3.846 50 5 HHBARN CC(=O)c1ccc(N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000079076531 569427152 /nfs/dbraw/zinc/42/71/52/569427152.db2.gz UFPQHDQOGNEULO-IBGZPJMESA-N 0 0 409.442 3.730 50 5 HHBARN COc1ccc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 ZINC000252673089 571048531 /nfs/dbraw/zinc/04/85/31/571048531.db2.gz QXMVKIBRJPYGDL-UHFFFAOYSA-N 0 0 419.418 3.634 50 5 HHBARN CCc1ccc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n[nH]2)cc1 ZINC000008483957 571054981 /nfs/dbraw/zinc/05/49/81/571054981.db2.gz DKABEXALXNDDDW-UHFFFAOYSA-N 0 0 413.459 3.682 50 5 HHBARN NC(=O)[C@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000039356295 571131786 /nfs/dbraw/zinc/13/17/86/571131786.db2.gz KPVCUXKOJPSNDL-MAUKXSAKSA-N 0 0 401.831 3.824 50 5 HHBARN NC(=O)[C@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000039356294 571131829 /nfs/dbraw/zinc/13/18/29/571131829.db2.gz KPVCUXKOJPSNDL-CRAIPNDOSA-N 0 0 401.831 3.824 50 5 HHBARN C[C@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000039608108 571133674 /nfs/dbraw/zinc/13/36/74/571133674.db2.gz NVOOEPOKWZPWRN-FGEFZZPRSA-N 0 0 420.834 3.541 50 5 HHBARN COc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000040074443 571154658 /nfs/dbraw/zinc/15/46/58/571154658.db2.gz CPFDFOTZYVOWNR-UHFFFAOYSA-N 0 0 404.444 3.572 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000040116304 571173963 /nfs/dbraw/zinc/17/39/63/571173963.db2.gz MLRBKFIPEKOLAF-UHFFFAOYSA-N 0 0 401.419 3.693 50 5 HHBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1 ZINC000009009613 571210054 /nfs/dbraw/zinc/21/00/54/571210054.db2.gz QJSQWSSTSJCCFR-IBGZPJMESA-N 0 0 417.352 3.985 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000245239963 571218948 /nfs/dbraw/zinc/21/89/48/571218948.db2.gz INEDVKVVWCQTTM-QHAWAJNXSA-N 0 0 415.405 3.646 50 5 HHBARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000009109238 571222112 /nfs/dbraw/zinc/22/21/12/571222112.db2.gz YCLQLQXESPUYGX-SFHVURJKSA-N 0 0 421.340 3.887 50 5 HHBARN CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O ZINC000245326372 571224485 /nfs/dbraw/zinc/22/44/85/571224485.db2.gz JPDBFJJDYVWNIZ-PGRDOPGGSA-N 0 0 422.441 3.644 50 5 HHBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc([N+](=O)[O-])c1 ZINC000009404449 571255299 /nfs/dbraw/zinc/25/52/99/571255299.db2.gz SAESTGIWBFDNOA-UHFFFAOYSA-N 0 0 411.399 3.688 50 5 HHBARN CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000009424526 571257725 /nfs/dbraw/zinc/25/77/25/571257725.db2.gz GCWFECZNEBEYTI-RGEXLXHISA-N 0 0 424.416 3.811 50 5 HHBARN COc1ccc(C2=N/C(=C/c3ccccc3Br)C(=O)O2)cc1[N+](=O)[O-] ZINC000009451852 571259976 /nfs/dbraw/zinc/25/99/76/571259976.db2.gz FPOCQMRJROQMQY-MDWZMJQESA-N 0 0 403.188 3.710 50 5 HHBARN O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000009491931 571262876 /nfs/dbraw/zinc/26/28/76/571262876.db2.gz OTZMMOJORDIIQX-UHFFFAOYSA-N 0 0 416.739 3.991 50 5 HHBARN COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009512009 571264159 /nfs/dbraw/zinc/26/41/59/571264159.db2.gz MYJHOKZHSVLZNJ-UHFFFAOYSA-N 0 0 419.850 3.568 50 5 HHBARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000009517644 571265272 /nfs/dbraw/zinc/26/52/72/571265272.db2.gz STVZNSHSFRYSJY-UHFFFAOYSA-N 0 0 424.417 3.594 50 5 HHBARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000009540045 571267396 /nfs/dbraw/zinc/26/73/96/571267396.db2.gz FWOARJQHNFDVHY-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000009562314 571268532 /nfs/dbraw/zinc/26/85/32/571268532.db2.gz IIDXAFMQTGJFOM-UHFFFAOYSA-N 0 0 423.376 3.925 50 5 HHBARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000009934644 571290991 /nfs/dbraw/zinc/29/09/91/571290991.db2.gz BWROLWIQKMOUBW-UHFFFAOYSA-N 0 0 422.368 3.988 50 5 HHBARN O=C(Nc1nc2ccccc2s1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187976 571296214 /nfs/dbraw/zinc/29/62/14/571296214.db2.gz MVVAOTSTNYNSLZ-UHFFFAOYSA-N 0 0 406.423 3.667 50 5 HHBARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000009892095 571308756 /nfs/dbraw/zinc/30/87/56/571308756.db2.gz UXQXESRTFMSWND-UHFFFAOYSA-N 0 0 414.468 3.854 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000032682619 966309524 /nfs/dbraw/zinc/30/95/24/966309524.db2.gz PKEOSSNLWMZCIZ-VLGSPTGOSA-N 0 0 405.454 3.997 50 5 HHBARN C[C@H](OC(=O)/C=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000035401215 966421255 /nfs/dbraw/zinc/42/12/55/966421255.db2.gz FIPAJFHPFFZHFW-UMAGTOLTSA-N 0 0 406.341 3.780 50 5 HHBARN CC(C)c1ccc(C(=O)N2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000098004852 969185225 /nfs/dbraw/zinc/18/52/25/969185225.db2.gz GDPTUYJYERSNEE-WDZFZDKYSA-N 0 0 407.470 3.716 50 5 HHBARN CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 ZINC000004740904 132286739 /nfs/dbraw/zinc/28/67/39/132286739.db2.gz FJOYYLOGYFRRLF-UHFFFAOYSA-N 0 0 424.501 3.920 50 5 HHBARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007104709 132322503 /nfs/dbraw/zinc/32/25/03/132322503.db2.gz OFMUVVGETJUPLA-UHFFFAOYSA-N 0 0 417.469 3.620 50 5 HHBARN O=C(c1cccc(Br)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008816215 132333510 /nfs/dbraw/zinc/33/35/10/132333510.db2.gz BEQJOERGUSPECL-UHFFFAOYSA-N 0 0 424.682 3.973 50 5 HHBARN C[C@@H](c1ccco1)N(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000009090851 132335672 /nfs/dbraw/zinc/33/56/72/132335672.db2.gz MDMDZGQSMQCCTE-INIZCTEOSA-N 0 0 422.441 3.827 50 5 HHBARN C[C@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000012536569 132362198 /nfs/dbraw/zinc/36/21/98/132362198.db2.gz BKQVGTTYAULIDN-LBPRGKRZSA-N 0 0 409.533 3.857 50 5 HHBARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012642647 132365615 /nfs/dbraw/zinc/36/56/15/132365615.db2.gz DFVBLZDBDNHJML-MRXNPFEDSA-N 0 0 417.462 3.537 50 5 HHBARN O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl ZINC000012860758 132367893 /nfs/dbraw/zinc/36/78/93/132367893.db2.gz NPKISIACUIADSG-UHFFFAOYSA-N 0 0 420.602 3.632 50 5 HHBARN CCOC(=O)/C=C/c1ccc(NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032932268 520401463 /nfs/dbraw/zinc/40/14/63/520401463.db2.gz UWOWGKDPJCRMQU-BJMVGYQFSA-N 0 0 408.414 3.550 50 5 HHBARN CN(CC12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000032837552 522612021 /nfs/dbraw/zinc/61/20/21/522612021.db2.gz ZDWDSXRUTNPTKM-UHFFFAOYSA-N 0 0 413.518 3.720 50 5 HHBARN COc1cc(OC)c(C2=CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)c(OC)c1 ZINC000032860092 522789817 /nfs/dbraw/zinc/78/98/17/522789817.db2.gz ULSNDIYKFDCZIJ-UHFFFAOYSA-N 0 0 416.459 3.624 50 5 HHBARN Cc1nc(-c2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[nH]1 ZINC000032915389 526577573 /nfs/dbraw/zinc/57/75/73/526577573.db2.gz HPJWMMZIUSCNND-LBPRGKRZSA-N 0 0 410.455 3.773 50 5 HHBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1 ZINC000017094118 527372547 /nfs/dbraw/zinc/37/25/47/527372547.db2.gz YRIPYFBEPAUTFO-UHFFFAOYSA-N 0 0 424.804 3.800 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000024760049 527627983 /nfs/dbraw/zinc/62/79/83/527627983.db2.gz GVBUWJKEEFZIQH-VAWYXSNFSA-N 0 0 415.449 3.746 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000032910003 527629591 /nfs/dbraw/zinc/62/95/91/527629591.db2.gz AOIFJDLBVNITAL-CMDGGOBGSA-N 0 0 407.407 3.574 50 5 HHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000032859682 527636769 /nfs/dbraw/zinc/63/67/69/527636769.db2.gz QYGNPSUKKFULOW-MDZDMXLPSA-N 0 0 407.407 3.574 50 5 HHBARN COc1ccc(-c2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000012554428 536530409 /nfs/dbraw/zinc/53/04/09/536530409.db2.gz APMUQNHZQFMDGB-UHFFFAOYSA-N 0 0 422.445 3.631 50 5 HHBARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020081922 558330868 /nfs/dbraw/zinc/33/08/68/558330868.db2.gz ZIZGHRDQVXCJKK-UHFFFAOYSA-N 0 0 407.426 3.939 50 5 HHBARN CC(C)Oc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2[N+](=O)[O-])C1=O ZINC000004369556 558462519 /nfs/dbraw/zinc/46/25/19/558462519.db2.gz XHIGXRGCISMGDY-UHFFFAOYSA-N 0 0 401.806 3.818 50 5 HHBARN COC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 ZINC000024748759 558610045 /nfs/dbraw/zinc/61/00/45/558610045.db2.gz AYYTXIFNKVATKH-UHFFFAOYSA-N 0 0 400.434 3.888 50 5 HHBARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004489753 558610847 /nfs/dbraw/zinc/61/08/47/558610847.db2.gz SKVUDYTVHMLGAX-HNNXBMFYSA-N 0 0 420.487 3.764 50 5 HHBARN Cc1csc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)n1 ZINC000004518835 558647190 /nfs/dbraw/zinc/64/71/90/558647190.db2.gz AWZULFJVRFLSEC-UHFFFAOYSA-N 0 0 404.425 3.824 50 5 HHBARN O=[N+]([O-])c1ccc(C2=NN3C(c4cccc(Br)c4)=NSC3=NC2)cc1 ZINC000004528534 558652066 /nfs/dbraw/zinc/65/20/66/558652066.db2.gz QKGZYOIYCMNIQD-UHFFFAOYSA-N 0 0 416.260 3.842 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000004564814 558730181 /nfs/dbraw/zinc/73/01/81/558730181.db2.gz WVZQKOGGWYOGBS-UHFFFAOYSA-N 0 0 420.487 3.504 50 5 HHBARN O=C(c1ccc(Br)o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000015821288 558754558 /nfs/dbraw/zinc/75/45/58/558754558.db2.gz YZMBCYZYYYMDAY-UHFFFAOYSA-N 0 0 414.643 3.566 50 5 HHBARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc21 ZINC000016749578 558804386 /nfs/dbraw/zinc/80/43/86/558804386.db2.gz SXSKABYWQVFKEM-LLVKDONJSA-N 0 0 416.817 3.585 50 5 HHBARN C[N+](C)(C)CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528748 558812173 /nfs/dbraw/zinc/81/21/73/558812173.db2.gz BBEFGWXHNDOXLR-JOCHJYFZSA-O 0 0 411.522 3.855 50 5 HHBARN CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004591620 558829141 /nfs/dbraw/zinc/82/91/41/558829141.db2.gz YZIQTWPNWQSXAU-JFUPDXTOSA-N 0 0 408.520 3.702 50 5 HHBARN CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004591618 558829157 /nfs/dbraw/zinc/82/91/57/558829157.db2.gz YZIQTWPNWQSXAU-PVARCSIZSA-N 0 0 408.520 3.702 50 5 HHBARN CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000004687315 558893692 /nfs/dbraw/zinc/89/36/92/558893692.db2.gz MYTJSJGMAOMCMC-UHFFFAOYSA-N 0 0 401.444 3.597 50 5 HHBARN O=C(CCCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000004702060 558906636 /nfs/dbraw/zinc/90/66/36/558906636.db2.gz WENJOCVXOZCEIX-UHFFFAOYSA-N 0 0 404.806 3.783 50 5 HHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021841586 558958290 /nfs/dbraw/zinc/95/82/90/558958290.db2.gz NUTQRRGGAISICO-UHFFFAOYSA-N 0 0 409.364 3.968 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000023142623 559020680 /nfs/dbraw/zinc/02/06/80/559020680.db2.gz JAOXXSMMGSHEGB-QGZVFWFLSA-N 0 0 403.442 3.907 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O ZINC000100037537 559115102 /nfs/dbraw/zinc/11/51/02/559115102.db2.gz HNEZKHXMXZGDLP-UHFFFAOYSA-N 0 0 422.309 3.673 50 5 HHBARN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004834694 559165388 /nfs/dbraw/zinc/16/53/88/559165388.db2.gz YYAHBJXPNPVDLT-AQTBWJFISA-N 0 0 410.389 3.787 50 5 HHBARN C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC1=CCCCC1 ZINC000004840360 559167242 /nfs/dbraw/zinc/16/72/42/559167242.db2.gz JJABPXLQUHFDAP-INIZCTEOSA-N 0 0 415.490 3.747 50 5 HHBARN Cc1cc(C)n(-c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)n1 ZINC000033499861 559199432 /nfs/dbraw/zinc/19/94/32/559199432.db2.gz LCMGPJSGBQOJAF-UHFFFAOYSA-N 0 0 409.398 3.621 50 5 HHBARN Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2c(C)c1 ZINC000004901534 559199864 /nfs/dbraw/zinc/19/98/64/559199864.db2.gz HZCRFLCCHKEXSU-UHFFFAOYSA-N 0 0 412.471 3.910 50 5 HHBARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004928819 559207312 /nfs/dbraw/zinc/20/73/12/559207312.db2.gz ZMGKLTZYUDXTAL-LJQANCHMSA-N 0 0 406.398 3.553 50 5 HHBARN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005007298 559227582 /nfs/dbraw/zinc/22/75/82/559227582.db2.gz OCZIDWLWVCBEHR-UHFFFAOYSA-N 0 0 413.459 3.532 50 5 HHBARN COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000005059915 559237474 /nfs/dbraw/zinc/23/74/74/559237474.db2.gz AKVVHTXQCVJFBV-NRFANRHFSA-N 0 0 412.467 3.980 50 5 HHBARN Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3C(C)C)c(=O)n2c1 ZINC000100630663 559246982 /nfs/dbraw/zinc/24/69/82/559246982.db2.gz WGJKMGKBCYGLKW-INIZCTEOSA-N 0 0 415.497 3.509 50 5 HHBARN Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000005246123 560550467 /nfs/dbraw/zinc/55/04/67/560550467.db2.gz PFGXJFDXJLSDSS-SFHVURJKSA-N 0 0 403.350 3.747 50 5 HHBARN CC(C)CCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccc([N+](=O)[O-])c1 ZINC000005354533 560569373 /nfs/dbraw/zinc/56/93/73/560569373.db2.gz BPDBTJQNOISFPO-UHFFFAOYSA-N 0 0 418.453 3.870 50 5 HHBARN CCCCn1c(N)c(-c2nc3ccccc3s2)c2c1c(=O)n(CC)nc2[N+](=O)[O-] ZINC000005415338 560584596 /nfs/dbraw/zinc/58/45/96/560584596.db2.gz ZHSPJPKZEUSQCW-UHFFFAOYSA-N 0 0 412.475 3.785 50 5 HHBARN CCN1c2ccc(S(=O)(=O)C(F)(F)F)cc2N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005568461 560617068 /nfs/dbraw/zinc/61/70/68/560617068.db2.gz DLGFMNXOKOGCIK-HNNXBMFYSA-N 0 0 401.366 3.839 50 5 HHBARN CCN1c2ccc(S(=O)(=O)C(F)(F)F)cc2N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005568468 560617084 /nfs/dbraw/zinc/61/70/84/560617084.db2.gz DLGFMNXOKOGCIK-OAHLLOKOSA-N 0 0 401.366 3.839 50 5 HHBARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl)n2C ZINC000100909131 560762277 /nfs/dbraw/zinc/76/22/77/560762277.db2.gz GZWXXHZAJRPAFX-ZPHPHTNESA-N 0 0 407.835 3.560 50 5 HHBARN O=[N+]([O-])c1cccc(C2=Nc3nnnn3[C@H](c3cc(Br)ccc3F)C2)c1 ZINC000101060326 560768709 /nfs/dbraw/zinc/76/87/09/560768709.db2.gz DLXMZEHISMDDSP-HNNXBMFYSA-N 0 0 417.198 3.539 50 5 HHBARN CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000018056368 560774164 /nfs/dbraw/zinc/77/41/64/560774164.db2.gz AFCDPNLYLNZAIZ-UHFFFAOYSA-N 0 0 404.322 3.639 50 5 HHBARN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000018111567 560775949 /nfs/dbraw/zinc/77/59/49/560775949.db2.gz WTDNWOORJIATQL-UHFFFAOYSA-N 0 0 411.936 3.990 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102715460 560823105 /nfs/dbraw/zinc/82/31/05/560823105.db2.gz OBTZGXKXSUAATG-NJDAHSKKSA-N 0 0 415.405 3.646 50 5 HHBARN Cc1ccc(C(=O)C2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)c(C)c1 ZINC000024456996 560826365 /nfs/dbraw/zinc/82/63/65/560826365.db2.gz FYUVJZFIAWYDRC-UHFFFAOYSA-N 0 0 406.442 3.823 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000024542724 560844742 /nfs/dbraw/zinc/84/47/42/560844742.db2.gz ZFOUCXVJAOKONS-QGZVFWFLSA-N 0 0 412.442 3.807 50 5 HHBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)NCC(C)C)[C@H]3C2)cc1 ZINC000104919173 560856811 /nfs/dbraw/zinc/85/68/11/560856811.db2.gz RCSBBBDONDYNJJ-JTHBVZDNSA-N 0 0 422.529 3.543 50 5 HHBARN Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717790 568443421 /nfs/dbraw/zinc/44/34/21/568443421.db2.gz NHRFUASDZWXVIL-UHFFFAOYSA-N 0 0 404.488 3.854 50 5 HHBARN CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O ZINC000000712115 568464670 /nfs/dbraw/zinc/46/46/70/568464670.db2.gz GEXGVZKQULEQLC-SXGWCWSVSA-N 0 0 410.382 3.572 50 5 HHBARN Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c(C)c1[N+](=O)[O-] ZINC000000845133 568537999 /nfs/dbraw/zinc/53/79/99/568537999.db2.gz CBSSAUXJTLMION-UHFFFAOYSA-N 0 0 420.491 3.552 50 5 HHBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 ZINC000095467515 568624938 /nfs/dbraw/zinc/62/49/38/568624938.db2.gz RXUBDTVODWIGNK-ZDUSSCGKSA-N 0 0 424.910 3.676 50 5 HHBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000095545427 568636111 /nfs/dbraw/zinc/63/61/11/568636111.db2.gz OXNUHFLWXAWQNI-IRXDYDNUSA-N 0 0 409.417 3.844 50 5 HHBARN C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 ZINC000021134214 568670263 /nfs/dbraw/zinc/67/02/63/568670263.db2.gz NQSXXGBNVTYTJR-KGLIPLIRSA-N 0 0 400.456 3.596 50 5 HHBARN O=C(CCc1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000000866244 568713754 /nfs/dbraw/zinc/71/37/54/568713754.db2.gz JZWIBZQMDOAFBL-GOSISDBHSA-N 0 0 407.348 3.523 50 5 HHBARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)CC1 ZINC000096276539 568715350 /nfs/dbraw/zinc/71/53/50/568715350.db2.gz MLAWVPBLUARDOL-LJQANCHMSA-N 0 0 424.476 3.901 50 5 HHBARN CCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)Cc1ccc(F)cc1 ZINC000096290424 568720424 /nfs/dbraw/zinc/72/04/24/568720424.db2.gz DJQPYBBKNMHRCN-UHFFFAOYSA-N 0 0 412.421 3.808 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(I)cc2C)cc1[N+](=O)[O-] ZINC000000870321 568726143 /nfs/dbraw/zinc/72/61/43/568726143.db2.gz XSJZUWUKACTUOM-UHFFFAOYSA-N 0 0 412.183 3.769 50 5 HHBARN NC(=O)c1ccccc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1 ZINC000015020448 568743337 /nfs/dbraw/zinc/74/33/37/568743337.db2.gz OTKMPGJEWIFMBN-DHZHZOJOSA-N 0 0 420.450 3.892 50 5 HHBARN C[C@@H](OC(=O)CCc1ccc2c(c1)OCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012452893 568749037 /nfs/dbraw/zinc/74/90/37/568749037.db2.gz WQWGKOIFRTYZAM-GFCCVEGCSA-N 0 0 411.370 3.611 50 5 HHBARN O=C(Cc1ccccc1)Nc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000990459 568759640 /nfs/dbraw/zinc/75/96/40/568759640.db2.gz BMVVNSOPQXEJLJ-UHFFFAOYSA-N 0 0 418.405 3.816 50 5 HHBARN O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000000991315 568759810 /nfs/dbraw/zinc/75/98/10/568759810.db2.gz IJDXFVSNVIUGDK-UHFFFAOYSA-N 0 0 404.378 3.887 50 5 HHBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000001022393 568763370 /nfs/dbraw/zinc/76/33/70/568763370.db2.gz ZERHPNCUKYBRGT-UHFFFAOYSA-N 0 0 413.345 3.564 50 5 HHBARN Cc1nc2ccccn2c1-c1ccnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000001031565 568764055 /nfs/dbraw/zinc/76/40/55/568764055.db2.gz BDZQFDJKHFIJHB-UHFFFAOYSA-N 0 0 405.439 3.983 50 5 HHBARN COc1ccc(NC(=O)c2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000001145713 568772515 /nfs/dbraw/zinc/77/25/15/568772515.db2.gz OAUSMGQCYALQDZ-UHFFFAOYSA-N 0 0 421.409 3.873 50 5 HHBARN NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000001156892 568774445 /nfs/dbraw/zinc/77/44/45/568774445.db2.gz CDJPTINILZTWBV-SOFGYWHQSA-N 0 0 405.863 3.939 50 5 HHBARN CC[C@@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 ZINC000002616925 568785788 /nfs/dbraw/zinc/78/57/88/568785788.db2.gz 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COc1cccc(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)c1OC ZINC000002761830 568807121 /nfs/dbraw/zinc/80/71/21/568807121.db2.gz GCWWACGAMLSADZ-UHFFFAOYSA-N 0 0 400.309 3.805 50 5 HHBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000002796401 568809422 /nfs/dbraw/zinc/80/94/22/568809422.db2.gz IXQSBAOLJFHJIO-UHFFFAOYSA-N 0 0 413.365 3.756 50 5 HHBARN CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000002826890 568812197 /nfs/dbraw/zinc/81/21/97/568812197.db2.gz MNSGUTKNEQRNFG-UHFFFAOYSA-N 0 0 411.867 3.579 50 5 HHBARN COc1ccc(/C=C2\N=C(/C=C/c3cccc([N+](=O)[O-])c3)OC2=O)c(OC)c1OC ZINC000002930244 568816739 /nfs/dbraw/zinc/81/67/39/568816739.db2.gz CKWVSBFSSHWIDB-QGSAOVALSA-N 0 0 410.382 3.630 50 5 HHBARN CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 ZINC000015166344 568818383 /nfs/dbraw/zinc/81/83/83/568818383.db2.gz DMEYYKRHAQDXAO-UHFFFAOYSA-N 0 0 418.431 3.514 50 5 HHBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000001174727 568818898 /nfs/dbraw/zinc/81/88/98/568818898.db2.gz LGNIQKBRBDPNQU-UHFFFAOYSA-N 0 0 424.276 3.883 50 5 HHBARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001173899 568818901 /nfs/dbraw/zinc/81/89/01/568818901.db2.gz BDWXPHSDYQLAML-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000001185765 568821826 /nfs/dbraw/zinc/82/18/26/568821826.db2.gz KWSOUCWYQRVVHU-UHFFFAOYSA-N 0 0 405.451 3.923 50 5 HHBARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000001188331 568821857 /nfs/dbraw/zinc/82/18/57/568821857.db2.gz NIJRJXKYNBSHQL-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000001189419 568821864 /nfs/dbraw/zinc/82/18/64/568821864.db2.gz ZZLGUAHGVQBRNE-KRWDZBQOSA-N 0 0 416.890 3.988 50 5 HHBARN CCOC(=O)c1c(CC(C)C)csc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001194667 568822629 /nfs/dbraw/zinc/82/26/29/568822629.db2.gz SUDXRGLCOBHJBH-UHFFFAOYSA-N 0 0 402.428 3.832 50 5 HHBARN Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001196539 568822673 /nfs/dbraw/zinc/82/26/73/568822673.db2.gz UXYLNJFSLIVBTJ-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1cc(Br)ccc1O ZINC000001192960 568822789 /nfs/dbraw/zinc/82/27/89/568822789.db2.gz SOGFTMJJUPTYNL-FPYGCLRLSA-N 0 0 422.260 3.589 50 5 HHBARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000005862241 568826482 /nfs/dbraw/zinc/82/64/82/568826482.db2.gz YBXIMSUDUZZIGS-XJKSGUPXSA-N 0 0 418.475 3.639 50 5 HHBARN CCN(CCCNC(=O)c1cccn2c(=O)c3ccccc3nc12)c1cccc(C)c1 ZINC000002957254 568829826 /nfs/dbraw/zinc/82/98/26/568829826.db2.gz JFGQQDWZFICELP-UHFFFAOYSA-N 0 0 414.509 3.803 50 5 HHBARN C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000003008085 568836852 /nfs/dbraw/zinc/83/68/52/568836852.db2.gz KPZXSHZDEZBLQT-ZDUSSCGKSA-N 0 0 410.455 3.933 50 5 HHBARN COCCCNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000003003929 568836940 /nfs/dbraw/zinc/83/69/40/568836940.db2.gz IWWMUJANWCEDOQ-UHFFFAOYSA-N 0 0 417.487 3.554 50 5 HHBARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025623493 568837528 /nfs/dbraw/zinc/83/75/28/568837528.db2.gz QSHCZLFCOSLKMR-HXUWFJFHSA-N 0 0 413.437 3.889 50 5 HHBARN Cc1c(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cccc1[N+](=O)[O-] ZINC000012536674 568845890 /nfs/dbraw/zinc/84/58/90/568845890.db2.gz NSAILUMHSYOXQZ-UHFFFAOYSA-N 0 0 420.351 3.553 50 5 HHBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)N(c1ccccc1)C1CCCCC1 ZINC000057585535 568854522 /nfs/dbraw/zinc/85/45/22/568854522.db2.gz HDMYKWCMAXFSHK-UHFFFAOYSA-N 0 0 412.490 3.777 50 5 HHBARN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000012559094 568856894 /nfs/dbraw/zinc/85/68/94/568856894.db2.gz PMTJAEANGYPFQN-CYBMUJFWSA-N 0 0 410.430 3.508 50 5 HHBARN COc1ccc(CNC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC ZINC000003197077 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MYEAZPYSIYYRTQ-UHFFFAOYSA-N 0 0 419.384 3.659 50 5 HHBARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000009707756 571280787 /nfs/dbraw/zinc/28/07/87/571280787.db2.gz WGTILDMGELVYOQ-UHFFFAOYSA-N 0 0 417.468 3.764 50 5 HHBARN COc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 ZINC000009716048 571281691 /nfs/dbraw/zinc/28/16/91/571281691.db2.gz KSLSPMVQCCLMJY-UHFFFAOYSA-N 0 0 424.384 3.991 50 5 HHBARN O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009829254 571287252 /nfs/dbraw/zinc/28/72/52/571287252.db2.gz GWGIXWHWNOECCZ-UHFFFAOYSA-N 0 0 419.802 3.503 50 5 HHBARN Cc1cc(C(=O)COC(=O)C=Cc2ccccc2[N+](=O)[O-])c(C)n1C[C@@H]1CCCO1 ZINC000004822056 960617649 /nfs/dbraw/zinc/61/76/49/960617649.db2.gz DJCXYSDXLAKVNG-BBVFFXRHSA-N 0 0 412.442 3.631 50 5 HHBARN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009989998 961726936 /nfs/dbraw/zinc/72/69/36/961726936.db2.gz KUUSUCGJMJQVDY-FPYGCLRLSA-N 0 0 422.437 3.501 50 5 HHBARN COc1cc(OC)c(C2=CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000012783287 962327395 /nfs/dbraw/zinc/32/73/95/962327395.db2.gz YCXSNNPWGQTDFP-RMKNXTFCSA-N 0 0 424.453 3.950 50 5 HHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000013130790 962368717 /nfs/dbraw/zinc/36/87/17/962368717.db2.gz BMKLKRYRJLYGOQ-FPYGCLRLSA-N 0 0 423.252 3.817 50 5 HHBARN O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000096936162 969057616 /nfs/dbraw/zinc/05/76/16/969057616.db2.gz QABBOMHVOIEWBG-DAXSKMNVSA-N 0 0 422.437 3.501 50 5 HHBARN COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000104699537 969204603 /nfs/dbraw/zinc/20/46/03/969204603.db2.gz OTUOGCZIDDQDDM-LFIBNONCSA-N 0 0 408.414 3.946 50 5 HHBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000004121281 132271884 /nfs/dbraw/zinc/27/18/84/132271884.db2.gz RWPTXYGGUWEMMS-UHFFFAOYSA-N 0 0 410.474 3.604 50 5 HHBARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000004757828 132287822 /nfs/dbraw/zinc/28/78/22/132287822.db2.gz FIKYGJNOQFBGJH-UHFFFAOYSA-N 0 0 416.865 3.559 50 5 HHBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004810365 132289177 /nfs/dbraw/zinc/28/91/77/132289177.db2.gz HSYDLNZSXVGHRJ-LRYXAPPNSA-N 0 0 413.518 3.766 50 5 HHBARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004895471 132291966 /nfs/dbraw/zinc/29/19/66/132291966.db2.gz AEHAGJYCIPYBPH-UHFFFAOYSA-N 0 0 410.257 3.668 50 5 HHBARN O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005101208 132301621 /nfs/dbraw/zinc/30/16/21/132301621.db2.gz PMISWSOKBPDMBO-UHFFFAOYSA-N 0 0 410.257 3.629 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006389130 132310596 /nfs/dbraw/zinc/31/05/96/132310596.db2.gz OXSVXQBEYOQKEC-UHFFFAOYSA-N 0 0 400.391 3.754 50 5 HHBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000006830396 132318164 /nfs/dbraw/zinc/31/81/64/132318164.db2.gz HKQLCCIMZCZKMP-QGZVFWFLSA-N 0 0 424.501 3.920 50 5 HHBARN O=C(CCCc1nc2ccccc2s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000006831229 132318192 /nfs/dbraw/zinc/31/81/92/132318192.db2.gz MCWVHTIMDKXLPG-UHFFFAOYSA-N 0 0 410.499 3.876 50 5 HHBARN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000008170054 132328221 /nfs/dbraw/zinc/32/82/21/132328221.db2.gz DVTOVLOUTGUIJS-HNNXBMFYSA-N 0 0 413.474 3.706 50 5 HHBARN O=C(c1ccc(Br)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008816624 132333507 /nfs/dbraw/zinc/33/35/07/132333507.db2.gz GPVQERUDADVNNZ-UHFFFAOYSA-N 0 0 424.682 3.973 50 5 HHBARN O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 ZINC000008816309 132333522 /nfs/dbraw/zinc/33/35/22/132333522.db2.gz ORTGHJRIKUJFAK-UHFFFAOYSA-N 0 0 424.432 3.901 50 5 HHBARN C[C@@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000012536570 132362177 /nfs/dbraw/zinc/36/21/77/132362177.db2.gz BKQVGTTYAULIDN-GFCCVEGCSA-N 0 0 409.533 3.857 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000023142621 132478395 /nfs/dbraw/zinc/47/83/95/132478395.db2.gz JBEPOGHGFAHVTI-KRWDZBQOSA-N 0 0 403.442 3.907 50 5 HHBARN CCOc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc21 ZINC000010166317 521439140 /nfs/dbraw/zinc/43/91/40/521439140.db2.gz CROICUMETJFZFB-UHFFFAOYSA-N 0 0 418.500 3.627 50 5 HHBARN CCC(CC)C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000032829784 521491057 /nfs/dbraw/zinc/49/10/57/521491057.db2.gz OQSMIKIZENBXPU-UHFFFAOYSA-N 0 0 418.372 3.607 50 5 HHBARN CN(C)C(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 ZINC000019798913 523969435 /nfs/dbraw/zinc/96/94/35/523969435.db2.gz SGOSWKHGNGVAIQ-XMHGGMMESA-N 0 0 405.410 3.714 50 5 HHBARN COc1ccc(Cn2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)cc1 ZINC000040398809 524262661 /nfs/dbraw/zinc/26/26/61/524262661.db2.gz RRUFXYDLFWMRBZ-UHFFFAOYSA-N 0 0 401.466 3.883 50 5 HHBARN COc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000007109091 524500709 /nfs/dbraw/zinc/50/07/09/524500709.db2.gz ZYYJJURHVXEVKC-UHFFFAOYSA-N 0 0 413.213 3.635 50 5 HHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000032930132 525240278 /nfs/dbraw/zinc/24/02/78/525240278.db2.gz JIBMYHUZRKTJNO-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032675374 527332214 /nfs/dbraw/zinc/33/22/14/527332214.db2.gz BJTGNIDOUFNIMB-UHFFFAOYSA-N 0 0 415.402 3.810 50 5 HHBARN CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000010546662 557439064 /nfs/dbraw/zinc/43/90/64/557439064.db2.gz RGHVDXXASJYJHZ-AWEZNQCLSA-N 0 0 424.457 3.898 50 5 HHBARN O=C1CCC(=O)N1CCn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000006148185 557691262 /nfs/dbraw/zinc/69/12/62/557691262.db2.gz SMZJBHZIRJPNLR-UHFFFAOYSA-N 0 0 423.270 3.649 50 5 HHBARN COc1ccc(Cn2c(=O)c3c(=O)c4ccccc4n(C)c3nc2-c2ccco2)cc1 ZINC000002356675 557697627 /nfs/dbraw/zinc/69/76/27/557697627.db2.gz YHWVMPKNHGMHDI-UHFFFAOYSA-N 0 0 413.433 3.565 50 5 HHBARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022906594 557852439 /nfs/dbraw/zinc/85/24/39/557852439.db2.gz GEZOIDAMOKKTTI-QFIPXVFZSA-N 0 0 402.454 3.519 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)OCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004419323 558512592 /nfs/dbraw/zinc/51/25/92/558512592.db2.gz VHMCALOWGWFDBA-UHFFFAOYSA-N 0 0 405.366 3.593 50 5 HHBARN Cc1csc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)n1 ZINC000004518834 558647248 /nfs/dbraw/zinc/64/72/48/558647248.db2.gz FFXVNUZCMDYVRH-UHFFFAOYSA-N 0 0 404.425 3.824 50 5 HHBARN C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004548786 558662253 /nfs/dbraw/zinc/66/22/53/558662253.db2.gz AKLZHBAZSLFYQG-SNVBAGLBSA-N 0 0 404.275 3.681 50 5 HHBARN O=c1c2cc3c(ccn(-c4cccc(Cl)c4)c3=O)nc2ccn1Cc1ccccn1 ZINC000036125585 558797921 /nfs/dbraw/zinc/79/79/21/558797921.db2.gz SSMRVRVFIKUFIV-UHFFFAOYSA-N 0 0 414.852 3.797 50 5 HHBARN CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)N1CCOCC1 ZINC000004598444 558834247 /nfs/dbraw/zinc/83/42/47/558834247.db2.gz JHFHUWGRQADCRB-IBGZPJMESA-N 0 0 406.511 3.765 50 5 HHBARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000010647164 558836451 /nfs/dbraw/zinc/83/64/51/558836451.db2.gz GFYOEKGOGQKUTA-UHFFFAOYSA-N 0 0 411.439 3.898 50 5 HHBARN CSCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1F ZINC000072312598 558837920 /nfs/dbraw/zinc/83/79/20/558837920.db2.gz XRXCHJGMWQDWSI-JTQLQIEISA-N 0 0 410.398 3.920 50 5 HHBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013576727 558843918 /nfs/dbraw/zinc/84/39/18/558843918.db2.gz LTSSNJKYSUGPMN-NIJIEXERSA-N 0 0 417.421 3.564 50 5 HHBARN O=c1[nH][nH]c(-c2ccccc2O)c1[C@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004649874 558866202 /nfs/dbraw/zinc/86/62/02/558866202.db2.gz HOMJFGCSVMMSKO-CYBMUJFWSA-N 0 0 404.220 3.659 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC(=S)NCCc1ccccc1 ZINC000004682437 558893700 /nfs/dbraw/zinc/89/37/00/558893700.db2.gz SKZWKWMKWWAQRR-UHFFFAOYSA-N 0 0 412.437 3.732 50 5 HHBARN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004715543 558914798 /nfs/dbraw/zinc/91/47/98/558914798.db2.gz ZTPSELXLMIZEOI-GDLZYMKVSA-N 0 0 413.455 3.754 50 5 HHBARN O=C1[C@H]2CS[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Cl)cc1 ZINC000004727092 558932402 /nfs/dbraw/zinc/93/24/02/558932402.db2.gz RMJNJNUYUHXAPW-ZBFHGGJFSA-N 0 0 405.888 3.996 50 5 HHBARN COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000004810324 559067673 /nfs/dbraw/zinc/06/76/73/559067673.db2.gz CDNZUAJNRPKIGH-UHFFFAOYSA-N 0 0 415.427 3.753 50 5 HHBARN O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)c(F)c1 ZINC000023294634 559078837 /nfs/dbraw/zinc/07/88/37/559078837.db2.gz LTEKICREJRPZKR-UHFFFAOYSA-N 0 0 418.377 3.958 50 5 HHBARN COc1cccc(-n2c(CN3CCCC[C@H]3C)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000004917633 559204461 /nfs/dbraw/zinc/20/44/61/559204461.db2.gz ZNGHGCTVTPNCTD-OAHLLOKOSA-N 0 0 408.458 3.677 50 5 HHBARN Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000004973911 559221398 /nfs/dbraw/zinc/22/13/98/559221398.db2.gz CSEZRCITMPGSFX-UHFFFAOYSA-N 0 0 412.423 3.923 50 5 HHBARN CCCCC(=O)N1CCN(c2cc(N3CCCC[C@@H]3C)c(F)cc2[N+](=O)[O-])CC1 ZINC000004998251 559225254 /nfs/dbraw/zinc/22/52/54/559225254.db2.gz RIUTWNHTYWPRHP-INIZCTEOSA-N 0 0 406.502 3.952 50 5 HHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000005013287 559228071 /nfs/dbraw/zinc/22/80/71/559228071.db2.gz XZJFBYLLVPJHRU-UHFFFAOYSA-N 0 0 411.435 3.714 50 5 HHBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 ZINC000100580348 559235396 /nfs/dbraw/zinc/23/53/96/559235396.db2.gz RQYNFXLABWOWGX-ZNZDAUKMSA-N 0 0 408.410 3.740 50 5 HHBARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000005061873 559239530 /nfs/dbraw/zinc/23/95/30/559239530.db2.gz PXTLNBJCYDBZQS-UHFFFAOYSA-N 0 0 405.410 3.817 50 5 HHBARN Cc1ccc2nc(N3CCN(C(=O)/C=C/c4cccc([N+](=O)[O-])c4)CC3)sc2c1 ZINC000005180898 559289614 /nfs/dbraw/zinc/28/96/14/559289614.db2.gz ALNGCPLIPLTPOP-SOFGYWHQSA-N 0 0 408.483 3.875 50 5 HHBARN COC(=O)c1cn(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000005210054 560538970 /nfs/dbraw/zinc/53/89/70/560538970.db2.gz OCUSKUZDGIJMSC-UHFFFAOYSA-N 0 0 407.304 3.590 50 5 HHBARN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F ZINC000003281698 560591483 /nfs/dbraw/zinc/59/14/83/560591483.db2.gz BGWMLLFRMYNSQQ-UHFFFAOYSA-N 0 0 400.721 3.645 50 5 HHBARN Cc1cc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C ZINC000005668550 560749342 /nfs/dbraw/zinc/74/93/42/560749342.db2.gz UFHMSDYFBPMCBK-UHFFFAOYSA-N 0 0 410.348 3.955 50 5 HHBARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc(Cl)ccc1[N+](=O)[O-])n2C ZINC000100908907 560762301 /nfs/dbraw/zinc/76/23/01/560762301.db2.gz ZJNVLAHWTSVVAT-ZPHPHTNESA-N 0 0 407.835 3.560 50 5 HHBARN COc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)cc1[N+](=O)[O-] ZINC000005702950 560797798 /nfs/dbraw/zinc/79/77/98/560797798.db2.gz FPOCQMRJROQMQY-JYRVWZFOSA-N 0 0 403.188 3.710 50 5 HHBARN COc1ccc(N2N=C(c3ccccc3)[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000103038269 560836972 /nfs/dbraw/zinc/83/69/72/560836972.db2.gz DZAIOWNZBIVIGO-FQEVSTJZSA-N 0 0 415.405 3.853 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1ON(C)C(=O)N1c1ccc(Cl)cc1 ZINC000005724929 560854179 /nfs/dbraw/zinc/85/41/79/560854179.db2.gz OGRJEWQGRHQDMH-QGZVFWFLSA-N 0 0 404.810 3.715 50 5 HHBARN Cc1cc(C)n2nc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(F)cc3)nc2n1 ZINC000046020659 568424074 /nfs/dbraw/zinc/42/40/74/568424074.db2.gz ITHXHBDVTMVTCO-UHFFFAOYSA-N 0 0 420.404 3.635 50 5 HHBARN CC(C)NC(=O)c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000048277538 568435651 /nfs/dbraw/zinc/43/56/51/568435651.db2.gz CZOAEKCTXXAJPR-QGZVFWFLSA-N 0 0 411.458 3.846 50 5 HHBARN Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048326847 568439729 /nfs/dbraw/zinc/43/97/29/568439729.db2.gz CJJVNCCIGITZHB-UHFFFAOYSA-N 0 0 407.430 3.670 50 5 HHBARN CC[C@@H](C)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000000635585 568456341 /nfs/dbraw/zinc/45/63/41/568456341.db2.gz UHUILKIIRLLYKW-QAPCUYQASA-N 0 0 424.453 3.887 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000675115 568460745 /nfs/dbraw/zinc/46/07/45/568460745.db2.gz MYOXFNBEIIUULO-UHFFFAOYSA-N 0 0 411.867 3.531 50 5 HHBARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@]1(O)C(F)(F)F ZINC000000724138 568466229 /nfs/dbraw/zinc/46/62/29/568466229.db2.gz IWEOJDZREPNXFJ-INIZCTEOSA-N 0 0 413.739 3.749 50 5 HHBARN O=C(CCc1ccccc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000728251 568466274 /nfs/dbraw/zinc/46/62/74/568466274.db2.gz LEEJRNUMZINBPB-SFHVURJKSA-N 0 0 407.348 3.523 50 5 HHBARN O=[N+]([O-])c1cnc2n1C[C@H](CSc1nc(-c3ccccc3)cc(C(F)(F)F)n1)O2 ZINC000000800675 568483911 /nfs/dbraw/zinc/48/39/11/568483911.db2.gz PCECMFFBTRGXJC-LLVKDONJSA-N 0 0 423.376 3.820 50 5 HHBARN O=C(NCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000000811374 568493328 /nfs/dbraw/zinc/49/33/28/568493328.db2.gz SPHWVHLYDVBGBT-QNGOZBTKSA-N 0 0 401.422 3.682 50 5 HHBARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095381718 568603499 /nfs/dbraw/zinc/60/34/99/568603499.db2.gz KHSJGGMAXRVJSL-UHFFFAOYSA-N 0 0 422.832 3.931 50 5 HHBARN COc1ccc(OC)c(-c2cc(C3CCN(c4ncccc4[N+](=O)[O-])CC3)[nH]n2)c1 ZINC000020405883 568604727 /nfs/dbraw/zinc/60/47/27/568604727.db2.gz AUILCEXTYULELM-UHFFFAOYSA-N 0 0 409.446 3.781 50 5 HHBARN O=C(N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000095939688 568661455 /nfs/dbraw/zinc/66/14/55/568661455.db2.gz DZZRSFRRJMVGND-UHFFFAOYSA-N 0 0 423.517 3.726 50 5 HHBARN CSc1ccc([C@H]2OC(COc3ccc(C)cc3[N+](=O)[O-])=NN2C(C)=O)cc1 ZINC000021090993 568663985 /nfs/dbraw/zinc/66/39/85/568663985.db2.gz QQLAPVOVNWHDHI-LJQANCHMSA-N 0 0 401.444 3.895 50 5 HHBARN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000225712704 568666809 /nfs/dbraw/zinc/66/68/09/568666809.db2.gz IWSBCYHESQAGRF-UHFFFAOYSA-N 0 0 404.379 3.525 50 5 HHBARN COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000000857423 568711670 /nfs/dbraw/zinc/71/16/70/568711670.db2.gz APICFTQVBWHMOV-UHFFFAOYSA-N 0 0 400.416 3.693 50 5 HHBARN COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000855152 568712910 /nfs/dbraw/zinc/71/29/10/568712910.db2.gz FGBMFMFAPZBKKT-INIZCTEOSA-N 0 0 414.892 3.693 50 5 HHBARN O=C(NCCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000096278110 568716449 /nfs/dbraw/zinc/71/64/49/568716449.db2.gz TZICFIFCONLADZ-UHFFFAOYSA-N 0 0 406.320 3.636 50 5 HHBARN COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000866281 568723285 /nfs/dbraw/zinc/72/32/85/568723285.db2.gz HTJBSMRDFHZBSM-UHFFFAOYSA-N 0 0 400.456 3.984 50 5 HHBARN O=C(Cc1ccccc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000990468 568759674 /nfs/dbraw/zinc/75/96/74/568759674.db2.gz GKBATQHVWBZPRO-UHFFFAOYSA-N 0 0 418.405 3.816 50 5 HHBARN O=C(COC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000991323 568759864 /nfs/dbraw/zinc/75/98/64/568759864.db2.gz JFHRFRJVRYYVOW-UHFFFAOYSA-N 0 0 404.378 3.887 50 5 HHBARN O=c1c2ccc3c(=O)n(-c4ccccc4)c(=O)c4ccc(c5nc6ccccc6n51)c2c43 ZINC000000988780 568760707 /nfs/dbraw/zinc/76/07/07/568760707.db2.gz ZYHWTWDLFAKEPJ-UHFFFAOYSA-N 0 0 415.408 3.694 50 5 HHBARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001011098 568762950 /nfs/dbraw/zinc/76/29/50/568762950.db2.gz JMXKXGFFCCKIBC-IUXPMGMMSA-N 0 0 418.402 3.988 50 5 HHBARN O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000001050527 568764843 /nfs/dbraw/zinc/76/48/43/568764843.db2.gz KBCRVGSHHHFSQU-UHFFFAOYSA-N 0 0 403.605 3.820 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000001052188 568764863 /nfs/dbraw/zinc/76/48/63/568764863.db2.gz FVIIMHKIXXHBEC-UHFFFAOYSA-N 0 0 419.187 3.725 50 5 HHBARN COc1ccc(CN(c2ccc3c4c(cccc42)CC3)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000001060868 568765879 /nfs/dbraw/zinc/76/58/79/568765879.db2.gz SIMISKCZJZJLMU-UHFFFAOYSA-N 0 0 412.467 3.821 50 5 HHBARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000001068584 568766029 /nfs/dbraw/zinc/76/60/29/568766029.db2.gz GDPVWQGQJXZNRR-UHFFFAOYSA-N 0 0 421.388 3.794 50 5 HHBARN CCOc1ccc(CN(CC)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000022474700 568768556 /nfs/dbraw/zinc/76/85/56/568768556.db2.gz HMRIMCCYUCVPME-UHFFFAOYSA-N 0 0 402.447 3.891 50 5 HHBARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000052537466 568769695 /nfs/dbraw/zinc/76/96/95/568769695.db2.gz VJEPNNJYMNRRSW-UHFFFAOYSA-N 0 0 409.273 3.662 50 5 HHBARN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc2c1OCO2 ZINC000001145480 568772519 /nfs/dbraw/zinc/77/25/19/568772519.db2.gz YWHBSLWZTJXTMG-LZYBPNLTSA-N 0 0 414.395 3.569 50 5 HHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000001129343 568772848 /nfs/dbraw/zinc/77/28/48/568772848.db2.gz JIIBLTZIFYOGRF-UHFFFAOYSA-N 0 0 423.816 4.000 50 5 HHBARN COc1ccc(OC)c(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000002468372 568772987 /nfs/dbraw/zinc/77/29/87/568772987.db2.gz SDFHVWQKGHERDC-UHFFFAOYSA-N 0 0 414.443 3.529 50 5 HHBARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001134908 568773315 /nfs/dbraw/zinc/77/33/15/568773315.db2.gz QLGDELUNTDHFAW-UHFFFAOYSA-N 0 0 404.879 3.975 50 5 HHBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001137360 568773479 /nfs/dbraw/zinc/77/34/79/568773479.db2.gz SNOZHTGMYJREIJ-UHFFFAOYSA-N 0 0 411.867 3.577 50 5 HHBARN O=C(CNC(=O)c1cccs1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001136651 568773537 /nfs/dbraw/zinc/77/35/37/568773537.db2.gz RRJIDZKPUFZTIW-UHFFFAOYSA-N 0 0 412.423 3.922 50 5 HHBARN O=C(NCC(=O)N1CCCC[C@@H]1c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000225602550 568776042 /nfs/dbraw/zinc/77/60/42/568776042.db2.gz NXWOSZZTELITQS-MRXNPFEDSA-N 0 0 401.850 3.732 50 5 HHBARN C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002617433 568785887 /nfs/dbraw/zinc/78/58/87/568785887.db2.gz NYZTYZKDYSYPDS-GFCCVEGCSA-N 0 0 404.806 3.782 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000002653632 568797150 /nfs/dbraw/zinc/79/71/50/568797150.db2.gz MLWNGEPSBQVXDL-UHFFFAOYSA-N 0 0 417.472 3.929 50 5 HHBARN Cc1nn([C@H](C)C(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] ZINC000002786315 568808552 /nfs/dbraw/zinc/80/85/52/568808552.db2.gz RFOOHZJRYZFJBO-SNVBAGLBSA-N 0 0 404.224 3.610 50 5 HHBARN CN(c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000002856208 568813330 /nfs/dbraw/zinc/81/33/30/568813330.db2.gz AGUSYSMEEWRHHY-UHFFFAOYSA-N 0 0 411.439 3.672 50 5 HHBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1[N+](=O)[O-] ZINC000001174709 568818947 /nfs/dbraw/zinc/81/89/47/568818947.db2.gz RETYHMDPPPRXIM-UHFFFAOYSA-N 0 0 416.503 3.967 50 5 HHBARN COc1cc(OC)c(OC)cc1/C=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O ZINC000002945887 568819915 /nfs/dbraw/zinc/81/99/15/568819915.db2.gz IVNOJJHMYXLYFK-MKMNVTDBSA-N 0 0 418.789 3.619 50 5 HHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000001210952 568824449 /nfs/dbraw/zinc/82/44/49/568824449.db2.gz UIJDYJVBRWCQOW-UHFFFAOYSA-N 0 0 413.345 3.564 50 5 HHBARN CN(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000034853460 568829536 /nfs/dbraw/zinc/82/95/36/568829536.db2.gz OAXHKUGOZAROHL-OAQYLSRUSA-N 0 0 411.458 3.555 50 5 HHBARN CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000002976695 568832574 /nfs/dbraw/zinc/83/25/74/568832574.db2.gz XHGMCVIKCZPQHY-GOSISDBHSA-N 0 0 400.431 3.527 50 5 HHBARN CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl ZINC000002982236 568832989 /nfs/dbraw/zinc/83/29/89/568832989.db2.gz LBXSAFKSZBPHMC-AQTBWJFISA-N 0 0 401.850 3.888 50 5 HHBARN Cc1ccc(C2=NN(C(=O)COc3cccnc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000005971337 568833234 /nfs/dbraw/zinc/83/32/34/568833234.db2.gz ISXBSKBKCGXKKM-QGZVFWFLSA-N 0 0 406.398 3.648 50 5 HHBARN O=C(c1ccc(S(=O)(=O)Cc2ccccc2F)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000003017407 568838766 /nfs/dbraw/zinc/83/87/66/568838766.db2.gz VPJFNSYGVXXQIB-UHFFFAOYSA-N 0 0 420.462 3.724 50 5 HHBARN COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000012559096 568856913 /nfs/dbraw/zinc/85/69/13/568856913.db2.gz PMTJAEANGYPFQN-ZDUSSCGKSA-N 0 0 410.430 3.508 50 5 HHBARN CC(=O)N(c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1)c1ccccc1 ZINC000012561248 568858509 /nfs/dbraw/zinc/85/85/09/568858509.db2.gz BNKNPWUMMAWNRY-UHFFFAOYSA-N 0 0 412.427 3.675 50 5 HHBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ncc(Cl)cc1Cl ZINC000003256721 568868513 /nfs/dbraw/zinc/86/85/13/568868513.db2.gz AEODPIQXVWQWQE-UHFFFAOYSA-N 0 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ZINC000003596457 568918620 /nfs/dbraw/zinc/91/86/20/568918620.db2.gz PTXRZFOQEDWFHB-UHFFFAOYSA-N 0 0 419.488 3.674 50 5 HHBARN O=C(NC1CCCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCc2ccccc21 ZINC000003626191 568920807 /nfs/dbraw/zinc/92/08/07/568920807.db2.gz NJSRDNDLJPFZHO-QFIPXVFZSA-N 0 0 423.469 3.876 50 5 HHBARN Cc1nccc(-c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000001382373 568921870 /nfs/dbraw/zinc/92/18/70/568921870.db2.gz MNWFULODXZMRLB-UHFFFAOYSA-N 0 0 403.847 3.988 50 5 HHBARN O=C(c1cc(C2CC2)nc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031413105 568925792 /nfs/dbraw/zinc/92/57/92/568925792.db2.gz FKGAFPIRPGOFII-UHFFFAOYSA-N 0 0 402.454 3.983 50 5 HHBARN COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000001417352 568935082 /nfs/dbraw/zinc/93/50/82/568935082.db2.gz JVRCQQHMUIURTO-LICLKQGHSA-N 0 0 400.412 3.849 50 5 HHBARN Cc1ccc(NC(=O)N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)cc1Cl ZINC000084183019 568943004 /nfs/dbraw/zinc/94/30/04/568943004.db2.gz XTTNTTKTCDIAHL-UHFFFAOYSA-N 0 0 410.261 3.959 50 5 HHBARN CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000004105445 568943035 /nfs/dbraw/zinc/94/30/35/568943035.db2.gz PSEUSXNUANPSCY-SFHVURJKSA-N 0 0 401.415 3.582 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000084311135 568946004 /nfs/dbraw/zinc/94/60/04/568946004.db2.gz GXLWLDJVZBJEMT-UHFFFAOYSA-N 0 0 409.320 3.866 50 5 HHBARN C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000004300262 568959625 /nfs/dbraw/zinc/95/96/25/568959625.db2.gz GAVSEPKKDLHEFZ-QMMMGPOBSA-N 0 0 403.269 3.772 50 5 HHBARN COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 ZINC000004310951 568960885 /nfs/dbraw/zinc/96/08/85/568960885.db2.gz HZANHBCYVKZQAY-UHFFFAOYSA-N 0 0 405.476 3.912 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000007982169 568963792 /nfs/dbraw/zinc/96/37/92/568963792.db2.gz LFZVBEWCCQCJFV-UHFFFAOYSA-N 0 0 402.476 3.581 50 5 HHBARN C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007988190 568965593 /nfs/dbraw/zinc/96/55/93/568965593.db2.gz HURHZYSTBWSHAR-ZCFIWIBFSA-N 0 0 409.777 3.515 50 5 HHBARN COc1cc(C(=S)N2CCCC2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000008206700 568982680 /nfs/dbraw/zinc/98/26/80/568982680.db2.gz CKXHHMKBNYKICX-UHFFFAOYSA-N 0 0 416.455 3.603 50 5 HHBARN COc1cc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1 ZINC000008393420 568998686 /nfs/dbraw/zinc/99/86/86/568998686.db2.gz BKTGTAPDQPIUCW-UHFFFAOYSA-N 0 0 406.338 3.649 50 5 HHBARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006104120 569002736 /nfs/dbraw/zinc/00/27/36/569002736.db2.gz ORJAXTJGNAEPGO-OAHLLOKOSA-N 0 0 418.471 3.515 50 5 HHBARN Cc1nn(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000006112064 569004807 /nfs/dbraw/zinc/00/48/07/569004807.db2.gz ZLDPPGIJGJYRFI-UHFFFAOYSA-N 0 0 416.441 3.900 50 5 HHBARN COc1ccc([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1[N+](=O)[O-] ZINC000001517314 569011251 /nfs/dbraw/zinc/01/12/51/569011251.db2.gz YNLBDXBHNVKRFK-LJQANCHMSA-N 0 0 412.423 3.598 50 5 HHBARN O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000006143767 569014438 /nfs/dbraw/zinc/01/44/38/569014438.db2.gz LSCLFJXHIZSALZ-HNNXBMFYSA-N 0 0 420.385 3.642 50 5 HHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000006342258 569043692 /nfs/dbraw/zinc/04/36/92/569043692.db2.gz FBDLDXRBLFEPFS-UHFFFAOYSA-N 0 0 419.437 3.585 50 5 HHBARN Cc1cc(C)n(CCN(C(=O)c2ccc([N+](=O)[O-])o2)c2nc3ccccc3s2)n1 ZINC000035597606 569045811 /nfs/dbraw/zinc/04/58/11/569045811.db2.gz ZAQIRJXOYKGLCM-UHFFFAOYSA-N 0 0 411.443 3.958 50 5 HHBARN C[C@@H](NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000001807636 569053592 /nfs/dbraw/zinc/05/35/92/569053592.db2.gz ZMSJFOIOKWSDSB-OAHLLOKOSA-N 0 0 409.442 3.629 50 5 HHBARN CC1CCN(c2ccc(C(=O)NC[C@@H]3COc4ccccc4C3)cc2[N+](=O)[O-])CC1 ZINC000026784340 569056596 /nfs/dbraw/zinc/05/65/96/569056596.db2.gz UBUXWNOVKCPZRP-QGZVFWFLSA-N 0 0 409.486 3.812 50 5 HHBARN COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(OC)c1 ZINC000089434866 569060396 /nfs/dbraw/zinc/06/03/96/569060396.db2.gz HBPWOSNPPPSTMI-UHFFFAOYSA-N 0 0 421.475 3.530 50 5 HHBARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000006509322 569062165 /nfs/dbraw/zinc/06/21/65/569062165.db2.gz LXZFGAJUOIGEGZ-UHFFFAOYSA-N 0 0 412.427 3.694 50 5 HHBARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccco1 ZINC000035845032 569062620 /nfs/dbraw/zinc/06/26/20/569062620.db2.gz PPBPPXQLIARKCI-KRWDZBQOSA-N 0 0 404.382 3.952 50 5 HHBARN CCCn1nc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c2ccccc2c1=O ZINC000006636501 569076629 /nfs/dbraw/zinc/07/66/29/569076629.db2.gz WOWMHFZHTIVDRN-UHFFFAOYSA-N 0 0 409.427 3.577 50 5 HHBARN Cc1cc(C(=O)COc2ncnc3cc([N+](=O)[O-])ccc32)c(C)n1Cc1ccco1 ZINC000006825546 569141367 /nfs/dbraw/zinc/14/13/67/569141367.db2.gz BYRLBFVIYYBIAU-UHFFFAOYSA-N 0 0 406.398 3.859 50 5 HHBARN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065106456 569178760 /nfs/dbraw/zinc/17/87/60/569178760.db2.gz YGJOPSJIEPKZTQ-UHFFFAOYSA-N 0 0 413.231 3.950 50 5 HHBARN Cc1cc(C(=O)Nc2cccc(-n3c(C)nc4ncccc4c3=O)c2)ccc1[N+](=O)[O-] ZINC000007509171 569243649 /nfs/dbraw/zinc/24/36/49/569243649.db2.gz DNIUKEFBXUHQSH-UHFFFAOYSA-N 0 0 415.409 3.558 50 5 HHBARN Cc1cccc2nc(CNC(=O)c3ccc(N4C[C@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000170623484 569249786 /nfs/dbraw/zinc/24/97/86/569249786.db2.gz MZZOBBBXYYIGRH-IYBDPMFKSA-N 0 0 421.501 3.963 50 5 HHBARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000016743497 569262007 /nfs/dbraw/zinc/26/20/07/569262007.db2.gz AUGILPZXRVZGFO-LLVKDONJSA-N 0 0 416.817 3.585 50 5 HHBARN CC(C)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000089893423 569267818 /nfs/dbraw/zinc/26/78/18/569267818.db2.gz MKCGGOZNJSSYDU-UHFFFAOYSA-N 0 0 406.460 3.531 50 5 HHBARN COc1ccc2c3ccc(OC(=O)CNC(=O)OC(C)(C)C)c(C)c3oc(=O)c2c1 ZINC000002091869 569280457 /nfs/dbraw/zinc/28/04/57/569280457.db2.gz CLHRBBPEBQDSML-UHFFFAOYSA-N 0 0 413.426 3.693 50 5 biogenic HHBARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1[N+](=O)[O-] ZINC000002212398 569299347 /nfs/dbraw/zinc/29/93/47/569299347.db2.gz VTLXCEQFDFQYBO-UHFFFAOYSA-N 0 0 411.370 3.710 50 5 HHBARN COc1ccc2nc(NC(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2c1 ZINC000002224872 569312772 /nfs/dbraw/zinc/31/27/72/569312772.db2.gz HKLMYNXMUUCXPL-UHFFFAOYSA-N 0 0 415.456 3.820 50 5 HHBARN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000007853371 569314624 /nfs/dbraw/zinc/31/46/24/569314624.db2.gz DGAUQZZEGGGSSU-LBPRGKRZSA-N 0 0 404.444 3.818 50 5 HHBARN COc1ccc(CCn2c(=O)c3c(=O)c4ccccc4n(C)c3nc2C(C)C)cc1 ZINC000002225807 569314898 /nfs/dbraw/zinc/31/48/98/569314898.db2.gz QQEICMBXMAXSSI-UHFFFAOYSA-N 0 0 403.482 3.623 50 5 HHBARN O=C(OC1COC(c2ccc([N+](=O)[O-])cc2)OC1)c1ccc(Br)cc1 ZINC000002299284 569369707 /nfs/dbraw/zinc/36/97/07/569369707.db2.gz QTCRNDXAELESBN-UHFFFAOYSA-N 0 0 408.204 3.628 50 5 HHBARN Cc1cccc(C)c1NC1=C(Cl)C(=O)O[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000027548926 569372533 /nfs/dbraw/zinc/37/25/33/569372533.db2.gz JMWYMYCYFUSHEV-LJQANCHMSA-N 0 0 402.790 3.814 50 5 HHBARN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000009720342 569393870 /nfs/dbraw/zinc/39/38/70/569393870.db2.gz NCOGXZYPLPDRAP-UHFFFAOYSA-N 0 0 424.693 3.945 50 5 HHBARN CCc1c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000027842746 569398586 /nfs/dbraw/zinc/39/85/86/569398586.db2.gz CFYRXJSCNXPYKO-KRWDZBQOSA-N 0 0 419.485 3.599 50 5 HHBARN CN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000012788867 569403373 /nfs/dbraw/zinc/40/33/73/569403373.db2.gz FOLRFEDHRKEBJM-IBGZPJMESA-N 0 0 411.458 3.556 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012797133 569403458 /nfs/dbraw/zinc/40/34/58/569403458.db2.gz FOGZLGWFTHXKIL-HXUWFJFHSA-N 0 0 420.487 3.740 50 5 HHBARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012971694 569405435 /nfs/dbraw/zinc/40/54/35/569405435.db2.gz BZLCVDWYNYRMGP-GOSISDBHSA-N 0 0 411.458 3.840 50 5 HHBARN COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c([N+](=O)[O-])c(OC)c1OC ZINC000012985319 569405716 /nfs/dbraw/zinc/40/57/16/569405716.db2.gz KAZKCAGOESYUGB-UHFFFAOYSA-N 0 0 415.427 3.996 50 5 HHBARN COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000013003544 569406269 /nfs/dbraw/zinc/40/62/69/569406269.db2.gz RYDMXXFIVWHOMY-GOSISDBHSA-N 0 0 417.368 3.933 50 5 HHBARN C[C@@H](C(=O)OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013015083 569406675 /nfs/dbraw/zinc/40/66/75/569406675.db2.gz HWHKOYAMLYGGOS-JTQLQIEISA-N 0 0 418.254 3.807 50 5 HHBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1I ZINC000013067930 569408498 /nfs/dbraw/zinc/40/84/98/569408498.db2.gz IPXIIAHJVOECRH-UHFFFAOYSA-N 0 0 417.590 3.809 50 5 HHBARN COc1ccccc1NC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000079059081 569426175 /nfs/dbraw/zinc/42/61/75/569426175.db2.gz RONXYTXEPIDIQF-UHFFFAOYSA-N 0 0 409.446 3.730 50 5 HHBARN COc1cccc(OC)c1C(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000008626759 571096338 /nfs/dbraw/zinc/09/63/38/571096338.db2.gz PMTPZSLDHWRZDM-UHFFFAOYSA-N 0 0 414.201 3.881 50 5 HHBARN CCCC(=O)OCCNc1cc(SCc2ccco2)c2nonc2c1[N+](=O)[O-] ZINC000008683034 571101283 /nfs/dbraw/zinc/10/12/83/571101283.db2.gz AFPCFKRBRCPEOR-UHFFFAOYSA-N 0 0 406.420 3.772 50 5 aggregator HHBARN COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC ZINC000039539657 571132865 /nfs/dbraw/zinc/13/28/65/571132865.db2.gz LGIBDFJOSMAOOF-UHFFFAOYSA-N 0 0 407.329 3.714 50 5 HHBARN CN(C)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000040081829 571156209 /nfs/dbraw/zinc/15/62/09/571156209.db2.gz AIUMIDQSTBIHLQ-IBGZPJMESA-N 0 0 419.485 3.713 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000040087603 571158107 /nfs/dbraw/zinc/15/81/07/571158107.db2.gz GNZHROXQHUCQNV-ZDUSSCGKSA-N 0 0 419.384 3.687 50 5 HHBARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000040140899 571192331 /nfs/dbraw/zinc/19/23/31/571192331.db2.gz CCWHNPHLKIUZFO-MRXNPFEDSA-N 0 0 417.487 3.533 50 5 HHBARN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000009511995 571264123 /nfs/dbraw/zinc/26/41/23/571264123.db2.gz IVJFAHSUYYAAEV-MRXNPFEDSA-N 0 0 423.425 3.510 50 5 HHBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000009635875 571275223 /nfs/dbraw/zinc/27/52/23/571275223.db2.gz FVAPYIGTZQYPBP-UHFFFAOYSA-N 0 0 424.276 3.883 50 5 HHBARN Cc1ccc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000009715962 571281678 /nfs/dbraw/zinc/28/16/78/571281678.db2.gz FSOZMFQIFFQYOO-UHFFFAOYSA-N 0 0 418.405 3.930 50 5 HHBARN CCc1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1[N+](=O)[O-] ZINC000006646337 960938865 /nfs/dbraw/zinc/93/88/65/960938865.db2.gz NTLFMJUQQDADSH-NVNXTCNLSA-N 0 0 412.398 3.528 50 5 HHBARN O=C(/C=C\c1cccc(Br)c1)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000033826175 966413216 /nfs/dbraw/zinc/41/32/16/966413216.db2.gz HASNUQBKKCFRAR-FPLPWBNLSA-N 0 0 405.204 3.552 50 5 HHBARN COc1cc(OC)c(C2=CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000096932011 969057648 /nfs/dbraw/zinc/05/76/48/969057648.db2.gz YCXSNNPWGQTDFP-TWGQIWQCSA-N 0 0 424.453 3.950 50 5 HHBARN COc1cc(/C=C\C(=O)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000096940846 969058452 /nfs/dbraw/zinc/05/84/52/969058452.db2.gz QCGXSDYZDSWPPC-IHWYPQMZSA-N 0 0 410.398 3.864 50 5 HHBARN Cc1ccc(N2CCN(C(=O)c3cccn4c(=O)c5ccccc5nc34)C[C@@H]2C)cc1 ZINC000002957250 132260568 /nfs/dbraw/zinc/26/05/68/132260568.db2.gz FXTSETJTAVBHGV-SFHVURJKSA-N 0 0 412.493 3.507 50 5 HHBARN CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 ZINC000004687951 132283464 /nfs/dbraw/zinc/28/34/64/132283464.db2.gz HJOAKKNXIIZQPH-UHFFFAOYSA-N 0 0 422.529 3.852 50 5 HHBARN COc1ccc(OC)c2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000004982178 132297656 /nfs/dbraw/zinc/29/76/56/132297656.db2.gz QYHFBPOCEOXMPA-UHFFFAOYSA-N 0 0 408.458 3.795 50 5 HHBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCc2ccccc21 ZINC000005449697 132305804 /nfs/dbraw/zinc/30/58/04/132305804.db2.gz RBFVTYZDBIBTGB-UHFFFAOYSA-N 0 0 406.394 3.991 50 5 HHBARN O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)cc1F ZINC000009186060 132336840 /nfs/dbraw/zinc/33/68/40/132336840.db2.gz HMPPEPRKOKIITG-UHFFFAOYSA-N 0 0 419.384 3.659 50 5 HHBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000030560923 132496948 /nfs/dbraw/zinc/49/69/48/132496948.db2.gz RIJLBJWZLWJEBZ-AWEZNQCLSA-N 0 0 424.457 3.803 50 5 HHBARN Cc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000032930125 524220201 /nfs/dbraw/zinc/22/02/01/524220201.db2.gz YWZVHVATIIIOFX-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN O=C(NCc1ccc(Br)cc1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329393 526652521 /nfs/dbraw/zinc/65/25/21/526652521.db2.gz VRWSMTYJKSFSAA-UHFFFAOYSA-N 0 0 401.220 3.677 50 5 HHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000032906152 527037919 /nfs/dbraw/zinc/03/79/19/527037919.db2.gz UQFZQNBRUREHQI-UHFFFAOYSA-N 0 0 403.479 3.561 50 5 HHBARN O=C(CN1CCCCC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000035324100 557513991 /nfs/dbraw/zinc/51/39/91/557513991.db2.gz FMDVSHITXHEWIO-UHFFFAOYSA-N 0 0 421.089 3.544 50 5 HHBARN CC(=O)Oc1cn(-c2ccc(OC(C)=O)cc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005236129 557641036 /nfs/dbraw/zinc/64/10/36/557641036.db2.gz UTZWYMGISAQBEP-UHFFFAOYSA-N 0 0 414.421 3.985 50 5 HHBARN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 ZINC000008071496 557771856 /nfs/dbraw/zinc/77/18/56/557771856.db2.gz ATRYJTDSFVOCPC-UHFFFAOYSA-N 0 0 408.443 3.884 50 5 HHBARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000004321609 557850039 /nfs/dbraw/zinc/85/00/39/557850039.db2.gz CKYTVPVCHBCIDF-MRXNPFEDSA-N 0 0 405.794 3.699 50 5 HHBARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000012447578 558591045 /nfs/dbraw/zinc/59/10/45/558591045.db2.gz LWLVUXBYPGXFKR-DEOSSOPVSA-N 0 0 416.433 3.911 50 5 HHBARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc21 ZINC000016749580 558804423 /nfs/dbraw/zinc/80/44/23/558804423.db2.gz SXSKABYWQVFKEM-NSHDSACASA-N 0 0 416.817 3.585 50 5 HHBARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]21 ZINC000017987611 558829229 /nfs/dbraw/zinc/82/92/29/558829229.db2.gz FTBGEBZVDYQPMO-UPRAQXHNSA-N 0 0 406.394 3.516 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1C ZINC000010630194 558830713 /nfs/dbraw/zinc/83/07/13/558830713.db2.gz WKZPTNDWBLJWNU-KRWDZBQOSA-N 0 0 400.460 3.614 50 5 HHBARN O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000072328753 558864397 /nfs/dbraw/zinc/86/43/97/558864397.db2.gz GMSYYPBPQMQXNT-UHFFFAOYSA-N 0 0 411.849 3.601 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C ZINC000004652829 558868730 /nfs/dbraw/zinc/86/87/30/558868730.db2.gz HZKLKUVUWDWUPV-RNODOKPDSA-N 0 0 413.503 3.994 50 5 HHBARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3cc(OC)ccc32)c(OC)c1 ZINC000004660024 558873645 /nfs/dbraw/zinc/87/36/45/558873645.db2.gz AXEACYLAFFBXGR-UHFFFAOYSA-N 0 0 418.449 3.819 50 5 HHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000013882183 558889416 /nfs/dbraw/zinc/88/94/16/558889416.db2.gz LJJNKGFMSLLFBY-ORMMXULVSA-N 0 0 419.844 3.913 50 5 HHBARN O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000004694016 558904001 /nfs/dbraw/zinc/90/40/01/558904001.db2.gz PEHKTGUVQCNAPT-UHFFFAOYSA-N 0 0 405.863 3.792 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000004704200 558906624 /nfs/dbraw/zinc/90/66/24/558906624.db2.gz XXZODCRTVHCVCE-QGZVFWFLSA-N 0 0 410.821 3.767 50 5 HHBARN COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000004735845 559009606 /nfs/dbraw/zinc/00/96/06/559009606.db2.gz FYWGTCVIFCANIF-UHFFFAOYSA-N 0 0 401.400 3.637 50 5 HHBARN CCCCSCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023114493 559011363 /nfs/dbraw/zinc/01/13/63/559011363.db2.gz FODBERRJDSKNCP-UHFFFAOYSA-N 0 0 408.501 3.899 50 5 HHBARN Cc1cccc([N+](=O)[O-])c1C(=O)OCc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000011659025 559124010 /nfs/dbraw/zinc/12/40/10/559124010.db2.gz FXRPTLWGBGJVJX-UHFFFAOYSA-N 0 0 419.393 3.611 50 5 HHBARN CN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N(C)C1=S ZINC000004881530 559196642 /nfs/dbraw/zinc/19/66/42/559196642.db2.gz SMBCCHHEQUXAIC-ODLFYWEKSA-N 0 0 406.467 3.627 50 5 HHBARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)c1 ZINC000004882413 559197230 /nfs/dbraw/zinc/19/72/30/559197230.db2.gz FXACJUWMWPCCDL-UHFFFAOYSA-N 0 0 407.451 3.787 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCC(=O)c1ccccc1Cl ZINC000004912949 559202796 /nfs/dbraw/zinc/20/27/96/559202796.db2.gz BZYJVYZLTYBWQQ-UHFFFAOYSA-N 0 0 404.806 3.701 50 5 HHBARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000004928826 559207253 /nfs/dbraw/zinc/20/72/53/559207253.db2.gz LNPFWPQKVRPLBQ-IBGZPJMESA-N 0 0 406.398 3.553 50 5 HHBARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024238148 559279783 /nfs/dbraw/zinc/27/97/83/559279783.db2.gz DNYMGKJVEBOMBM-UHFFFAOYSA-N 0 0 415.837 3.929 50 5 HHBARN COc1ccc(-c2noc(CN(C(=O)Cc3ccccc3[N+](=O)[O-])C(C)C)n2)cc1 ZINC000005354344 560569372 /nfs/dbraw/zinc/56/93/72/560569372.db2.gz LEHMZRAOLOVEFW-UHFFFAOYSA-N 0 0 410.430 3.633 50 5 HHBARN Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc3oc12 ZINC000005425350 560585129 /nfs/dbraw/zinc/58/51/29/560585129.db2.gz ZKTDWPOVMYLALE-GFCCVEGCSA-N 0 0 413.426 3.779 50 5 HHBARN Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000002660299 560587369 /nfs/dbraw/zinc/58/73/69/560587369.db2.gz AIWVUVYONJKCRG-UHFFFAOYSA-N 0 0 403.441 3.884 50 5 HHBARN COc1cccc(CCNc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])c1 ZINC000102782618 560827376 /nfs/dbraw/zinc/82/73/76/560827376.db2.gz VCRYWVFCPRYFCW-KDURUIRLSA-N 0 0 423.469 3.938 50 5 HHBARN COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000024507211 560841768 /nfs/dbraw/zinc/84/17/68/560841768.db2.gz HBDDXWLNGXSDHS-UHFFFAOYSA-N 0 0 423.429 3.758 50 5 HHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000104220666 560850015 /nfs/dbraw/zinc/85/00/15/560850015.db2.gz RRGYGPQLXADGBK-DJKHGBOQSA-N 0 0 402.450 3.855 50 5 HHBARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000000673102 568460629 /nfs/dbraw/zinc/46/06/29/568460629.db2.gz ZGVHXJDCRWBYGT-UHFFFAOYSA-N 0 0 404.348 3.788 50 5 HHBARN Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1 ZINC000000820129 568497869 /nfs/dbraw/zinc/49/78/69/568497869.db2.gz JIJAFZZYHQNXDS-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN O=C(Nc1ccc(Cl)cn1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000000822792 568497878 /nfs/dbraw/zinc/49/78/78/568497878.db2.gz LCOPIOYUUQEZDU-UHFFFAOYSA-N 0 0 422.784 3.696 50 5 HHBARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 ZINC000000825510 568497933 /nfs/dbraw/zinc/49/79/33/568497933.db2.gz BQOXKADXLYUJLY-UHFFFAOYSA-N 0 0 421.335 3.945 50 5 HHBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)c2nonc21 ZINC000020606262 568635570 /nfs/dbraw/zinc/63/55/70/568635570.db2.gz VWYYUHCNZLRBHP-CYBMUJFWSA-N 0 0 411.418 3.527 50 5 HHBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000021106974 568667208 /nfs/dbraw/zinc/66/72/08/568667208.db2.gz UACLGMVPQNDGLW-FQEVSTJZSA-N 0 0 408.389 3.904 50 5 HHBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000021106893 568667295 /nfs/dbraw/zinc/66/72/95/568667295.db2.gz FJDFKZYZLMMWAG-NRFANRHFSA-N 0 0 420.425 3.774 50 5 HHBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000021106970 568667325 /nfs/dbraw/zinc/66/73/25/568667325.db2.gz UACLGMVPQNDGLW-HXUWFJFHSA-N 0 0 408.389 3.904 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1COC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000021368317 568691760 /nfs/dbraw/zinc/69/17/60/568691760.db2.gz MUWQHHSEUPUZDT-UHFFFAOYSA-N 0 0 409.320 3.715 50 5 HHBARN COc1ccc(CCNc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000096236002 568708313 /nfs/dbraw/zinc/70/83/13/568708313.db2.gz PWTDAACIJVREHV-KDURUIRLSA-N 0 0 423.469 3.938 50 5 HHBARN COc1ccc(CCNc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000096236003 568708362 /nfs/dbraw/zinc/70/83/62/568708362.db2.gz PWTDAACIJVREHV-OALUTQOASA-N 0 0 423.469 3.938 50 5 HHBARN O=C(NCc1ccccc1)c1ccccc1Nc1ccn2c(n1)nc1ccccc1c2=O ZINC000000848446 568711039 /nfs/dbraw/zinc/71/10/39/568711039.db2.gz LMVLCYYZUMUNDP-UHFFFAOYSA-N 0 0 421.460 3.916 50 5 biogenic HHBARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000000884551 568738543 /nfs/dbraw/zinc/73/85/43/568738543.db2.gz TYBGRTSTPCRKPE-UHFFFAOYSA-N 0 0 416.869 3.562 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951170 568756760 /nfs/dbraw/zinc/75/67/60/568756760.db2.gz GJFCOWSVYIOAJW-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN O=C(c1ccccc1[N+](=O)[O-])N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000096562507 568760479 /nfs/dbraw/zinc/76/04/79/568760479.db2.gz UYWNMNGJAFLSFA-MRXNPFEDSA-N 0 0 413.739 3.858 50 5 HHBARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000025275201 568762197 /nfs/dbraw/zinc/76/21/97/568762197.db2.gz GUXBSSXWRDAFHJ-UHFFFAOYSA-N 0 0 400.391 3.689 50 5 HHBARN COc1cc(C=O)cc(I)c1OCc1ccccc1[N+](=O)[O-] ZINC000001053167 568765045 /nfs/dbraw/zinc/76/50/45/568765045.db2.gz NJCKLLDJBPSQHJ-UHFFFAOYSA-N 0 0 413.167 3.600 50 5 HHBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001070349 568765189 /nfs/dbraw/zinc/76/51/89/568765189.db2.gz UMIXQNCLPGKKQR-UHFFFAOYSA-N 0 0 407.146 3.520 50 5 HHBARN Cc1cc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)ccc1[N+](=O)[O-] ZINC000001060293 568765877 /nfs/dbraw/zinc/76/58/77/568765877.db2.gz XUCZTDFHBKBJQS-YBFXNURJSA-N 0 0 403.419 3.934 50 5 HHBARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000001083238 568767751 /nfs/dbraw/zinc/76/77/51/568767751.db2.gz PDNDKFOWIFAYBX-DEOSSOPVSA-N 0 0 416.433 3.645 50 5 HHBARN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000001111857 568770569 /nfs/dbraw/zinc/77/05/69/568770569.db2.gz FEEAXGKRMMWLCM-UHFFFAOYSA-N 0 0 405.341 3.787 50 5 HHBARN CCOC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000001116076 568770698 /nfs/dbraw/zinc/77/06/98/568770698.db2.gz AKNQMFXDKMQQDQ-UHFFFAOYSA-N 0 0 422.231 3.820 50 5 HHBARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000001118393 568770788 /nfs/dbraw/zinc/77/07/88/568770788.db2.gz JKTVOHNYGUTRJQ-AWEZNQCLSA-N 0 0 401.488 3.995 50 5 HHBARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000001144644 568772489 /nfs/dbraw/zinc/77/24/89/568772489.db2.gz IMQOSURYRDIJGC-DEOSSOPVSA-N 0 0 416.433 3.645 50 5 HHBARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001133437 568773305 /nfs/dbraw/zinc/77/33/05/568773305.db2.gz GNWMUIFRBHOLAT-UHFFFAOYSA-N 0 0 405.813 3.878 50 5 HHBARN O=C1[C@@H]2[C@H](C(=O)N1C1CCCCC1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001155305 568774304 /nfs/dbraw/zinc/77/43/04/568774304.db2.gz KFFXKXIUYISEFM-CAZKKTPXSA-N 0 0 402.450 3.600 50 5 HHBARN Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] ZINC000001165320 568775699 /nfs/dbraw/zinc/77/56/99/568775699.db2.gz FLPVNZQVSTWMSQ-UHFFFAOYSA-N 0 0 400.460 3.625 50 5 HHBARN O=C(NC1CCCCC1)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000002767279 568807636 /nfs/dbraw/zinc/80/76/36/568807636.db2.gz HSRSZNAPWVKHPU-UHFFFAOYSA-N 0 0 407.268 3.665 50 5 HHBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)n1 ZINC000002785476 568808293 /nfs/dbraw/zinc/80/82/93/568808293.db2.gz YSEUHRKINHZWFR-UHFFFAOYSA-N 0 0 420.832 3.718 50 5 HHBARN O=[N+]([O-])c1cnn(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)c1 ZINC000002787791 568808577 /nfs/dbraw/zinc/80/85/77/568808577.db2.gz AOHPHDHOXUMCRA-UHFFFAOYSA-N 0 0 421.442 3.631 50 5 HHBARN CCOC(=O)c1ccc(COC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000002850537 568813069 /nfs/dbraw/zinc/81/30/69/568813069.db2.gz SUXFTVGLJHTJTJ-UHFFFAOYSA-N 0 0 408.204 3.891 50 5 HHBARN O=C(Nc1ccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3)n2)cc1)c1ccccn1 ZINC000002930965 568818329 /nfs/dbraw/zinc/81/83/29/568818329.db2.gz NJKQXRBKCQXGIG-UHFFFAOYSA-N 0 0 401.382 3.883 50 5 HHBARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(COCC(F)(F)C(F)F)cc2)c1 ZINC000015231415 568820983 /nfs/dbraw/zinc/82/09/83/568820983.db2.gz PKDPLSJTUVEFDJ-UHFFFAOYSA-N 0 0 422.356 3.813 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000001189421 568822126 /nfs/dbraw/zinc/82/21/26/568822126.db2.gz ZZLGUAHGVQBRNE-QGZVFWFLSA-N 0 0 416.890 3.988 50 5 HHBARN CN(C)C(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 ZINC000001190403 568822738 /nfs/dbraw/zinc/82/27/38/568822738.db2.gz IAAXQQJYRUAEKY-RGEXLXHISA-N 0 0 405.410 3.714 50 5 HHBARN COc1ccc(-c2noc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)cc1OC ZINC000057378435 568830245 /nfs/dbraw/zinc/83/02/45/568830245.db2.gz ULGPGQVUWMYCPD-UHFFFAOYSA-N 0 0 418.837 3.947 50 5 HHBARN Cc1ccc(CS(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000003017486 568838704 /nfs/dbraw/zinc/83/87/04/568838704.db2.gz YWBZKKOETSJBFR-UHFFFAOYSA-N 0 0 402.472 3.503 50 5 HHBARN CC(C)CCNC(=O)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020400 568840169 /nfs/dbraw/zinc/84/01/69/568840169.db2.gz WQMNJTSALKNETI-UHFFFAOYSA-N 0 0 410.879 3.857 50 5 HHBARN Cc1nc(Cc2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)cs1 ZINC000058024672 568878084 /nfs/dbraw/zinc/87/80/84/568878084.db2.gz ONOYFWIQTFDIHJ-UHFFFAOYSA-N 0 0 416.444 3.676 50 5 HHBARN CC(C)NS(=O)(=O)c1ccc(Nc2cc(F)cc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000058210041 568899687 /nfs/dbraw/zinc/89/96/87/568899687.db2.gz NPOGZSAORVPEDX-UHFFFAOYSA-N 0 0 422.482 3.764 50 5 HHBARN CCOC(=O)c1oc2ccccc2c1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000058230935 568903646 /nfs/dbraw/zinc/90/36/46/568903646.db2.gz ALEGIEDPEOHYAB-UHFFFAOYSA-N 0 0 418.427 3.533 50 5 HHBARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 ZINC000031034731 568910225 /nfs/dbraw/zinc/91/02/25/568910225.db2.gz AETWHJMOJYHULR-CYBMUJFWSA-N 0 0 402.472 3.678 50 5 HHBARN COc1cc(CSc2nnnn2-c2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000012698428 568916849 /nfs/dbraw/zinc/91/68/49/568916849.db2.gz DAYBYQJFHOTDNV-UHFFFAOYSA-N 0 0 423.401 3.781 50 5 HHBARN O=C(NC1CCCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCc2ccccc21 ZINC000003626194 568920761 /nfs/dbraw/zinc/92/07/61/568920761.db2.gz NJSRDNDLJPFZHO-JOCHJYFZSA-N 0 0 423.469 3.876 50 5 HHBARN Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000012738764 568926436 /nfs/dbraw/zinc/92/64/36/568926436.db2.gz GEXWMDVDBCPCEM-UHFFFAOYSA-N 0 0 423.513 3.813 50 5 HHBARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000019192746 568936391 /nfs/dbraw/zinc/93/63/91/568936391.db2.gz FUMLSQYJCDPRIQ-UHFFFAOYSA-N 0 0 416.459 3.832 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C(=O)CCC3 ZINC000004149956 568946737 /nfs/dbraw/zinc/94/67/37/568946737.db2.gz CAACACFNSLYFKT-UHFFFAOYSA-N 0 0 400.412 3.969 50 5 HHBARN O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000004158471 568946931 /nfs/dbraw/zinc/94/69/31/568946931.db2.gz JICDZAAVBRZTCD-UHFFFAOYSA-N 0 0 413.411 3.948 50 5 HHBARN CCCCOc1ccc(C(=O)OCC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000015554593 568948707 /nfs/dbraw/zinc/94/87/07/568948707.db2.gz BGSKFACRDVARKY-UHFFFAOYSA-N 0 0 412.442 3.910 50 5 HHBARN Cc1cc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C ZINC000012766748 568948709 /nfs/dbraw/zinc/94/87/09/568948709.db2.gz ZHVRFJZJYRPRMT-KRWDZBQOSA-N 0 0 410.474 3.501 50 5 HHBARN 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Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000089669165 569262365 /nfs/dbraw/zinc/26/23/65/569262365.db2.gz UCCMHIHSNRILFW-QFIPXVFZSA-N 0 0 405.454 3.861 50 5 HHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccc(F)cc2)c1 ZINC000007573930 569266276 /nfs/dbraw/zinc/26/62/76/569266276.db2.gz DKUJLACMSIGKAO-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN O=C(Nc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000027207297 569287606 /nfs/dbraw/zinc/28/76/06/569287606.db2.gz WULDWFXSMDAQJS-IBGZPJMESA-N 0 0 408.410 3.666 50 5 HHBARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nccs1 ZINC000002246701 569323459 /nfs/dbraw/zinc/32/34/59/569323459.db2.gz PUXXSRDVAMYXPM-MRXNPFEDSA-N 0 0 405.391 3.908 50 5 HHBARN CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002251763 569324068 /nfs/dbraw/zinc/32/40/68/569324068.db2.gz LFEPLMKZOTYFFP-ZBFHGGJFSA-N 0 0 403.460 3.585 50 5 HHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(I)cc1 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XQYNEMVIEBRYJC-JKSUJKDBSA-N 0 0 420.469 3.552 50 5 HHBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1[N+](=O)[O-] ZINC000012619435 569402161 /nfs/dbraw/zinc/40/21/61/569402161.db2.gz BQFKLOPDURKNCZ-YVLHZVERSA-N 0 0 421.438 3.595 50 5 HHBARN CC1=NC(=S)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1 ZINC000012763199 569403173 /nfs/dbraw/zinc/40/31/73/569403173.db2.gz CCZKLIOOLDBGIE-KRWDZBQOSA-N 0 0 417.874 3.784 50 5 HHBARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1cccnc1 ZINC000013213591 569410326 /nfs/dbraw/zinc/41/03/26/569410326.db2.gz WNUSZMIYQGDFOD-HXUWFJFHSA-N 0 0 413.389 3.842 50 5 HHBARN CC[C@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000018324604 569414029 /nfs/dbraw/zinc/41/40/29/569414029.db2.gz DTRAZJRUFOWLIL-HNNXBMFYSA-N 0 0 408.443 3.924 50 5 HHBARN CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000078967968 569422272 /nfs/dbraw/zinc/42/22/72/569422272.db2.gz YORVXQDJBGOWDH-LBPRGKRZSA-N 0 0 400.273 3.851 50 5 HHBARN CNS(=O)(=O)c1ccc(N[C@H](c2cccc(OC)c2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000079023788 569424651 /nfs/dbraw/zinc/42/46/51/569424651.db2.gz PFQUPHOAXZLEHO-GOSISDBHSA-N 0 0 407.492 3.711 50 5 HHBARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000019683153 569428389 /nfs/dbraw/zinc/42/83/89/569428389.db2.gz YKMDBUSNGMKVMZ-UHFFFAOYSA-N 0 0 407.426 3.939 50 5 HHBARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1cccc([N+](=O)[O-])c1)CCCS3 ZINC000008738983 571109161 /nfs/dbraw/zinc/10/91/61/571109161.db2.gz DSFMWIFYTJIJCJ-UHFFFAOYSA-N 0 0 422.466 3.812 50 5 HHBARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000008767297 571116026 /nfs/dbraw/zinc/11/60/26/571116026.db2.gz AXIIBQKSUSBZNW-MRXNPFEDSA-N 0 0 420.853 3.819 50 5 HHBARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008826768 571122145 /nfs/dbraw/zinc/12/21/45/571122145.db2.gz OQZIJFOCEALCCE-UHFFFAOYSA-N 0 0 414.834 3.799 50 5 HHBARN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2nc3ccccc3s2)cc1OC 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/nfs/dbraw/zinc/18/30/82/571183082.db2.gz LJIGELUUDDVDBF-UHFFFAOYSA-N 0 0 402.403 3.847 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154693 571201724 /nfs/dbraw/zinc/20/17/24/571201724.db2.gz OWCHBYNTAGFZKE-DJJJIMSYSA-N 0 0 419.865 3.657 50 5 HHBARN Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c(C)c1[N+](=O)[O-] ZINC000008985750 571205721 /nfs/dbraw/zinc/20/57/21/571205721.db2.gz GVKPPGKQEWIXTB-CQSZACIVSA-N 0 0 415.500 3.909 50 5 HHBARN CC(C)OC(=O)C[C@@H](NC(=O)N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000009112193 571223429 /nfs/dbraw/zinc/22/34/29/571223429.db2.gz RHRCLFAJOPTVMI-LJQANCHMSA-N 0 0 411.458 3.746 50 5 HHBARN Cc1ccc(-n2nnnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000009120089 571225186 /nfs/dbraw/zinc/22/51/86/571225186.db2.gz XWIMTNPYBSBHGV-UHFFFAOYSA-N 0 0 409.431 3.530 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc2ccccc2s1 ZINC000009244993 571241207 /nfs/dbraw/zinc/24/12/07/571241207.db2.gz ZLNGUMFZXZVHSR-UHFFFAOYSA-N 0 0 419.484 3.568 50 5 HHBARN Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000009569524 571268562 /nfs/dbraw/zinc/26/85/62/571268562.db2.gz DNLXMXVPLUKHBF-UHFFFAOYSA-N 0 0 421.475 3.687 50 5 HHBARN COc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc([N+](=O)[O-])c2)c1 ZINC000009667702 571278141 /nfs/dbraw/zinc/27/81/41/571278141.db2.gz DCQIGEZWUWLBTJ-UHFFFAOYSA-N 0 0 419.397 3.756 50 5 HHBARN O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000009667698 571278212 /nfs/dbraw/zinc/27/82/12/571278212.db2.gz CBRCAOTTYBNFBF-UHFFFAOYSA-N 0 0 419.397 3.778 50 5 HHBARN COc1cccc(-c2ccc3nnc(SCC(=O)c4cccc([N+](=O)[O-])c4)n3n2)c1 ZINC000009829149 571287126 /nfs/dbraw/zinc/28/71/26/571287126.db2.gz QTBIDFAHWYQKMF-UHFFFAOYSA-N 0 0 421.438 3.683 50 5 HHBARN Cc1ccc2nc(NC(=O)c3cccn(Cc4cccc([N+](=O)[O-])c4)c3=O)sc2c1 ZINC000010187823 571296232 /nfs/dbraw/zinc/29/62/32/571296232.db2.gz VJFOMEFXNOQUAN-UHFFFAOYSA-N 0 0 420.450 3.975 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000010188114 571296336 /nfs/dbraw/zinc/29/63/36/571296336.db2.gz HNZQKUDLLXOYJZ-UHFFFAOYSA-N 0 0 418.384 3.744 50 5 HHBARN O=C(/C=C/c1nc2ccccc2s1)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000002630070 960472050 /nfs/dbraw/zinc/47/20/50/960472050.db2.gz VKPFQGNYAJALMC-BQYQJAHWSA-N 0 0 401.375 3.539 50 5 HHBARN COc1cc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-] ZINC000005127742 960656164 /nfs/dbraw/zinc/65/61/64/960656164.db2.gz ZMMYSTNDDVRART-VMPITWQZSA-N 0 0 404.806 3.760 50 5 HHBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1CCc1ccc(Cl)cc1 ZINC000005823000 960788186 /nfs/dbraw/zinc/78/81/86/960788186.db2.gz UMSBACQJXGKQLJ-UHFFFAOYSA-N 0 0 413.861 3.954 50 5 HHBARN O=C(/C=C/c1ccc(Br)o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000006066054 960828467 /nfs/dbraw/zinc/82/84/67/960828467.db2.gz JEZCRVMRXUPNDA-DUXPYHPUSA-N 0 0 410.176 3.573 50 5 HHBARN O=C(/C=C\c1ccc(OC(F)F)cc1)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000033601169 966410681 /nfs/dbraw/zinc/41/06/81/966410681.db2.gz YYKMBQIJOFAPLC-BAQGIRSFSA-N 0 0 410.304 3.530 50 5 HHBARN O=C(/C=C\c1ccc(Br)o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000033792848 966412934 /nfs/dbraw/zinc/41/29/34/966412934.db2.gz JEZCRVMRXUPNDA-RQOWECAXSA-N 0 0 410.176 3.573 50 5 HHBARN O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1N1CCOCC1 ZINC000034828191 966416497 /nfs/dbraw/zinc/41/64/97/966416497.db2.gz PBRIGMVCOBVHAR-YVMONPNESA-N 0 0 419.384 3.685 50 5 HHBARN CCN(CC)c1cc(N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])cc1F ZINC000004701544 132283664 /nfs/dbraw/zinc/28/36/64/132283664.db2.gz PESBOIWNFKLORY-UHFFFAOYSA-N 0 0 418.444 3.682 50 5 HHBARN O=C(COc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004810412 132289201 /nfs/dbraw/zinc/28/92/01/132289201.db2.gz ZMPVECNGGXXUOQ-UHFFFAOYSA-N 0 0 410.257 3.629 50 5 HHBARN Cc1cccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000004885782 132291776 /nfs/dbraw/zinc/29/17/76/132291776.db2.gz TZZPNYCYRRQXJX-UHFFFAOYSA-N 0 0 405.458 3.564 50 5 HHBARN C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 ZINC000005487288 132306319 /nfs/dbraw/zinc/30/63/19/132306319.db2.gz LDBQBHPUVKAVTG-IRXDYDNUSA-N 0 0 424.549 3.908 50 5 HHBARN CC(C)(C)c1noc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000012522030 132361655 /nfs/dbraw/zinc/36/16/55/132361655.db2.gz YNQPOLYAMXWXLF-UHFFFAOYSA-N 0 0 413.400 3.616 50 5 HHBARN O=C(CSc1nnc(-c2cccs2)o1)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000012768792 132366834 /nfs/dbraw/zinc/36/68/34/132366834.db2.gz FQBKNEFBBDBRLB-UHFFFAOYSA-N 0 0 402.457 3.778 50 5 HHBARN Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015534254 132461747 /nfs/dbraw/zinc/46/17/47/132461747.db2.gz JXSXHDADQSNEPS-UHFFFAOYSA-N 0 0 424.284 3.938 50 5 HHBARN O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000016384502 132463843 /nfs/dbraw/zinc/46/38/43/132463843.db2.gz AFOKREIUUQFDNW-UHFFFAOYSA-N 0 0 419.894 3.760 50 5 HHBARN CCN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000018831134 132466240 /nfs/dbraw/zinc/46/62/40/132466240.db2.gz YELKPRNCQGFEAY-UHFFFAOYSA-N 0 0 409.895 3.809 50 5 HHBARN CCc1nnc2sc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 ZINC000008071499 557771825 /nfs/dbraw/zinc/77/18/25/557771825.db2.gz WYJGUXDFBJNZTP-UHFFFAOYSA-N 0 0 408.443 3.884 50 5 HHBARN Cc1ccc(NC(=O)NC(=O)Cn2cnc3cc4ccccc4cc3c2=O)c(C)c1 ZINC000024324548 558594952 /nfs/dbraw/zinc/59/49/52/558594952.db2.gz HDZJFBPCJRZIJI-UHFFFAOYSA-N 0 0 400.438 3.515 50 5 HHBARN O=[N+]([O-])c1ccc(Cl)cc1NCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000004565475 558728907 /nfs/dbraw/zinc/72/89/07/558728907.db2.gz CUSJQTVDGIKFRO-UHFFFAOYSA-N 0 0 405.863 3.792 50 5 HHBARN CCOc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004600044 558835419 /nfs/dbraw/zinc/83/54/19/558835419.db2.gz JZULIDNPMVGANG-UHFFFAOYSA-N 0 0 400.456 3.984 50 5 HHBARN Cc1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013730254 558861290 /nfs/dbraw/zinc/86/12/90/558861290.db2.gz SNVPRVUXFGSKKP-NRFANRHFSA-N 0 0 401.426 3.896 50 5 HHBARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004690923 558900373 /nfs/dbraw/zinc/90/03/73/558900373.db2.gz MVEXMVYMMOCKAD-UHFFFAOYSA-N 0 0 413.459 3.516 50 5 HHBARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004644965 558956581 /nfs/dbraw/zinc/95/65/81/558956581.db2.gz SYVGUFPMISAAKO-SXYIGIQMSA-N 0 0 413.518 3.778 50 5 HHBARN O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000004729873 558986470 /nfs/dbraw/zinc/98/64/70/558986470.db2.gz JVQZRXIZNNLBFW-RCCKNPSSSA-N 0 0 401.422 3.682 50 5 HHBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)c1ccc(Br)cc1 ZINC000004743415 559044825 /nfs/dbraw/zinc/04/48/25/559044825.db2.gz OSWIUNFBOYYDHZ-QGZVFWFLSA-N 0 0 404.220 3.771 50 5 HHBARN C[C@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000033325268 559058748 /nfs/dbraw/zinc/05/87/48/559058748.db2.gz IRSIVZNYIXZEEH-HNNXBMFYSA-N 0 0 422.441 3.949 50 5 HHBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000004833086 559164491 /nfs/dbraw/zinc/16/44/91/559164491.db2.gz WVLQZTIJJGTYEL-UHFFFAOYSA-N 0 0 417.487 3.720 50 5 HHBARN C[C@H](OC[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000023389752 559173623 /nfs/dbraw/zinc/17/36/23/559173623.db2.gz BVVGIYYPRHOYME-LPHOPBHVSA-N 0 0 419.909 3.509 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000050534785 559187289 /nfs/dbraw/zinc/18/72/89/559187289.db2.gz YGHQISFFYXTNJL-UHFFFAOYSA-N 0 0 407.517 3.566 50 5 HHBARN O=c1c2ccccc2nc(Cc2cccc([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004872100 559194476 /nfs/dbraw/zinc/19/44/76/559194476.db2.gz JKGDTPACLTZYIN-UHFFFAOYSA-N 0 0 402.366 3.793 50 5 HHBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1c(F)cc(F)cc1Br ZINC000004873792 559194803 /nfs/dbraw/zinc/19/48/03/559194803.db2.gz QFXCMZSRZHHRCR-UHFFFAOYSA-N 0 0 403.183 3.559 50 5 HHBARN COc1cc2nc(SCc3cccc([N+](=O)[O-])c3)n3nc(C)nc3c2cc1OC ZINC000005005748 559227098 /nfs/dbraw/zinc/22/70/98/559227098.db2.gz HZPHIDNBZFMUAM-UHFFFAOYSA-N 0 0 411.443 3.804 50 5 HHBARN COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005027927 559229677 /nfs/dbraw/zinc/22/96/77/559229677.db2.gz GWHUTOVJHGPQPV-UHFFFAOYSA-N 0 0 412.423 3.639 50 5 HHBARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 ZINC000100580377 559235484 /nfs/dbraw/zinc/23/54/84/559235484.db2.gz MXMQSSRBPPKJAF-ZNZDAUKMSA-N 0 0 408.410 3.740 50 5 HHBARN CC(C)c1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000005054731 559237360 /nfs/dbraw/zinc/23/73/60/559237360.db2.gz SBRBXYPGYFTZHA-UHFFFAOYSA-N 0 0 407.426 3.761 50 5 HHBARN COc1ccc(-c2noc(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 ZINC000009095259 560211025 /nfs/dbraw/zinc/21/10/25/560211025.db2.gz QZJNXTJRNWXSBP-UHFFFAOYSA-N 0 0 410.430 3.633 50 5 in-vitro HHBARN COc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c(OC)cc1Cl ZINC000005675318 560775620 /nfs/dbraw/zinc/77/56/20/560775620.db2.gz WHEFFQYCISDYOH-UHFFFAOYSA-N 0 0 404.762 3.624 50 5 HHBARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]21 ZINC000101319364 560791385 /nfs/dbraw/zinc/79/13/85/560791385.db2.gz FTBGEBZVDYQPMO-ZNZDAUKMSA-N 0 0 406.394 3.516 50 5 HHBARN CC(C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718506 560798460 /nfs/dbraw/zinc/79/84/60/560798460.db2.gz BHVSUUCHCACEOU-LJQANCHMSA-N 0 0 410.430 3.675 50 5 HHBARN COc1ccc(CCNc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102785583 560827583 /nfs/dbraw/zinc/82/75/83/560827583.db2.gz AWBTUUQAMQFWOD-KDURUIRLSA-N 0 0 421.453 3.714 50 5 HHBARN CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000102864815 560832555 /nfs/dbraw/zinc/83/25/55/560832555.db2.gz NOMVSDQTOAIXOV-FGTMMUONSA-N 0 0 415.833 3.503 50 5 HHBARN C[C@@H](OC(=O)/C=C\c1c(Cl)nc2sccn12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104316158 560850532 /nfs/dbraw/zinc/85/05/32/560850532.db2.gz NVOOEPOKWZPWRN-JYESYGNLSA-N 0 0 420.834 3.541 50 5 HHBARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000110570527 560880111 /nfs/dbraw/zinc/88/01/11/560880111.db2.gz VEKGSQZLJLIFBP-RZQQEMMASA-N 0 0 409.486 3.961 50 5 HHBARN COc1ccc(CCC2CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000048312187 568437552 /nfs/dbraw/zinc/43/75/52/568437552.db2.gz QHKMBEKRNBZQBK-UHFFFAOYSA-N 0 0 411.458 3.814 50 5 HHBARN CCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000714607 568464676 /nfs/dbraw/zinc/46/46/76/568464676.db2.gz AXEIHZWYIQUTAZ-SFHVURJKSA-N 0 0 407.348 3.767 50 5 HHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024869349 568473553 /nfs/dbraw/zinc/47/35/53/568473553.db2.gz LGLGXCDFPZNMSW-JKSUJKDBSA-N 0 0 413.499 3.953 50 5 HHBARN O=C(C[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(F)cc1 ZINC000012377264 568551090 /nfs/dbraw/zinc/55/10/90/568551090.db2.gz BHCPHHOOLGXSQY-HSZRJFAPSA-N 0 0 420.396 3.741 50 5 HHBARN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000095432191 568609135 /nfs/dbraw/zinc/60/91/35/568609135.db2.gz LXGFHAVIXPCPNY-INIZCTEOSA-N 0 0 419.522 3.780 50 5 HHBARN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000095452444 568615460 /nfs/dbraw/zinc/61/54/60/568615460.db2.gz UQMHPZSKAMCQBO-UHFFFAOYSA-N 0 0 422.832 3.693 50 5 HHBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000095545426 568636112 /nfs/dbraw/zinc/63/61/12/568636112.db2.gz OXNUHFLWXAWQNI-CALCHBBNSA-N 0 0 409.417 3.844 50 5 HHBARN CCNc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000020897817 568649323 /nfs/dbraw/zinc/64/93/23/568649323.db2.gz MBNGABHMDOLKNI-UHFFFAOYSA-N 0 0 400.391 3.769 50 5 HHBARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000021106352 568667314 /nfs/dbraw/zinc/66/73/14/568667314.db2.gz VRPINONLUBWVLW-FQEVSTJZSA-N 0 0 406.398 3.778 50 5 HHBARN COc1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000096014045 568685440 /nfs/dbraw/zinc/68/54/40/568685440.db2.gz UFKAZAIEAXAOGJ-KRWDZBQOSA-N 0 0 414.405 3.626 50 5 HHBARN CC(C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096275485 568714553 /nfs/dbraw/zinc/71/45/53/568714553.db2.gz MOLMZPPMLSIRMB-IBGZPJMESA-N 0 0 410.430 3.675 50 5 HHBARN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc3c(c(Cl)c2)OCO3)cc1OC ZINC000025065333 568742603 /nfs/dbraw/zinc/74/26/03/568742603.db2.gz NETGKEWMFHXZDW-UHFFFAOYSA-N 0 0 409.778 3.741 50 5 HHBARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000001118190 568771148 /nfs/dbraw/zinc/77/11/48/568771148.db2.gz VNVQGWGKHTVAOV-IZZDOVSWSA-N 0 0 412.471 3.716 50 5 HHBARN O=C(OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001123918 568771377 /nfs/dbraw/zinc/77/13/77/568771377.db2.gz WOHZCRZOGMRFBD-UHFFFAOYSA-N 0 0 411.435 3.926 50 5 HHBARN COc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000001130804 568773018 /nfs/dbraw/zinc/77/30/18/568773018.db2.gz HHTZZLOSHSTKLX-UHFFFAOYSA-N 0 0 420.834 3.940 50 5 HHBARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000001132388 568773275 /nfs/dbraw/zinc/77/32/75/568773275.db2.gz YMSMPGJHUVNIGA-UHFFFAOYSA-N 0 0 419.503 3.966 50 5 HHBARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001165466 568775712 /nfs/dbraw/zinc/77/57/12/568775712.db2.gz DBDNBQNIOQGXTL-UHFFFAOYSA-N 0 0 416.846 3.729 50 5 HHBARN O=C(NCC(=O)N1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000225602577 568775992 /nfs/dbraw/zinc/77/59/92/568775992.db2.gz NXWOSZZTELITQS-INIZCTEOSA-N 0 0 401.850 3.732 50 5 HHBARN Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002661998 568799371 /nfs/dbraw/zinc/79/93/71/568799371.db2.gz KDJOILRGXCPOLC-NSHDSACASA-N 0 0 418.866 3.652 50 5 HHBARN COc1ccc(C)cc1NC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1 ZINC000002761427 568807094 /nfs/dbraw/zinc/80/70/94/568807094.db2.gz KXUPYKDFSSYMMT-UHFFFAOYSA-N 0 0 404.810 3.964 50 5 HHBARN CC[C@@H](Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002848556 568812941 /nfs/dbraw/zinc/81/29/41/568812941.db2.gz PXZXVXVVRNDMOT-MRXNPFEDSA-N 0 0 412.475 3.778 50 5 HHBARN Cc1nn([C@@H](C)C(=O)Nc2c(F)cc(F)cc2Br)c(C)c1[N+](=O)[O-] ZINC000002884891 568814297 /nfs/dbraw/zinc/81/42/97/568814297.db2.gz YXZNKBGAHPELHV-QMMMGPOBSA-N 0 0 403.183 3.649 50 5 HHBARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000001179673 568819972 /nfs/dbraw/zinc/81/99/72/568819972.db2.gz BSEULLFKUPKDHR-DEOSSOPVSA-N 0 0 416.433 3.911 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000001190842 568822844 /nfs/dbraw/zinc/82/28/44/568822844.db2.gz BUZDOPPQOADKQF-KRWDZBQOSA-N 0 0 400.822 3.823 50 5 HHBARN O=C(NCc1ccc2c(c1)OCO2)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000002957470 568829865 /nfs/dbraw/zinc/82/98/65/568829865.db2.gz FBAKIDWHXZJMFN-UHFFFAOYSA-N 0 0 423.428 3.660 50 5 HHBARN Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057456086 568837891 /nfs/dbraw/zinc/83/78/91/568837891.db2.gz LVVMJCXRRUQNNZ-KRWDZBQOSA-N 0 0 419.485 3.601 50 5 HHBARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012516989 568840653 /nfs/dbraw/zinc/84/06/53/568840653.db2.gz UQDRLTAWOIBNLB-UHFFFAOYSA-N 0 0 418.837 3.528 50 5 HHBARN O=C(N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000003217854 568862925 /nfs/dbraw/zinc/86/29/25/568862925.db2.gz WDEBWQVPVVEHFW-JTQLQIEISA-N 0 0 414.723 3.857 50 5 HHBARN O=c1c2ccccc2[nH]c2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)cc21 ZINC000012606575 568871257 /nfs/dbraw/zinc/87/12/57/568871257.db2.gz FVJSSEQYRJQYBA-UHFFFAOYSA-N 0 0 421.478 3.653 50 5 HHBARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000058155609 568893101 /nfs/dbraw/zinc/89/31/01/568893101.db2.gz BOYWPLQARKNHSA-LBPRGKRZSA-N 0 0 401.366 3.534 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(C(F)(F)F)c1 ZINC000003385987 568893352 /nfs/dbraw/zinc/89/33/52/568893352.db2.gz OIRPCXMPBGOICT-SNVBAGLBSA-N 0 0 412.320 3.806 50 5 HHBARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000003408435 568897623 /nfs/dbraw/zinc/89/76/23/568897623.db2.gz PTCHBFNLQGSGDA-UHFFFAOYSA-N 0 0 422.459 3.730 50 5 HHBARN COc1cc(C(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000003411898 568898230 /nfs/dbraw/zinc/89/82/30/568898230.db2.gz ACAXDFWYQPGUAU-CQSZACIVSA-N 0 0 401.415 3.965 50 5 HHBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000003511345 568911428 /nfs/dbraw/zinc/91/14/28/568911428.db2.gz NTVCJROLICUOSN-UHFFFAOYSA-N 0 0 420.443 3.554 50 5 HHBARN O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001313745 568913699 /nfs/dbraw/zinc/91/36/99/568913699.db2.gz KHGDQZLIPOMEBB-UHFFFAOYSA-N 0 0 408.322 3.941 50 5 HHBARN O=C1OCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001429740 568939752 /nfs/dbraw/zinc/93/97/52/568939752.db2.gz RDOJXINXNHTMPN-OAHLLOKOSA-N 0 0 418.327 3.945 50 5 HHBARN COc1cccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000015534264 568946041 /nfs/dbraw/zinc/94/60/41/568946041.db2.gz RQSYJEYHJBBAGW-VMPITWQZSA-N 0 0 401.850 3.619 50 5 HHBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000012771060 568951669 /nfs/dbraw/zinc/95/16/69/568951669.db2.gz QMTGRDYJTASBRT-UHFFFAOYSA-N 0 0 408.483 3.676 50 5 HHBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000008156265 568977807 /nfs/dbraw/zinc/97/78/07/568977807.db2.gz YIEPTBKHZKDEFQ-UHFFFAOYSA-N 0 0 410.474 3.734 50 5 HHBARN CCOc1cc(NC(=O)CCc2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OCC ZINC000012890381 569019921 /nfs/dbraw/zinc/01/99/21/569019921.db2.gz OWODZVCIYDWVQV-UHFFFAOYSA-N 0 0 418.446 3.981 50 5 HHBARN COc1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c([N+](=O)[O-])cc1OC ZINC000012922531 569023299 /nfs/dbraw/zinc/02/32/99/569023299.db2.gz WNHPCVVAXAUHOG-LBPRGKRZSA-N 0 0 420.491 3.553 50 5 HHBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 ZINC000012938175 569027937 /nfs/dbraw/zinc/02/79/37/569027937.db2.gz HEEJGSYHQYIWPC-UHFFFAOYSA-N 0 0 412.258 3.784 50 5 HHBARN CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000016046104 569028078 /nfs/dbraw/zinc/02/80/78/569028078.db2.gz MJEWJRSQXZNSID-QMMMGPOBSA-N 0 0 400.507 3.686 50 5 HHBARN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000026599484 569041818 /nfs/dbraw/zinc/04/18/18/569041818.db2.gz KSGAEXZMTZETIA-KRWDZBQOSA-N 0 0 407.474 3.832 50 5 HHBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000006400926 569046724 /nfs/dbraw/zinc/04/67/24/569046724.db2.gz WEHSMFRVZKDMRZ-UHFFFAOYSA-N 0 0 419.437 3.932 50 5 HHBARN CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000001881383 569056868 /nfs/dbraw/zinc/05/68/68/569056868.db2.gz YGDBJCPOFXUIJV-UHFFFAOYSA-N 0 0 406.807 3.744 50 5 HHBARN C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006462523 569057411 /nfs/dbraw/zinc/05/74/11/569057411.db2.gz ZJWFHJOUCVZRKQ-MRXNPFEDSA-N 0 0 419.437 3.931 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000026902078 569060065 /nfs/dbraw/zinc/06/00/65/569060065.db2.gz QYNCBQBMZPHCPZ-SFHVURJKSA-N 0 0 413.371 3.608 50 5 HHBARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccccc2[N+](=O)[O-])c1 ZINC000016637215 569061101 /nfs/dbraw/zinc/06/11/01/569061101.db2.gz RNESACIKZROTPE-VAWYXSNFSA-N 0 0 412.471 3.860 50 5 HHBARN O=C(CSc1nnc2[nH]c3ccccc3n21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006508810 569061901 /nfs/dbraw/zinc/06/19/01/569061901.db2.gz LEFVQMXBWKTATQ-UHFFFAOYSA-N 0 0 402.823 3.503 50 5 HHBARN O=C(COC(=O)c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006944759 569187274 /nfs/dbraw/zinc/18/72/74/569187274.db2.gz FZLVLGPLDQVULY-UHFFFAOYSA-N 0 0 404.247 3.687 50 5 HHBARN CC(C)n1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000065322418 569224574 /nfs/dbraw/zinc/22/45/74/569224574.db2.gz RXOJBVWLSBNICP-UHFFFAOYSA-N 0 0 423.473 3.610 50 5 HHBARN COc1cc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC ZINC000007779559 569309321 /nfs/dbraw/zinc/30/93/21/569309321.db2.gz AZCSZDBFKOTKMN-URNNUDQISA-N 0 0 417.458 3.943 50 5 HHBARN COCCCn1cnc2c(c3nc4ccccc4nc3n2CCc2ccccc2)c1=O ZINC000002220094 569312115 /nfs/dbraw/zinc/31/21/15/569312115.db2.gz JBGBYLLLHMNPRZ-UHFFFAOYSA-N 0 0 413.481 3.574 50 5 HHBARN CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000007889796 569315380 /nfs/dbraw/zinc/31/53/80/569315380.db2.gz WSTNJDJRAJZMBC-NRFANRHFSA-N 0 0 400.431 3.648 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1 ZINC000252677338 569319700 /nfs/dbraw/zinc/31/97/00/569319700.db2.gz YKCAQFZHQZDHEN-UHFFFAOYSA-N 0 0 419.418 3.634 50 5 HHBARN CCOC(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1c(C)onc1-c1ccccc1 ZINC000027521933 569344844 /nfs/dbraw/zinc/34/48/44/569344844.db2.gz IVMOZTGUWCKDMJ-LGMDPLHJSA-N 0 0 421.409 3.892 50 5 HHBARN COCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)c1=O ZINC000002377008 569389504 /nfs/dbraw/zinc/38/95/04/569389504.db2.gz XDAJFWDWFCBRTK-UHFFFAOYSA-N 0 0 423.835 3.723 50 5 HHBARN CCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])cc1OC ZINC000012796764 569403478 /nfs/dbraw/zinc/40/34/78/569403478.db2.gz MCNLYGJYXFEUHH-QGZVFWFLSA-N 0 0 421.881 3.688 50 5 HHBARN CC[C@@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000018324601 569414069 /nfs/dbraw/zinc/41/40/69/569414069.db2.gz DTRAZJRUFOWLIL-OAHLLOKOSA-N 0 0 408.443 3.924 50 5 HHBARN COc1ccccc1C[C@@H](C)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000078903530 569421572 /nfs/dbraw/zinc/42/15/72/569421572.db2.gz GWPUXLYXFSYWRW-OAHLLOKOSA-N 0 0 408.458 3.635 50 5 HHBARN CC(=O)N1C[C@H](C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc21 ZINC000078970477 569422380 /nfs/dbraw/zinc/42/23/80/569422380.db2.gz LQPJEXMSUXUHAC-CQSZACIVSA-N 0 0 407.430 3.654 50 5 HHBARN CCCc1cc(=O)oc2cc(OS(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc12 ZINC000079108320 569427862 /nfs/dbraw/zinc/42/78/62/569427862.db2.gz OTHKUTZLCKVTSA-UHFFFAOYSA-N 0 0 403.412 3.563 50 5 HHBARN Cc1c(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000040116929 571174526 /nfs/dbraw/zinc/17/45/26/571174526.db2.gz YEVJPVIOGGICCY-UHFFFAOYSA-N 0 0 401.422 3.899 50 5 HHBARN O=[N+]([O-])c1ccc(-c2noc(CN(Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 ZINC000040118758 571175025 /nfs/dbraw/zinc/17/50/25/571175025.db2.gz ZICPXEZYRFADNR-INIZCTEOSA-N 0 0 400.460 3.888 50 5 HHBARN CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O ZINC000245326896 571224488 /nfs/dbraw/zinc/22/44/88/571224488.db2.gz MZVZMHPMTUOEQK-PGRDOPGGSA-N 0 0 422.441 3.642 50 5 HHBARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000009190683 571235369 /nfs/dbraw/zinc/23/53/69/571235369.db2.gz OOUZQXPVFKASNZ-QHCPKHFHSA-N 0 0 420.396 3.741 50 5 HHBARN Cc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C ZINC000009363706 571251710 /nfs/dbraw/zinc/25/17/10/571251710.db2.gz SAIRECBEWSHHLW-UHFFFAOYSA-N 0 0 417.468 3.753 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCSc1ccc(Cl)cc1 ZINC000009439786 571258986 /nfs/dbraw/zinc/25/89/86/571258986.db2.gz JNTWCCMJUZBBTR-UHFFFAOYSA-N 0 0 424.862 3.921 50 5 HHBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009509660 571264029 /nfs/dbraw/zinc/26/40/29/571264029.db2.gz VYGPISMFXIFUIV-UHFFFAOYSA-N 0 0 416.393 3.736 50 5 HHBARN COc1ccc2cc(CNc3cc([N+](=O)[O-])ccc3NCCO)c(Cl)nc2c1 ZINC000009592733 571271924 /nfs/dbraw/zinc/27/19/24/571271924.db2.gz KIVAPXBXLORFFO-UHFFFAOYSA-N 0 0 402.838 3.821 50 5 HHBARN COc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000009667703 571278150 /nfs/dbraw/zinc/27/81/50/571278150.db2.gz ITLNCMAGWNHYEB-UHFFFAOYSA-N 0 0 419.397 3.756 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@H](c1ccccc1)C1CC1 ZINC000010044470 571294457 /nfs/dbraw/zinc/29/44/57/571294457.db2.gz ANMGGBPHMVLZQX-HXUWFJFHSA-N 0 0 401.488 3.943 50 5 HHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000010187873 571296279 /nfs/dbraw/zinc/29/62/79/571296279.db2.gz KLWCAFLJZMUDBH-UHFFFAOYSA-N 0 0 419.771 3.989 50 5 HHBARN COc1cc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000010391578 571301990 /nfs/dbraw/zinc/30/19/90/571301990.db2.gz GFPLFXWZLAMWRJ-UHFFFAOYSA-N 0 0 412.301 3.778 50 5 HHBARN O=C(/C=C/c1cccc(Br)c1)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003301713 960480825 /nfs/dbraw/zinc/48/08/25/960480825.db2.gz HASNUQBKKCFRAR-BQYQJAHWSA-N 0 0 405.204 3.552 50 5 HHBARN COc1cc(OC)c([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005068560 960646854 /nfs/dbraw/zinc/64/68/54/960646854.db2.gz VMPVFWVXSXMDPW-IBGZPJMESA-N 0 0 404.444 3.508 50 5 HHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000043003196 966885864 /nfs/dbraw/zinc/88/58/64/966885864.db2.gz HTCJAKSAVVIEBL-YFHOEESVSA-N 0 0 408.483 3.562 50 5 HHBARN CCOc1ccc(NC(=O)COC(=O)/C=C\c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000096937136 969057780 /nfs/dbraw/zinc/05/77/80/969057780.db2.gz DITXBCGOOMAQNJ-YVMONPNESA-N 0 0 410.835 3.904 50 5 HHBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000097655833 969180275 /nfs/dbraw/zinc/18/02/75/969180275.db2.gz MSTCYXQMLGWCGD-JYRVWZFOSA-N 0 0 409.442 3.780 50 5 HHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000097656202 969180326 /nfs/dbraw/zinc/18/03/26/969180326.db2.gz AOIFJDLBVNITAL-HJWRWDBZSA-N 0 0 407.407 3.574 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225494046 970106719 /nfs/dbraw/zinc/10/67/19/970106719.db2.gz RHJXFEDGASQVJP-LCCNJJIFSA-N 0 0 417.469 3.890 50 5 HHBARN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000001065290 132236188 /nfs/dbraw/zinc/23/61/88/132236188.db2.gz MQDGPGWXCMBTHA-UHFFFAOYSA-N 0 0 405.838 3.736 50 5 HHBARN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 ZINC000004189694 132272672 /nfs/dbraw/zinc/27/26/72/132272672.db2.gz RCFMDFDSUCZBRC-UHFFFAOYSA-N 0 0 418.453 3.673 50 5 HHBARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000004575401 132278938 /nfs/dbraw/zinc/27/89/38/132278938.db2.gz NHMJUWHQLQCLPN-UHFFFAOYSA-N 0 0 400.866 3.785 50 5 HHBARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000004687398 132283265 /nfs/dbraw/zinc/28/32/65/132283265.db2.gz NYJVKMRCIXVSNV-UHFFFAOYSA-N 0 0 400.866 3.785 50 5 HHBARN O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000004688290 132283691 /nfs/dbraw/zinc/28/36/91/132283691.db2.gz RCBIUEDFDBEJRQ-UHFFFAOYSA-N 0 0 400.504 3.609 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000004703652 132284042 /nfs/dbraw/zinc/28/40/42/132284042.db2.gz SOGWZBCYRVFVBF-UHFFFAOYSA-N 0 0 404.264 3.628 50 5 HHBARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004705256 132284228 /nfs/dbraw/zinc/28/42/28/132284228.db2.gz PRWQXHLAUOTFBH-UHFFFAOYSA-N 0 0 410.455 3.807 50 5 aggregator HHBARN CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@@H]1c1ccccc1 ZINC000005389233 132305614 /nfs/dbraw/zinc/30/56/14/132305614.db2.gz OADANPYOHMPFFJ-SFHVURJKSA-N 0 0 410.426 3.541 50 5 HHBARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000009190310 132337091 /nfs/dbraw/zinc/33/70/91/132337091.db2.gz MICBJDRKZOMAHG-UHFFFAOYSA-N 0 0 416.865 3.559 50 5 HHBARN Cc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)n1-c1ccc(C)cc1 ZINC000012563008 132364165 /nfs/dbraw/zinc/36/41/65/132364165.db2.gz CFPWYAIKAKZGPQ-UHFFFAOYSA-N 0 0 424.530 3.708 50 5 HHBARN CCc1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000032934207 523704455 /nfs/dbraw/zinc/70/44/55/523704455.db2.gz CGLOBVDCJHVCFG-UHFFFAOYSA-N 0 0 406.446 3.590 50 5 HHBARN O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001429586 527093157 /nfs/dbraw/zinc/09/31/57/527093157.db2.gz QHAWXEAHTAPFHY-OAHLLOKOSA-N 0 0 418.327 3.945 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2ccc(O)cc2)CC1 ZINC000032828692 527327160 /nfs/dbraw/zinc/32/71/60/527327160.db2.gz HFHYFSKHKYPNLD-UHFFFAOYSA-N 0 0 412.324 3.554 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000033051899 527628804 /nfs/dbraw/zinc/62/88/04/527628804.db2.gz LTANEQBVYUWZBE-VAWYXSNFSA-N 0 0 400.456 3.963 50 5 HHBARN O=c1c2c(nc3c4ccccc4c(NC[C@H]4CCCO4)nn13)sc1c2CCCC1 ZINC000000632182 557027282 /nfs/dbraw/zinc/02/72/82/557027282.db2.gz JHGQHHYGOFKDPG-CYBMUJFWSA-N 0 0 406.511 3.927 50 5 HHBARN O=C(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000002853097 557405788 /nfs/dbraw/zinc/40/57/88/557405788.db2.gz NXKZASZEAQHYEY-UHFFFAOYSA-N 0 0 406.324 3.897 50 5 HHBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000006720347 557717135 /nfs/dbraw/zinc/71/71/35/557717135.db2.gz ASAQILRUUJMSOB-UHFFFAOYSA-N 0 0 400.434 3.873 50 5 HHBARN O=c1c2oc3ccccc3c2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 ZINC000004359006 558447492 /nfs/dbraw/zinc/44/74/92/558447492.db2.gz SBLVMKZTIFMKHM-UHFFFAOYSA-N 0 0 413.389 3.855 50 5 HHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000010902632 558556001 /nfs/dbraw/zinc/55/60/01/558556001.db2.gz SDVCRMJFWWGSOY-UHFFFAOYSA-N 0 0 423.907 3.516 50 5 HHBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000004472040 558598950 /nfs/dbraw/zinc/59/89/50/558598950.db2.gz GMPVNWMIINZNFB-DXNYSGJVSA-N 0 0 407.165 3.975 50 5 HHBARN O=C(OCc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000015941002 558763256 /nfs/dbraw/zinc/76/32/56/558763256.db2.gz ZCWPXCUKVIBHQU-UHFFFAOYSA-N 0 0 410.348 3.807 50 5 HHBARN O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000032975812 558803234 /nfs/dbraw/zinc/80/32/34/558803234.db2.gz ZKHKZTFHYGJUCD-NRFANRHFSA-N 0 0 423.513 3.963 50 5 HHBARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000016743498 558804263 /nfs/dbraw/zinc/80/42/63/558804263.db2.gz AUGILPZXRVZGFO-NSHDSACASA-N 0 0 416.817 3.585 50 5 HHBARN COc1cc(CCC2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000011128312 558854560 /nfs/dbraw/zinc/85/45/60/558854560.db2.gz YXNMCEHDHDDMQI-UHFFFAOYSA-N 0 0 413.474 3.679 50 5 HHBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000004660029 558873679 /nfs/dbraw/zinc/87/36/79/558873679.db2.gz VOGMUTOEONUMTL-UHFFFAOYSA-N 0 0 418.449 3.819 50 5 HHBARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004690681 558900366 /nfs/dbraw/zinc/90/03/66/558900366.db2.gz NHLKUSHVYZDISR-UHFFFAOYSA-N 0 0 405.476 3.658 50 5 HHBARN O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 ZINC000023055241 558994665 /nfs/dbraw/zinc/99/46/65/558994665.db2.gz USWFIQUWBUUBGV-UHFFFAOYSA-N 0 0 424.501 3.643 50 5 HHBARN Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N2CCC(C)CC2)cc1 ZINC000033334126 559063066 /nfs/dbraw/zinc/06/30/66/559063066.db2.gz PYXFAOVUXPHFCO-QNGOZBTKSA-N 0 0 407.470 3.933 50 5 HHBARN C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000011379417 559067431 /nfs/dbraw/zinc/06/74/31/559067431.db2.gz SBOIBRFAJHNCPK-ZDUSSCGKSA-N 0 0 416.507 3.631 50 5 HHBARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C[C@H](C)O1 ZINC000014121659 559152491 /nfs/dbraw/zinc/15/24/91/559152491.db2.gz WAMBUZJONDQFNZ-PHIMTYICSA-N 0 0 410.883 3.566 50 5 HHBARN C[C@H](OC(=O)c1cc(Br)c[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014199559 559156247 /nfs/dbraw/zinc/15/62/47/559156247.db2.gz VLTSKZXVRCLRCX-ZETCQYMHSA-N 0 0 416.615 3.523 50 5 HHBARN O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000004845217 559169126 /nfs/dbraw/zinc/16/91/26/559169126.db2.gz OELKQQRNZIBSLA-UHFFFAOYSA-N 0 0 402.362 3.752 50 5 HHBARN O=C(NCCc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000004844883 559169681 /nfs/dbraw/zinc/16/96/81/559169681.db2.gz MIWCELHLXXHHJL-OQKWZONESA-N 0 0 415.449 3.725 50 5 HHBARN C[C@H](OC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000023389756 559173651 /nfs/dbraw/zinc/17/36/51/559173651.db2.gz BVVGIYYPRHOYME-QFBILLFUSA-N 0 0 419.909 3.509 50 5 HHBARN COc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000024117967 559190478 /nfs/dbraw/zinc/19/04/78/559190478.db2.gz UZCMJLXBHMYAQZ-UHFFFAOYSA-N 0 0 421.453 3.821 50 5 HHBARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000004928843 559207278 /nfs/dbraw/zinc/20/72/78/559207278.db2.gz OVZXVXTUIFIMOC-LJQANCHMSA-N 0 0 406.398 3.553 50 5 HHBARN CC1(C)CC(=O)C(C(c2cccc([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100501078 559210112 /nfs/dbraw/zinc/21/01/12/559210112.db2.gz BGPNPCHJMQYBCR-UHFFFAOYSA-N 0 0 413.470 3.827 50 5 HHBARN CCc1nc2c(c3nc4ccccc4nc3n2CCCOC)c(=O)n1CCC(C)C ZINC000005030615 559230861 /nfs/dbraw/zinc/23/08/61/559230861.db2.gz MTPDPJZDOIWZEY-UHFFFAOYSA-N 0 0 407.518 3.939 50 5 HHBARN Cc1nc2c(c3nc4ccccc4nc3n2C[C@@H]2CCCO2)c(=O)n1C1CCCC1 ZINC000005065915 559239799 /nfs/dbraw/zinc/23/97/99/559239799.db2.gz DNAPSMQATTVTHP-INIZCTEOSA-N 0 0 403.486 3.897 50 5 HHBARN O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000005126556 559247739 /nfs/dbraw/zinc/24/77/39/559247739.db2.gz HHKWKSOUQOQHPO-UHFFFAOYSA-N 0 0 413.286 3.618 50 5 HHBARN CC(C)(C)NC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005165770 559272662 /nfs/dbraw/zinc/27/26/62/559272662.db2.gz NBMHZWSYYXJVJK-SFQUDFHCSA-N 0 0 401.850 3.934 50 5 HHBARN COc1ccc(C(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000024175320 559274919 /nfs/dbraw/zinc/27/49/19/559274919.db2.gz HKYLLARTJKINAI-UHFFFAOYSA-N 0 0 408.204 3.714 50 5 HHBARN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000005199212 559292334 /nfs/dbraw/zinc/29/23/34/559292334.db2.gz GSKOMEFPGWQLLM-UHFFFAOYSA-N 0 0 414.421 3.972 50 5 HHBARN Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000005267050 560553906 /nfs/dbraw/zinc/55/39/06/560553906.db2.gz XQKHHVGOVBNIAJ-GOSISDBHSA-N 0 0 403.350 3.747 50 5 HHBARN COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000005451446 560590423 /nfs/dbraw/zinc/59/04/23/560590423.db2.gz HHKQWYQFWXXUBA-UHFFFAOYSA-N 0 0 402.794 3.579 50 5 HHBARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000005455795 560591340 /nfs/dbraw/zinc/59/13/40/560591340.db2.gz NGDNSQTZTXGYCE-UHFFFAOYSA-N 0 0 417.487 3.639 50 5 HHBARN Cc1c(NC(=O)N(CCO)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000062639924 560636782 /nfs/dbraw/zinc/63/67/82/560636782.db2.gz KXGAVDOZIYMSKJ-UHFFFAOYSA-N 0 0 408.252 3.692 50 5 HHBARN CC(=O)Nc1ccc(Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000101508364 560796686 /nfs/dbraw/zinc/79/66/86/560796686.db2.gz RXTADRXOFNGNKA-ROUUACIJSA-N 0 0 420.425 3.752 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000102704630 560820474 /nfs/dbraw/zinc/82/04/74/560820474.db2.gz INEDVKVVWCQTTM-PWRODBHTSA-N 0 0 415.405 3.646 50 5 HHBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000102748793 560824348 /nfs/dbraw/zinc/82/43/48/560824348.db2.gz KLSOIPVTUNNHBD-NJDAHSKKSA-N 0 0 415.405 3.646 50 5 HHBARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000102905465 560834928 /nfs/dbraw/zinc/83/49/28/560834928.db2.gz YCYHAZQQUTXLSK-LGMDPLHJSA-N 0 0 400.394 3.938 50 5 HHBARN O=C(NCc1nc2cccnc2n1Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000046916128 560879375 /nfs/dbraw/zinc/87/93/75/560879375.db2.gz IHRHLAYYBPZIIL-UHFFFAOYSA-N 0 0 421.844 3.971 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] ZINC000046069186 568426565 /nfs/dbraw/zinc/42/65/65/568426565.db2.gz GJBDFHBQWAZURS-CHWSQXEVSA-N 0 0 403.410 3.608 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000048312686 568439027 /nfs/dbraw/zinc/43/90/27/568439027.db2.gz SBWNDYUSLPAZPZ-GOSISDBHSA-N 0 0 414.487 3.706 50 5 HHBARN O=[N+]([O-])c1ccc2oc(SCc3nc4ncccn4c3Br)nc2c1 ZINC000000710234 568464677 /nfs/dbraw/zinc/46/46/77/568464677.db2.gz PATWHVWNSJDYAD-UHFFFAOYSA-N 0 0 406.221 3.834 50 5 HHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024869342 568473602 /nfs/dbraw/zinc/47/36/02/568473602.db2.gz LGLGXCDFPZNMSW-HZPDHXFCSA-N 0 0 413.499 3.953 50 5 HHBARN CC(=O)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000000820901 568497799 /nfs/dbraw/zinc/49/77/99/568497799.db2.gz HPITZBZNMSVPNL-UHFFFAOYSA-N 0 0 408.197 3.508 50 5 HHBARN O=C(Nc1ncc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000000823261 568497968 /nfs/dbraw/zinc/49/79/68/568497968.db2.gz PACPMQQHWWIZLU-UHFFFAOYSA-N 0 0 401.014 3.767 50 5 HHBARN CC(C)NC(=O)c1ccc(NCc2ccc(C(=O)N(C)C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000025567555 568529100 /nfs/dbraw/zinc/52/91/00/568529100.db2.gz XDLGPBOBFBKWLR-UHFFFAOYSA-N 0 0 412.490 3.826 50 5 HHBARN CC1(C)Cc2c3c(ncn4nc(-c5cc([N+](=O)[O-])ccc5[O-])nc34)sc2C(C)(C)[NH2+]1 ZINC000000846175 568550018 /nfs/dbraw/zinc/55/00/18/568550018.db2.gz YDQFGKBWXOUTFB-UHFFFAOYSA-N 0 0 424.486 3.779 50 5 HHBARN CCOc1cc(C(=O)NCCCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000095962160 568670044 /nfs/dbraw/zinc/67/00/44/568670044.db2.gz NWWNGEKTZJDCKW-UHFFFAOYSA-N 0 0 410.467 3.634 50 5 HHBARN O=C(C1CC1)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)CCc1ccccc1 ZINC000096292232 568721216 /nfs/dbraw/zinc/72/12/16/568721216.db2.gz CYPQFEIGGSEZJJ-UHFFFAOYSA-N 0 0 406.442 3.669 50 5 HHBARN COc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000000881986 568736672 /nfs/dbraw/zinc/73/66/72/568736672.db2.gz ZJHANEPMISVVLP-UHFFFAOYSA-N 0 0 407.451 3.982 50 5 HHBARN COCCN(Cc1ccco1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000025095050 568749383 /nfs/dbraw/zinc/74/93/83/568749383.db2.gz XEZRFRNPOCQSLO-UHFFFAOYSA-N 0 0 401.463 3.713 50 5 HHBARN CCc1cccc(CC)c1NC(=O)NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC ZINC000001023885 568763304 /nfs/dbraw/zinc/76/33/04/568763304.db2.gz DETILDSOYQGHRJ-UHFFFAOYSA-N 0 0 401.419 3.699 50 5 HHBARN COc1ccc(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000001024783 568763511 /nfs/dbraw/zinc/76/35/11/568763511.db2.gz JCYKDIRNGUCLGM-UHFFFAOYSA-N 0 0 410.879 3.716 50 5 HHBARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000001022544 568763648 /nfs/dbraw/zinc/76/36/48/568763648.db2.gz ZXXQNBBOAUBILB-INIZCTEOSA-N 0 0 414.892 3.693 50 5 HHBARN COc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1 ZINC000001022683 568763673 /nfs/dbraw/zinc/76/36/73/568763673.db2.gz QRYVRBNIBSCFEC-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001142628 568772263 /nfs/dbraw/zinc/77/22/63/568772263.db2.gz NHLFUCHKZZATOG-UHFFFAOYSA-N 0 0 411.867 3.577 50 5 HHBARN COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1 ZINC000001146407 568772536 /nfs/dbraw/zinc/77/25/36/568772536.db2.gz LFCOBSXYYWDBOY-UHFFFAOYSA-N 0 0 404.835 3.951 50 5 HHBARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000027986974 568775406 /nfs/dbraw/zinc/77/54/06/568775406.db2.gz YAAXSMCKKLIGIZ-STQMWFEESA-N 0 0 417.849 3.750 50 5 HHBARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000027986966 568775441 /nfs/dbraw/zinc/77/54/41/568775441.db2.gz YAAXSMCKKLIGIZ-BETUJISGSA-N 0 0 417.849 3.750 50 5 HHBARN O=[N+]([O-])c1c(NCc2noc(-c3cccc(Br)c3)n2)nc2sccn21 ZINC000225725877 568779743 /nfs/dbraw/zinc/77/97/43/568779743.db2.gz YFYQQWPEBARZPN-UHFFFAOYSA-N 0 0 421.236 3.729 50 5 HHBARN CS(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000002617151 568786025 /nfs/dbraw/zinc/78/60/25/568786025.db2.gz SBMIYQJVHSTILC-UHFFFAOYSA-N 0 0 404.227 3.662 50 5 HHBARN C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002621004 568787605 /nfs/dbraw/zinc/78/76/05/568787605.db2.gz NGOFQBPYZWCESI-VIFPVBQESA-N 0 0 404.835 3.604 50 5 HHBARN COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)cc1 ZINC000002665255 568800346 /nfs/dbraw/zinc/80/03/46/568800346.db2.gz VOBZVFHMHHCTIN-UHFFFAOYSA-N 0 0 401.400 3.812 50 5 HHBARN CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002702627 568801441 /nfs/dbraw/zinc/80/14/41/568801441.db2.gz OKFWRAUOOYEVNL-WBVHZDCISA-N 0 0 417.487 3.833 50 5 HHBARN C[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000002744507 568806203 /nfs/dbraw/zinc/80/62/03/568806203.db2.gz ZBXYWUNJIJQLEP-GFCCVEGCSA-N 0 0 407.268 3.617 50 5 HHBARN COc1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1[N+](=O)[O-] ZINC000002760237 568806696 /nfs/dbraw/zinc/80/66/96/568806696.db2.gz PDJHYJMNNMVPNJ-UHFFFAOYSA-N 0 0 411.439 3.992 50 5 HHBARN COc1ccc(C)cc1NC(=O)c1cnn2c1nccc2-c1cccc([N+](=O)[O-])c1 ZINC000002798019 568809699 /nfs/dbraw/zinc/80/96/99/568809699.db2.gz FDKLMDORFCLHOW-UHFFFAOYSA-N 0 0 403.398 3.874 50 5 HHBARN CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000002847274 568812946 /nfs/dbraw/zinc/81/29/46/568812946.db2.gz WYJYPUQUVHQLOR-UHFFFAOYSA-N 0 0 411.487 3.590 50 5 HHBARN Cc1ccc(O)c(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000001210657 568824415 /nfs/dbraw/zinc/82/44/15/568824415.db2.gz MGYLYZKDJMJEBK-UHFFFAOYSA-N 0 0 402.362 3.640 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1CCCc2ccccc21 ZINC000005894350 568828424 /nfs/dbraw/zinc/82/84/24/568828424.db2.gz RPCCHDLOWMUPTJ-GOSISDBHSA-N 0 0 401.488 3.869 50 5 HHBARN O=C(c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000003015307 568838552 /nfs/dbraw/zinc/83/85/52/568838552.db2.gz RKFDVKZAKDTFQP-UHFFFAOYSA-N 0 0 423.288 3.981 50 5 HHBARN CC1CCN(C(=O)c2ccc(S(=O)(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1 ZINC000003020638 568840161 /nfs/dbraw/zinc/84/01/61/568840161.db2.gz UMRNXIDONNCEOV-UHFFFAOYSA-N 0 0 422.890 3.953 50 5 HHBARN Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n(C[C@@H]2CCCO2)c1C ZINC000012535257 568845144 /nfs/dbraw/zinc/84/51/44/568845144.db2.gz TWSAFYCGFRCCNR-INIZCTEOSA-N 0 0 404.492 3.626 50 5 HHBARN O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003252283 568848930 /nfs/dbraw/zinc/84/89/30/568848930.db2.gz GDHHGOHNOLAJRE-UHFFFAOYSA-N 0 0 401.177 3.765 50 5 HHBARN CCCCNC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003056133 568850385 /nfs/dbraw/zinc/85/03/85/568850385.db2.gz KXPMSCTYDCYAII-AQTBWJFISA-N 0 0 401.850 3.935 50 5 HHBARN COc1cc([N+](=O)[O-])c(OC)cc1SCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000003126450 568856815 /nfs/dbraw/zinc/85/68/15/568856815.db2.gz FDDUPBKJYFVJNQ-UHFFFAOYSA-N 0 0 418.387 3.863 50 5 HHBARN O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003271890 568870645 /nfs/dbraw/zinc/87/06/45/568870645.db2.gz AEXLYCMDRKBYBY-UHFFFAOYSA-N 0 0 400.721 3.645 50 5 HHBARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058021466 568878121 /nfs/dbraw/zinc/87/81/21/568878121.db2.gz PVJXGDUGJIFOTF-UHFFFAOYSA-N 0 0 417.897 3.500 50 5 HHBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(C1CCCCC1)C1CCCCC1 ZINC000003321275 568880446 /nfs/dbraw/zinc/88/04/46/568880446.db2.gz GOKHLBOHPNCWOZ-UHFFFAOYSA-N 0 0 413.474 3.685 50 5 HHBARN O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003342001 568883812 /nfs/dbraw/zinc/88/38/12/568883812.db2.gz UGJOZKCQDBDXKW-UHFFFAOYSA-N 0 0 401.806 3.844 50 5 HHBARN Cc1cc(C(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] ZINC000058098185 568885100 /nfs/dbraw/zinc/88/51/00/568885100.db2.gz ZCDCCLDEKSGBST-UHFFFAOYSA-N 0 0 416.235 3.558 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003361900 568888125 /nfs/dbraw/zinc/88/81/25/568888125.db2.gz JWCSCRZUUUDRSU-UHFFFAOYSA-N 0 0 423.425 3.759 50 5 HHBARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000058161746 568894524 /nfs/dbraw/zinc/89/45/24/568894524.db2.gz VEKGSQZLJLIFBP-TWOQFEAHSA-N 0 0 409.486 3.961 50 5 HHBARN COc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000003412412 568898318 /nfs/dbraw/zinc/89/83/18/568898318.db2.gz ZEMAKYJXPATKTP-HNNXBMFYSA-N 0 0 400.460 3.704 50 5 HHBARN Cc1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1-c1cc(C)ccc1C ZINC000003431956 568902007 /nfs/dbraw/zinc/90/20/07/568902007.db2.gz GBHLYDXZNJBKMH-UHFFFAOYSA-N 0 0 415.450 3.971 50 5 HHBARN Cc1cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2c2ccccc12 ZINC000003443545 568904334 /nfs/dbraw/zinc/90/43/34/568904334.db2.gz CEIZCKAHCXYZLM-UHFFFAOYSA-N 0 0 411.418 3.969 50 5 HHBARN Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1Cc1cccs1 ZINC000003449567 568905283 /nfs/dbraw/zinc/90/52/83/568905283.db2.gz QWFIWQCOCHFCIL-UHFFFAOYSA-N 0 0 422.466 3.716 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 ZINC000001303202 568913138 /nfs/dbraw/zinc/91/31/38/568913138.db2.gz UMWKIGDUOONDRR-YBFXNURJSA-N 0 0 403.419 3.934 50 5 HHBARN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003546122 568914112 /nfs/dbraw/zinc/91/41/12/568914112.db2.gz LUAZFZXAKJZNKI-LLVKDONJSA-N 0 0 403.851 3.948 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000004258197 568954585 /nfs/dbraw/zinc/95/45/85/568954585.db2.gz ISEAWJBYBCSFAT-UHFFFAOYSA-N 0 0 415.402 3.787 50 5 HHBARN CCCCNc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004253200 568955371 /nfs/dbraw/zinc/95/53/71/568955371.db2.gz HHVQMGFNJMYRRT-UHFFFAOYSA-N 0 0 401.419 3.611 50 5 HHBARN CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)nn1 ZINC000004270380 568956631 /nfs/dbraw/zinc/95/66/31/568956631.db2.gz IHZFFOGHBOBQRT-UHFFFAOYSA-N 0 0 414.443 3.560 50 5 HHBARN O=C(NCCNc1ccc([N+](=O)[O-])c(NC2CC2)c1)c1ccc(Br)cc1 ZINC000008385732 568996229 /nfs/dbraw/zinc/99/62/29/568996229.db2.gz KRTBWGGQKIPOEH-UHFFFAOYSA-N 0 0 419.279 3.774 50 5 HHBARN C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008435610 569002922 /nfs/dbraw/zinc/00/29/22/569002922.db2.gz SZTDHBOVYZKKHX-SNVBAGLBSA-N 0 0 415.387 3.672 50 5 HHBARN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000008443090 569003217 /nfs/dbraw/zinc/00/32/17/569003217.db2.gz XUIWVSVQXYBWOQ-UHFFFAOYSA-N 0 0 419.422 3.925 50 5 HHBARN CCCc1noc(-c2ccc(N3CCN(c4ccccc4OC)CC3)c([N+](=O)[O-])c2)n1 ZINC000015833864 569012777 /nfs/dbraw/zinc/01/27/77/569012777.db2.gz ZIPBAAQVUIKQAS-UHFFFAOYSA-N 0 0 423.473 3.933 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)cc1[N+](=O)[O-] ZINC000012902219 569020894 /nfs/dbraw/zinc/02/08/94/569020894.db2.gz RBLISOXFFLBMRG-UHFFFAOYSA-N 0 0 410.455 3.963 50 5 HHBARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000016046332 569028115 /nfs/dbraw/zinc/02/81/15/569028115.db2.gz AKVNTYCSPSVPMD-UHFFFAOYSA-N 0 0 423.878 3.675 50 5 HHBARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000006348424 569044573 /nfs/dbraw/zinc/04/45/73/569044573.db2.gz 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Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000006866652 569158990 /nfs/dbraw/zinc/15/89/90/569158990.db2.gz BVUHBGLMAFPYFJ-UHFFFAOYSA-N 0 0 417.487 3.720 50 5 HHBARN C[C@@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006995418 569197167 /nfs/dbraw/zinc/19/71/67/569197167.db2.gz YFTHUAZRKLSVEE-SNVBAGLBSA-N 0 0 413.213 3.851 50 5 HHBARN CC(C)(C)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000526052279 569239822 /nfs/dbraw/zinc/23/98/22/569239822.db2.gz PLWRZTMEOAVUFK-GOSISDBHSA-N 0 0 410.430 3.927 50 5 HHBARN COP(=O)(OC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1 ZINC000016753666 569262318 /nfs/dbraw/zinc/26/23/18/569262318.db2.gz PMTGMUDCEYJTRG-UHFFFAOYSA-N 0 0 417.358 3.897 50 5 HHBARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000017089822 569273760 /nfs/dbraw/zinc/27/37/60/569273760.db2.gz YKORKUYQUBDQIJ-UHFFFAOYSA-N 0 0 414.443 3.961 50 5 HHBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 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417.487 3.767 50 5 HHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccccc1Br ZINC000001192733 568822822 /nfs/dbraw/zinc/82/28/22/568822822.db2.gz FWWMBQZKHXPVGC-UHFFFAOYSA-N 0 0 407.249 3.964 50 5 HHBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029285363 568824036 /nfs/dbraw/zinc/82/40/36/568824036.db2.gz DSXNTKYOODYGSU-UHFFFAOYSA-N 0 0 415.393 3.513 50 5 HHBARN O=C(NCc1ccccc1)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 ZINC000001212818 568829769 /nfs/dbraw/zinc/82/97/69/568829769.db2.gz ZQGVUXCENCFYJA-HKWRFOASSA-N 0 0 401.422 3.682 50 5 HHBARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000002993135 568835914 /nfs/dbraw/zinc/83/59/14/568835914.db2.gz PFCZGSYRVKNVHD-SXGWCWSVSA-N 0 0 416.411 3.763 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cn2cccn2)cc1 ZINC000012527266 568843627 /nfs/dbraw/zinc/84/36/27/568843627.db2.gz VWJSBQMRQDEDTA-UHFFFAOYSA-N 0 0 422.488 3.716 50 5 HHBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012527554 568843667 /nfs/dbraw/zinc/84/36/67/568843667.db2.gz DYCGHVKHYOOUEI-UHFFFAOYSA-N 0 0 424.501 3.994 50 5 HHBARN COC(=O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000003146590 568858199 /nfs/dbraw/zinc/85/81/99/568858199.db2.gz DONCANPEADNVBQ-UHFFFAOYSA-N 0 0 418.361 3.974 50 5 HHBARN O=C(NCc1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000003221096 568863575 /nfs/dbraw/zinc/86/35/75/568863575.db2.gz KVLGYXCWDFCXDL-UHFFFAOYSA-N 0 0 415.449 3.611 50 5 HHBARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003237112 568865710 /nfs/dbraw/zinc/86/57/10/568865710.db2.gz FRINEQRALXNDGK-UHFFFAOYSA-N 0 0 418.405 3.930 50 5 HHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 ZINC000012619879 568872426 /nfs/dbraw/zinc/87/24/26/568872426.db2.gz NUAJXXBTVYPPMJ-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000012619808 568872544 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CCOc1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000003158274 132262829 /nfs/dbraw/zinc/26/28/29/132262829.db2.gz ZQXCKYYQBGTWKI-UHFFFAOYSA-N 0 0 407.338 3.856 50 5 HHBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000004687598 132283258 /nfs/dbraw/zinc/28/32/58/132283258.db2.gz DQJSCJBQOZFVMN-MRXNPFEDSA-N 0 0 411.483 3.647 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000004703649 132284071 /nfs/dbraw/zinc/28/40/71/132284071.db2.gz BXKWRQWHWOMSIF-UHFFFAOYSA-N 0 0 411.483 3.567 50 5 HHBARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000006026682 132308905 /nfs/dbraw/zinc/30/89/05/132308905.db2.gz BXKQSYFEBORVBT-UHFFFAOYSA-N 0 0 405.838 3.736 50 5 HHBARN Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000009355133 132338973 /nfs/dbraw/zinc/33/89/73/132338973.db2.gz WVEFLXCANXOQEL-UHFFFAOYSA-N 0 0 424.284 3.938 50 5 HHBARN O=C(NCc1ccccc1OC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012563730 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VBKXRKTZAJYNTK-GOSISDBHSA-N 0 0 424.892 3.532 50 5 HHBARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000010732080 558433154 /nfs/dbraw/zinc/43/31/54/558433154.db2.gz NMLCJFVSLLGXDR-UHFFFAOYSA-N 0 0 400.822 3.853 50 5 HHBARN O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072096799 558460349 /nfs/dbraw/zinc/46/03/49/558460349.db2.gz GQGIQLOWLJHGAR-HNNXBMFYSA-N 0 0 409.826 3.541 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C ZINC000012985646 558495184 /nfs/dbraw/zinc/49/51/84/558495184.db2.gz BQGWZOFDXQNGLG-QGZVFWFLSA-N 0 0 418.471 3.509 50 5 HHBARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004426620 558544196 /nfs/dbraw/zinc/54/41/96/558544196.db2.gz UUJHBZLJJCVOOC-SXGWCWSVSA-N 0 0 414.395 3.537 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 ZINC000024494964 558599289 /nfs/dbraw/zinc/59/92/89/558599289.db2.gz HJNOYXGLGAXLCL-UHFFFAOYSA-N 0 0 421.494 3.951 50 5 HHBARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000004555229 558724084 /nfs/dbraw/zinc/72/40/84/558724084.db2.gz YGWVHBXGFYQFQC-XMMPIXPASA-N 0 0 416.433 3.911 50 5 HHBARN Cc1ccc(S(=O)(=O)NCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004575586 558740495 /nfs/dbraw/zinc/74/04/95/558740495.db2.gz WHHSOOYKGTYRJA-UHFFFAOYSA-N 0 0 417.409 3.703 50 5 HHBARN CCOc1ccc2nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)sc2c1 ZINC000004583430 558773141 /nfs/dbraw/zinc/77/31/41/558773141.db2.gz YBSUFUJQTLPRPG-UHFFFAOYSA-N 0 0 412.471 3.566 50 5 HHBARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004585457 558776365 /nfs/dbraw/zinc/77/63/65/558776365.db2.gz FQYNYGWWVOIZCO-UHFFFAOYSA-N 0 0 400.394 3.855 50 5 HHBARN CCOc1ccc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000013573791 558844797 /nfs/dbraw/zinc/84/47/97/558844797.db2.gz UESCRODDDINYDN-UHFFFAOYSA-N 0 0 423.450 3.569 50 5 HHBARN CCOC(=O)C[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(OCC)cc1 ZINC000004653385 558869696 /nfs/dbraw/zinc/86/96/96/558869696.db2.gz AFRODDMXTKRMMO-QGZVFWFLSA-N 0 0 400.431 3.726 50 5 HHBARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 ZINC000004676077 558881076 /nfs/dbraw/zinc/88/10/76/558881076.db2.gz WUDLASNXXPSUKD-UHFFFAOYSA-N 0 0 408.443 3.638 50 5 HHBARN CC(=O)OCCNc1cc(Sc2ccccc2Cl)c2nonc2c1[N+](=O)[O-] ZINC000004676235 558888663 /nfs/dbraw/zinc/88/86/63/558888663.db2.gz VGELYKBQGUNSLN-UHFFFAOYSA-N 0 0 408.823 3.911 50 5 HHBARN COc1ccc(C(=O)Nc2nc(CN3CCCCC3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000011164808 558900218 /nfs/dbraw/zinc/90/02/18/558900218.db2.gz VQTLTMHKWLYEDG-UHFFFAOYSA-N 0 0 421.457 3.785 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000004704205 558906613 /nfs/dbraw/zinc/90/66/13/558906613.db2.gz ATPIVTMBZPIHAG-KRWDZBQOSA-N 0 0 410.821 3.767 50 5 HHBARN Cc1c(NC(=O)CCC2CCCCC2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000004717694 558916554 /nfs/dbraw/zinc/91/65/54/558916554.db2.gz ITOXQLXHCBYZGO-UHFFFAOYSA-N 0 0 409.508 3.643 50 5 HHBARN O=C(NCCCN(C(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000004725043 558923185 /nfs/dbraw/zinc/92/31/85/558923185.db2.gz RXIHZGDEZOOEAG-UHFFFAOYSA-N 0 0 407.426 3.584 50 5 HHBARN O=C1[C@H]2CS[C@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Cl)cc1 ZINC000004727091 558932376 /nfs/dbraw/zinc/93/23/76/558932376.db2.gz RMJNJNUYUHXAPW-GDBMZVCRSA-N 0 0 405.888 3.996 50 5 HHBARN Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000013957792 559013126 /nfs/dbraw/zinc/01/31/26/559013126.db2.gz WPYOVYYRGWJTPQ-UHFFFAOYSA-N 0 0 416.459 3.553 50 5 HHBARN CCOC(=O)COc1ccc(Br)cc1/C=C/c1onc(C)c1[N+](=O)[O-] ZINC000004770215 559053361 /nfs/dbraw/zinc/05/33/61/559053361.db2.gz YFHOJYKFOLCZLG-GQCTYLIASA-N 0 0 411.208 3.766 50 5 HHBARN C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000033325267 559058742 /nfs/dbraw/zinc/05/87/42/559058742.db2.gz IRSIVZNYIXZEEH-OAHLLOKOSA-N 0 0 422.441 3.949 50 5 HHBARN CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1C ZINC000004821005 559124270 /nfs/dbraw/zinc/12/42/70/559124270.db2.gz PRXBLEMFMAZCQX-LJQANCHMSA-N 0 0 410.430 3.569 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000011762621 559258610 /nfs/dbraw/zinc/25/86/10/559258610.db2.gz RUHQZDVYUPJTTA-UHFFFAOYSA-N 0 0 419.441 3.987 50 5 HHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2ccccc2F)c1=O ZINC000005270494 560560712 /nfs/dbraw/zinc/56/07/12/560560712.db2.gz VUDWWEIUPJDWJK-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270735 560560857 /nfs/dbraw/zinc/56/08/57/560560857.db2.gz RRELSLKAZVUZSP-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN COc1cc(NC(=O)COC(=O)c2cc(C)nc3ccccc32)c(C)cc1[N+](=O)[O-] ZINC000005357325 560569583 /nfs/dbraw/zinc/56/95/83/560569583.db2.gz VDMUVTWCZIWZFS-UHFFFAOYSA-N 0 0 409.398 3.564 50 5 HHBARN COc1cc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc32)cc(OC)c1 ZINC000005347058 560570610 /nfs/dbraw/zinc/57/06/10/560570610.db2.gz JVWVHSXPVUEWRQ-UHFFFAOYSA-N 0 0 405.406 3.981 50 5 HHBARN COc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000005416692 560584687 /nfs/dbraw/zinc/58/46/87/560584687.db2.gz DWQIEHFOZFUFKK-UHFFFAOYSA-N 0 0 411.414 3.589 50 5 HHBARN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000018046647 560773970 /nfs/dbraw/zinc/77/39/70/560773970.db2.gz QEWPLKIICNLJES-SSZFMOIBSA-N 0 0 410.389 3.787 50 5 HHBARN C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000018109194 560775955 /nfs/dbraw/zinc/77/59/55/560775955.db2.gz HZJHBEIORPGBNV-HNNXBMFYSA-N 0 0 411.458 3.847 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000018178446 560781530 /nfs/dbraw/zinc/78/15/30/560781530.db2.gz NHKZQPFXZRNZHB-CEXWTWQISA-N 0 0 421.434 3.707 50 5 HHBARN COc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000005688368 560784114 /nfs/dbraw/zinc/78/41/14/560784114.db2.gz HJBKQLMTSSSHJY-AWEZNQCLSA-N 0 0 405.476 3.561 50 5 HHBARN O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000018210685 560784569 /nfs/dbraw/zinc/78/45/69/560784569.db2.gz BBCTUWTZEUHKFM-UHFFFAOYSA-N 0 0 412.221 3.996 50 5 HHBARN COc1ccc(CCNc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102785585 560827626 /nfs/dbraw/zinc/82/76/26/560827626.db2.gz AWBTUUQAMQFWOD-OALUTQOASA-N 0 0 421.453 3.714 50 5 HHBARN COc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000024493634 560840855 /nfs/dbraw/zinc/84/08/55/560840855.db2.gz ZBBUKUGLBGNHBD-UHFFFAOYSA-N 0 0 421.494 3.951 50 5 HHBARN O=C(NCc1ccc(Br)cc1)c1cccn2c(=O)c3ccccc3nc12 ZINC000051317278 560857867 /nfs/dbraw/zinc/85/78/67/560857867.db2.gz OZTWEDYZBKFAPP-UHFFFAOYSA-N 0 0 408.255 3.540 50 5 HHBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005750770 560883517 /nfs/dbraw/zinc/88/35/17/560883517.db2.gz AGMSNGDWUHUONC-QGZVFWFLSA-N 0 0 416.821 3.523 50 5 HHBARN Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048236668 568432598 /nfs/dbraw/zinc/43/25/98/568432598.db2.gz MCVSRUQNNMKKOV-UHFFFAOYSA-N 0 0 407.430 3.670 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000014921424 568455481 /nfs/dbraw/zinc/45/54/81/568455481.db2.gz PCEXWOSXGHWVTM-UHFFFAOYSA-N 0 0 415.402 3.787 50 5 HHBARN COC(=O)c1c2c(sc1NC(=O)c1nn(C)cc1[N+](=O)[O-])C[C@@H](C(C)(C)C)CC2 ZINC000000669150 568460403 /nfs/dbraw/zinc/46/04/03/568460403.db2.gz ADXBSLKLDAUBRG-JTQLQIEISA-N 0 0 420.491 3.580 50 5 HHBARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCC3)cc1[N+](=O)[O-] ZINC000000695993 568461896 /nfs/dbraw/zinc/46/18/96/568461896.db2.gz STOJFCYLOAPAMD-UHFFFAOYSA-N 0 0 404.444 3.971 50 5 HHBARN CC(C)CNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1 ZINC000000746297 568470481 /nfs/dbraw/zinc/47/04/81/568470481.db2.gz ZUZLMPLVAHPFCM-UHFFFAOYSA-N 0 0 410.474 3.833 50 5 HHBARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000000825803 568497982 /nfs/dbraw/zinc/49/79/82/568497982.db2.gz AAPQOEXCOUBDMR-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 ZINC000000828079 568499766 /nfs/dbraw/zinc/49/97/66/568499766.db2.gz NZCSBODNEOGVSN-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020100673 568587988 /nfs/dbraw/zinc/58/79/88/568587988.db2.gz YNHSXVLGQBDGQZ-UHFFFAOYSA-N 0 0 424.501 3.670 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1nnc(N(C)C2CCCCC2)s1 ZINC000020464606 568610074 /nfs/dbraw/zinc/61/00/74/568610074.db2.gz HMPWDTOVEHPVAX-UHFFFAOYSA-N 0 0 406.468 3.868 50 5 HHBARN CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000095467699 568624733 /nfs/dbraw/zinc/62/47/33/568624733.db2.gz GXHAUUPEHMEQSJ-BETUJISGSA-N 0 0 417.487 3.720 50 5 HHBARN Cc1cccc(C)c1N1C(=O)c2cccc3c(NCCO)c([N+](=O)[O-])cc(c23)C1=O ZINC000095470800 568626201 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/nfs/dbraw/zinc/38/18/44/569381844.db2.gz HKYNVJXJYRVKTL-HNENSFHCSA-N 0 0 413.861 3.945 50 5 HHBARN CCOCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O ZINC000002406612 569396221 /nfs/dbraw/zinc/39/62/21/569396221.db2.gz NQWQJTFAMDCHMR-UHFFFAOYSA-N 0 0 417.444 3.849 50 5 HHBARN Cc1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)oc1-c1ccc(Cl)cc1 ZINC000079092376 569396685 /nfs/dbraw/zinc/39/66/85/569396685.db2.gz KINOJQPUMKMVDX-UHFFFAOYSA-N 0 0 421.862 3.999 50 5 HHBARN CC(C)(C)c1nc(CN2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)no1 ZINC000079048124 569425285 /nfs/dbraw/zinc/42/52/85/569425285.db2.gz XWAKSWSUCVUOMS-UHFFFAOYSA-N 0 0 410.478 3.536 50 5 HHBARN O=C(OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccccc2oc1=O ZINC000008629231 571096484 /nfs/dbraw/zinc/09/64/84/571096484.db2.gz GOVHURSKKUDKCZ-UHFFFAOYSA-N 0 0 422.315 3.989 50 5 HHBARN COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1ccccc1[N+](=O)[O-] ZINC000008673734 571100753 /nfs/dbraw/zinc/10/07/53/571100753.db2.gz ZMVLPESLEWHDNX-UHFFFAOYSA-N 0 0 419.397 3.756 50 5 aggregator HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000040074355 571150562 /nfs/dbraw/zinc/15/05/62/571150562.db2.gz XCKFYKWBLCNIOJ-MDWZMJQESA-N 0 0 400.456 3.963 50 5 HHBARN COC(=O)c1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc([N+](=O)[O-])c1 ZINC000040090414 571160704 /nfs/dbraw/zinc/16/07/04/571160704.db2.gz UVTZKAAZNDIYRC-UHFFFAOYSA-N 0 0 424.331 3.873 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000040154730 571202013 /nfs/dbraw/zinc/20/20/13/571202013.db2.gz AVZSGVNSKZGRFL-LJQANCHMSA-N 0 0 419.865 3.659 50 5 HHBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000009129048 571227294 /nfs/dbraw/zinc/22/72/94/571227294.db2.gz FUKYBALJCYIZQD-UHFFFAOYSA-N 0 0 411.326 3.559 50 5 HHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000009373089 571252491 /nfs/dbraw/zinc/25/24/91/571252491.db2.gz YDEQIEFKQMVCFR-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000009402885 571254986 /nfs/dbraw/zinc/25/49/86/571254986.db2.gz AWIGLOAJIXVDNX-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009587893 571271552 /nfs/dbraw/zinc/27/15/52/571271552.db2.gz DWQGGAGAUJKRPL-UHFFFAOYSA-N 0 0 420.421 3.990 50 5 HHBARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000009614522 571273926 /nfs/dbraw/zinc/27/39/26/571273926.db2.gz LMEZUFNUAJHQTQ-QHCPKHFHSA-N 0 0 420.396 3.741 50 5 HHBARN COc1ccc(-c2nc(O)c(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)s2)cc1 ZINC000009633173 571274961 /nfs/dbraw/zinc/27/49/61/571274961.db2.gz AWXPDAJPFHRIHK-OAHLLOKOSA-N 0 0 419.846 3.674 50 5 HHBARN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1 ZINC000002981774 571306644 /nfs/dbraw/zinc/30/66/44/571306644.db2.gz UELBZJGCXXTGFW-UHFFFAOYSA-N 0 0 402.432 3.984 50 5 HHBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 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C[C@H]1CCCN(c2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000026911721 132490359 /nfs/dbraw/zinc/49/03/59/132490359.db2.gz QTZJMDBPDCEZPU-HNNXBMFYSA-N 0 0 411.458 3.532 50 5 HHBARN Cc1cc(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)n1Cc1ccccc1 ZINC000032332002 526215424 /nfs/dbraw/zinc/21/54/24/526215424.db2.gz VWMJQYCLVPXGCG-UHFFFAOYSA-N 0 0 405.410 3.852 50 5 HHBARN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)NCCSc1ccccc1 ZINC000032745270 527078181 /nfs/dbraw/zinc/07/81/81/527078181.db2.gz DKHOJKJKCHBODB-UHFFFAOYSA-N 0 0 416.484 3.645 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)c1cc[nH]n1)c1ccccc1 ZINC000032913693 527262260 /nfs/dbraw/zinc/26/22/60/527262260.db2.gz WEZFOGAHPIMEDT-MRXNPFEDSA-N 0 0 400.778 3.508 50 5 HHBARN NS(=O)(=O)c1ccc(Sc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 ZINC000032509768 527320053 /nfs/dbraw/zinc/32/00/53/527320053.db2.gz MPQFLIJWKHDSBN-UHFFFAOYSA-N 0 0 401.878 3.657 50 5 HHBARN CCCCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004688375 534955364 /nfs/dbraw/zinc/95/53/64/534955364.db2.gz KIIVYMPPMLKPSM-UHFFFAOYSA-N 0 0 410.474 3.686 50 5 HHBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NC1CCCCC1 ZINC000004350341 558424534 /nfs/dbraw/zinc/42/45/34/558424534.db2.gz MWTBKZYQOXTEJO-UHFFFAOYSA-N 0 0 417.487 3.767 50 5 HHBARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c12 ZINC000025064094 558629884 /nfs/dbraw/zinc/62/98/84/558629884.db2.gz PIEAEZHFKYBMEM-UHFFFAOYSA-N 0 0 403.398 3.648 50 5 HHBARN CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1N1CCCCC1 ZINC000015103761 558722968 /nfs/dbraw/zinc/72/29/68/558722968.db2.gz VNCUFGAKYYGNOY-UHFFFAOYSA-N 0 0 400.454 3.795 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1C ZINC000010630179 558830703 /nfs/dbraw/zinc/83/07/03/558830703.db2.gz WKZPTNDWBLJWNU-QGZVFWFLSA-N 0 0 400.460 3.614 50 5 HHBARN C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000010648747 558836751 /nfs/dbraw/zinc/83/67/51/558836751.db2.gz 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COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046432712 559129687 /nfs/dbraw/zinc/12/96/87/559129687.db2.gz SEBQZIHDKSGHFF-MRXNPFEDSA-N 0 0 403.822 3.500 50 5 HHBARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000071769260 559147106 /nfs/dbraw/zinc/14/71/06/559147106.db2.gz SFMGOVOOHVVYAQ-UHFFFAOYSA-N 0 0 413.729 3.900 50 5 HHBARN COc1ccc(CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000014250412 559161946 /nfs/dbraw/zinc/16/19/46/559161946.db2.gz YNICCYFWFOCEHH-UHFFFAOYSA-N 0 0 406.460 3.615 50 5 HHBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000004873854 559194944 /nfs/dbraw/zinc/19/49/44/559194944.db2.gz WWHGMEHPIBTOMB-UHFFFAOYSA-N 0 0 410.478 3.689 50 5 HHBARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccc([N+](=O)[O-])cc1 ZINC000004882554 559197412 /nfs/dbraw/zinc/19/74/12/559197412.db2.gz YDJMSRFLGWXQNE-UHFFFAOYSA-N 0 0 407.451 3.787 50 5 HHBARN Cc1ccc2[nH]c3nc(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)nnc3c2c1 ZINC000004976311 559221810 /nfs/dbraw/zinc/22/18/10/559221810.db2.gz CKYUOHKNMWSGME-UHFFFAOYSA-N 0 0 408.443 3.762 50 5 HHBARN O=C1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc2ccccc2c1 ZINC000005054940 559237564 /nfs/dbraw/zinc/23/75/64/559237564.db2.gz YFVHFECFEFYPAO-JOCHJYFZSA-N 0 0 401.378 3.575 50 5 HHBARN COc1ccccc1Nc1nc(NCc2ccc(Cl)cc2)nc(N)c1[N+](=O)[O-] ZINC000005100073 559244907 /nfs/dbraw/zinc/24/49/07/559244907.db2.gz SMLVNDVAYCRJSZ-UHFFFAOYSA-N 0 0 400.826 3.985 50 5 HHBARN CC[C@H](SC1=NCCS1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000011852416 559262210 /nfs/dbraw/zinc/26/22/10/559262210.db2.gz PSDYXYNXZKITJI-NSHDSACASA-N 0 0 409.518 3.666 50 5 HHBARN O=C(COC(=O)c1cc(C2CC2)nc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024195368 559276971 /nfs/dbraw/zinc/27/69/71/559276971.db2.gz YANVQZACZGQOJF-UHFFFAOYSA-N 0 0 409.373 3.955 50 5 HHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000005269394 560560264 /nfs/dbraw/zinc/56/02/64/560560264.db2.gz 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ZINC000013002859 569049288 /nfs/dbraw/zinc/04/92/88/569049288.db2.gz KHKHYPSATLEMPE-DHDCSXOGSA-N 0 0 401.400 3.847 50 5 HHBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 ZINC000001891996 569057004 /nfs/dbraw/zinc/05/70/04/569057004.db2.gz VQGSZCOLJIUUMH-UHFFFAOYSA-N 0 0 423.859 3.790 50 5 HHBARN CN(c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000006549640 569064912 /nfs/dbraw/zinc/06/49/12/569064912.db2.gz OYVCBUOVFVCBJH-UHFFFAOYSA-N 0 0 412.423 3.639 50 5 HHBARN CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000006596940 569069326 /nfs/dbraw/zinc/06/93/26/569069326.db2.gz URHARMPXGJAHFL-UHFFFAOYSA-N 0 0 419.459 3.520 50 5 HHBARN O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1cc([N+](=O)[O-])ccc1F ZINC000007016363 569201152 /nfs/dbraw/zinc/20/11/52/569201152.db2.gz TVHZURDJRUFBIO-UHFFFAOYSA-N 0 0 411.389 3.890 50 5 HHBARN COc1cc(C=C2SC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013122871 569211296 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413.386 3.970 50 5 HHBARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000016756254 569262461 /nfs/dbraw/zinc/26/24/61/569262461.db2.gz BPSKVHPQRUHSLH-UHFFFAOYSA-N 0 0 421.438 3.865 50 5 HHBARN Cc1ccc(NN2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)cc1C ZINC000002071519 569263204 /nfs/dbraw/zinc/26/32/04/569263204.db2.gz BEZSLFSSBIEJJM-UHFFFAOYSA-N 0 0 406.354 3.896 50 5 HHBARN O=C(Oc1ccccc1C(=S)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002188409 569293464 /nfs/dbraw/zinc/29/34/64/569293464.db2.gz NSKAFWQIZLASTP-UHFFFAOYSA-N 0 0 415.427 3.884 50 5 aggregator HHBARN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1[N+](=O)[O-])COC(C)(C)C2 ZINC000002260720 569325230 /nfs/dbraw/zinc/32/52/30/569325230.db2.gz YGTBDRWNCOQBED-UHFFFAOYSA-N 0 0 404.444 3.937 50 5 HHBARN Cc1nc2c(c3nc4ccccc4nc3n2CCC(C)C)c(=O)n1C[C@@H]1CCCO1 ZINC000002256145 569326332 /nfs/dbraw/zinc/32/63/32/569326332.db2.gz RHXVTJOUNZJDLG-INIZCTEOSA-N 0 0 405.502 3.828 50 5 HHBARN O=C1NC(=S)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000027531619 569366838 /nfs/dbraw/zinc/36/68/38/569366838.db2.gz YWXOPSPBBBUBRO-UKTHLTGXSA-N 0 0 422.465 3.692 50 5 HHBARN COc1ccc2c(c1)oc1nc(-c3cccs3)n(Cc3ccco3)c(=O)c1c2=O ZINC000002345132 569376601 /nfs/dbraw/zinc/37/66/01/569376601.db2.gz DZDKATUBODAYNC-UHFFFAOYSA-N 0 0 406.419 3.881 50 5 HHBARN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc(OC)c1OC ZINC000027663454 569388705 /nfs/dbraw/zinc/38/87/05/569388705.db2.gz HNBOKLSJBITHFW-UHFFFAOYSA-N 0 0 423.425 3.863 50 5 HHBARN O=[N+]([O-])c1ccc(-c2nnc(SC/C=C/S(=O)(=O)c3ccccc3)o2)cc1 ZINC000009892578 569394328 /nfs/dbraw/zinc/39/43/28/569394328.db2.gz OZCWOKZQCDAZTE-UUILKARUSA-N 0 0 403.441 3.725 50 5 HHBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1=O ZINC000002424935 569398514 /nfs/dbraw/zinc/39/85/14/569398514.db2.gz WUCZQNWPWXHGLV-UHFFFAOYSA-N 0 0 413.437 3.731 50 5 HHBARN O=[N+]([O-])c1cc2c(c(NCc3ccccc3)n(Cc3ccccc3)[n+]2[O-])c([N+](=O)[O-])c1 ZINC000012376504 569400560 /nfs/dbraw/zinc/40/05/60/569400560.db2.gz QWAYGKFBRGFOTC-UHFFFAOYSA-N 0 0 419.397 3.752 50 5 HHBARN COc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 ZINC000012420114 569400964 /nfs/dbraw/zinc/40/09/64/569400964.db2.gz QXMVKIBRJPYGDL-YBFXNURJSA-N 0 0 419.418 3.634 50 5 HHBARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000012619859 569402110 /nfs/dbraw/zinc/40/21/10/569402110.db2.gz QSHCFIXTBYMLCG-INIZCTEOSA-N 0 0 420.347 3.880 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012977719 569405757 /nfs/dbraw/zinc/40/57/57/569405757.db2.gz OAMWUSIFZOUMAE-QGZVFWFLSA-N 0 0 418.471 3.590 50 5 HHBARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013129498 569409601 /nfs/dbraw/zinc/40/96/01/569409601.db2.gz BHAABDUAVCCXLE-UHFFFAOYSA-N 0 0 422.583 3.885 50 5 HHBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000013149812 569410077 /nfs/dbraw/zinc/41/00/77/569410077.db2.gz IJKYQNAFEWYJIM-UHFFFAOYSA-N 0 0 407.814 3.919 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000040069639 571149882 /nfs/dbraw/zinc/14/98/82/571149882.db2.gz OBYBRKYHIXXQLW-UHFFFAOYSA-N 0 0 421.388 3.971 50 5 HHBARN O=C(CN1C(=O)c2ccccc2O[C@H](c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000008914558 571150655 /nfs/dbraw/zinc/15/06/55/571150655.db2.gz MXUAKVIWFOOOEF-OAQYLSRUSA-N 0 0 416.389 3.580 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000245239961 571218851 /nfs/dbraw/zinc/21/88/51/571218851.db2.gz INEDVKVVWCQTTM-NJDAHSKKSA-N 0 0 415.405 3.646 50 5 HHBARN Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009316450 571247524 /nfs/dbraw/zinc/24/75/24/571247524.db2.gz IICQKAHGFSJYJN-UHFFFAOYSA-N 0 0 400.394 3.913 50 5 HHBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)c1 ZINC000009328249 571248294 /nfs/dbraw/zinc/24/82/94/571248294.db2.gz GVPVGBVREDVWEC-UHFFFAOYSA-N 0 0 400.370 3.611 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1C ZINC000009339079 571249652 /nfs/dbraw/zinc/24/96/52/571249652.db2.gz IJTHQZAFPKBTEG-UHFFFAOYSA-N 0 0 422.441 3.785 50 5 HHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 ZINC000009561745 571268524 /nfs/dbraw/zinc/26/85/24/571268524.db2.gz WPUVDZGTMVKKBI-INIZCTEOSA-N 0 0 420.347 3.880 50 5 HHBARN CCOC(=O)Cc1csc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000009630729 571274667 /nfs/dbraw/zinc/27/46/67/571274667.db2.gz HZQQCBBCWUUCLO-UHFFFAOYSA-N 0 0 415.880 3.541 50 5 HHBARN Cc1cccc(C)c1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N1CCOCC1 ZINC000009707465 571280672 /nfs/dbraw/zinc/28/06/72/571280672.db2.gz KZYZUSPQBGIRMD-DQRAZIAOSA-N 0 0 410.499 3.942 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000009717028 571281740 /nfs/dbraw/zinc/28/17/40/571281740.db2.gz BMPIDCBOHYXDHZ-UHFFFAOYSA-N 0 0 417.472 3.929 50 5 HHBARN COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000009981698 571293568 /nfs/dbraw/zinc/29/35/68/571293568.db2.gz JYVZWQSJABOHPL-UHFFFAOYSA-N 0 0 417.472 3.929 50 5 HHBARN Cc1cc(C(=O)COC(=O)C=Cc2ccccc2[N+](=O)[O-])c(C)n1C[C@H]1CCCO1 ZINC000033570929 966410634 /nfs/dbraw/zinc/41/06/34/966410634.db2.gz DJCXYSDXLAKVNG-HJCTWCACSA-N 0 0 412.442 3.631 50 5 HHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000033771174 966412972 /nfs/dbraw/zinc/41/29/72/966412972.db2.gz XYIWXOLBNBSDTL-DAXSKMNVSA-N 0 0 423.252 3.817 50 5 HHBARN COc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000004082440 132270837 /nfs/dbraw/zinc/27/08/37/132270837.db2.gz QCWMRVQNIHUXRA-UHFFFAOYSA-N 0 0 410.257 3.873 50 5 HHBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Br)cc1 ZINC000004182959 132272606 /nfs/dbraw/zinc/27/26/06/132272606.db2.gz ITRWIJDBOPENIS-ZDUSSCGKSA-N 0 0 404.264 3.708 50 5 HHBARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004614220 132280170 /nfs/dbraw/zinc/28/01/70/132280170.db2.gz DRQJVVICKROGQM-HNNXBMFYSA-N 0 0 403.866 3.673 50 5 HHBARN CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)CC1 ZINC000005029802 132298988 /nfs/dbraw/zinc/29/89/88/132298988.db2.gz VEXORBQRPYBYBH-UHFFFAOYSA-N 0 0 410.522 3.662 50 5 HHBARN CC1CCN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005219173 132304091 /nfs/dbraw/zinc/30/40/91/132304091.db2.gz DKWVRIALLYOYTI-UHFFFAOYSA-N 0 0 410.522 3.662 50 5 HHBARN O=C(OCc1ccc(Br)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009140276 132336586 /nfs/dbraw/zinc/33/65/86/132336586.db2.gz DTNKOOOTWZNDIQ-UHFFFAOYSA-N 0 0 421.247 3.551 50 5 HHBARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012555875 132363630 /nfs/dbraw/zinc/36/36/30/132363630.db2.gz BERLERSVJBARNJ-UHFFFAOYSA-N 0 0 412.446 3.820 50 5 HHBARN COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000013003546 132451266 /nfs/dbraw/zinc/45/12/66/132451266.db2.gz RYDMXXFIVWHOMY-SFHVURJKSA-N 0 0 417.368 3.933 50 5 HHBARN CN(Cc1ccc(Br)cc1)C(=O)CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000032932506 523195805 /nfs/dbraw/zinc/19/58/05/523195805.db2.gz XYNHTPVACZXVJJ-UHFFFAOYSA-N 0 0 417.263 3.756 50 5 HHBARN COc1ccc(NC(=O)CCSc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000032903564 524481845 /nfs/dbraw/zinc/48/18/45/524481845.db2.gz NJJGKHILKGOLEP-UHFFFAOYSA-N 0 0 402.354 3.533 50 5 HHBARN COc1ccc(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cl ZINC000017092000 524661876 /nfs/dbraw/zinc/66/18/76/524661876.db2.gz REXMUMZTHDYZJA-UHFFFAOYSA-N 0 0 419.825 3.667 50 5 HHBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 ZINC000032930134 525244331 /nfs/dbraw/zinc/24/43/31/525244331.db2.gz VASDAZDKKIMLKM-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000032827308 526168470 /nfs/dbraw/zinc/16/84/70/526168470.db2.gz BMFWAOFNLAWSHO-UHFFFAOYSA-N 0 0 418.453 3.997 50 5 HHBARN O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032957769 526718347 /nfs/dbraw/zinc/71/83/47/526718347.db2.gz SVLRZQGDUHJEHZ-UHFFFAOYSA-N 0 0 409.785 3.636 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)c1cc[nH]n1)c1ccccc1 ZINC000032913692 527261343 /nfs/dbraw/zinc/26/13/43/527261343.db2.gz WEZFOGAHPIMEDT-INIZCTEOSA-N 0 0 400.778 3.508 50 5 HHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000032930119 527294795 /nfs/dbraw/zinc/29/47/95/527294795.db2.gz QHIJMHDLMOCGGW-UHFFFAOYSA-N 0 0 411.439 3.577 50 5 HHBARN O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000044532501 527463192 /nfs/dbraw/zinc/46/31/92/527463192.db2.gz RNLVZOXTJTYBCL-UHFFFAOYSA-N 0 0 401.220 3.854 50 5 HHBARN Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000032869564 527651042 /nfs/dbraw/zinc/65/10/42/527651042.db2.gz LTUMONYAXCYNDJ-UHFFFAOYSA-N 0 0 421.523 3.546 50 5 HHBARN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072096800 558460309 /nfs/dbraw/zinc/46/03/09/558460309.db2.gz GQGIQLOWLJHGAR-OAHLLOKOSA-N 0 0 409.826 3.541 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(CN2CCCC2)cs1 ZINC000024968583 558622869 /nfs/dbraw/zinc/62/28/69/558622869.db2.gz BOEXXMYMKUIGPO-UHFFFAOYSA-N 0 0 418.522 3.846 50 5 HHBARN Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000004553106 558720446 /nfs/dbraw/zinc/72/04/46/558720446.db2.gz LQOSFJWEWWFILO-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN CCc1n[nH]c(=S)n1CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000072304260 558757088 /nfs/dbraw/zinc/75/70/88/558757088.db2.gz UBGNWGOJCLKVMA-UHFFFAOYSA-N 0 0 421.866 3.755 50 5 HHBARN O=c1c2cc3c(ccn(-c4cccc(Cl)c4)c3=O)nc2ccn1Cc1cccnc1 ZINC000038829141 558816125 /nfs/dbraw/zinc/81/61/25/558816125.db2.gz WYPBSFUERFXPOS-UHFFFAOYSA-N 0 0 414.852 3.797 50 5 HHBARN Cc1n[nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013730257 558861272 /nfs/dbraw/zinc/86/12/72/558861272.db2.gz SNVPRVUXFGSKKP-OAQYLSRUSA-N 0 0 401.426 3.896 50 5 HHBARN CCc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(Br)c1 ZINC000004702877 558906628 /nfs/dbraw/zinc/90/66/28/558906628.db2.gz JCRPDKUWBJTFRX-UHFFFAOYSA-N 0 0 409.236 3.946 50 5 HHBARN CC[C@@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1sc(C(C)C)cc1C(N)=O ZINC000004750385 559043663 /nfs/dbraw/zinc/04/36/63/559043663.db2.gz JGVUKBHHGXVLSI-CQSZACIVSA-N 0 0 405.476 3.983 50 5 HHBARN Cc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1C ZINC000004807337 559068264 /nfs/dbraw/zinc/06/82/64/559068264.db2.gz CMZZPMBWBZWYHX-UHFFFAOYSA-N 0 0 406.822 3.734 50 5 HHBARN O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004810670 559068807 /nfs/dbraw/zinc/06/88/07/559068807.db2.gz LQOIVASMJWKNQX-UHFFFAOYSA-N 0 0 406.414 3.600 50 5 HHBARN Cc1cc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000011453485 559077054 /nfs/dbraw/zinc/07/70/54/559077054.db2.gz RDHQRZFJCWYWCC-UHFFFAOYSA-N 0 0 409.486 3.504 50 5 HHBARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046432714 559129731 /nfs/dbraw/zinc/12/97/31/559129731.db2.gz SEBQZIHDKSGHFF-INIZCTEOSA-N 0 0 403.822 3.500 50 5 HHBARN COc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1 ZINC000004844013 559167952 /nfs/dbraw/zinc/16/79/52/559167952.db2.gz QVAAWESKQJCTNA-QGOAFFKASA-N 0 0 407.382 3.606 50 5 HHBARN COc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] ZINC000004846305 559186781 /nfs/dbraw/zinc/18/67/81/559186781.db2.gz OEXJQJLHWZJZHE-UHFFFAOYSA-N 0 0 412.398 3.703 50 5 HHBARN COc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC000004865551 559193011 /nfs/dbraw/zinc/19/30/11/559193011.db2.gz OJGVMFBATDMWQE-UHFFFAOYSA-N 0 0 406.394 3.852 50 5 HHBARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000004922769 559208534 /nfs/dbraw/zinc/20/85/34/559208534.db2.gz NZQVGLUHEVZTGG-CYBMUJFWSA-N 0 0 414.414 3.690 50 5 HHBARN COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1Br ZINC000004952856 559215617 /nfs/dbraw/zinc/21/56/17/559215617.db2.gz WDKUIJKKNOAHND-UHFFFAOYSA-N 0 0 420.307 3.684 50 5 HHBARN CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005119783 559247560 /nfs/dbraw/zinc/24/75/60/559247560.db2.gz UZHVXNOFMCHUPQ-HXUWFJFHSA-N 0 0 416.499 3.548 50 5 HHBARN O=C(CSc1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000005181432 559289782 /nfs/dbraw/zinc/28/97/82/559289782.db2.gz IPCAMCACZVIWDP-UHFFFAOYSA-N 0 0 414.512 3.645 50 5 HHBARN CC(=O)Oc1cn(-c2ccc3c(c2)OCCO3)c2nc(C)n3c4ccccc4nc3c12 ZINC000005236121 560548544 /nfs/dbraw/zinc/54/85/44/560548544.db2.gz NGMKXDZTNCVXFU-UHFFFAOYSA-N 0 0 414.421 3.831 50 5 HHBARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005355117 560569446 /nfs/dbraw/zinc/56/94/46/560569446.db2.gz QVZXHMQOULVBRA-UHFFFAOYSA-N 0 0 416.821 3.969 50 5 HHBARN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(c1)oc1ccccc1c2=O ZINC000005429419 560586520 /nfs/dbraw/zinc/58/65/20/560586520.db2.gz RHJFLIHVPARTSE-AWEZNQCLSA-N 0 0 413.426 3.861 50 5 HHBARN C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000105721661 560877015 /nfs/dbraw/zinc/87/70/15/560877015.db2.gz GBSUAXYGOLFQOM-ZACQAIPSSA-N 0 0 412.490 3.566 50 5 HHBARN O=C(CCc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000048287856 568434632 /nfs/dbraw/zinc/43/46/32/568434632.db2.gz ZHPARKREBLLYJK-UHFFFAOYSA-N 0 0 404.470 3.861 50 5 HHBARN Cc1cc(C(=O)N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1 ZINC000048324997 568438483 /nfs/dbraw/zinc/43/84/83/568438483.db2.gz LNWBDZZMTIOKEX-UHFFFAOYSA-N 0 0 418.759 3.526 50 5 HHBARN CC[C@H](C)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000000635591 568456367 /nfs/dbraw/zinc/45/63/67/568456367.db2.gz UHUILKIIRLLYKW-MAUKXSAKSA-N 0 0 424.453 3.887 50 5 HHBARN CCOc1c(O)ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000000713175 568464814 /nfs/dbraw/zinc/46/48/14/568464814.db2.gz RRONYMSCJPMPER-GHXNOFRVSA-N 0 0 405.204 3.954 50 5 HHBARN Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 ZINC000000726697 568466222 /nfs/dbraw/zinc/46/62/22/568466222.db2.gz UVOVORPKWBEAJW-DEDYPNTBSA-N 0 0 405.410 3.584 50 5 HHBARN Cc1ccc(NC(=S)N2CCCN(c3ncccc3[N+](=O)[O-])CC2)cc1Cl ZINC000020405983 568604624 /nfs/dbraw/zinc/60/46/24/568604624.db2.gz RSTRZFFCYNZIGP-UHFFFAOYSA-N 0 0 405.911 3.861 50 5 HHBARN COc1cc(C(=O)NC(C)(C)[C@@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000095456406 568617727 /nfs/dbraw/zinc/61/77/27/568617727.db2.gz UJTXKHILNWLCGL-LLVKDONJSA-N 0 0 408.838 3.938 50 5 HHBARN CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000095467701 568624934 /nfs/dbraw/zinc/62/49/34/568624934.db2.gz GXHAUUPEHMEQSJ-CHWSQXEVSA-N 0 0 417.487 3.720 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531173 568627113 /nfs/dbraw/zinc/62/71/13/568627113.db2.gz XREPZOYOBNOXTF-OAQYLSRUSA-N 0 0 401.422 3.801 50 5 HHBARN COc1cc(CC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(OC)c1OC ZINC000095946861 568664689 /nfs/dbraw/zinc/66/46/89/568664689.db2.gz SOXRWWJXZOCDBG-UHFFFAOYSA-N 0 0 414.336 3.821 50 5 HHBARN COc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000021104312 568666706 /nfs/dbraw/zinc/66/67/06/568666706.db2.gz JWHQQZGWKDBMDQ-HXUWFJFHSA-N 0 0 408.389 3.904 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1 ZINC000021104368 568666796 /nfs/dbraw/zinc/66/67/96/568666796.db2.gz DGCTVPKXHYKJCW-FQEVSTJZSA-N 0 0 408.389 3.904 50 5 HHBARN CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000021188671 568679122 /nfs/dbraw/zinc/67/91/22/568679122.db2.gz URSBCVIOEQJAJK-UHFFFAOYSA-N 0 0 405.295 3.630 50 5 HHBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 ZINC000000853809 568711812 /nfs/dbraw/zinc/71/18/12/568711812.db2.gz MNNWCTSDMAOOOM-HNNXBMFYSA-N 0 0 400.818 3.869 50 5 HHBARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccccc2[N+](=O)[O-])CC1 ZINC000096276610 568715300 /nfs/dbraw/zinc/71/53/00/568715300.db2.gz IHOSDZQQRAYSPQ-LJQANCHMSA-N 0 0 406.486 3.762 50 5 HHBARN C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000018705227 568738595 /nfs/dbraw/zinc/73/85/95/568738595.db2.gz DPDGXUKILBGHFN-INIZCTEOSA-N 0 0 420.473 3.657 50 5 HHBARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000000996433 568759844 /nfs/dbraw/zinc/75/98/44/568759844.db2.gz LSIUTKVTTHJWNR-UHFFFAOYSA-N 0 0 414.871 3.501 50 5 HHBARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001051792 568765244 /nfs/dbraw/zinc/76/52/44/568765244.db2.gz LIJXRTANKMRDHA-MRXNPFEDSA-N 0 0 405.794 3.699 50 5 HHBARN CCOc1ccc(-c2nc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cs2)cc1 ZINC000025393814 568766666 /nfs/dbraw/zinc/76/66/66/568766666.db2.gz OLVOWUVSWARJAE-UHFFFAOYSA-N 0 0 409.423 3.913 50 5 HHBARN COc1cc(C(=O)Nc2nnc(CCc3ccccc3)s2)c([N+](=O)[O-])cc1OC ZINC000001113789 568770548 /nfs/dbraw/zinc/77/05/48/568770548.db2.gz DONAJFIRILPGQJ-UHFFFAOYSA-N 0 0 414.443 3.501 50 5 HHBARN COc1ccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1 ZINC000001112087 568770580 /nfs/dbraw/zinc/77/05/80/568770580.db2.gz PUJMCEDOOBBGNB-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN CCOc1nn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000002466118 568772310 /nfs/dbraw/zinc/77/23/10/568772310.db2.gz TYRVKBXCBLAVJI-UHFFFAOYSA-N 0 0 409.324 3.664 50 5 HHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000001148373 568772730 /nfs/dbraw/zinc/77/27/30/568772730.db2.gz BMKHUTNCMVCECL-UHFFFAOYSA-N 0 0 406.354 3.922 50 5 HHBARN O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000001151731 568774057 /nfs/dbraw/zinc/77/40/57/568774057.db2.gz GCRWRHBQPJWKRA-INIZCTEOSA-N 0 0 413.739 3.749 50 5 HHBARN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c12 ZINC000225608241 568775869 /nfs/dbraw/zinc/77/58/69/568775869.db2.gz UMXOYCAAPOSVDX-UHFFFAOYSA-N 0 0 424.461 3.635 50 5 HHBARN CCOc1ccccc1CNC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1 ZINC000002763235 568807384 /nfs/dbraw/zinc/80/73/84/568807384.db2.gz ICFGCVJGEYHECP-UHFFFAOYSA-N 0 0 418.837 3.723 50 5 HHBARN COc1ccc([C@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000002796488 568809457 /nfs/dbraw/zinc/80/94/57/568809457.db2.gz APPFZWKHWGJRDY-AWEZNQCLSA-N 0 0 408.458 3.956 50 5 HHBARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000002826595 568812257 /nfs/dbraw/zinc/81/22/57/568812257.db2.gz FVTBBNBMGXKQPK-UHFFFAOYSA-N 0 0 403.460 3.909 50 5 HHBARN Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000002877470 568813888 /nfs/dbraw/zinc/81/38/88/568813888.db2.gz AZNSDKJJFOKGQL-UHFFFAOYSA-N 0 0 417.487 3.767 50 5 HHBARN CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000029081604 568818293 /nfs/dbraw/zinc/81/82/93/568818293.db2.gz QZNCTYRFDQWKDZ-UHFFFAOYSA-N 0 0 415.877 3.970 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccccc1F ZINC000015165819 568818370 /nfs/dbraw/zinc/81/83/70/568818370.db2.gz PBOQIJWAYOZACQ-UHFFFAOYSA-N 0 0 407.467 3.911 50 5 HHBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000001185053 568821829 /nfs/dbraw/zinc/82/18/29/568821829.db2.gz DKIXMJOHQBNQAF-UHFFFAOYSA-N 0 0 403.398 3.655 50 5 HHBARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001218705 568824891 /nfs/dbraw/zinc/82/48/91/568824891.db2.gz YFZLQNJPSDAPQW-QGZVFWFLSA-N 0 0 416.890 3.988 50 5 HHBARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1 ZINC000002965723 568831029 /nfs/dbraw/zinc/83/10/29/568831029.db2.gz SWMVABNQFBSMPF-UHFFFAOYSA-N 0 0 416.868 3.955 50 5 HHBARN Cc1ccc(NN2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c(C)c1 ZINC000003044961 568847601 /nfs/dbraw/zinc/84/76/01/568847601.db2.gz GHVNCQLINAJHSB-UHFFFAOYSA-N 0 0 406.354 3.896 50 5 HHBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000030560927 568871401 /nfs/dbraw/zinc/87/14/01/568871401.db2.gz RIJLBJWZLWJEBZ-CQSZACIVSA-N 0 0 424.457 3.803 50 5 HHBARN COc1ccc(C2=N/C(=C\c3ccc(OC(F)F)c(OC)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000012619103 568872479 /nfs/dbraw/zinc/87/24/79/568872479.db2.gz OUKMMEIGBAJHRR-GHXNOFRVSA-N 0 0 420.324 3.558 50 5 HHBARN Cc1ccc([C@@](O)(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)o1 ZINC000030597591 568873515 /nfs/dbraw/zinc/87/35/15/568873515.db2.gz XRFVYMAAEXOIOA-HNNXBMFYSA-N 0 0 406.744 3.720 50 5 HHBARN O=C(CCc1nc2ccccc2s1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003320669 568880405 /nfs/dbraw/zinc/88/04/05/568880405.db2.gz NIWTUCUWRYSFRJ-UHFFFAOYSA-N 0 0 400.412 3.747 50 5 HHBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1OC(F)F ZINC000003329332 568881740 /nfs/dbraw/zinc/88/17/40/568881740.db2.gz IDWVHRWAHQBNPC-UHFFFAOYSA-N 0 0 400.721 3.645 50 5 HHBARN COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)n2C[C@@H]2CCCO2)cc1 ZINC000012643660 568885406 /nfs/dbraw/zinc/88/54/06/568885406.db2.gz MURIXTREOUHCQV-INIZCTEOSA-N 0 0 413.459 3.587 50 5 HHBARN O=C(NCCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000058264906 568907036 /nfs/dbraw/zinc/90/70/36/568907036.db2.gz AEBNKYMSJVFAFN-UHFFFAOYSA-N 0 0 419.437 3.763 50 5 HHBARN COc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCCC2)cc1 ZINC000058268830 568907175 /nfs/dbraw/zinc/90/71/75/568907175.db2.gz DQHKRLDUZOFVNP-QFIPXVFZSA-N 0 0 422.485 3.767 50 5 HHBARN CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3nc21 ZINC000001315248 568913866 /nfs/dbraw/zinc/91/38/66/568913866.db2.gz VTEJSNULSABXOV-LLVKDONJSA-N 0 0 422.420 3.732 50 5 HHBARN COc1cc(N[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 ZINC000083920154 568925674 /nfs/dbraw/zinc/92/56/74/568925674.db2.gz LXPAKROAXNCAJQ-ZDUSSCGKSA-N 0 0 419.865 3.982 50 5 HHBARN O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000004178460 568948140 /nfs/dbraw/zinc/94/81/40/568948140.db2.gz CXLQPHYDMUOWFL-UHFFFAOYSA-N 0 0 406.394 3.893 50 5 HHBARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000012777082 568955528 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HHBARN COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000013844111 558885862 /nfs/dbraw/zinc/88/58/62/558885862.db2.gz XOPONPOHPNPRRD-UHFFFAOYSA-N 0 0 419.397 3.756 50 5 HHBARN Cc1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000004681009 558893861 /nfs/dbraw/zinc/89/38/61/558893861.db2.gz WJYCJTNFFSSCNF-GOSISDBHSA-N 0 0 400.475 3.713 50 5 HHBARN COc1ccccc1CNc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000004684005 558894530 /nfs/dbraw/zinc/89/45/30/558894530.db2.gz VVBSWHXWHXSKTJ-IAGOWNOFSA-N 0 0 407.426 3.671 50 5 HHBARN COc1cccc(CCNc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])c1 ZINC000004683646 558894685 /nfs/dbraw/zinc/89/46/85/558894685.db2.gz VCRYWVFCPRYFCW-OALUTQOASA-N 0 0 423.469 3.938 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000004704206 558906629 /nfs/dbraw/zinc/90/66/29/558906629.db2.gz ATPIVTMBZPIHAG-QGZVFWFLSA-N 0 0 410.821 3.767 50 5 HHBARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000004746946 559043654 /nfs/dbraw/zinc/04/36/54/559043654.db2.gz ZJMDHGNEEYLSFC-UHFFFAOYSA-N 0 0 403.460 3.909 50 5 HHBARN C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000011379425 559067385 /nfs/dbraw/zinc/06/73/85/559067385.db2.gz SBOIBRFAJHNCPK-CYBMUJFWSA-N 0 0 416.507 3.631 50 5 HHBARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000004810573 559068767 /nfs/dbraw/zinc/06/87/67/559068767.db2.gz TZWPLIYCPUYBPQ-UHFFFAOYSA-N 0 0 412.402 3.623 50 5 HHBARN O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000014008772 559141399 /nfs/dbraw/zinc/14/13/99/559141399.db2.gz LYYUBVFHAQURGS-UHFFFAOYSA-N 0 0 424.693 3.945 50 5 HHBARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])nc2c1 ZINC000004830391 559157327 /nfs/dbraw/zinc/15/73/27/559157327.db2.gz WWXRWCQSBDTLFO-UHFFFAOYSA-N 0 0 402.432 3.609 50 5 HHBARN COc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c2ccccc12 ZINC000004846126 559169152 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KZYXFWTYAIBGRU-WTKPLQERSA-N 0 0 401.850 3.619 50 5 HHBARN Cc1cccn2c1nc1c(cc(C(=O)N[C@@H](C)c3ccccc3)c(=N)n1C(C)C)c2=O ZINC000100630657 559246974 /nfs/dbraw/zinc/24/69/74/559246974.db2.gz XSKBONZWILGVIQ-INIZCTEOSA-N 0 0 415.497 3.509 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000005181298 559289667 /nfs/dbraw/zinc/28/96/67/559289667.db2.gz MMBBKRAMCRRHPN-QPJJXVBHSA-N 0 0 412.446 3.706 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000005181994 559289871 /nfs/dbraw/zinc/28/98/71/559289871.db2.gz JOQPYCHLQRJNOZ-BQYQJAHWSA-N 0 0 412.446 3.706 50 5 HHBARN Cc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc([N+](=O)[O-])c2)cc1C ZINC000005198537 559292234 /nfs/dbraw/zinc/29/22/34/559292234.db2.gz FRCRPGDOSMRBBQ-UHFFFAOYSA-N 0 0 414.421 3.972 50 5 HHBARN COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270771 560560903 /nfs/dbraw/zinc/56/09/03/560560903.db2.gz WLWAHOOFYPKNLB-UHFFFAOYSA-N 0 0 413.817 3.719 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000018127363 560779445 /nfs/dbraw/zinc/77/94/45/560779445.db2.gz DKUPHKMYSNNQSX-CEXWTWQISA-N 0 0 421.434 3.707 50 5 HHBARN CCC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000018135108 560779460 /nfs/dbraw/zinc/77/94/60/560779460.db2.gz NCBIPZXJULLCRK-FQEVSTJZSA-N 0 0 424.501 3.535 50 5 HHBARN CC(C)c1ccc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000005708786 560804877 /nfs/dbraw/zinc/80/48/77/560804877.db2.gz MWQZXHCDGFLPOO-UHFFFAOYSA-N 0 0 412.442 3.595 50 5 HHBARN O=c1c2ccccc2c2c(O)nc(-c3cccc([N+](=O)[O-])c3)n2n1Cc1ccccc1 ZINC000102931293 560835598 /nfs/dbraw/zinc/83/55/98/560835598.db2.gz TVCBFSRBIDZFMW-UHFFFAOYSA-N 0 0 412.405 3.978 50 5 HHBARN O=C(NCc1ccccc1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000000680002 568461019 /nfs/dbraw/zinc/46/10/19/568461019.db2.gz NEFAEVIJECLMCQ-UHFFFAOYSA-N 0 0 415.247 3.532 50 5 HHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000024869356 568473613 /nfs/dbraw/zinc/47/36/13/568473613.db2.gz LGLGXCDFPZNMSW-CVEARBPZSA-N 0 0 413.499 3.953 50 5 HHBARN CC(=O)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cc(Cl)ccc1Cl ZINC000000820900 568497819 /nfs/dbraw/zinc/49/78/19/568497819.db2.gz YNMJBVSLCIKUNO-UHFFFAOYSA-N 0 0 408.197 3.508 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 ZINC000000845687 568548602 /nfs/dbraw/zinc/54/86/02/568548602.db2.gz WUQBMXBDGUAPQJ-INIZCTEOSA-N 0 0 402.863 3.680 50 5 HHBARN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH]n2)cc1 ZINC000020531689 568627207 /nfs/dbraw/zinc/62/72/07/568627207.db2.gz GSHAQXAWQSCRKL-UHFFFAOYSA-N 0 0 405.458 3.510 50 5 HHBARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000021104818 568666974 /nfs/dbraw/zinc/66/69/74/568666974.db2.gz GCPYDEOREOHARO-FQEVSTJZSA-N 0 0 406.398 3.778 50 5 HHBARN C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 ZINC000021134208 568670165 /nfs/dbraw/zinc/67/01/65/568670165.db2.gz NQSXXGBNVTYTJR-ZIAGYGMSSA-N 0 0 400.456 3.596 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000867231 568723992 /nfs/dbraw/zinc/72/39/92/568723992.db2.gz JYCXTDKRQXMBEE-QGZVFWFLSA-N 0 0 400.822 3.823 50 5 HHBARN COc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000000998527 568759989 /nfs/dbraw/zinc/75/99/89/568759989.db2.gz IQGAWCOETWEXAN-UHFFFAOYSA-N 0 0 405.882 3.583 50 5 HHBARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001074406 568767080 /nfs/dbraw/zinc/76/70/80/568767080.db2.gz AXWPODREJAKEPQ-UHFFFAOYSA-N 0 0 405.410 3.772 50 5 aggregator HHBARN Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@@H](O)c1ccccc1 ZINC000001106043 568770104 /nfs/dbraw/zinc/77/01/04/568770104.db2.gz OPIJHEVWUOHSPT-AWEZNQCLSA-N 0 0 410.377 3.975 50 5 HHBARN CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc2c(c1)OCO2 ZINC000001123842 568771388 /nfs/dbraw/zinc/77/13/88/568771388.db2.gz BFVMIPUDZKDKQJ-UHFFFAOYSA-N 0 0 412.427 3.577 50 5 HHBARN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001135515 568773246 /nfs/dbraw/zinc/77/32/46/568773246.db2.gz NWTZRMJZOWWISN-UHFFFAOYSA-N 0 0 406.851 3.724 50 5 HHBARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])c2c(=O)[nH]c(=S)[nH]c2N1 ZINC000028294205 568784083 /nfs/dbraw/zinc/78/40/83/568784083.db2.gz LDAHILFDOQGGBY-CYBMUJFWSA-N 0 0 402.432 3.536 50 5 HHBARN Cc1ccc(-n2ncc3c2nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c3=O)cc1C ZINC000002718020 568802174 /nfs/dbraw/zinc/80/21/74/568802174.db2.gz XDVMQMRYNNOPLI-UHFFFAOYSA-N 0 0 407.455 3.926 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 ZINC000002711820 568802201 /nfs/dbraw/zinc/80/22/01/568802201.db2.gz JPXGKYXKUDSGFA-UHFFFAOYSA-N 0 0 411.892 3.542 50 5 HHBARN CCCCC(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000002819089 568812266 /nfs/dbraw/zinc/81/22/66/568812266.db2.gz QFBFVDZCWCLDJL-UHFFFAOYSA-N 0 0 401.419 3.750 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(Sc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000015164417 568818357 /nfs/dbraw/zinc/81/83/57/568818357.db2.gz YQUPHWJQAXVFPS-UHFFFAOYSA-N 0 0 424.500 3.548 50 5 HHBARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001205800 568823620 /nfs/dbraw/zinc/82/36/20/568823620.db2.gz KYHUUJQMJFCMCE-UHFFFAOYSA-N 0 0 423.450 3.599 50 5 HHBARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000057287620 568825758 /nfs/dbraw/zinc/82/57/58/568825758.db2.gz RLRNEVMQEBHGGA-UHFFFAOYSA-N 0 0 424.432 3.901 50 5 HHBARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000005925339 568829730 /nfs/dbraw/zinc/82/97/30/568829730.db2.gz CVLCRSRWPIFYRM-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057456083 568837917 /nfs/dbraw/zinc/83/79/17/568837917.db2.gz LVVMJCXRRUQNNZ-QGZVFWFLSA-N 0 0 419.485 3.601 50 5 HHBARN Cc1ccc(CS(=O)(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])cc1 ZINC000003017478 568838712 /nfs/dbraw/zinc/83/87/12/568838712.db2.gz IYZYNHWYHAOXGF-UHFFFAOYSA-N 0 0 416.499 3.749 50 5 HHBARN CC[C@@H](C)NC(=O)CSc1ccc(C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000003020902 568840245 /nfs/dbraw/zinc/84/02/45/568840245.db2.gz RKPFFRRPWINUOA-CYBMUJFWSA-N 0 0 417.487 3.863 50 5 HHBARN Cc1ccc(NN2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)c(C)c1 ZINC000003044975 568847712 /nfs/dbraw/zinc/84/77/12/568847712.db2.gz IOXJXEWXMILHNL-UHFFFAOYSA-N 0 0 406.354 3.896 50 5 HHBARN COc1cc(C=C2SC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003208904 568861501 /nfs/dbraw/zinc/86/15/01/568861501.db2.gz NICKPKJTMSTIRI-VIZOYTHASA-N 0 0 417.355 3.628 50 5 HHBARN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC ZINC000019159549 568865621 /nfs/dbraw/zinc/86/56/21/568865621.db2.gz FBFVFOJPRQIWBS-LBPRGKRZSA-N 0 0 412.398 3.912 50 5 HHBARN O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003245811 568867121 /nfs/dbraw/zinc/86/71/21/568867121.db2.gz VMCPYBWQPNDUJI-UHFFFAOYSA-N 0 0 400.774 3.903 50 5 HHBARN CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000003258013 568868639 /nfs/dbraw/zinc/86/86/39/568868639.db2.gz WGBPTZJHBSYIQT-MRXNPFEDSA-N 0 0 401.806 3.577 50 5 HHBARN COc1cc(OC)c(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)cc1OC ZINC000263585015 568878458 /nfs/dbraw/zinc/87/84/58/568878458.db2.gz DFLYOGVPONFZGC-UHFFFAOYSA-N 0 0 421.409 3.972 50 5 HHBARN Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000015357140 568879454 /nfs/dbraw/zinc/87/94/54/568879454.db2.gz LYWWNMYPMMYEHO-OZVIIMIRSA-N 0 0 401.492 3.780 50 5 HHBARN O=C(NCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000059023348 568882022 /nfs/dbraw/zinc/88/20/22/568882022.db2.gz QSWVGGCSEXHPMW-UHFFFAOYSA-N 0 0 403.744 3.815 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3ncccc3c2)c([N+](=O)[O-])c1 ZINC000058179700 568896118 /nfs/dbraw/zinc/89/61/18/568896118.db2.gz PCRZIUDDBSFVPB-UHFFFAOYSA-N 0 0 401.444 3.966 50 5 HHBARN COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000004148306 568916662 /nfs/dbraw/zinc/91/66/62/568916662.db2.gz FABQQKKIGCAGLX-UHFFFAOYSA-N 0 0 404.400 3.545 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000003666248 568923634 /nfs/dbraw/zinc/92/36/34/568923634.db2.gz QOSMKEBOQCPLED-KRWDZBQOSA-N 0 0 401.444 3.553 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000004043758 568935730 /nfs/dbraw/zinc/93/57/30/568935730.db2.gz UEVPSEKVGOVQSS-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000015565716 568949638 /nfs/dbraw/zinc/94/96/38/568949638.db2.gz QTGWVODRFISSFL-OAHLLOKOSA-N 0 0 419.231 3.875 50 5 HHBARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000012771260 568951899 /nfs/dbraw/zinc/95/18/99/568951899.db2.gz DVLOZLYPZMTWQZ-NWDGAFQWSA-N 0 0 403.410 3.895 50 5 HHBARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000012787857 568960511 /nfs/dbraw/zinc/96/05/11/568960511.db2.gz ZRGXWENPZMCPAJ-UHFFFAOYSA-N 0 0 421.519 3.714 50 5 HHBARN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000038262526 568983095 /nfs/dbraw/zinc/98/30/95/568983095.db2.gz OPCOBADGNDINHZ-UHFFFAOYSA-N 0 0 412.467 3.995 50 5 HHBARN O=C(Nc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1)Nc1ccc(Cl)cc1 ZINC000001612446 569031153 /nfs/dbraw/zinc/03/11/53/569031153.db2.gz COKDYOPTGDZHOL-UHFFFAOYSA-N 0 0 404.726 3.850 50 5 HHBARN COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000006406983 569046727 /nfs/dbraw/zinc/04/67/27/569046727.db2.gz HXCVFFAZCPVBNV-UHFFFAOYSA-N 0 0 415.427 3.753 50 5 HHBARN Nc1nc(NC(Cc2ccco2)Cc2ccco2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000035681947 569048996 /nfs/dbraw/zinc/04/89/96/569048996.db2.gz VSPOMQKMNGYZKG-UHFFFAOYSA-N 0 0 424.417 3.624 50 5 HHBARN CCOC(=O)c1c(C)oc2ccc(Oc3nc4ccccn4c(=O)c3[N+](=O)[O-])cc21 ZINC000026706291 569053244 /nfs/dbraw/zinc/05/32/44/569053244.db2.gz PRJDMJLFNFISBN-UHFFFAOYSA-N 0 0 409.354 3.626 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000006453802 569053518 /nfs/dbraw/zinc/05/35/18/569053518.db2.gz DBCYELWPIWOYFV-UHFFFAOYSA-N 0 0 413.213 3.635 50 5 HHBARN CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1 ZINC000026770629 569056541 /nfs/dbraw/zinc/05/65/41/569056541.db2.gz UPOXKUKUWZYRQV-UHFFFAOYSA-N 0 0 402.447 3.733 50 5 HHBARN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016515680 569058365 /nfs/dbraw/zinc/05/83/65/569058365.db2.gz BRVCBGPWOHWNIG-AWEZNQCLSA-N 0 0 422.407 3.763 50 5 HHBARN Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036046383 569082518 /nfs/dbraw/zinc/08/25/18/569082518.db2.gz LYWWNMYPMMYEHO-BFQNTYOBSA-N 0 0 401.492 3.780 50 5 HHBARN C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)NC[C@@H](O)c1ccccc1 ZINC000006659864 569084001 /nfs/dbraw/zinc/08/40/01/569084001.db2.gz BRWGPMGYXODUQH-QVKFZJNVSA-N 0 0 403.434 3.563 50 5 HHBARN Cc1cccc(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000007427348 569238429 /nfs/dbraw/zinc/23/84/29/569238429.db2.gz VZABGJBQJYEVJX-UHFFFAOYSA-N 0 0 418.471 3.667 50 5 HHBARN CCc1cnc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])o1 ZINC000170598731 569242599 /nfs/dbraw/zinc/24/25/99/569242599.db2.gz BIDQSMNADBLGHH-UHFFFAOYSA-N 0 0 422.507 3.614 50 5 HHBARN COc1ccccc1N(C(C)=O)c1nc(COc2cccnc2[N+](=O)[O-])cs1 ZINC000007545402 569248691 /nfs/dbraw/zinc/24/86/91/569248691.db2.gz ZMSBVSTVSHSYKN-UHFFFAOYSA-N 0 0 400.416 3.719 50 5 HHBARN O=C(CCOc1ccc([N+](=O)[O-])cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000170629868 569250918 /nfs/dbraw/zinc/25/09/18/569250918.db2.gz YJEQMPWYPXIAFG-UHFFFAOYSA-N 0 0 400.275 3.707 50 5 HHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000016742218 569261920 /nfs/dbraw/zinc/26/19/20/569261920.db2.gz TWSBJQNQTRYYCJ-FQEVSTJZSA-N 0 0 424.478 3.578 50 5 HHBARN Cc1nn(Cc2c(C)onc2C(=O)Nc2cccc(Cl)c2C)c(C)c1[N+](=O)[O-] ZINC000017082761 569273155 /nfs/dbraw/zinc/27/31/55/569273155.db2.gz LMEPSVDUEZGXQO-UHFFFAOYSA-N 0 0 403.826 3.967 50 5 HHBARN Cc1ccc(N2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000170640761 569283310 /nfs/dbraw/zinc/28/33/10/569283310.db2.gz SEAJBCXKKQYYQU-UHFFFAOYSA-N 0 0 408.502 3.856 50 5 HHBARN Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3ccccc3c(=O)oc12 ZINC000002111761 569284077 /nfs/dbraw/zinc/28/40/77/569284077.db2.gz HZWVSGUDWHUFOI-CRICUBBOSA-N 0 0 421.493 3.787 50 5 biogenic HHBARN COc1ccc(N(C(C)=O)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000037559617 569306823 /nfs/dbraw/zinc/30/68/23/569306823.db2.gz XSVRFCGSEGBCMR-UHFFFAOYSA-N 0 0 413.474 3.630 50 5 HHBARN CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000007889799 569315405 /nfs/dbraw/zinc/31/54/05/569315405.db2.gz WSTNJDJRAJZMBC-OAQYLSRUSA-N 0 0 400.431 3.648 50 5 HHBARN O=C1S[C@@H](Nc2ccc(Br)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000002272895 569326547 /nfs/dbraw/zinc/32/65/47/569326547.db2.gz GFUKYGATKQOAAS-CQSZACIVSA-N 0 0 422.260 3.991 50 5 HHBARN COc1ccc(Br)cc1C(=O)Nc1cc2cccc([N+](=O)[O-])c2oc1=O ZINC000027520407 569328007 /nfs/dbraw/zinc/32/80/07/569328007.db2.gz QDYSKOAURUAEOL-UHFFFAOYSA-N 0 0 419.187 3.725 50 5 HHBARN COCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000002308298 569372701 /nfs/dbraw/zinc/37/27/01/569372701.db2.gz FIJMTEDSBZGSED-UHFFFAOYSA-N 0 0 413.481 3.937 50 5 HHBARN O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009120772 569391490 /nfs/dbraw/zinc/39/14/90/569391490.db2.gz NMBKEHBYDRJCDZ-UHFFFAOYSA-N 0 0 424.682 3.973 50 5 HHBARN CCc1c(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000027842754 569398610 /nfs/dbraw/zinc/39/86/10/569398610.db2.gz CFYRXJSCNXPYKO-QGZVFWFLSA-N 0 0 419.485 3.599 50 5 HHBARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000012619855 569402134 /nfs/dbraw/zinc/40/21/34/569402134.db2.gz QSHCFIXTBYMLCG-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN Cc1c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000012973431 569405457 /nfs/dbraw/zinc/40/54/57/569405457.db2.gz FPCFBVYKOBHQIO-IBGZPJMESA-N 0 0 411.458 3.840 50 5 HHBARN Cc1sc2nc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)[nH]c(=O)c2c1C ZINC000013112909 569409261 /nfs/dbraw/zinc/40/92/61/569409261.db2.gz BJICEHAXGDOUAU-UHFFFAOYSA-N 0 0 419.484 3.810 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000013370264 569412399 /nfs/dbraw/zinc/41/23/99/569412399.db2.gz AOWVWHNMVQTOPR-SFQUDFHCSA-N 0 0 422.353 3.506 50 5 HHBARN Cn1ccnc1C(=O)c1ccc(NCc2ncoc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000079061636 569426338 /nfs/dbraw/zinc/42/63/38/569426338.db2.gz OOIDFFHCGQUMJV-UHFFFAOYSA-N 0 0 403.398 3.826 50 5 HHBARN COc1ccc(NC=C2N=C(c3ccc(Br)cc3)OC2=O)c([N+](=O)[O-])c1 ZINC000008672958 571100344 /nfs/dbraw/zinc/10/03/44/571100344.db2.gz MCENEZKBYAFPBB-ZROIWOOFSA-N 0 0 418.203 3.623 50 5 HHBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008691818 571101983 /nfs/dbraw/zinc/10/19/83/571101983.db2.gz UOHYFGPQMGNOFS-UHFFFAOYSA-N 0 0 412.383 3.890 50 5 HHBARN COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000008749293 571111861 /nfs/dbraw/zinc/11/18/61/571111861.db2.gz IAFZNJLHGXXGLT-GFCCVEGCSA-N 0 0 407.854 3.724 50 5 HHBARN COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000008749290 571111870 /nfs/dbraw/zinc/11/18/70/571111870.db2.gz IAFZNJLHGXXGLT-LBPRGKRZSA-N 0 0 407.854 3.724 50 5 HHBARN CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000008765781 571114040 /nfs/dbraw/zinc/11/40/40/571114040.db2.gz PHTIYFZSAHRDQW-UHFFFAOYSA-N 0 0 416.411 3.594 50 5 HHBARN Cc1csc(Sc2ccc(C(=O)NCCCn3ccnc3)cc2[N+](=O)[O-])n1 ZINC000008778720 571118481 /nfs/dbraw/zinc/11/84/81/571118481.db2.gz AMXBGESNXCUVEY-UHFFFAOYSA-N 0 0 403.489 3.528 50 5 HHBARN CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)OCC)c1C ZINC000008856947 571128435 /nfs/dbraw/zinc/12/84/35/571128435.db2.gz QYVWTNYDMZAXAN-UHFFFAOYSA-N 0 0 420.443 3.879 50 5 HHBARN Cc1c([C@H](C)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000040068539 571148886 /nfs/dbraw/zinc/14/88/86/571148886.db2.gz UEGAEWMPODBLJK-ZDUSSCGKSA-N 0 0 411.437 3.785 50 5 HHBARN Cc1c(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cccc1[N+](=O)[O-] ZINC000040127374 571179019 /nfs/dbraw/zinc/17/90/19/571179019.db2.gz PDVWRCJYGWXINZ-UHFFFAOYSA-N 0 0 407.473 3.587 50 5 HHBARN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040148920 571196726 /nfs/dbraw/zinc/19/67/26/571196726.db2.gz ZTYYUJBFPPGHMU-NSHDSACASA-N 0 0 423.256 3.788 50 5 HHBARN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000040153036 571200706 /nfs/dbraw/zinc/20/07/06/571200706.db2.gz HZADVHUTHXSAMI-FQEVSTJZSA-N 0 0 416.437 3.819 50 5 HHBARN O=C(c1ccccc1)c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000040153778 571201210 /nfs/dbraw/zinc/20/12/10/571201210.db2.gz YNQUSDNEUWTHMR-GOSISDBHSA-N 0 0 403.442 3.697 50 5 HHBARN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040155902 571202871 /nfs/dbraw/zinc/20/28/71/571202871.db2.gz FEOFDCGFBXDTTO-HNNXBMFYSA-N 0 0 413.352 3.517 50 5 HHBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1 ZINC000009009612 571210093 /nfs/dbraw/zinc/21/00/93/571210093.db2.gz QJSQWSSTSJCCFR-LJQANCHMSA-N 0 0 417.352 3.985 50 5 HHBARN CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O ZINC000245326894 571224540 /nfs/dbraw/zinc/22/45/40/571224540.db2.gz MZVZMHPMTUOEQK-AVRDEDQJSA-N 0 0 422.441 3.642 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc(-n2ccnc2)cc1 ZINC000009517050 571265100 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0 419.532 3.896 50 5 HHBARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000000672419 568460766 /nfs/dbraw/zinc/46/07/66/568460766.db2.gz DBLRENLKCHPWCI-UHFFFAOYSA-N 0 0 415.402 3.787 50 5 HHBARN CCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000714620 568464739 /nfs/dbraw/zinc/46/47/39/568464739.db2.gz DJIHXHYPPBWYFO-LJQANCHMSA-N 0 0 421.375 3.696 50 5 HHBARN O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000752739 568471297 /nfs/dbraw/zinc/47/12/97/568471297.db2.gz ABXAKOFLFBQHFO-UHFFFAOYSA-N 0 0 419.441 3.659 50 5 HHBARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000823767 568497981 /nfs/dbraw/zinc/49/79/81/568497981.db2.gz LGZWIPMNDYXXPN-UHFFFAOYSA-N 0 0 404.378 3.887 50 5 aggregator HHBARN O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCCC1 ZINC000000845322 568543346 /nfs/dbraw/zinc/54/33/46/568543346.db2.gz LPRCRVOPZNHRRV-UHFFFAOYSA-N 0 0 405.336 3.559 50 5 HHBARN Cc1ccc(N2C(=O)c3cccc4c(NCCO)c([N+](=O)[O-])cc(c34)C2=O)cc1C ZINC000095470804 568626180 /nfs/dbraw/zinc/62/61/80/568626180.db2.gz FXRAJGRJJZTADU-UHFFFAOYSA-N 0 0 405.410 3.570 50 5 HHBARN Cc1ccc(N2CCN(c3ccc(N4C(=O)C[C@@H](C)C4=O)cc3[N+](=O)[O-])C[C@H]2C)cc1 ZINC000020740601 568641174 /nfs/dbraw/zinc/64/11/74/568641174.db2.gz XZXYUHAMURVODJ-IAGOWNOFSA-N 0 0 422.485 3.518 50 5 HHBARN CC[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000095945077 568663230 /nfs/dbraw/zinc/66/32/30/568663230.db2.gz QKIXBAJHZOWTKT-HNNXBMFYSA-N 0 0 412.895 3.518 50 5 HHBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@]1(C)c1ccc(Br)cc1 ZINC000021090708 568664114 /nfs/dbraw/zinc/66/41/14/568664114.db2.gz GNCYLISZWWTIFP-KRWDZBQOSA-N 0 0 404.220 3.771 50 5 HHBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000021106843 568667333 /nfs/dbraw/zinc/66/73/33/568667333.db2.gz YZLSJZPLQKCSQA-NRFANRHFSA-N 0 0 420.425 3.774 50 5 HHBARN CC(=O)Nc1nc(COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cs1 ZINC000096003407 568681824 /nfs/dbraw/zinc/68/18/24/568681824.db2.gz WMIOXWFRQYSNNY-UHFFFAOYSA-N 0 0 423.248 3.899 50 5 HHBARN CCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)COCc1ccccc1 ZINC000096277218 568715904 /nfs/dbraw/zinc/71/59/04/568715904.db2.gz CEENAPXKKIKSMF-UHFFFAOYSA-N 0 0 424.457 3.643 50 5 HHBARN O=C(NCCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000096278120 568716457 /nfs/dbraw/zinc/71/64/57/568716457.db2.gz WPUIKWCKIZWTNP-UHFFFAOYSA-N 0 0 406.320 3.636 50 5 HHBARN O=C(N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000889266 568736862 /nfs/dbraw/zinc/73/68/62/568736862.db2.gz BXVXVZJIFVVCCK-JTQLQIEISA-N 0 0 414.723 3.857 50 5 HHBARN COc1cccc(-c2noc(-c3cccn4c(=O)c5ccccc5nc34)n2)c1OC ZINC000021730396 568751867 /nfs/dbraw/zinc/75/18/67/568751867.db2.gz DGIUXDCDCADINP-UHFFFAOYSA-N 0 0 400.394 3.582 50 5 HHBARN COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 ZINC000000943832 568752905 /nfs/dbraw/zinc/75/29/05/568752905.db2.gz WAQXGTAIAQYBKK-NSHDSACASA-N 0 0 404.444 3.585 50 5 HHBARN O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000943247 568753559 /nfs/dbraw/zinc/75/35/59/568753559.db2.gz GUAKDXOZCPXPSK-UHFFFAOYSA-N 0 0 413.385 3.538 50 5 HHBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021848354 568754699 /nfs/dbraw/zinc/75/46/99/568754699.db2.gz DRPQVYXEYKCUQN-CQSZACIVSA-N 0 0 422.407 3.763 50 5 HHBARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000015117480 568756793 /nfs/dbraw/zinc/75/67/93/568756793.db2.gz OBSZFHVRQYGTHB-UHFFFAOYSA-N 0 0 420.425 3.727 50 5 HHBARN C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025211007 568759330 /nfs/dbraw/zinc/75/93/30/568759330.db2.gz DDZATNIZOZODAO-GFCCVEGCSA-N 0 0 402.838 3.814 50 5 HHBARN COc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1Br ZINC000001041621 568764459 /nfs/dbraw/zinc/76/44/59/568764459.db2.gz DRYJGHWTNVMWTD-RIYZIHGNSA-N 0 0 403.188 3.710 50 5 HHBARN O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000022204081 568765252 /nfs/dbraw/zinc/76/52/52/568765252.db2.gz PYXMMJJNVSDPPF-OAHLLOKOSA-N 0 0 402.665 3.811 50 5 HHBARN O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1cc2ccccc2oc1=O ZINC000001066827 568766647 /nfs/dbraw/zinc/76/66/47/568766647.db2.gz CJHJEXWSDDUGMO-UHFFFAOYSA-N 0 0 408.288 3.895 50 5 HHBARN O=C(OCc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001116079 568770713 /nfs/dbraw/zinc/77/07/13/568770713.db2.gz FCILIHNZVONXJE-UHFFFAOYSA-N 0 0 415.398 3.924 50 5 HHBARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000001116468 568770810 /nfs/dbraw/zinc/77/08/10/568770810.db2.gz XRGVPNOEWHICOW-UHFFFAOYSA-N 0 0 417.487 3.576 50 5 HHBARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000001132514 568773328 /nfs/dbraw/zinc/77/33/28/568773328.db2.gz WBYPQYMGJNIIJJ-UHFFFAOYSA-N 0 0 417.849 3.748 50 5 HHBARN C[C@@H](NC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 ZINC000225653703 568778182 /nfs/dbraw/zinc/77/81/82/568778182.db2.gz YVDHRELXRVNGPN-OAHLLOKOSA-N 0 0 401.422 3.940 50 5 HHBARN CO[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1 ZINC000225835260 568782862 /nfs/dbraw/zinc/78/28/62/568782862.db2.gz MQZPRWDQPBXLIA-CYBMUJFWSA-N 0 0 405.259 3.568 50 5 HHBARN CSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000002603010 568785437 /nfs/dbraw/zinc/78/54/37/568785437.db2.gz QXXMPSKMQBYYTL-GOSISDBHSA-N 0 0 409.427 3.613 50 5 HHBARN COc1cc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)c([N+](=O)[O-])cc1OC ZINC000002658187 568796112 /nfs/dbraw/zinc/79/61/12/568796112.db2.gz MTXILTZFKCWCJA-QPEQYQDCSA-N 0 0 422.315 3.975 50 5 HHBARN Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000002703623 568801803 /nfs/dbraw/zinc/80/18/03/568801803.db2.gz HIVIQHPMTSOPKT-MRXNPFEDSA-N 0 0 420.406 3.611 50 5 HHBARN Cc1ccc2nc(NC(=O)c3ccn(COc4ccccc4[N+](=O)[O-])n3)sc2c1 ZINC000002800494 568810780 /nfs/dbraw/zinc/81/07/80/568810780.db2.gz VBXINEFUILBCPK-UHFFFAOYSA-N 0 0 409.427 3.998 50 5 HHBARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000002829034 568812392 /nfs/dbraw/zinc/81/23/92/568812392.db2.gz XPIAVRMBUFGREZ-UHFFFAOYSA-N 0 0 400.460 3.850 50 5 HHBARN COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)O2)cc1Br ZINC000002945837 568819990 /nfs/dbraw/zinc/81/99/90/568819990.db2.gz QQHOZZNMYRRITC-UKTHLTGXSA-N 0 0 403.188 3.710 50 5 HHBARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000001179674 568820024 /nfs/dbraw/zinc/82/00/24/568820024.db2.gz BSEULLFKUPKDHR-XMMPIXPASA-N 0 0 416.433 3.911 50 5 HHBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC1CCCCC1 ZINC000001196482 568822621 /nfs/dbraw/zinc/82/26/21/568822621.db2.gz GFHPEVLTOKRVOJ-UHFFFAOYSA-N 0 0 417.487 3.767 50 5 HHBARN O=C(NCc1ccc(-n2cccn2)nc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012522981 568842338 /nfs/dbraw/zinc/84/23/38/568842338.db2.gz RDIUQAMYTXASQC-UHFFFAOYSA-N 0 0 414.425 3.849 50 5 HHBARN O=C(N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000003217853 568862996 /nfs/dbraw/zinc/86/29/96/568862996.db2.gz WDEBWQVPVVEHFW-SNVBAGLBSA-N 0 0 414.723 3.857 50 5 HHBARN CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000012585696 568866267 /nfs/dbraw/zinc/86/62/67/568866267.db2.gz NDMFBUDFQVFLRB-NSHDSACASA-N 0 0 402.838 3.596 50 5 HHBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003271818 568870614 /nfs/dbraw/zinc/87/06/14/568870614.db2.gz LHHSKXWNYCCFER-UHFFFAOYSA-N 0 0 409.729 3.519 50 5 HHBARN COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])cc1OC ZINC000012613685 568871915 /nfs/dbraw/zinc/87/19/15/568871915.db2.gz SVGSNHPXAPFKGA-UHFFFAOYSA-N 0 0 413.455 3.974 50 5 HHBARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000012619802 568872430 /nfs/dbraw/zinc/87/24/30/568872430.db2.gz GHKHJKDHBJEQMV-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c1 ZINC000057994097 568873427 /nfs/dbraw/zinc/87/34/27/568873427.db2.gz VXEMURZEPJNYPI-CQSZACIVSA-N 0 0 405.520 3.618 50 5 HHBARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003302564 568876921 /nfs/dbraw/zinc/87/69/21/568876921.db2.gz SHOGLEANBMTSOK-UHFFFAOYSA-N 0 0 409.398 3.621 50 5 HHBARN Cc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000003305096 568877388 /nfs/dbraw/zinc/87/73/88/568877388.db2.gz FVSCUEPWDAIYHL-UHFFFAOYSA-N 0 0 417.727 3.766 50 5 HHBARN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004065200 568881383 /nfs/dbraw/zinc/88/13/83/568881383.db2.gz ZYEHDINWTYJLFE-UHFFFAOYSA-N 0 0 413.345 3.564 50 5 HHBARN C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003436295 568902738 /nfs/dbraw/zinc/90/27/38/568902738.db2.gz PBQQRLJRERSLEL-CGAJTASUSA-N 0 0 418.789 3.561 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1Cl ZINC000003445593 568904472 /nfs/dbraw/zinc/90/44/72/568904472.db2.gz ODZPDFVJFQWAKI-QMMMGPOBSA-N 0 0 414.748 3.719 50 5 HHBARN COc1cc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c([N+](=O)[O-])cc1OC ZINC000005441772 568906853 /nfs/dbraw/zinc/90/68/53/568906853.db2.gz MUFYGNAHDCSCJO-UHFFFAOYSA-N 0 0 413.430 3.690 50 5 HHBARN Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c(C)n1C[C@@H]1CCCO1 ZINC000003542702 568913992 /nfs/dbraw/zinc/91/39/92/568913992.db2.gz KFIBTFKLRUJECA-INIZCTEOSA-N 0 0 400.431 3.540 50 5 HHBARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000012756995 568944277 /nfs/dbraw/zinc/94/42/77/568944277.db2.gz ZUTFJRICSCPRHT-PHIMTYICSA-N 0 0 410.883 3.566 50 5 HHBARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015604036 568954147 /nfs/dbraw/zinc/95/41/47/568954147.db2.gz SXZHXRIQZBFSEL-ZGBFETHSSA-N 0 0 410.426 3.847 50 5 HHBARN CSc1ccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000012899875 569020595 /nfs/dbraw/zinc/02/05/95/569020595.db2.gz IHYPSXCDHGCXMC-GOEBONIOSA-N 0 0 413.499 3.889 50 5 HHBARN CSc1ccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000012899869 569020627 /nfs/dbraw/zinc/02/06/27/569020627.db2.gz IHYPSXCDHGCXMC-HOCLYGCPSA-N 0 0 413.499 3.889 50 5 HHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 ZINC000015913836 569020745 /nfs/dbraw/zinc/02/07/45/569020745.db2.gz GDUXLOLUKGITGV-MRXNPFEDSA-N 0 0 420.347 3.880 50 5 HHBARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012917724 569022656 /nfs/dbraw/zinc/02/26/56/569022656.db2.gz MTWHRZDTEXKCHY-UHFFFAOYSA-N 0 0 404.220 3.502 50 5 HHBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012927328 569024000 /nfs/dbraw/zinc/02/40/00/569024000.db2.gz YVCAIJLYDSAWNI-INIZCTEOSA-N 0 0 403.847 3.835 50 5 HHBARN COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000012939539 569028217 /nfs/dbraw/zinc/02/82/17/569028217.db2.gz ZPEABZPWZGSAOF-UHFFFAOYSA-N 0 0 421.356 3.584 50 5 HHBARN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1 ZINC000016197016 569029747 /nfs/dbraw/zinc/02/97/47/569029747.db2.gz AYLOYUYTZBNWSP-SFHVURJKSA-N 0 0 400.456 3.837 50 5 HHBARN COc1ccc(NC(=O)[C@H](C)Sc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000026482120 569032326 /nfs/dbraw/zinc/03/23/26/569032326.db2.gz KXTIBZKBTZVIEX-QMMMGPOBSA-N 0 0 402.354 3.532 50 5 HHBARN COC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000012980878 569046349 /nfs/dbraw/zinc/04/63/49/569046349.db2.gz STJXBPMNBWUROZ-SNVBAGLBSA-N 0 0 409.778 3.767 50 5 HHBARN O=C(CCc1ccc(OC(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000012999523 569049192 /nfs/dbraw/zinc/04/91/92/569049192.db2.gz MPHXCMJBSJOWKT-UHFFFAOYSA-N 0 0 408.357 3.929 50 5 HHBARN O=c1cc(C(F)(F)F)c2ccc(Oc3ncc([N+](=O)[O-])c(NC4CC4)n3)cc2o1 ZINC000026692202 569053038 /nfs/dbraw/zinc/05/30/38/569053038.db2.gz XRDOEDOBUDIRKM-UHFFFAOYSA-N 0 0 408.292 3.877 50 5 HHBARN CCOc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c([N+](=O)[O-])cc1OC ZINC000026782702 569056618 /nfs/dbraw/zinc/05/66/18/569056618.db2.gz RHDKJLXWHHWMEQ-UHFFFAOYSA-N 0 0 410.810 3.925 50 5 HHBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006552570 569065346 /nfs/dbraw/zinc/06/53/46/569065346.db2.gz AWLUHLKDUWFLOH-UHFFFAOYSA-N 0 0 403.244 3.678 50 5 HHBARN C[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006648310 569080941 /nfs/dbraw/zinc/08/09/41/569080941.db2.gz DUWHQYHYOODPNX-CYBMUJFWSA-N 0 0 404.854 3.524 50 5 HHBARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000006988145 569195951 /nfs/dbraw/zinc/19/59/51/569195951.db2.gz MFWJYJCIBUQTDX-UHFFFAOYSA-N 0 0 404.220 3.736 50 5 HHBARN Cc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn32)c(C)c1 ZINC000036619544 569210772 /nfs/dbraw/zinc/21/07/72/569210772.db2.gz YGERRBUGOFFONA-OAHLLOKOSA-N 0 0 416.441 3.807 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000170596307 569241853 /nfs/dbraw/zinc/24/18/53/569241853.db2.gz VLILMZOPXHBEPZ-OAHLLOKOSA-N 0 0 422.416 3.773 50 5 HHBARN Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000007509056 569243609 /nfs/dbraw/zinc/24/36/09/569243609.db2.gz RJDPIRCHVABXRL-UHFFFAOYSA-N 0 0 415.409 3.558 50 5 HHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000007537626 569246887 /nfs/dbraw/zinc/24/68/87/569246887.db2.gz PRFHWBZOWGZYTB-UHFFFAOYSA-N 0 0 402.834 3.844 50 5 HHBARN Cc1cccc2nc(CNC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000170623486 569249812 /nfs/dbraw/zinc/24/98/12/569249812.db2.gz MZZOBBBXYYIGRH-HZPDHXFCSA-N 0 0 421.501 3.963 50 5 HHBARN Cc1cccc2nc(CNC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000170623485 569249816 /nfs/dbraw/zinc/24/98/16/569249816.db2.gz MZZOBBBXYYIGRH-HOTGVXAUSA-N 0 0 421.501 3.963 50 5 HHBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000017045099 569272047 /nfs/dbraw/zinc/27/20/47/569272047.db2.gz ZXABMUGOSSOPLJ-CGYQNGNCSA-N 0 0 417.421 3.564 50 5 HHBARN CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCn1cc([N+](=O)[O-])cn1 ZINC000017088124 569273983 /nfs/dbraw/zinc/27/39/83/569273983.db2.gz RYBJOUCZDRJKRI-UHFFFAOYSA-N 0 0 408.871 3.693 50 5 HHBARN O=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000017093463 569274523 /nfs/dbraw/zinc/27/45/23/569274523.db2.gz INMIAHKJILZRAH-UHFFFAOYSA-N 0 0 423.300 3.658 50 5 HHBARN O=C1Nc2ccc(F)cc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1ccccc1 ZINC000252427023 569285207 /nfs/dbraw/zinc/28/52/07/569285207.db2.gz ROOZGBRVYQBIBP-ZZLPTCMGSA-N 0 0 403.413 3.747 50 5 HHBARN COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007652724 569299133 /nfs/dbraw/zinc/29/91/33/569299133.db2.gz REVKMPBWKXUEOL-UHFFFAOYSA-N 0 0 402.428 3.588 50 5 HHBARN C[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037521932 569303174 /nfs/dbraw/zinc/30/31/74/569303174.db2.gz UIHUFMJSYRSYDI-NSHDSACASA-N 0 0 408.241 3.779 50 5 HHBARN COCCNc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000007814243 569312642 /nfs/dbraw/zinc/31/26/42/569312642.db2.gz MULGBBABMVOZHC-XSXQVXRUSA-N 0 0 401.507 3.988 50 5 HHBARN COc1ccc(-c2noc(CCCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000002230181 569317531 /nfs/dbraw/zinc/31/75/31/569317531.db2.gz IJDICRKNOOZJTK-UHFFFAOYSA-N 0 0 412.402 3.623 50 5 HHBARN CCOc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000009089709 569391598 /nfs/dbraw/zinc/39/15/98/569391598.db2.gz BDNKPSSZKUZZPX-UHFFFAOYSA-N 0 0 424.276 3.883 50 5 HHBARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000009355147 569392482 /nfs/dbraw/zinc/39/24/82/569392482.db2.gz JAPDHGLXGCMZLG-UHFFFAOYSA-N 0 0 422.466 3.716 50 5 HHBARN Cc1cc(F)cc(C(=O)Nc2ccc(I)cc2)c1[N+](=O)[O-] ZINC000079054590 569425804 /nfs/dbraw/zinc/42/58/04/569425804.db2.gz HYYUYPQKTKGHQN-UHFFFAOYSA-N 0 0 400.147 3.899 50 5 HHBARN COc1cccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC ZINC000019869004 569432280 /nfs/dbraw/zinc/43/22/80/569432280.db2.gz FFMCRDMZHILBGE-YBEGLDIGSA-N 0 0 400.412 3.849 50 5 HHBARN COc1ccc(NC(=O)CCc2ccc(OC)c(Br)c2)c([N+](=O)[O-])c1 ZINC000040059847 571143593 /nfs/dbraw/zinc/14/35/93/571143593.db2.gz HTFONIJSUDLKLY-UHFFFAOYSA-N 0 0 409.236 3.946 50 5 HHBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(Cc2cccs2)n(C)c1=S ZINC000040091168 571161212 /nfs/dbraw/zinc/16/12/12/571161212.db2.gz GSDSTEXTGLLDRY-GFCCVEGCSA-N 0 0 401.517 3.920 50 5 HHBARN Cc1c(CSc2nnc(-c3ccccc3Br)n2N)cccc1[N+](=O)[O-] ZINC000040122973 571178783 /nfs/dbraw/zinc/17/87/83/571178783.db2.gz RZUVBOWAVDXOCB-UHFFFAOYSA-N 0 0 420.292 3.930 50 5 HHBARN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040148921 571196694 /nfs/dbraw/zinc/19/66/94/571196694.db2.gz ZTYYUJBFPPGHMU-LLVKDONJSA-N 0 0 423.256 3.788 50 5 HHBARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009056928 571216900 /nfs/dbraw/zinc/21/69/00/571216900.db2.gz LCVIXEGDQSAXPU-UHFFFAOYSA-N 0 0 420.834 3.941 50 5 HHBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1[N+](=O)[O-] ZINC000009404447 571255247 /nfs/dbraw/zinc/25/52/47/571255247.db2.gz AADIYBMQRUJROD-UHFFFAOYSA-N 0 0 411.399 3.688 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(Sc2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000009684427 571279491 /nfs/dbraw/zinc/27/94/91/571279491.db2.gz GFZOADWUNPALJT-UHFFFAOYSA-N 0 0 420.516 3.663 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000010187868 571296265 /nfs/dbraw/zinc/29/62/65/571296265.db2.gz IASMFFMRZJBHIS-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN O=C(COc1ccccc1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002864014 571306605 /nfs/dbraw/zinc/30/66/05/571306605.db2.gz MUGSHCZNLAXEPH-UHFFFAOYSA-N 0 0 414.468 3.610 50 5 HHBARN CC(C)(C)c1ccc(-c2cn(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2N)cc1 ZINC000001069961 960459172 /nfs/dbraw/zinc/45/91/72/960459172.db2.gz ADCADIHYBLFSNE-UHFFFAOYSA-N 0 0 400.460 3.575 50 5 HHBARN CCNC(=O)COc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1OC ZINC000006852412 960946285 /nfs/dbraw/zinc/94/62/85/960946285.db2.gz XIHKGSSIXBPYJE-VQHVLOKHSA-N 0 0 407.426 3.837 50 5 HHBARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000009883132 961703216 /nfs/dbraw/zinc/70/32/16/961703216.db2.gz XPSRQLLCFIICPE-QPJJXVBHSA-N 0 0 412.295 3.948 50 5 HHBARN O=c1c2c3c(sc2nc2c4ccccc4c(N4CCOCC4)nn12)CCCCC3 ZINC000000719364 132231765 /nfs/dbraw/zinc/23/17/65/132231765.db2.gz JWTWCANTURADLD-UHFFFAOYSA-N 0 0 406.511 3.563 50 5 HHBARN COc1ccc(Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2[N+](=O)[O-])cc1 ZINC000003878879 132268970 /nfs/dbraw/zinc/26/89/70/132268970.db2.gz VVFHJUFPAGTDCL-UHFFFAOYSA-N 0 0 418.409 3.946 50 5 HHBARN C[C@H]1CC(=O)N(c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000004684373 132282838 /nfs/dbraw/zinc/28/28/38/132282838.db2.gz GIGMBVZXRSUHHG-INIZCTEOSA-N 0 0 407.470 3.953 50 5 HHBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004810363 132289180 /nfs/dbraw/zinc/28/91/80/132289180.db2.gz HSYDLNZSXVGHRJ-SCUMNGBJSA-N 0 0 413.518 3.766 50 5 HHBARN CC1CCN(c2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])CC1 ZINC000008163768 132328154 /nfs/dbraw/zinc/32/81/54/132328154.db2.gz QAGFDURMHPSPHZ-UHFFFAOYSA-N 0 0 411.458 3.532 50 5 HHBARN O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 ZINC000009601757 132341464 /nfs/dbraw/zinc/34/14/64/132341464.db2.gz VLQPLZZTZGAEKW-UHFFFAOYSA-N 0 0 424.432 3.901 50 5 HHBARN O=C(OCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000012522487 132361669 /nfs/dbraw/zinc/36/16/69/132361669.db2.gz FVLPDXZCQILJAJ-UHFFFAOYSA-N 0 0 410.348 3.807 50 5 HHBARN CN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012558530 132363916 /nfs/dbraw/zinc/36/39/16/132363916.db2.gz AGQJNAJYGDFJEN-UHFFFAOYSA-N 0 0 401.438 3.875 50 5 HHBARN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000020625139 132470409 /nfs/dbraw/zinc/47/04/09/132470409.db2.gz GFBRZNZTFRYTKH-UHFFFAOYSA-N 0 0 410.352 3.744 50 5 HHBARN CCN(Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1)C(=O)C(F)(F)F ZINC000044505862 521350998 /nfs/dbraw/zinc/35/09/98/521350998.db2.gz TVSWLMQHULPNMD-UHFFFAOYSA-N 0 0 401.366 3.819 50 5 HHBARN CC[C@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1)c1ccccc1 ZINC000072056873 523758108 /nfs/dbraw/zinc/75/81/08/523758108.db2.gz PXTQMZLJEFLRNU-FQEVSTJZSA-N 0 0 409.486 3.818 50 5 HHBARN COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001127017 524645829 /nfs/dbraw/zinc/64/58/29/524645829.db2.gz HQAKVVSALOVPHJ-UHFFFAOYSA-N 0 0 421.409 3.873 50 5 HHBARN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCc1nc2cccnc2[nH]1 ZINC000225814333 527409588 /nfs/dbraw/zinc/40/95/88/527409588.db2.gz AAFHTEPEDDDAKU-UHFFFAOYSA-N 0 0 416.310 3.960 50 5 HHBARN O=C(Oc1cc(=O)oc2c3cccc4c3n(c(=O)c12)CCC4)c1ccc(Cl)cc1 ZINC000000642509 557033163 /nfs/dbraw/zinc/03/31/63/557033163.db2.gz VQIZBCNXWKFVEW-UHFFFAOYSA-N 0 0 407.809 3.927 50 5 HHBARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000004392256 558484841 /nfs/dbraw/zinc/48/48/41/558484841.db2.gz NSZTVWRCNPULHR-UHFFFAOYSA-N 0 0 401.473 3.856 50 5 HHBARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004428204 558537494 /nfs/dbraw/zinc/53/74/94/558537494.db2.gz DRMCAUUXJFVBFF-UHFFFAOYSA-N 0 0 405.326 3.959 50 5 HHBARN COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000010901944 558549784 /nfs/dbraw/zinc/54/97/84/558549784.db2.gz NLZUXXZPDKRTBL-UHFFFAOYSA-N 0 0 400.822 3.715 50 5 HHBARN CN(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 ZINC000024926754 558620996 /nfs/dbraw/zinc/62/09/96/558620996.db2.gz FJWACMSCEIYMRK-FQEVSTJZSA-N 0 0 405.523 3.635 50 5 HHBARN Cc1cc2oc(=O)cc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2cc1C(C)C ZINC000004515833 558631698 /nfs/dbraw/zinc/63/16/98/558631698.db2.gz VSQAPOCBUUKCKC-UHFFFAOYSA-N 0 0 405.410 3.891 50 5 HHBARN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000072295985 558748871 /nfs/dbraw/zinc/74/88/71/558748871.db2.gz QDAOCLNLCBLODQ-INIZCTEOSA-N 0 0 413.377 3.819 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000072304400 558757116 /nfs/dbraw/zinc/75/71/16/558757116.db2.gz RRGYGPQLXADGBK-DKUDOZJNSA-N 0 0 402.450 3.855 50 5 HHBARN CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000010634131 558833127 /nfs/dbraw/zinc/83/31/27/558833127.db2.gz ACMJKJGQZWDPEG-NSHDSACASA-N 0 0 406.822 3.988 50 5 HHBARN CCCCNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000033013636 558833312 /nfs/dbraw/zinc/83/33/12/558833312.db2.gz GPTIJEMHDZAAPU-UHFFFAOYSA-N 0 0 411.487 3.851 50 5 HHBARN CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)N1CCOCC1 ZINC000004598445 558834256 /nfs/dbraw/zinc/83/42/56/558834256.db2.gz JHFHUWGRQADCRB-LJQANCHMSA-N 0 0 406.511 3.765 50 5 HHBARN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1I ZINC000004616506 558852604 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421.504 3.718 50 5 HHBARN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] ZINC000004837945 559166531 /nfs/dbraw/zinc/16/65/31/559166531.db2.gz RFPAUIZULYKGDQ-UHFFFAOYSA-N 0 0 403.398 3.980 50 5 HHBARN CN(c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000023606319 559177737 /nfs/dbraw/zinc/17/77/37/559177737.db2.gz ODXHBXUHQGBNDF-UHFFFAOYSA-N 0 0 403.391 3.746 50 5 HHBARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000011689764 559177738 /nfs/dbraw/zinc/17/77/38/559177738.db2.gz XQRWJVSSKRGYGC-UHFFFAOYSA-N 0 0 403.394 3.969 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2[C@@H]1c1ccccc1F ZINC000004853879 559192111 /nfs/dbraw/zinc/19/21/11/559192111.db2.gz AAKYQXKGOBMLSD-FQEVSTJZSA-N 0 0 415.446 3.638 50 5 HHBARN CCc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000004905859 559201757 /nfs/dbraw/zinc/20/17/57/559201757.db2.gz MBPSVEHZHJDXQQ-UHFFFAOYSA-N 0 0 401.422 3.671 50 5 HHBARN Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1cccc(Cl)c1 ZINC000004994066 559225163 /nfs/dbraw/zinc/22/51/63/559225163.db2.gz BMWVVBAEAALGDM-UHFFFAOYSA-N 0 0 403.851 3.868 50 5 HHBARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001908380 560185202 /nfs/dbraw/zinc/18/52/02/560185202.db2.gz AEGMTRFJZYFDRR-GOSISDBHSA-N 0 0 415.833 3.634 50 5 biogenic,in-vitro HHBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000005345411 560569832 /nfs/dbraw/zinc/56/98/32/560569832.db2.gz GCIIDWCWHHFXGK-UHFFFAOYSA-N 0 0 403.390 3.735 50 5 HHBARN CC(C)CCOC(=O)c1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000002147691 560584662 /nfs/dbraw/zinc/58/46/62/560584662.db2.gz SAGPJHMREGTCPH-UHFFFAOYSA-N 0 0 401.375 3.958 50 5 HHBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccnc1Cl ZINC000005449580 560588528 /nfs/dbraw/zinc/58/85/28/560588528.db2.gz VPBUXGZNRNQSLL-UHFFFAOYSA-N 0 0 401.762 3.699 50 5 HHBARN CCCCNC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005309179 560625879 /nfs/dbraw/zinc/62/58/79/560625879.db2.gz KXPMSCTYDCYAII-QGOAFFKASA-N 0 0 401.850 3.935 50 5 HHBARN CCOC(=O)c1s/c(=N/C(=O)c2cc3c(ccc4ccccc43)oc2=O)n(C)c1C ZINC000100838279 560759775 /nfs/dbraw/zinc/75/97/75/560759775.db2.gz OBZFPNFQAHWEFE-GHVJWSGMSA-N 0 0 422.462 3.572 50 5 HHBARN Cc1csc(Sc2ccc(C(=O)NCCc3ccccn3)cc2[N+](=O)[O-])n1 ZINC000005689651 560785214 /nfs/dbraw/zinc/78/52/14/560785214.db2.gz SXAGPKRBPOBMHL-UHFFFAOYSA-N 0 0 400.485 3.878 50 5 HHBARN COc1ccc(CNc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102781881 560827387 /nfs/dbraw/zinc/82/73/87/560827387.db2.gz YDLQPNUUCVYUEG-QZTJIDSGSA-N 0 0 409.442 3.895 50 5 HHBARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000672152 568460711 /nfs/dbraw/zinc/46/07/11/568460711.db2.gz QNKZOHTVUYJJFX-UHFFFAOYSA-N 0 0 423.450 3.599 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(I)c1 ZINC000000675403 568460884 /nfs/dbraw/zinc/46/08/84/568460884.db2.gz KOAWGXYYHABNAE-UHFFFAOYSA-N 0 0 412.183 3.769 50 5 HHBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccccc1C(C)=O ZINC000024773261 568462259 /nfs/dbraw/zinc/46/22/59/568462259.db2.gz VUZCBOOBYZIIJY-UHFFFAOYSA-N 0 0 400.431 3.879 50 5 HHBARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NC(C)C)c2)cc1[N+](=O)[O-] ZINC000000746490 568470617 /nfs/dbraw/zinc/47/06/17/568470617.db2.gz IFCRLADTDLRTGW-UHFFFAOYSA-N 0 0 410.474 3.894 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3c3ccccc32)c1 ZINC000031646225 568505134 /nfs/dbraw/zinc/50/51/34/568505134.db2.gz VDKKCOALPJQHES-UHFFFAOYSA-N 0 0 421.522 3.629 50 5 HHBARN CCN1C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCc2ccccc2)=C1C ZINC000000844329 568530654 /nfs/dbraw/zinc/53/06/54/568530654.db2.gz WDPKBRZXCXWHCN-FQEVSTJZSA-N 0 0 409.442 3.741 50 5 HHBARN CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCc2ccccc2)=C1C ZINC000000844328 568530676 /nfs/dbraw/zinc/53/06/76/568530676.db2.gz WDPKBRZXCXWHCN-HXUWFJFHSA-N 0 0 409.442 3.741 50 5 HHBARN COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)N2Cc1ccccc1 ZINC000019931832 568585902 /nfs/dbraw/zinc/58/59/02/568585902.db2.gz UWYNVTPPBIKMBJ-NRFANRHFSA-N 0 0 418.453 3.893 50 5 HHBARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000020022895 568586086 /nfs/dbraw/zinc/58/60/86/568586086.db2.gz SBMBTWBNGYKSJK-UHFFFAOYSA-N 0 0 415.402 3.805 50 5 HHBARN O=c1c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccccc1Cl ZINC000020131007 568589688 /nfs/dbraw/zinc/58/96/88/568589688.db2.gz XENGLBGECTZLEO-UHFFFAOYSA-N 0 0 421.840 3.821 50 5 HHBARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1ccc([N+](=O)[O-])cc1 ZINC000020151712 568590714 /nfs/dbraw/zinc/59/07/14/568590714.db2.gz PKPAXVBISNCPRS-UHFFFAOYSA-N 0 0 421.478 3.846 50 5 HHBARN Cc1cccc(N2C(=O)c3cccc4c(NCCCO)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000095470810 568626283 /nfs/dbraw/zinc/62/62/83/568626283.db2.gz RDSPPLQIUHCQFT-UHFFFAOYSA-N 0 0 405.410 3.651 50 5 HHBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@]1(C)c1ccc(Br)cc1 ZINC000021090712 568664084 /nfs/dbraw/zinc/66/40/84/568664084.db2.gz GNCYLISZWWTIFP-QGZVFWFLSA-N 0 0 404.220 3.771 50 5 HHBARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000021106422 568667217 /nfs/dbraw/zinc/66/72/17/568667217.db2.gz UJIUPGKZCIGNBD-FQEVSTJZSA-N 0 0 406.398 3.778 50 5 HHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(F)cc2)NC(=S)N1C ZINC000021186881 568677824 /nfs/dbraw/zinc/67/78/24/568677824.db2.gz ZYDRPNWPGVPQKE-QGZVFWFLSA-N 0 0 400.435 3.508 50 5 HHBARN COC(=O)c1nc(NC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])sc1CC(C)C ZINC000096118814 568698574 /nfs/dbraw/zinc/69/85/74/568698574.db2.gz HLBMEXOPQOMFCU-UHFFFAOYSA-N 0 0 416.459 3.630 50 5 HHBARN Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(C[C@H]2CCCO2)c1C ZINC000021568004 568715599 /nfs/dbraw/zinc/71/55/99/568715599.db2.gz KNRZVLTUZTZKOB-CQSZACIVSA-N 0 0 424.910 3.971 50 5 HHBARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000862141 568718332 /nfs/dbraw/zinc/71/83/32/568718332.db2.gz BTRKDKAXBDNATG-UHFFFAOYSA-N 0 0 403.851 3.775 50 5 HHBARN CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccnc1 ZINC000000877884 568734247 /nfs/dbraw/zinc/73/42/47/568734247.db2.gz NJWGOPKNKGLMSZ-CYBMUJFWSA-N 0 0 412.475 3.696 50 5 HHBARN O=C(N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000889265 568736861 /nfs/dbraw/zinc/73/68/61/568736861.db2.gz BXVXVZJIFVVCCK-SNVBAGLBSA-N 0 0 414.723 3.857 50 5 HHBARN Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1 ZINC000000910471 568749909 /nfs/dbraw/zinc/74/99/09/568749909.db2.gz XLLPRUYLEZGYKR-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN CCn1c(COc2ccc3c(c2)OCO3)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000000952742 568756888 /nfs/dbraw/zinc/75/68/88/568756888.db2.gz HTYPFIRLGFGCNU-UHFFFAOYSA-N 0 0 414.443 3.806 50 5 HHBARN COc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000001004234 568761101 /nfs/dbraw/zinc/76/11/01/568761101.db2.gz DCGYQTVUZCMBID-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN Cc1cccc(C(=O)Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1 ZINC000001027551 568763628 /nfs/dbraw/zinc/76/36/28/568763628.db2.gz VLPJDQRVAGIHED-UHFFFAOYSA-N 0 0 402.362 3.923 50 5 HHBARN COc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1Br ZINC000001041611 568764393 /nfs/dbraw/zinc/76/43/93/568764393.db2.gz DLBIKUKCJINMNO-NTEUORMPSA-N 0 0 403.188 3.710 50 5 HHBARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000001102498 568771586 /nfs/dbraw/zinc/77/15/86/568771586.db2.gz BRTFREMNCHBMJP-UHFFFAOYSA-N 0 0 414.443 3.557 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000001159114 568774419 /nfs/dbraw/zinc/77/44/19/568774419.db2.gz LOQPHLBHXFDJNB-UHFFFAOYSA-N 0 0 423.450 3.599 50 5 HHBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc21 ZINC000001158134 568774430 /nfs/dbraw/zinc/77/44/30/568774430.db2.gz WRLLKQDRTIJOCV-UHFFFAOYSA-N 0 0 419.187 3.725 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 ZINC000001160998 568775157 /nfs/dbraw/zinc/77/51/57/568775157.db2.gz UHCKKBZHZRQNBD-SFQUDFHCSA-N 0 0 405.366 3.961 50 5 HHBARN CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000055536883 568778864 /nfs/dbraw/zinc/77/88/64/568778864.db2.gz VBKNWRXTZITTJV-INIZCTEOSA-N 0 0 406.822 3.681 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000225732009 568780129 /nfs/dbraw/zinc/78/01/29/568780129.db2.gz LRWDCRZDYAPBQI-UHFFFAOYSA-N 0 0 417.219 3.646 50 5 HHBARN CNc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(OC)nc2)cc1[N+](=O)[O-] ZINC000028274549 568783701 /nfs/dbraw/zinc/78/37/01/568783701.db2.gz CJOPGKABXNJWMY-UHFFFAOYSA-N 0 0 406.398 3.523 50 5 HHBARN Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002661999 568799324 /nfs/dbraw/zinc/79/93/24/568799324.db2.gz KDJOILRGXCPOLC-LLVKDONJSA-N 0 0 418.866 3.652 50 5 HHBARN COc1cc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc(OC)c1 ZINC000002796561 568809379 /nfs/dbraw/zinc/80/93/79/568809379.db2.gz MVHGLPVNWPUJEP-UHFFFAOYSA-N 0 0 410.430 3.726 50 5 HHBARN Cc1nn(CCNC(=O)c2ccc(COc3ccccc3Cl)o2)c(C)c1[N+](=O)[O-] ZINC000002796491 568809381 /nfs/dbraw/zinc/80/93/81/568809381.db2.gz JZSRALIAEWULDY-UHFFFAOYSA-N 0 0 418.837 3.664 50 5 HHBARN O=C(CNC(=O)c1ccco1)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002868455 568813693 /nfs/dbraw/zinc/81/36/93/568813693.db2.gz RMAUDOCCSSANEQ-UHFFFAOYSA-N 0 0 412.423 3.812 50 5 HHBARN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1[N+](=O)[O-] ZINC000002872644 568813716 /nfs/dbraw/zinc/81/37/16/568813716.db2.gz VMBPOKBYOMGODI-UHFFFAOYSA-N 0 0 403.460 3.675 50 5 HHBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Br)ccc1O ZINC000002885048 568814345 /nfs/dbraw/zinc/81/43/45/568814345.db2.gz NGTIZFJHKJTDKF-UHFFFAOYSA-N 0 0 417.647 3.640 50 5 HHBARN CC(C)c1ccc(C(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000029079561 568818268 /nfs/dbraw/zinc/81/82/68/568818268.db2.gz GDPTUYJYERSNEE-IZZDOVSWSA-N 0 0 407.470 3.716 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2cccc(Br)c2)C(=O)O1 ZINC000002930628 568818326 /nfs/dbraw/zinc/81/83/26/568818326.db2.gz UDZAMGXHHSYMJL-RIYZIHGNSA-N 0 0 403.188 3.710 50 5 HHBARN CNS(=O)(=O)c1ccc(Oc2ccc3c(c2)oc(=O)cc3C(C)C)c([N+](=O)[O-])c1 ZINC000015166686 568818386 /nfs/dbraw/zinc/81/83/86/568818386.db2.gz BBRHMNUMOVNATH-UHFFFAOYSA-N 0 0 418.427 3.525 50 5 HHBARN Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001185552 568821836 /nfs/dbraw/zinc/82/18/36/568821836.db2.gz MPNHKPKUBCZOJE-UHFFFAOYSA-N 0 0 407.448 3.935 50 5 HHBARN COc1ccc(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000001198866 568822586 /nfs/dbraw/zinc/82/25/86/568822586.db2.gz ANHMZHTYHWGHHY-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000005862073 568826517 /nfs/dbraw/zinc/82/65/17/568826517.db2.gz YBXIMSUDUZZIGS-CZUORRHYSA-N 0 0 418.475 3.639 50 5 HHBARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000002984871 568833158 /nfs/dbraw/zinc/83/31/58/568833158.db2.gz JMKGWFJNNWPBLS-UHFFFAOYSA-N 0 0 404.806 3.701 50 5 HHBARN C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000003020626 568840196 /nfs/dbraw/zinc/84/01/96/568840196.db2.gz LICHCKHXTJITLM-ZDUSSCGKSA-N 0 0 422.890 3.953 50 5 HHBARN O=C(c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000002069239 568844228 /nfs/dbraw/zinc/84/42/28/568844228.db2.gz HSIAFFNYIBXDOG-UHFFFAOYSA-N 0 0 417.333 3.535 50 5 HHBARN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000012557347 568856471 /nfs/dbraw/zinc/85/64/71/568856471.db2.gz PWNRJQTYCNLUPJ-UHFFFAOYSA-N 0 0 409.442 3.610 50 5 HHBARN CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000003170474 568859547 /nfs/dbraw/zinc/85/95/47/568859547.db2.gz RUXCRGHFNZJKEE-UHFFFAOYSA-N 0 0 405.838 3.748 50 5 HHBARN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC ZINC000019159551 568865568 /nfs/dbraw/zinc/86/55/68/568865568.db2.gz 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O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000058330401 568911497 /nfs/dbraw/zinc/91/14/97/568911497.db2.gz IXSKMHZQQWNXDC-UHFFFAOYSA-N 0 0 418.837 3.987 50 5 HHBARN CCCc1nc2ccccc2n2c(-c3ccc(C)cc3)c3c(c12)n(C)c(=O)n(C)c3=O ZINC000003644456 568922274 /nfs/dbraw/zinc/92/22/74/568922274.db2.gz SDPRNMJNUICQLD-UHFFFAOYSA-N 0 0 412.493 3.966 50 5 HHBARN COc1cc(N[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 ZINC000083920151 568925710 /nfs/dbraw/zinc/92/57/10/568925710.db2.gz LXPAKROAXNCAJQ-CYBMUJFWSA-N 0 0 419.865 3.982 50 5 HHBARN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000031656755 568928836 /nfs/dbraw/zinc/92/88/36/568928836.db2.gz UDARIPWZHRUQAS-HNNXBMFYSA-N 0 0 404.488 3.901 50 5 HHBARN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O ZINC000001417277 568934868 /nfs/dbraw/zinc/93/48/68/568934868.db2.gz JMIGGRVKGJRZNN-CXUHLZMHSA-N 0 0 416.411 3.554 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 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ZINC000003048972 568849784 /nfs/dbraw/zinc/84/97/84/568849784.db2.gz UHVOSJYPIBRSIO-UHFFFAOYSA-N 0 0 417.487 3.950 50 5 HHBARN Cc1ccc(-n2nnnc2SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 ZINC000003128794 568856840 /nfs/dbraw/zinc/85/68/40/568856840.db2.gz JTSAJVDAWDOPLV-UHFFFAOYSA-N 0 0 409.431 3.530 50 5 HHBARN CCc1nn2c(nc(CNc3cc([N+](=O)[O-])ccc3Nc3ccccc3)cc2=O)s1 ZINC000030497155 568867542 /nfs/dbraw/zinc/86/75/42/568867542.db2.gz MZTYPXZHTMESSA-UHFFFAOYSA-N 0 0 422.470 3.977 50 5 HHBARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003300858 568876352 /nfs/dbraw/zinc/87/63/52/568876352.db2.gz BZAZZJQSUHTKEJ-UHFFFAOYSA-N 0 0 418.711 3.942 50 5 HHBARN CCOc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OCC ZINC000003334737 568882632 /nfs/dbraw/zinc/88/26/32/568882632.db2.gz KSMCIKVUUQVZKW-UHFFFAOYSA-N 0 0 403.387 3.616 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012641616 568885402 /nfs/dbraw/zinc/88/54/02/568885402.db2.gz 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CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000058452245 568919794 /nfs/dbraw/zinc/91/97/94/568919794.db2.gz RXCMFFPVYYZAAL-CQSZACIVSA-N 0 0 424.400 3.867 50 5 HHBARN Cc1c([C@H](C)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000031563016 568928217 /nfs/dbraw/zinc/92/82/17/568928217.db2.gz PVAGEJLTDIRXGC-HNNXBMFYSA-N 0 0 407.474 3.954 50 5 HHBARN Cc1cc(N(Cc2cccnc2)C[C@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084114688 568938662 /nfs/dbraw/zinc/93/86/62/568938662.db2.gz GJQFBHSCYYQEBB-HXUWFJFHSA-N 0 0 405.458 3.941 50 5 HHBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001430644 568939612 /nfs/dbraw/zinc/93/96/12/568939612.db2.gz MXLYELXQWYAJJE-UHFFFAOYSA-N 0 0 408.039 3.808 50 5 HHBARN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3cccc(Br)c3)SC2)cc1 ZINC000004172008 568948156 /nfs/dbraw/zinc/94/81/56/568948156.db2.gz RZILIBBZVTUKLO-UHFFFAOYSA-N 0 0 416.260 3.974 50 5 HHBARN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000012777150 568955468 /nfs/dbraw/zinc/95/54/68/568955468.db2.gz BTHGHGCIADNZHR-UHFFFAOYSA-N 0 0 420.834 3.599 50 5 HHBARN CCN(CC)C(=S)SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004284191 568958834 /nfs/dbraw/zinc/95/88/34/568958834.db2.gz SFVQCEWSYIMRHO-UHFFFAOYSA-N 0 0 406.327 3.656 50 5 HHBARN C[C@@H](Sc1nnc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006115051 569004945 /nfs/dbraw/zinc/00/49/45/569004945.db2.gz SQHHUWYDYPNDCK-SECBINFHSA-N 0 0 411.365 3.776 50 5 HHBARN CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000012857098 569011110 /nfs/dbraw/zinc/01/11/10/569011110.db2.gz FBZIZTMCNUDOBV-UHFFFAOYSA-N 0 0 412.427 3.556 50 5 HHBARN CCCc1noc(-c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)n1 ZINC000015833858 569012756 /nfs/dbraw/zinc/01/27/56/569012756.db2.gz PYQMNDLVHOCRPM-UHFFFAOYSA-N 0 0 407.474 3.920 50 5 HHBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012927332 569023992 /nfs/dbraw/zinc/02/39/92/569023992.db2.gz YVCAIJLYDSAWNI-MRXNPFEDSA-N 0 0 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ZINC000004821264 559124435 /nfs/dbraw/zinc/12/44/35/559124435.db2.gz QWMJPMWRCXRLGR-UHFFFAOYSA-N 0 0 400.398 3.549 50 5 HHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000004832974 559163177 /nfs/dbraw/zinc/16/31/77/559163177.db2.gz OGYQOZXLSHZCRQ-DXNYSGJVSA-N 0 0 407.165 3.975 50 5 HHBARN CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1OCC ZINC000004846284 559186866 /nfs/dbraw/zinc/18/68/66/559186866.db2.gz CUCZINZAWVTHHZ-UHFFFAOYSA-N 0 0 416.430 3.805 50 5 HHBARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000004906065 559201760 /nfs/dbraw/zinc/20/17/60/559201760.db2.gz WLYTVCXWQJMXJQ-UHFFFAOYSA-N 0 0 401.422 3.726 50 5 HHBARN CCn1c(=O)cc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc21 ZINC000004936589 559211867 /nfs/dbraw/zinc/21/18/67/559211867.db2.gz NMIFYTYPINNPSG-UHFFFAOYSA-N 0 0 413.455 3.669 50 5 HHBARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004954265 559216080 /nfs/dbraw/zinc/21/60/80/559216080.db2.gz FYHKYMYJSFEVJX-LBPRGKRZSA-N 0 0 412.427 3.967 50 5 HHBARN COCCn1c2nc3ccccc3nc2c2c1nc(C)n(Cc1ccc(C)cc1)c2=O ZINC000005067292 559240047 /nfs/dbraw/zinc/24/00/47/559240047.db2.gz KYFODCWTBMQARM-UHFFFAOYSA-N 0 0 413.481 3.606 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000005094190 559244420 /nfs/dbraw/zinc/24/44/20/559244420.db2.gz LGWZTUBTNDZURN-NJDAHSKKSA-N 0 0 415.405 3.646 50 5 HHBARN CCOc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc21 ZINC000005181819 559289875 /nfs/dbraw/zinc/28/98/75/559289875.db2.gz CRRSHWAVLRZXPW-UHFFFAOYSA-N 0 0 412.471 3.566 50 5 HHBARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005211088 560542508 /nfs/dbraw/zinc/54/25/08/560542508.db2.gz FSUVIYJGNJKGQA-OAHLLOKOSA-N 0 0 408.414 3.581 50 5 HHBARN CC(C)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000005407855 560584316 /nfs/dbraw/zinc/58/43/16/560584316.db2.gz BRKRYPSTQITKPZ-OAQYLSRUSA-N 0 0 400.431 3.648 50 5 HHBARN Cn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005430497 560586743 /nfs/dbraw/zinc/58/67/43/560586743.db2.gz FFEUQWGMQLAOCH-UHFFFAOYSA-N 0 0 408.443 3.656 50 5 HHBARN CCOc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000005506224 560598929 /nfs/dbraw/zinc/59/89/29/560598929.db2.gz QDZRADJRWYDHPI-UHFFFAOYSA-N 0 0 411.414 3.589 50 5 HHBARN COc1cccc(CCNc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])c1 ZINC000102782620 560827373 /nfs/dbraw/zinc/82/73/73/560827373.db2.gz VCRYWVFCPRYFCW-RTBURBONSA-N 0 0 423.469 3.938 50 5 HHBARN COc1ccccc1CNc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000102781049 560827390 /nfs/dbraw/zinc/82/73/90/560827390.db2.gz GPMMWFLDAAOBLA-IAGOWNOFSA-N 0 0 409.442 3.895 50 5 HHBARN COc1ccccc1CNc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102781048 560827392 /nfs/dbraw/zinc/82/73/92/560827392.db2.gz GPMMWFLDAAOBLA-CALCHBBNSA-N 0 0 409.442 3.895 50 5 HHBARN CCOc1c(O)ccc(/C=C2/C(=O)Nc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000103688247 560843934 /nfs/dbraw/zinc/84/39/34/560843934.db2.gz RRONYMSCJPMPER-KPKJPENVSA-N 0 0 405.204 3.954 50 5 HHBARN Cc1ccc([C@@H](CNc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)N2CCOCC2)o1 ZINC000048288488 568434811 /nfs/dbraw/zinc/43/48/11/568434811.db2.gz YRQSWVUTXKEPBS-LJQANCHMSA-N 0 0 423.473 3.747 50 5 HHBARN COC(=O)c1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000000655457 568457690 /nfs/dbraw/zinc/45/76/90/568457690.db2.gz COFZJTVYQRZVEJ-UHFFFAOYSA-N 0 0 418.361 3.974 50 5 HHBARN CCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000714608 568464591 /nfs/dbraw/zinc/46/45/91/568464591.db2.gz AXEIHZWYIQUTAZ-GOSISDBHSA-N 0 0 407.348 3.767 50 5 HHBARN COc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1[N+](=O)[O-] ZINC000000711938 568465331 /nfs/dbraw/zinc/46/53/31/568465331.db2.gz IQPJQGYEHMKTEQ-NTUHNPAUSA-N 0 0 403.188 3.710 50 5 HHBARN COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 ZINC000000819838 568490185 /nfs/dbraw/zinc/49/01/85/568490185.db2.gz DMPQATWENMVNDX-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN O=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000836552 568501695 /nfs/dbraw/zinc/50/16/95/568501695.db2.gz GHGRIOLFDHERNO-UHFFFAOYSA-N 0 0 418.405 3.816 50 5 HHBARN CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCc2ccccc2)=C1C ZINC000000844377 568530873 /nfs/dbraw/zinc/53/08/73/568530873.db2.gz UVZRXCFIJZQORU-FQEVSTJZSA-N 0 0 409.442 3.741 50 5 HHBARN COc1ccc(Cl)cc1NC(=S)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000020405987 568604601 /nfs/dbraw/zinc/60/46/01/568604601.db2.gz YKIHGXICTULKSV-UHFFFAOYSA-N 0 0 421.910 3.561 50 5 HHBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 ZINC000095467514 568624777 /nfs/dbraw/zinc/62/47/77/568624777.db2.gz RXUBDTVODWIGNK-CYBMUJFWSA-N 0 0 424.910 3.676 50 5 HHBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1Cl ZINC000020792741 568643850 /nfs/dbraw/zinc/64/38/50/568643850.db2.gz GKKIAEWSCJBMBK-UHFFFAOYSA-N 0 0 408.838 3.609 50 5 HHBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 ZINC000000853808 568711808 /nfs/dbraw/zinc/71/18/08/568711808.db2.gz MNNWCTSDMAOOOM-OAHLLOKOSA-N 0 0 400.818 3.869 50 5 HHBARN O=C(Nc1ccccc1C(=O)Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000086032128 568748785 /nfs/dbraw/zinc/74/87/85/568748785.db2.gz LTWQQWSXYYXVGA-UHFFFAOYSA-N 0 0 405.410 3.634 50 5 in-vitro HHBARN NC(=O)c1ccc(CNc2cc(C(F)(F)F)ccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000025252150 568761496 /nfs/dbraw/zinc/76/14/96/568761496.db2.gz QSTUJVTUVZLTOC-UHFFFAOYSA-N 0 0 408.380 3.925 50 5 HHBARN O=[N+]([O-])c1ccc(C[C@@H](O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 ZINC000001023602 568763389 /nfs/dbraw/zinc/76/33/89/568763389.db2.gz NOLLQEWYOWVTOO-GOSISDBHSA-N 0 0 418.906 3.541 50 5 HHBARN O=C(OCc1cccc(F)c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001075540 568765427 /nfs/dbraw/zinc/76/54/27/568765427.db2.gz NKCIUTAMOCTKNA-UHFFFAOYSA-N 0 0 415.398 3.924 50 5 HHBARN CCc1nnc2sc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nn12 ZINC000001065311 568766023 /nfs/dbraw/zinc/76/60/23/568766023.db2.gz GQHRRNYLNZDYQC-UHFFFAOYSA-N 0 0 408.443 3.884 50 5 HHBARN O=C(c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000001063358 568766040 /nfs/dbraw/zinc/76/60/40/568766040.db2.gz UVGRJWJKGJKXDO-UHFFFAOYSA-N 0 0 407.769 3.675 50 5 HHBARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001075018 568767064 /nfs/dbraw/zinc/76/70/64/568767064.db2.gz SARZNFIDDLMOSO-UHFFFAOYSA-N 0 0 409.373 3.603 50 5 HHBARN COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCC2 ZINC000001102470 568771368 /nfs/dbraw/zinc/77/13/68/568771368.db2.gz UDGRHTLBPUAQFY-UHFFFAOYSA-N 0 0 404.444 3.648 50 5 HHBARN O=C(NCc1ccco1)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCC2 ZINC000001125151 568771376 /nfs/dbraw/zinc/77/13/76/568771376.db2.gz XGHWHVUXBREHSN-UHFFFAOYSA-N 0 0 411.439 3.920 50 5 HHBARN Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001157002 568774442 /nfs/dbraw/zinc/77/44/42/568774442.db2.gz BLUIRJGRGXDWFD-UHFFFAOYSA-N 0 0 407.448 3.935 50 5 HHBARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000001165706 568775755 /nfs/dbraw/zinc/77/57/55/568775755.db2.gz ALRJALWYWJSPOQ-MDZDMXLPSA-N 0 0 412.471 3.716 50 5 HHBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000002796419 568810555 /nfs/dbraw/zinc/81/05/55/568810555.db2.gz WUICSDDYUOKJNW-UHFFFAOYSA-N 0 0 406.320 3.991 50 5 HHBARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000002856422 568813298 /nfs/dbraw/zinc/81/32/98/568813298.db2.gz JPPDXYCREIELMV-UHFFFAOYSA-N 0 0 415.471 3.987 50 5 HHBARN COc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1[N+](=O)[O-] ZINC000002872789 568814001 /nfs/dbraw/zinc/81/40/01/568814001.db2.gz AABHWYGZUPSSFO-UHFFFAOYSA-N 0 0 411.439 3.607 50 5 HHBARN COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1Br ZINC000002945734 568819825 /nfs/dbraw/zinc/81/98/25/568819825.db2.gz WLRAHLDFBRIVKV-RIYZIHGNSA-N 0 0 403.188 3.710 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000029186829 568822207 /nfs/dbraw/zinc/82/22/07/568822207.db2.gz IMKNOHFWTWEPOZ-CYBMUJFWSA-N 0 0 414.892 3.772 50 5 HHBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000057024330 568823357 /nfs/dbraw/zinc/82/33/57/568823357.db2.gz BCPKDNHGDSTMGR-CYBMUJFWSA-N 0 0 406.845 3.537 50 5 HHBARN O=C(c1ccc(Cl)cc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@]1(O)C(F)(F)F ZINC000001214632 568824799 /nfs/dbraw/zinc/82/47/99/568824799.db2.gz FADUJUDQXRNFIF-MRXNPFEDSA-N 0 0 413.739 3.749 50 5 HHBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000001218725 568825091 /nfs/dbraw/zinc/82/50/91/568825091.db2.gz YFCYNXMFCVINMJ-UHFFFAOYSA-N 0 0 417.425 3.963 50 5 HHBARN CN(CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057355241 568827555 /nfs/dbraw/zinc/82/75/55/568827555.db2.gz VSZFSPQCWGXEKF-UHFFFAOYSA-N 0 0 423.263 3.735 50 5 HHBARN CN(Cc1ccc(Br)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000031653129 568837461 /nfs/dbraw/zinc/83/74/61/568837461.db2.gz GJVLSDPLCRGFGD-UHFFFAOYSA-N 0 0 402.252 3.705 50 5 HHBARN O=C(NCc1cccc(Br)c1)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000057477699 568839756 /nfs/dbraw/zinc/83/97/56/568839756.db2.gz SBUUPLRGCAVDLA-UHFFFAOYSA-N 0 0 408.255 3.540 50 5 HHBARN Cc1cccc(N2C(=O)c3ccc(C(=O)Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000003195763 568860934 /nfs/dbraw/zinc/86/09/34/568860934.db2.gz RJSOQMFMPSXNMM-UHFFFAOYSA-N 0 0 402.362 3.923 50 5 HHBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003195970 568861073 /nfs/dbraw/zinc/86/10/73/568861073.db2.gz XATLLVLFZIJVAH-UHFFFAOYSA-N 0 0 421.387 3.505 50 5 HHBARN COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O ZINC000015262553 568864721 /nfs/dbraw/zinc/86/47/21/568864721.db2.gz BKXQMMACTZUEJQ-AUWJEWJLSA-N 0 0 416.773 3.527 50 5 HHBARN O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F ZINC000003234196 568865273 /nfs/dbraw/zinc/86/52/73/568865273.db2.gz IKXSKBWRRPEWTM-UHFFFAOYSA-N 0 0 417.176 3.601 50 5 HHBARN CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000012585689 568866313 /nfs/dbraw/zinc/86/63/13/568866313.db2.gz NDMFBUDFQVFLRB-LLVKDONJSA-N 0 0 402.838 3.596 50 5 HHBARN O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003241095 568866379 /nfs/dbraw/zinc/86/63/79/568866379.db2.gz BKUFBMOZXHNWKD-UHFFFAOYSA-N 0 0 404.593 3.746 50 5 HHBARN COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc([N+](=O)[O-])c1 ZINC000003242511 568866709 /nfs/dbraw/zinc/86/67/09/568866709.db2.gz DPLYTHXRSMPYEM-UHFFFAOYSA-N 0 0 409.423 3.856 50 5 HHBARN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000012586967 568867384 /nfs/dbraw/zinc/86/73/84/568867384.db2.gz GVOZNSCMRFKPIM-GFCCVEGCSA-N 0 0 407.268 3.830 50 5 HHBARN Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000003302542 568876939 /nfs/dbraw/zinc/87/69/39/568876939.db2.gz ZBRMROCVCXTHEQ-UHFFFAOYSA-N 0 0 417.727 3.766 50 5 HHBARN O=C(NCCC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000003340549 568883685 /nfs/dbraw/zinc/88/36/85/568883685.db2.gz FDDHZFMIIXBADM-UHFFFAOYSA-N 0 0 413.455 3.598 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccc(Br)cc1 ZINC000003345710 568884408 /nfs/dbraw/zinc/88/44/08/568884408.db2.gz GCUDQZSGWUAONU-LBPRGKRZSA-N 0 0 422.279 3.825 50 5 aggregator HHBARN CCn1c(CN2CCCCCC2=O)nnc1Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000003438566 568903191 /nfs/dbraw/zinc/90/31/91/568903191.db2.gz NVBJHSHQUDIFRW-UHFFFAOYSA-N 0 0 409.899 3.913 50 5 HHBARN COCCn1c2ccccc2nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003499290 568909921 /nfs/dbraw/zinc/90/99/21/568909921.db2.gz ZJDANCLJEXABLD-UHFFFAOYSA-N 0 0 420.878 3.975 50 5 HHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000003527749 568912682 /nfs/dbraw/zinc/91/26/82/568912682.db2.gz XKMXDVMTFHXOKW-MRVPVSSYSA-N 0 0 423.353 3.774 50 5 HHBARN CCCc1nc2ccccc2n2c(-c3cccc(C)c3)c3c(c12)n(C)c(=O)n(C)c3=O ZINC000003644475 568922283 /nfs/dbraw/zinc/92/22/83/568922283.db2.gz FUKLWOKMPGQPCO-UHFFFAOYSA-N 0 0 412.493 3.966 50 5 HHBARN O=C1OC(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1Br ZINC000003657459 568922643 /nfs/dbraw/zinc/92/26/43/568922643.db2.gz BHVMTHLOQBDJJA-AUWJEWJLSA-N 0 0 418.159 3.610 50 5 HHBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012734666 568923572 /nfs/dbraw/zinc/92/35/72/568923572.db2.gz BMFPRLKKHLVSHI-UHFFFAOYSA-N 0 0 423.448 3.640 50 5 HHBARN O=[N+]([O-])c1cnc2n1C[C@@H](CSc1nc(-c3ccccc3)cc(C(F)(F)F)n1)O2 ZINC000004010337 568932497 /nfs/dbraw/zinc/93/24/97/568932497.db2.gz PCECMFFBTRGXJC-NSHDSACASA-N 0 0 423.376 3.820 50 5 HHBARN CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004198936 568951367 /nfs/dbraw/zinc/95/13/67/568951367.db2.gz AWCVOBZWLNMCIF-UHFFFAOYSA-N 0 0 414.439 3.962 50 5 HHBARN NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1 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414.443 3.961 50 5 HHBARN CN(C)C(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 ZINC000005005409 960637610 /nfs/dbraw/zinc/63/76/10/960637610.db2.gz IAAXQQJYRUAEKY-XMHGGMMESA-N 0 0 405.410 3.714 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000005843078 960790153 /nfs/dbraw/zinc/79/01/53/960790153.db2.gz NRFZYNFGWRLGIA-RUDMXATFSA-N 0 0 410.304 3.689 50 5 HHBARN C[C@@H](OC(=O)/C=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000035401217 966421668 /nfs/dbraw/zinc/42/16/68/966421668.db2.gz FIPAJFHPFFZHFW-MQGYJPLLSA-N 0 0 406.341 3.780 50 5 HHBARN CC(=CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)c1ccccc1 ZINC000222302061 970102117 /nfs/dbraw/zinc/10/21/17/970102117.db2.gz CLFUWGUSRQEKMU-JQIJEIRASA-N 0 0 405.458 3.613 50 5 HHBARN C[Si](C)(C)/C=C(\Br)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000169833741 970484106 /nfs/dbraw/zinc/48/41/06/970484106.db2.gz ZUKRUYLDSZRBJN-NTMALXAHSA-N 0 0 403.261 3.816 50 5 HHBARN Cc1ccc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000334157878 972768206 /nfs/dbraw/zinc/76/82/06/972768206.db2.gz WTXKUMBDADLUSG-UHFFFAOYSA-O 0 0 422.446 3.755 50 5 HHBARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000003649683 132267751 /nfs/dbraw/zinc/26/77/51/132267751.db2.gz DWMAENBJJVFBBN-UHFFFAOYSA-N 0 0 406.442 3.849 50 5 HHBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000004121237 132271638 /nfs/dbraw/zinc/27/16/38/132271638.db2.gz OQPAVCUPXYBJTD-UHFFFAOYSA-N 0 0 410.474 3.604 50 5 HHBARN O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 ZINC000004334119 132275680 /nfs/dbraw/zinc/27/56/80/132275680.db2.gz MHWWCURBGICTDQ-UHFFFAOYSA-N 0 0 417.469 3.564 50 5 HHBARN COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004710902 132284672 /nfs/dbraw/zinc/28/46/72/132284672.db2.gz WNCCZVHJDMNGOS-UHFFFAOYSA-N 0 0 410.257 3.873 50 5 HHBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004895693 132291930 /nfs/dbraw/zinc/29/19/30/132291930.db2.gz RGBKIQCOHOXKBI-UHFFFAOYSA-N 0 0 405.838 3.654 50 5 HHBARN Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C)c1Cl ZINC000005090800 132300476 /nfs/dbraw/zinc/30/04/76/132300476.db2.gz UWQSGVHTXPUYRW-UHFFFAOYSA-N 0 0 403.866 3.593 50 5 HHBARN O=C(c1ccccc1Br)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008816317 132333499 /nfs/dbraw/zinc/33/34/99/132333499.db2.gz YSUUKAAHSFUDIO-UHFFFAOYSA-N 0 0 424.682 3.973 50 5 HHBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000012521548 132361601 /nfs/dbraw/zinc/36/16/01/132361601.db2.gz XGZUURRNGOGHQF-UHFFFAOYSA-N 0 0 422.457 3.670 50 5 HHBARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 ZINC000012590591 132364642 /nfs/dbraw/zinc/36/46/42/132364642.db2.gz KSWQGZLFTHZVJU-UHFFFAOYSA-N 0 0 408.483 3.989 50 5 HHBARN CCOc1ccc(OCC)c(N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000012523312 521170837 /nfs/dbraw/zinc/17/08/37/521170837.db2.gz RLUGTUVLTPCDJV-CYBMUJFWSA-N 0 0 403.435 3.840 50 5 HHBARN COc1ccc(-c2nn(CN3c4ccc([N+](=O)[O-])cc4C[C@H]3C)c(=S)n2C)cc1 ZINC000032923169 523246004 /nfs/dbraw/zinc/24/60/04/523246004.db2.gz RBOHICJKQQFFGD-CYBMUJFWSA-N 0 0 411.487 3.944 50 5 HHBARN COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000043148750 524588053 /nfs/dbraw/zinc/58/80/53/524588053.db2.gz IRINIXLUTOAPID-UHFFFAOYSA-N 0 0 412.446 3.794 50 5 HHBARN CSCC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1nc2ccccc2[nH]1 ZINC000032350241 525593459 /nfs/dbraw/zinc/59/34/59/525593459.db2.gz VMLXYZFFJDPHEL-INIZCTEOSA-N 0 0 410.459 3.572 50 5 HHBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000032914259 526339175 /nfs/dbraw/zinc/33/91/75/526339175.db2.gz CMCBUTOKDLBLDL-UHFFFAOYSA-N 0 0 422.416 3.828 50 5 HHBARN O=C(OCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000032823676 526425463 /nfs/dbraw/zinc/42/54/63/526425463.db2.gz XORKFIWFTNIAJP-UHFFFAOYSA-N 0 0 410.348 3.807 50 5 HHBARN O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000032818905 526530147 /nfs/dbraw/zinc/53/01/47/526530147.db2.gz ONXXZYXWRSBPRR-UHFFFAOYSA-N 0 0 400.822 3.901 50 5 HHBARN O=C(Nc1ccc2c(c1)OCCO2)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020177538 527287372 /nfs/dbraw/zinc/28/73/72/527287372.db2.gz IXOUCGMLSUYCET-UHFFFAOYSA-N 0 0 424.457 3.740 50 5 HHBARN CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1 ZINC000002206502 557326600 /nfs/dbraw/zinc/32/66/00/557326600.db2.gz BTYSOCGWUDGFJC-UHFFFAOYSA-N 0 0 406.438 3.521 50 5 HHBARN C[N+](C)(C)CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002567626 557357183 /nfs/dbraw/zinc/35/71/83/557357183.db2.gz BBEFGWXHNDOXLR-QFIPXVFZSA-O 0 0 411.522 3.855 50 5 HHBARN N=c1c2sc3nc4ccccc4n3c2ncn1NC(=O)Nc1cccc(Cl)c1 ZINC000004649541 557575566 /nfs/dbraw/zinc/57/55/66/557575566.db2.gz OVOSWEZSSRNTIR-UHFFFAOYSA-N 0 0 409.862 3.807 50 5 HHBARN O=[N+]([O-])C(=CNc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006238625 557695449 /nfs/dbraw/zinc/69/54/49/557695449.db2.gz LYOSLXHTFOTGSH-JYRVWZFOSA-N 0 0 407.757 3.715 50 5 HHBARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000004333630 558263620 /nfs/dbraw/zinc/26/36/20/558263620.db2.gz QPCPPLXMIVXQTQ-AWEZNQCLSA-N 0 0 416.430 3.822 50 5 HHBARN O=c1c2oc3ccccc3c2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 ZINC000004359007 558447453 /nfs/dbraw/zinc/44/74/53/558447453.db2.gz GZHVIPLMJZIHJQ-UHFFFAOYSA-N 0 0 413.389 3.855 50 5 HHBARN CCCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000004369555 558462490 /nfs/dbraw/zinc/46/24/90/558462490.db2.gz GQGKTWFTBPRTNH-UHFFFAOYSA-N 0 0 401.806 3.819 50 5 HHBARN COc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] ZINC000012990682 558496550 /nfs/dbraw/zinc/49/65/50/558496550.db2.gz JTMVJXJVEXRJAI-UHFFFAOYSA-N 0 0 424.453 3.842 50 5 HHBARN O=c1c2cc3c(ccn(-c4cccc(Cl)c4)c3=O)nc2ccn1C[C@@H]1CCCO1 ZINC000038829106 558816099 /nfs/dbraw/zinc/81/60/99/558816099.db2.gz QJCXCBKVYICVDR-INIZCTEOSA-N 0 0 407.857 3.533 50 5 HHBARN COc1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1 ZINC000017150162 558824198 /nfs/dbraw/zinc/82/41/98/558824198.db2.gz POJQBAGPQHNRSH-CAOOACKPSA-N 0 0 415.427 3.718 50 5 HHBARN C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000013559483 558843638 /nfs/dbraw/zinc/84/36/38/558843638.db2.gz KJMFOTCDISOHDX-MRXNPFEDSA-N 0 0 402.300 3.521 50 5 HHBARN COc1ccc(CCNc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004683921 558894293 /nfs/dbraw/zinc/89/42/93/558894293.db2.gz AWBTUUQAMQFWOD-RTBURBONSA-N 0 0 421.453 3.714 50 5 HHBARN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000004694924 558900755 /nfs/dbraw/zinc/90/07/55/558900755.db2.gz RNZFPAXXNGHMBF-LICLKQGHSA-N 0 0 400.412 3.936 50 5 HHBARN Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N2CCC(C)CC2)cc1 ZINC000004697030 558900791 /nfs/dbraw/zinc/90/07/91/558900791.db2.gz FVCVGAFKZBOXRT-RCCKNPSSSA-N 0 0 407.470 3.933 50 5 HHBARN Cc1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(N(C)C)c3C2)cc1[N+](=O)[O-] ZINC000004711858 558917612 /nfs/dbraw/zinc/91/76/12/558917612.db2.gz NLVHSLHHZAXMME-UHFFFAOYSA-N 0 0 417.469 3.625 50 5 HHBARN O=c1[nH][nH]c(-c2ccccc2O)c1[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004649873 558957533 /nfs/dbraw/zinc/95/75/33/558957533.db2.gz HOMJFGCSVMMSKO-ZDUSSCGKSA-N 0 0 404.220 3.659 50 5 HHBARN O=[N+]([O-])c1ccc(/C=C/c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 ZINC000004754910 559048786 /nfs/dbraw/zinc/04/87/86/559048786.db2.gz BUGFEYNFFKGJLN-JXMROGBWSA-N 0 0 403.427 3.662 50 5 HHBARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000004928825 559207289 /nfs/dbraw/zinc/20/72/89/559207289.db2.gz LNPFWPQKVRPLBQ-LJQANCHMSA-N 0 0 406.398 3.553 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C ZINC000004948182 559214047 /nfs/dbraw/zinc/21/40/47/559214047.db2.gz RHKMAWHDZGTDRJ-UHFFFAOYSA-N 0 0 412.471 3.925 50 5 HHBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1C[C@H]1CCCO1 ZINC000004994513 559225477 /nfs/dbraw/zinc/22/54/77/559225477.db2.gz OEFAKAVHKXYBML-QGZVFWFLSA-N 0 0 411.465 3.522 50 5 HHBARN O=C(Nc1cccc(O)c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000005049528 559235537 /nfs/dbraw/zinc/23/55/37/559235537.db2.gz KVAVAQYAIJKSAP-MOSHPQCFSA-N 0 0 403.394 3.710 50 5 HHBARN O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc2ccccc2c1 ZINC000005053255 559237359 /nfs/dbraw/zinc/23/73/59/559237359.db2.gz STSWHPPUMIMXRG-QFIPXVFZSA-N 0 0 401.378 3.575 50 5 HHBARN O=C(Nc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccs1 ZINC000005077750 559240679 /nfs/dbraw/zinc/24/06/79/559240679.db2.gz NPTZIDNKQVCGSQ-UHFFFAOYSA-N 0 0 403.441 3.709 50 5 HHBARN COc1cc(NC(=O)COc2ccc(Br)cc2F)c(C)cc1[N+](=O)[O-] ZINC000005102174 559246573 /nfs/dbraw/zinc/24/65/73/559246573.db2.gz DVGZRJLACRQKEA-UHFFFAOYSA-N 0 0 413.199 3.831 50 5 HHBARN O=C(NCCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000005165745 559272633 /nfs/dbraw/zinc/27/26/33/559272633.db2.gz FEZPMXVIGZHOOI-OQKWZONESA-N 0 0 415.449 3.725 50 5 biogenic HHBARN CCCSc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 ZINC000024193358 559276973 /nfs/dbraw/zinc/27/69/73/559276973.db2.gz ZVFQZOJZFUTADD-UHFFFAOYSA-N 0 0 411.578 3.864 50 5 HHBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000005181224 559289620 /nfs/dbraw/zinc/28/96/20/559289620.db2.gz XYBCKAYJKIAQSI-UHFFFAOYSA-N 0 0 402.863 3.820 50 5 HHBARN O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1Cc1ccncc1)CCCC2 ZINC000005264415 560553228 /nfs/dbraw/zinc/55/32/28/560553228.db2.gz WGGFTUDUBOFMAJ-UHFFFAOYSA-N 0 0 408.483 3.766 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O ZINC000005270090 560560509 /nfs/dbraw/zinc/56/05/09/560560509.db2.gz ANOMSJYMYUTBLT-UHFFFAOYSA-N 0 0 407.426 3.683 50 5 HHBARN CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000005173199 560624984 /nfs/dbraw/zinc/62/49/84/560624984.db2.gz CYNJOWWAXFLQMQ-UHFFFAOYSA-N 0 0 403.338 3.590 50 5 HHBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)CCSc1ccccc1 ZINC000100873759 560761377 /nfs/dbraw/zinc/76/13/77/560761377.db2.gz XYSUKQDAMVXMQK-VXPUYCOJSA-N 0 0 417.512 3.867 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(c3ccc(Cl)cc3Cl)=NO[C@@H]2C1=O ZINC000101050900 560767761 /nfs/dbraw/zinc/76/77/61/560767761.db2.gz UXPXACRHAUOCOU-ZBFHGGJFSA-N 0 0 420.208 3.503 50 5 HHBARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000011026080 560771079 /nfs/dbraw/zinc/77/10/79/560771079.db2.gz ACRCAYFTHYEKIE-UHFFFAOYSA-N 0 0 411.439 3.898 50 5 HHBARN CC(C)Cn1c(=N)c(C(=O)Nc2ccccc2Cl)cc2c1nc1ccccn1c2=O ZINC000101346976 560793285 /nfs/dbraw/zinc/79/32/85/560793285.db2.gz ZDZWRCNCUNILPN-UHFFFAOYSA-N 0 0 421.888 3.690 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102715457 560823118 /nfs/dbraw/zinc/82/31/18/560823118.db2.gz OBTZGXKXSUAATG-PWRODBHTSA-N 0 0 415.405 3.646 50 5 HHBARN COc1ccc(CNc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102781877 560827388 /nfs/dbraw/zinc/82/73/88/560827388.db2.gz YDLQPNUUCVYUEG-HDICACEKSA-N 0 0 409.442 3.895 50 5 HHBARN Cc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000046020650 568424082 /nfs/dbraw/zinc/42/40/82/568424082.db2.gz HSQUWXAFUIAFSI-UHFFFAOYSA-N 0 0 416.441 3.805 50 5 HHBARN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000048344727 568440894 /nfs/dbraw/zinc/44/08/94/568440894.db2.gz MHAMDITVKMMABB-UHFFFAOYSA-N 0 0 424.379 3.772 50 5 HHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000048355556 568441551 /nfs/dbraw/zinc/44/15/51/568441551.db2.gz GJANBYUYIKIQIC-ZDUSSCGKSA-N 0 0 400.435 3.717 50 5 HHBARN CCOc1cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O ZINC000000712114 568465470 /nfs/dbraw/zinc/46/54/70/568465470.db2.gz GEXGVZKQULEQLC-CXUHLZMHSA-N 0 0 410.382 3.572 50 5 HHBARN COc1ccc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1F ZINC000024835197 568469920 /nfs/dbraw/zinc/46/99/20/568469920.db2.gz RXQKJWVGROXNKR-UHFFFAOYSA-N 0 0 412.167 3.545 50 5 HHBARN CS(=O)(=O)c1ccccc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000024831950 568469957 /nfs/dbraw/zinc/46/99/57/568469957.db2.gz NDOAKQZRFCRDQO-UHFFFAOYSA-N 0 0 417.487 3.631 50 5 HHBARN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000024832451 568470033 /nfs/dbraw/zinc/47/00/33/568470033.db2.gz ASDFCKKZRWTRHK-UHFFFAOYSA-N 0 0 405.366 3.934 50 5 HHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000024869362 568473518 /nfs/dbraw/zinc/47/35/18/568473518.db2.gz LGLGXCDFPZNMSW-HOTGVXAUSA-N 0 0 413.499 3.953 50 5 HHBARN C[C@@H]1C[C@H](C)CN([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000020108473 568588471 /nfs/dbraw/zinc/58/84/71/568588471.db2.gz PRHBYPNOJYQGAP-LRAJWGHMSA-N 0 0 417.506 3.791 50 5 HHBARN COc1cc(C(=O)NC(C)(C)[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000095456405 568617761 /nfs/dbraw/zinc/61/77/61/568617761.db2.gz UJTXKHILNWLCGL-NSHDSACASA-N 0 0 408.838 3.938 50 5 HHBARN COCCCNc1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccccc1)C3=O ZINC000095470796 568626172 /nfs/dbraw/zinc/62/61/72/568626172.db2.gz IDHLOBUGGZFZAH-UHFFFAOYSA-N 0 0 405.410 3.997 50 5 HHBARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000021104765 568667027 /nfs/dbraw/zinc/66/70/27/568667027.db2.gz OSCPYMXFZNZYBX-HXUWFJFHSA-N 0 0 406.398 3.778 50 5 HHBARN COc1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000096014046 568685412 /nfs/dbraw/zinc/68/54/12/568685412.db2.gz UFKAZAIEAXAOGJ-QGZVFWFLSA-N 0 0 414.405 3.626 50 5 HHBARN Cc1cc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000021481651 568703551 /nfs/dbraw/zinc/70/35/51/568703551.db2.gz MDHFLVPAHFAHKS-INIZCTEOSA-N 0 0 423.347 3.588 50 5 HHBARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000021602981 568722652 /nfs/dbraw/zinc/72/26/52/568722652.db2.gz ACDFWUGAILNWSC-UHFFFAOYSA-N 0 0 417.487 3.685 50 5 HHBARN O=[N+]([O-])c1ccc(OC[C@@H](O)Cn2c3ccccc3nc2Cc2ccccc2)cc1 ZINC000000888800 568736878 /nfs/dbraw/zinc/73/68/78/568736878.db2.gz PSGJRONFPBVXPC-IBGZPJMESA-N 0 0 403.438 3.975 50 5 HHBARN COc1ccc(CCn2c(C)cc(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2C)cc1 ZINC000021741817 568752158 /nfs/dbraw/zinc/75/21/58/568752158.db2.gz GLIRPCXFJGXLSM-UHFFFAOYSA-N 0 0 410.474 3.961 50 5 HHBARN CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000000943619 568752963 /nfs/dbraw/zinc/75/29/63/568752963.db2.gz MRKAIHUHIIBOKG-GFCCVEGCSA-N 0 0 418.471 3.975 50 5 HHBARN O=[N+]([O-])c1ccc2[nH]c(SCc3nc4ncccn4c3Br)nc2c1 ZINC000001006277 568761170 /nfs/dbraw/zinc/76/11/70/568761170.db2.gz UZAHJCROANPETE-UHFFFAOYSA-N 0 0 405.237 3.569 50 5 HHBARN CCOC(=O)c1nnn2c1nc(SCc1ccc([N+](=O)[O-])cc1)c1ccccc12 ZINC000001035667 568764057 /nfs/dbraw/zinc/76/40/57/568764057.db2.gz YOOXCMLUYGXXKN-UHFFFAOYSA-N 0 0 409.427 3.655 50 5 HHBARN COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C ZINC000001031365 568764116 /nfs/dbraw/zinc/76/41/16/568764116.db2.gz CBWBENNKCRRYEV-UHFFFAOYSA-N 0 0 407.810 3.844 50 5 HHBARN O=[N+]([O-])c1cc(I)cc(-c2nnc(-c3ccccc3O)o2)c1 ZINC000001071837 568765618 /nfs/dbraw/zinc/76/56/18/568765618.db2.gz MTMCXQDBTYMLQT-UHFFFAOYSA-N 0 0 409.139 3.622 50 5 HHBARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001114009 568770553 /nfs/dbraw/zinc/77/05/53/568770553.db2.gz BSAYUQVFGNKOIT-UHFFFAOYSA-N 0 0 405.476 3.658 50 5 HHBARN CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001127683 568771131 /nfs/dbraw/zinc/77/11/31/568771131.db2.gz RWYSWBGRTSWNGT-UHFFFAOYSA-N 0 0 409.471 3.555 50 5 HHBARN COc1nn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)c(C)c1[N+](=O)[O-] ZINC000002466120 568772400 /nfs/dbraw/zinc/77/24/00/568772400.db2.gz WBIAWPBVVNOTOH-UHFFFAOYSA-N 0 0 409.324 3.582 50 5 HHBARN CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000001149897 568772750 /nfs/dbraw/zinc/77/27/50/568772750.db2.gz CUKQWMUEVQEVHB-UHFFFAOYSA-N 0 0 411.439 3.672 50 5 HHBARN O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001136791 568773502 /nfs/dbraw/zinc/77/35/02/568773502.db2.gz AZTWWKXBXWDVRB-UHFFFAOYSA-N 0 0 400.387 3.819 50 5 HHBARN Cc1ccc(Cl)c(NC(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000055545162 568779117 /nfs/dbraw/zinc/77/91/17/568779117.db2.gz NHKUEFLDPVLXEX-UHFFFAOYSA-N 0 0 417.897 3.500 50 5 HHBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1Cc1ccccc1 ZINC000002653720 568797314 /nfs/dbraw/zinc/79/73/14/568797314.db2.gz KFDOQMGCFXKHBU-UHFFFAOYSA-N 0 0 414.421 3.534 50 5 HHBARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(CC)cc1[N+](=O)[O-])C[C@H](CC)CC2 ZINC000002731046 568804851 /nfs/dbraw/zinc/80/48/51/568804851.db2.gz FTSPFQYHYBISCF-LLVKDONJSA-N 0 0 420.491 3.817 50 5 HHBARN C[C@H]1CCCCN1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000002744506 568806286 /nfs/dbraw/zinc/80/62/86/568806286.db2.gz ZBXYWUNJIJQLEP-LBPRGKRZSA-N 0 0 407.268 3.617 50 5 HHBARN Cc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)nn1Cc1ccc(Cl)cc1 ZINC000002755775 568806499 /nfs/dbraw/zinc/80/64/99/568806499.db2.gz MGCRJUGYMBVYLI-UHFFFAOYSA-N 0 0 423.260 3.598 50 5 HHBARN CCCCNS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002828527 568812523 /nfs/dbraw/zinc/81/25/23/568812523.db2.gz DPCUOTLLLVUMRD-UHFFFAOYSA-N 0 0 411.867 3.579 50 5 HHBARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 ZINC000002860395 568813482 /nfs/dbraw/zinc/81/34/82/568813482.db2.gz YPUMWBYRXNFSDZ-UHFFFAOYSA-N 0 0 408.443 3.939 50 5 HHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000015179128 568818571 /nfs/dbraw/zinc/81/85/71/568818571.db2.gz LOYNOQWYOXEPDW-CYBMUJFWSA-N 0 0 405.401 3.603 50 5 HHBARN COc1cc(C=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000001171069 568818833 /nfs/dbraw/zinc/81/88/33/568818833.db2.gz UPAIVVIYRRSMIS-UHFFFAOYSA-N 0 0 413.167 3.600 50 5 HHBARN Cc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 ZINC000001190703 568822838 /nfs/dbraw/zinc/82/28/38/568822838.db2.gz WLGFIMDFPFEGIL-ODLFYWEKSA-N 0 0 403.419 3.934 50 5 HHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000001208927 568823581 /nfs/dbraw/zinc/82/35/81/568823581.db2.gz UXRMSYYOUXRBFM-UHFFFAOYSA-N 0 0 413.345 3.564 50 5 HHBARN O=C(c1ccc(Cl)cc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@]1(O)C(F)(F)F ZINC000001214630 568824651 /nfs/dbraw/zinc/82/46/51/568824651.db2.gz FADUJUDQXRNFIF-INIZCTEOSA-N 0 0 413.739 3.749 50 5 HHBARN COCCN(CCOC)C(=O)c1ccc(SCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000003015247 568838580 /nfs/dbraw/zinc/83/85/80/568838580.db2.gz YFEGXUAKXVPJQB-UHFFFAOYSA-N 0 0 418.515 3.931 50 5 HHBARN O=C(c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000003020410 568840147 /nfs/dbraw/zinc/84/01/47/568840147.db2.gz PUVMCQCJHXTCMU-UHFFFAOYSA-N 0 0 418.446 3.864 50 5 HHBARN COc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1[N+](=O)[O-] ZINC000002058375 568844036 /nfs/dbraw/zinc/84/40/36/568844036.db2.gz XKQLKAYLZPLPNQ-AWNIVKPZSA-N 0 0 403.734 3.510 50 5 HHBARN Cn1ccnc1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000012551028 568853062 /nfs/dbraw/zinc/85/30/62/568853062.db2.gz MXMYFOGWMCLJGT-QGZVFWFLSA-N 0 0 420.878 3.587 50 5 HHBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1ccccc1 ZINC000003095312 568854699 /nfs/dbraw/zinc/85/46/99/568854699.db2.gz XQESPNLTSAVGFX-UHFFFAOYSA-N 0 0 400.378 3.901 50 5 HHBARN CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012554104 568854844 /nfs/dbraw/zinc/85/48/44/568854844.db2.gz OAWBIJKIIQMAJN-NWDGAFQWSA-N 0 0 409.430 3.815 50 5 HHBARN O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2c3c(ccc4ccccc43)OC[C@@H]2CO)cc1 ZINC000004052944 568880746 /nfs/dbraw/zinc/88/07/46/568880746.db2.gz RWLPDQABUIAHIV-XOBRGWDASA-N 0 0 409.467 3.777 50 5 HHBARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000003401731 568896719 /nfs/dbraw/zinc/89/67/19/568896719.db2.gz DKTZLTFTFAQDPK-UHFFFAOYSA-N 0 0 415.449 3.871 50 5 HHBARN COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCCC2)cc1 ZINC000058268832 568907125 /nfs/dbraw/zinc/90/71/25/568907125.db2.gz DQHKRLDUZOFVNP-JOCHJYFZSA-N 0 0 422.485 3.767 50 5 HHBARN C[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003475991 568907996 /nfs/dbraw/zinc/90/79/96/568907996.db2.gz HCHACROBBDCALA-HNNXBMFYSA-N 0 0 401.418 3.808 50 5 HHBARN Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c(C)n1C[C@H]1CCCO1 ZINC000003542701 568914013 /nfs/dbraw/zinc/91/40/13/568914013.db2.gz KFIBTFKLRUJECA-MRXNPFEDSA-N 0 0 400.431 3.540 50 5 HHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003565695 568916230 /nfs/dbraw/zinc/91/62/30/568916230.db2.gz RYOIHNKXNSHPCN-UHFFFAOYSA-N 0 0 424.482 3.627 50 5 HHBARN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304568 568922591 /nfs/dbraw/zinc/92/25/91/568922591.db2.gz GVFAGNBQNJJYFP-RDJZCZTQSA-N 0 0 408.930 3.550 50 5 HHBARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000003764485 568925893 /nfs/dbraw/zinc/92/58/93/568925893.db2.gz FUXNTYWEVHRORR-UHFFFAOYSA-N 0 0 410.411 3.567 50 5 HHBARN O=C(OCc1csc(Br)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058940358 568933821 /nfs/dbraw/zinc/93/38/21/568933821.db2.gz ARDRKPAFPXHBRF-UHFFFAOYSA-N 0 0 408.233 3.962 50 5 HHBARN O=C(c1ccc(Br)o1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120132 568944721 /nfs/dbraw/zinc/94/47/21/568944721.db2.gz HZWKIWKLKANDPM-UHFFFAOYSA-N 0 0 410.249 3.696 50 5 HHBARN Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1[N+](=O)[O-] ZINC000004149958 568946802 /nfs/dbraw/zinc/94/68/02/568946802.db2.gz IAUBUKGZDDAAIO-UHFFFAOYSA-N 0 0 400.412 3.969 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000004290317 568958881 /nfs/dbraw/zinc/95/88/81/568958881.db2.gz WOBVOOPLUNSGLV-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)NC1CCCCC1 ZINC000006099839 569001497 /nfs/dbraw/zinc/00/14/97/569001497.db2.gz PIOGBLCJURIDAW-UHFFFAOYSA-N 0 0 411.458 3.813 50 5 HHBARN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc([N+](=O)[O-])cc1 ZINC000008442432 569003298 /nfs/dbraw/zinc/00/32/98/569003298.db2.gz WMMGUUXJPBEGEQ-KRWDZBQOSA-N 0 0 418.405 3.527 50 5 HHBARN COC(=O)c1ccccc1NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000008454106 569003856 /nfs/dbraw/zinc/00/38/56/569003856.db2.gz SCLXYZUVIMRRON-UHFFFAOYSA-N 0 0 424.457 3.756 50 5 HHBARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000015881992 569018933 /nfs/dbraw/zinc/01/89/33/569018933.db2.gz OCQAXMGWGZSDQS-GOSISDBHSA-N 0 0 416.480 3.601 50 5 HHBARN O=c1[nH]c2cc3c(cc2cc1-c1c2c[nH]nc2nc2c4ccc(O)cc4oc21)OCO3 ZINC000217725603 569039061 /nfs/dbraw/zinc/03/90/61/569039061.db2.gz AIZYDUCVGQZSBV-UHFFFAOYSA-N 0 0 412.361 3.800 50 5 biogenic HHBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001903784 569057766 /nfs/dbraw/zinc/05/77/66/569057766.db2.gz GPCUZDFYFYWDBQ-UHFFFAOYSA-N 0 0 421.387 3.505 50 5 HHBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(=O)n3ccsc3n2)cc1 ZINC000006537450 569064393 /nfs/dbraw/zinc/06/43/93/569064393.db2.gz VWEOUPLDJLXBKM-UHFFFAOYSA-N 0 0 409.423 3.919 50 5 HHBARN COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[N+](=O)[O-])cc3C2=O)cc1 ZINC000016663350 569066429 /nfs/dbraw/zinc/06/64/29/569066429.db2.gz FRYUTZBPJPZRFK-UHFFFAOYSA-N 0 0 417.377 3.656 50 5 HHBARN C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006622914 569074998 /nfs/dbraw/zinc/07/49/98/569074998.db2.gz HZBVAZKGDYFCII-NSHDSACASA-N 0 0 403.851 3.948 50 5 HHBARN Cc1c(O[C@@H](C)C(=O)NC[C@@H](O)c2ccccc2)ccc2c3ccccc3c(=O)oc12 ZINC000006659579 569083725 /nfs/dbraw/zinc/08/37/25/569083725.db2.gz BSPNMOIRUNESNA-HRAATJIYSA-N 0 0 417.461 3.872 50 5 HHBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1cccs1 ZINC000006740916 569106694 /nfs/dbraw/zinc/10/66/94/569106694.db2.gz CRFTVWFUDMNRKM-VIFPVBQESA-N 0 0 402.350 3.902 50 5 HHBARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017051847 569272655 /nfs/dbraw/zinc/27/26/55/569272655.db2.gz DNVCHJMOHTWHGI-UHFFFAOYSA-N 0 0 424.482 3.633 50 5 HHBARN O=C(Nc1ccc(Cl)cc1F)c1cccc(Cn2cc([N+](=O)[O-])c([N+](=O)[O-])n2)c1 ZINC000017091994 569274295 /nfs/dbraw/zinc/27/42/95/569274295.db2.gz UUBJDOHBRLMUKI-UHFFFAOYSA-N 0 0 419.756 3.793 50 5 HHBARN COCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000002090364 569280318 /nfs/dbraw/zinc/28/03/18/569280318.db2.gz URCOWEVNXGXRJC-UHFFFAOYSA-N 0 0 404.444 3.591 50 5 HHBARN CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002251765 569324011 /nfs/dbraw/zinc/32/40/11/569324011.db2.gz LFEPLMKZOTYFFP-GDBMZVCRSA-N 0 0 403.460 3.585 50 5 HHBARN O=c1sc(-c2cccc(Br)c2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000019878925 569357414 /nfs/dbraw/zinc/35/74/14/569357414.db2.gz MFJFKWKGVTYIAR-UHFFFAOYSA-N 0 0 423.204 3.540 50 5 HHBARN 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HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nccc(C(F)(F)F)n1 ZINC000032903567 522976771 /nfs/dbraw/zinc/97/67/71/522976771.db2.gz WXXKSBXTFLIGKO-UHFFFAOYSA-N 0 0 402.354 3.533 50 5 HHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000032842240 523184618 /nfs/dbraw/zinc/18/46/18/523184618.db2.gz ARIHJHHLQSRHFT-UHFFFAOYSA-N 0 0 401.850 3.576 50 5 HHBARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1F ZINC000032931519 524496078 /nfs/dbraw/zinc/49/60/78/524496078.db2.gz PJYUIJFAHLWOCO-UHFFFAOYSA-N 0 0 413.449 3.519 50 5 HHBARN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000032900277 525142155 /nfs/dbraw/zinc/14/21/55/525142155.db2.gz VXLDZDSYEPRZDT-OAHLLOKOSA-N 0 0 400.434 3.761 50 5 HHBARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000012537981 534850675 /nfs/dbraw/zinc/85/06/75/534850675.db2.gz YUBHDTTUWRLYBF-UHFFFAOYSA-N 0 0 403.438 3.913 50 5 HHBARN O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCC(F)(F)F)cc1 ZINC000032932271 526691173 /nfs/dbraw/zinc/69/11/73/526691173.db2.gz HRMSQJKVAMOGOM-UHFFFAOYSA-N 0 0 408.336 3.914 50 5 HHBARN O=C1N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000001147348 527040705 /nfs/dbraw/zinc/04/07/05/527040705.db2.gz TYIMXYJOTRWKRP-XDHOZWIPSA-N 0 0 406.373 3.618 50 5 HHBARN O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000032787171 527554532 /nfs/dbraw/zinc/55/45/32/527554532.db2.gz UACGMFJKRHLVDX-UHFFFAOYSA-N 0 0 401.728 3.793 50 5 HHBARN O=C(c1cccc(Br)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008443036 557789986 /nfs/dbraw/zinc/78/99/86/557789986.db2.gz OWXJXMCGAHMPKD-UHFFFAOYSA-N 0 0 424.682 3.973 50 5 HHBARN Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)c1 ZINC000020095924 558331489 /nfs/dbraw/zinc/33/14/89/558331489.db2.gz WWPQVGUZJZWDMA-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN Cc1nc(-c2cccc(C)c2)sc1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004346971 558427861 /nfs/dbraw/zinc/42/78/61/558427861.db2.gz FVCHIONLALBZGR-UHFFFAOYSA-N 0 0 417.512 3.856 50 5 HHBARN COc1cc(C(=O)NCC(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c(OC)c1OC ZINC000059827425 558558645 /nfs/dbraw/zinc/55/86/45/558558645.db2.gz ZEFPPDQGUUPHRZ-UHFFFAOYSA-N 0 0 422.865 3.982 50 5 HHBARN CCN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000072270997 558673411 /nfs/dbraw/zinc/67/34/11/558673411.db2.gz FOWXHNKJFHUIPJ-NSHDSACASA-N 0 0 410.297 3.793 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1c(F)cccc1Cl ZINC000004579932 558762355 /nfs/dbraw/zinc/76/23/55/558762355.db2.gz XZFYBISKSFSETI-UHFFFAOYSA-N 0 0 414.842 3.751 50 5 HHBARN Cc1[nH]c2c(cccc2C)c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004580907 558767139 /nfs/dbraw/zinc/76/71/39/558767139.db2.gz XXDDGURLPFZQND-UHFFFAOYSA-N 0 0 407.879 3.867 50 5 HHBARN COc1ccc2[nH]cc(CCNS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2c1 ZINC000072307365 558767322 /nfs/dbraw/zinc/76/73/22/558767322.db2.gz GDFUZSLTQHYFTP-UHFFFAOYSA-N 0 0 423.878 3.568 50 5 HHBARN Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1C ZINC000022145882 558779269 /nfs/dbraw/zinc/77/92/69/558779269.db2.gz NXYVZEXRDQREHA-UHFFFAOYSA-N 0 0 403.866 3.593 50 5 HHBARN O=C(Nc1ccccc1OCC(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033001125 558826911 /nfs/dbraw/zinc/82/69/11/558826911.db2.gz COXDEYRHQKVAHU-UHFFFAOYSA-N 0 0 406.320 3.974 50 5 HHBARN Cc1[nH]c2ccc(C)cc2c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004594445 558832105 /nfs/dbraw/zinc/83/21/05/558832105.db2.gz MSDGEQMGANJYMF-UHFFFAOYSA-N 0 0 407.879 3.867 50 5 HHBARN CCCC[C@@H](CC)CNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O ZINC000004603637 558847182 /nfs/dbraw/zinc/84/71/82/558847182.db2.gz GVMYTNRWXPBXAH-UZLBHIALSA-N 0 0 413.474 3.513 50 5 HHBARN Cc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000004664368 558874703 /nfs/dbraw/zinc/87/47/03/558874703.db2.gz HCPKOYBHVLAQOM-UHFFFAOYSA-N 0 0 400.909 3.768 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 ZINC000004724049 558923015 /nfs/dbraw/zinc/92/30/15/558923015.db2.gz RYRVRRXLUNKDRQ-QGZVFWFLSA-N 0 0 410.821 3.767 50 5 HHBARN Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc(C)c1C ZINC000013930263 558958867 /nfs/dbraw/zinc/95/88/67/558958867.db2.gz BLTQZCPCHNDZPA-UHFFFAOYSA-N 0 0 411.281 3.803 50 5 HHBARN O=C(OCc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000023079058 558999459 /nfs/dbraw/zinc/99/94/59/558999459.db2.gz ACTXKHIAINLIJE-UHFFFAOYSA-N 0 0 421.247 3.551 50 5 HHBARN Cc1c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] ZINC000023103979 559009712 /nfs/dbraw/zinc/00/97/12/559009712.db2.gz DPHZYQJBZIKIHL-UHFFFAOYSA-N 0 0 402.760 3.812 50 5 HHBARN Cc1ccc(OCc2cccc(C(=O)N3NC=C[C@]3(O)C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000013960381 559014412 /nfs/dbraw/zinc/01/44/12/559014412.db2.gz CRWIWYOQBWEPNO-SFHVURJKSA-N 0 0 423.347 3.565 50 5 HHBARN Cc1c(C(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cccc1[N+](=O)[O-] ZINC000023137149 559019021 /nfs/dbraw/zinc/01/90/21/559019021.db2.gz KHHXDJPVWDSHAM-UHFFFAOYSA-N 0 0 402.520 3.615 50 5 HHBARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004736780 559036536 /nfs/dbraw/zinc/03/65/36/559036536.db2.gz HWZSORBPYQLPMP-UHFFFAOYSA-N 0 0 410.474 3.674 50 5 HHBARN CCNc1cc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000004740898 559043668 /nfs/dbraw/zinc/04/36/68/559043668.db2.gz FRPHOGMLGFBARB-UHFFFAOYSA-N 0 0 402.882 3.951 50 5 HHBARN O=C(NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])nn1Cc1ccccc1F ZINC000004772574 559057782 /nfs/dbraw/zinc/05/77/82/559057782.db2.gz CYLDYPWFNIPYOW-UHFFFAOYSA-N 0 0 402.813 3.605 50 5 HHBARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000004784257 559063037 /nfs/dbraw/zinc/06/30/37/559063037.db2.gz SWKHIBRWEQKGHD-XMMPIXPASA-N 0 0 416.433 3.911 50 5 HHBARN Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004958745 559216400 /nfs/dbraw/zinc/21/64/00/559216400.db2.gz LVFSIPQULCUTEP-UHFFFAOYSA-N 0 0 416.459 3.553 50 5 HHBARN CC1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004998203 559225269 /nfs/dbraw/zinc/22/52/69/559225269.db2.gz ZTDVCODHGPLTLY-UHFFFAOYSA-N 0 0 416.453 3.526 50 5 HHBARN Cc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000005023191 559230554 /nfs/dbraw/zinc/23/05/54/559230554.db2.gz RPOKZRAWRIUWOV-UHFFFAOYSA-N 0 0 400.909 3.768 50 5 HHBARN Cc1nc(-c2ccc(C)cc2)sc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005108159 559246326 /nfs/dbraw/zinc/24/63/26/559246326.db2.gz MNOHYDRKIJCDNR-UHFFFAOYSA-N 0 0 417.512 3.856 50 5 HHBARN CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005119784 559247621 /nfs/dbraw/zinc/24/76/21/559247621.db2.gz UZHVXNOFMCHUPQ-FQEVSTJZSA-N 0 0 416.499 3.548 50 5 HHBARN Cc1nn(CC(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1[N+](=O)[O-] ZINC000005130171 559249311 /nfs/dbraw/zinc/24/93/11/559249311.db2.gz IKXWTYJBSRRRKL-UHFFFAOYSA-N 0 0 416.478 3.837 50 5 HHBARN Cc1cccc(C)c1NC1=C(Cl)C(=O)O[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100706692 559259183 /nfs/dbraw/zinc/25/91/83/559259183.db2.gz JMWYMYCYFUSHEV-IBGZPJMESA-N 0 0 402.790 3.814 50 5 HHBARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000024199006 559277995 /nfs/dbraw/zinc/27/79/95/559277995.db2.gz QQFYFGWMNQXGHD-UHFFFAOYSA-N 0 0 415.405 3.959 50 5 HHBARN COc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000005172640 559287901 /nfs/dbraw/zinc/28/79/01/559287901.db2.gz AWMCVSHQGOYDSS-JYRVWZFOSA-N 0 0 403.188 3.710 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000005269492 560560211 /nfs/dbraw/zinc/56/02/11/560560211.db2.gz BYXISSWOLIOQMH-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN CCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccc([N+](=O)[O-])c1 ZINC000005345493 560569906 /nfs/dbraw/zinc/56/99/06/560569906.db2.gz KJNLWAMEOWWUKQ-UHFFFAOYSA-N 0 0 404.426 3.624 50 5 HHBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000002647428 560587036 /nfs/dbraw/zinc/58/70/36/560587036.db2.gz AVOWPVYXANDGHT-UHFFFAOYSA-N 0 0 409.349 3.544 50 5 HHBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005508622 560599906 /nfs/dbraw/zinc/59/99/06/560599906.db2.gz HJLLUOPPBDKALB-KPZWWZAWSA-N 0 0 402.834 3.987 50 5 HHBARN COc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000005637749 560635677 /nfs/dbraw/zinc/63/56/77/560635677.db2.gz AOEXEUOIZCUFBS-UHFFFAOYSA-N 0 0 413.459 3.532 50 5 HHBARN Cc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000005659680 560639674 /nfs/dbraw/zinc/63/96/74/560639674.db2.gz SHKGAZGIPBDAHQ-UHFFFAOYSA-N 0 0 400.460 3.625 50 5 HHBARN O=[N+]([O-])c1cccc(C2=Nc3nnnn3[C@@H](c3cc(Br)ccc3F)C2)c1 ZINC000101060325 560768750 /nfs/dbraw/zinc/76/87/50/560768750.db2.gz DLXMZEHISMDDSP-OAHLLOKOSA-N 0 0 417.198 3.539 50 5 HHBARN O=C(c1ccccc1)[C@H]1C(c2ccc([N+](=O)[O-])cc2)=NO[C@@]12C(=O)Nc1ccccc12 ZINC000102898694 560834944 /nfs/dbraw/zinc/83/49/44/560834944.db2.gz JHWGXAQPUPVFDH-AUSIDOKSSA-N 0 0 413.389 3.676 50 5 HHBARN COc1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O ZINC000000662494 568460272 /nfs/dbraw/zinc/46/02/72/568460272.db2.gz YCRWRTKIHULIQF-VGOFMYFVSA-N 0 0 416.773 3.527 50 5 HHBARN O=C(CCc1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000728252 568466265 /nfs/dbraw/zinc/46/62/65/568466265.db2.gz LEEJRNUMZINBPB-GOSISDBHSA-N 0 0 407.348 3.523 50 5 HHBARN CCC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000799708 568483589 /nfs/dbraw/zinc/48/35/89/568483589.db2.gz QLEQYTJRPQGEIU-SFHVURJKSA-N 0 0 418.247 3.815 50 5 HHBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000020405973 568604625 /nfs/dbraw/zinc/60/46/25/568604625.db2.gz HOBPIWXSMFTYDZ-UHFFFAOYSA-N 0 0 412.302 3.816 50 5 HHBARN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000095443808 568611314 /nfs/dbraw/zinc/61/13/14/568611314.db2.gz HCPDSAZMJIJXTP-SFHVURJKSA-N 0 0 424.906 3.518 50 5 HHBARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020605371 568636360 /nfs/dbraw/zinc/63/63/60/568636360.db2.gz OPQNMUJKGRXXED-UHFFFAOYSA-N 0 0 423.454 3.537 50 5 HHBARN Cc1cc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000021481649 568703609 /nfs/dbraw/zinc/70/36/09/568703609.db2.gz MDHFLVPAHFAHKS-MRXNPFEDSA-N 0 0 423.347 3.588 50 5 HHBARN COc1ccc(S(=O)(=O)Oc2cccc(Oc3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000024991782 568711427 /nfs/dbraw/zinc/71/14/27/568711427.db2.gz OBGUMJSPZNLIAY-UHFFFAOYSA-N 0 0 402.384 3.558 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000867230 568724170 /nfs/dbraw/zinc/72/41/70/568724170.db2.gz JYCXTDKRQXMBEE-KRWDZBQOSA-N 0 0 400.822 3.823 50 5 HHBARN C[C@H](OC(=O)CCc1ccc2c(c1)OCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012452885 568748979 /nfs/dbraw/zinc/74/89/79/568748979.db2.gz WQWGKOIFRTYZAM-LBPRGKRZSA-N 0 0 411.370 3.611 50 5 HHBARN COc1ccc(Cl)cc1NC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O ZINC000001052496 568764858 /nfs/dbraw/zinc/76/48/58/568764858.db2.gz JRECJMPZCOBDMC-UHFFFAOYSA-N 0 0 404.762 3.624 50 5 HHBARN CC(C)Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000001095918 568769577 /nfs/dbraw/zinc/76/95/77/568769577.db2.gz QPGILSXEKPZYHZ-UHFFFAOYSA-N 0 0 412.471 3.692 50 5 HHBARN Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000001112709 568770560 /nfs/dbraw/zinc/77/05/60/568770560.db2.gz LUWOWHYDLMVKDF-UHFFFAOYSA-N 0 0 417.487 3.720 50 5 HHBARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000001119822 568770889 /nfs/dbraw/zinc/77/08/89/568770889.db2.gz WLDFSPWXYFTKTC-HSZRJFAPSA-N 0 0 402.406 3.602 50 5 HHBARN CCOC(=O)c1ccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000001121104 568771195 /nfs/dbraw/zinc/77/11/95/568771195.db2.gz QDSWHWUDNHZQKB-UHFFFAOYSA-N 0 0 408.204 3.891 50 5 HHBARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000001130349 568773033 /nfs/dbraw/zinc/77/30/33/568773033.db2.gz SSVVSVVKQFARCB-LKBVRNOZSA-N 0 0 416.411 3.761 50 5 HHBARN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000001135853 568773250 /nfs/dbraw/zinc/77/32/50/568773250.db2.gz HXVPSYWAYIXOLV-UHFFFAOYSA-N 0 0 404.422 3.586 50 5 HHBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000001138332 568773477 /nfs/dbraw/zinc/77/34/77/568773477.db2.gz XZYCLHUSFZSWMK-UHFFFAOYSA-N 0 0 411.867 3.577 50 5 HHBARN CSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 ZINC000001169090 568775421 /nfs/dbraw/zinc/77/54/21/568775421.db2.gz HWIVMYFHFOOKLQ-GOSISDBHSA-N 0 0 409.427 3.613 50 5 HHBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c2c(nc3ccccc31)CCC2 ZINC000002633819 568791516 /nfs/dbraw/zinc/79/15/16/568791516.db2.gz BVVDKAGGZZCOGG-UHFFFAOYSA-N 0 0 406.394 3.855 50 5 HHBARN Cc1ccc(OCc2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n[nH]2)cc1 ZINC000002661995 568799411 /nfs/dbraw/zinc/79/94/11/568799411.db2.gz OEYKEIRSQJBBRI-UHFFFAOYSA-N 0 0 414.443 3.759 50 5 HHBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000002864711 568813445 /nfs/dbraw/zinc/81/34/45/568813445.db2.gz DEZYPEHKTUSNJB-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN CC(=O)Nc1ccc2c(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000028938928 568813531 /nfs/dbraw/zinc/81/35/31/568813531.db2.gz IMXADCGQMFZOHE-UHFFFAOYSA-N 0 0 416.773 3.670 50 5 HHBARN O=C(Oc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002895949 568814954 /nfs/dbraw/zinc/81/49/54/568814954.db2.gz RXQOXZNMKWEJLC-UHFFFAOYSA-N 0 0 408.322 3.941 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)O1 ZINC000002941827 568819355 /nfs/dbraw/zinc/81/93/55/568819355.db2.gz GKVYVFRJPMFIJK-RIYZIHGNSA-N 0 0 403.188 3.710 50 5 HHBARN COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002949900 568820711 /nfs/dbraw/zinc/82/07/11/568820711.db2.gz FGIXFKTVGNDISN-QGZVFWFLSA-N 0 0 408.819 3.764 50 5 HHBARN COc1ccc(C(=O)Nc2ccc3nn(-c4cccc([N+](=O)[O-])c4)nc3c2)cc1OC ZINC000001217558 568824862 /nfs/dbraw/zinc/82/48/62/568824862.db2.gz SSCXYIRDUYZBAN-UHFFFAOYSA-N 0 0 419.397 3.598 50 5 HHBARN COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)C(C)C)CC2 ZINC000002976757 568832463 /nfs/dbraw/zinc/83/24/63/568832463.db2.gz OBDDDXCEGHQMTA-LJQANCHMSA-N 0 0 414.458 3.773 50 5 HHBARN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)C(C)C)CC2 ZINC000002976759 568832534 /nfs/dbraw/zinc/83/25/34/568832534.db2.gz OBDDDXCEGHQMTA-IBGZPJMESA-N 0 0 414.458 3.773 50 5 HHBARN O=C(NCc1ccc(Br)cc1)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000057477700 568839699 /nfs/dbraw/zinc/83/96/99/568839699.db2.gz GJWNUKGCEFDWGE-UHFFFAOYSA-N 0 0 408.255 3.540 50 5 HHBARN CCCCn1c2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n(CC)c2c(=O)[nH]c1=O ZINC000012530790 568844121 /nfs/dbraw/zinc/84/41/21/568844121.db2.gz DHXZKQOYSBBULY-UHFFFAOYSA-N 0 0 423.429 3.542 50 5 HHBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3csnn3)s2)c(Cl)c1 ZINC000003104661 568855686 /nfs/dbraw/zinc/85/56/86/568855686.db2.gz MYCSNJMWVKGQOF-UHFFFAOYSA-N 0 0 403.850 3.596 50 5 HHBARN O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003154681 568858426 /nfs/dbraw/zinc/85/84/26/568858426.db2.gz ZVLYHUFBGCNDSE-UHFFFAOYSA-N 0 0 407.338 3.975 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1C ZINC000030497832 568867772 /nfs/dbraw/zinc/86/77/72/568867772.db2.gz KDZKJUDUNIKOFK-INIZCTEOSA-N 0 0 410.517 3.643 50 5 HHBARN O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000057993808 568873061 /nfs/dbraw/zinc/87/30/61/568873061.db2.gz NYINKJNOXSFVPQ-UHFFFAOYSA-N 0 0 400.504 3.673 50 5 HHBARN COc1cccc(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000058039204 568879474 /nfs/dbraw/zinc/87/94/74/568879474.db2.gz XYBDCIRVWBSKBX-OAHLLOKOSA-N 0 0 409.446 3.537 50 5 HHBARN Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000003355649 568886724 /nfs/dbraw/zinc/88/67/24/568886724.db2.gz RYHBQTMLCRFLEL-UHFFFAOYSA-N 0 0 423.381 3.544 50 5 HHBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 ZINC000003362873 568888551 /nfs/dbraw/zinc/88/85/51/568888551.db2.gz TYMQHCFKLQEMIA-UHFFFAOYSA-N 0 0 420.421 3.898 50 5 HHBARN C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003390502 568894487 /nfs/dbraw/zinc/89/44/87/568894487.db2.gz YPLXTHSEBKNQPZ-SNVBAGLBSA-N 0 0 418.862 3.614 50 5 HHBARN O=C1C[C@@H](c2cc(Br)cc3c2OCOC3)Oc2ccc([N+](=O)[O-])cc21 ZINC000001316114 568914037 /nfs/dbraw/zinc/91/40/37/568914037.db2.gz BHZJYBGFBKEAED-INIZCTEOSA-N 0 0 406.188 3.930 50 5 HHBARN COc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)cc(C)cc2[N+](=O)[O-])cc1OC ZINC000003878135 568928278 /nfs/dbraw/zinc/92/82/78/568928278.db2.gz PBUVTJMRDSTHAB-SOFGYWHQSA-N 0 0 415.471 3.755 50 5 HHBARN C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000003991694 568931436 /nfs/dbraw/zinc/93/14/36/568931436.db2.gz KJMFOTCDISOHDX-INIZCTEOSA-N 0 0 402.300 3.521 50 5 in-vivo HHBARN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1 ZINC000001417265 568934780 /nfs/dbraw/zinc/93/47/80/568934780.db2.gz WQVYSBQGOWIHOL-RQZCQDPDSA-N 0 0 400.412 3.849 50 5 HHBARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000012750165 568937849 /nfs/dbraw/zinc/93/78/49/568937849.db2.gz BXNGOXDMMSWDKD-ZIAGYGMSSA-N 0 0 404.492 3.547 50 5 HHBARN COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(C)=O)c3c2)cc1[N+](=O)[O-] ZINC000004148322 568946084 /nfs/dbraw/zinc/94/60/84/568946084.db2.gz LWHASFOGDONDMB-UHFFFAOYSA-N 0 0 404.400 3.661 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229532310 568950163 /nfs/dbraw/zinc/95/01/63/568950163.db2.gz OWCHBYNTAGFZKE-BFUOFWGJSA-N 0 0 419.865 3.657 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012772569 568952778 /nfs/dbraw/zinc/95/27/78/568952778.db2.gz OCXOZOCXTGSONC-UHFFFAOYSA-N 0 0 422.441 3.682 50 5 HHBARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015604037 568954040 /nfs/dbraw/zinc/95/40/40/568954040.db2.gz SXZHXRIQZBFSEL-AQDCRGGLSA-N 0 0 410.426 3.847 50 5 HHBARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000004276394 568958179 /nfs/dbraw/zinc/95/81/79/568958179.db2.gz XZPAIMKZGPZKHI-INIZCTEOSA-N 0 0 404.785 3.654 50 5 HHBARN CCOC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001467218 568991368 /nfs/dbraw/zinc/99/13/68/568991368.db2.gz SGHSJTIUQGWTGJ-SFHVURJKSA-N 0 0 405.414 3.705 50 5 HHBARN Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000008453661 569003959 /nfs/dbraw/zinc/00/39/59/569003959.db2.gz XRZHWSUHYKRPNH-UHFFFAOYSA-N 0 0 419.781 3.863 50 5 HHBARN COc1ccc([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1[N+](=O)[O-] ZINC000001517311 569011263 /nfs/dbraw/zinc/01/12/63/569011263.db2.gz YNLBDXBHNVKRFK-IBGZPJMESA-N 0 0 412.423 3.598 50 5 HHBARN O=C1CCc2cc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])ccc2N1 ZINC000012896963 569020357 /nfs/dbraw/zinc/02/03/57/569020357.db2.gz KZMLIEHDPUWVPL-UHFFFAOYSA-N 0 0 416.333 3.565 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012917136 569022475 /nfs/dbraw/zinc/02/24/75/569022475.db2.gz GAKWUEOIRZDKSZ-LJQANCHMSA-N 0 0 400.481 3.993 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nccc(C(F)(F)F)n1 ZINC000026476964 569032089 /nfs/dbraw/zinc/03/20/89/569032089.db2.gz WHPGJDJMLMTEHL-MRVPVSSYSA-N 0 0 402.354 3.532 50 5 HHBARN COc1ccc(NC(=O)[C@@H](C)Sc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000026482112 569032305 /nfs/dbraw/zinc/03/23/05/569032305.db2.gz KXTIBZKBTZVIEX-MRVPVSSYSA-N 0 0 402.354 3.532 50 5 HHBARN Cc1ccc(NC(=O)CCN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000035549241 569043666 /nfs/dbraw/zinc/04/36/66/569043666.db2.gz DOPIUADZGJYBHB-SFQUDFHCSA-N 0 0 411.439 3.968 50 5 HHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000013006570 569049744 /nfs/dbraw/zinc/04/97/44/569049744.db2.gz GKOPWPSUUWULTA-IBGZPJMESA-N 0 0 400.481 3.993 50 5 HHBARN CCCNC(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1 ZINC000035709690 569053028 /nfs/dbraw/zinc/05/30/28/569053028.db2.gz RPZBOBUHFJWIJI-UHFFFAOYSA-N 0 0 411.462 3.979 50 5 HHBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000001792938 569053199 /nfs/dbraw/zinc/05/31/99/569053199.db2.gz LANOCIVHYZLHRY-UHFFFAOYSA-N 0 0 411.442 3.667 50 5 HHBARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc1c32 ZINC000001838587 569056346 /nfs/dbraw/zinc/05/63/46/569056346.db2.gz BKYOASXLDTUDIG-BQYQJAHWSA-N 0 0 418.405 3.938 50 5 HHBARN COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1[N+](=O)[O-] ZINC000001848672 569056552 /nfs/dbraw/zinc/05/65/52/569056552.db2.gz OUZUBCFFVAMLHI-SDQBBNPISA-N 0 0 403.734 3.510 50 5 HHBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl ZINC000001892003 569057027 /nfs/dbraw/zinc/05/70/27/569057027.db2.gz IZAKADJYFWNFHM-UHFFFAOYSA-N 0 0 423.859 3.790 50 5 HHBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nncs1)C3=O ZINC000001889708 569057041 /nfs/dbraw/zinc/05/70/41/569057041.db2.gz KSQVSEWLFCYZJW-MRXNPFEDSA-N 0 0 420.406 3.611 50 5 HHBARN COc1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000006490594 569059845 /nfs/dbraw/zinc/05/98/45/569059845.db2.gz ZOKXCOQZLSRQAV-UHFFFAOYSA-N 0 0 402.457 3.853 50 5 HHBARN Cc1nn(C)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1[N+](=O)[O-] ZINC000006526076 569063176 /nfs/dbraw/zinc/06/31/76/569063176.db2.gz ROKYWJRPDASYIU-UHFFFAOYSA-N 0 0 401.492 3.813 50 5 HHBARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000002064381 569072947 /nfs/dbraw/zinc/07/29/47/569072947.db2.gz AYTNDCKLLCUTFC-UHFFFAOYSA-N 0 0 414.468 3.854 50 5 HHBARN CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169681764 569127696 /nfs/dbraw/zinc/12/76/96/569127696.db2.gz LUOXSGLTQMSGSD-GMAHTHKFSA-N 0 0 422.529 3.625 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000169685016 569132783 /nfs/dbraw/zinc/13/27/83/569132783.db2.gz FKTXAJQBICUBOF-PCCBWWKXSA-N 0 0 415.405 3.646 50 5 HHBARN CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000006835760 569149040 /nfs/dbraw/zinc/14/90/40/569149040.db2.gz HRJKPCPEDQXUAQ-UHFFFAOYSA-N 0 0 413.455 3.728 50 5 HHBARN Cc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000006844754 569153578 /nfs/dbraw/zinc/15/35/78/569153578.db2.gz RGTWMAKFMMCMLH-UHFFFAOYSA-N 0 0 404.806 3.701 50 5 HHBARN COc1ccccc1-c1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(=S)n1C ZINC000036398051 569171249 /nfs/dbraw/zinc/17/12/49/569171249.db2.gz HIGHRLRPHSLXLQ-ZDUSSCGKSA-N 0 0 411.487 3.944 50 5 HHBARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000007057893 569212970 /nfs/dbraw/zinc/21/29/70/569212970.db2.gz UJQZYVUZGKDJAF-UHFFFAOYSA-N 0 0 417.487 3.800 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000007306948 569232979 /nfs/dbraw/zinc/23/29/79/569232979.db2.gz NCCUZEUKJDHHSJ-ZDUSSCGKSA-N 0 0 403.485 3.773 50 5 HHBARN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000170599733 569242805 /nfs/dbraw/zinc/24/28/05/569242805.db2.gz RIMMFJNLNBAKMV-CCKFTAQKSA-N 0 0 418.490 3.936 50 5 HHBARN CN(C)c1noc([C@@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)n1 ZINC000170601946 569243455 /nfs/dbraw/zinc/24/34/55/569243455.db2.gz YBDUMGSHHFCHJI-QGZVFWFLSA-N 0 0 421.457 3.659 50 5 HHBARN Cc1ccc(NC(=O)[C@H](OC(=O)c2cnc(C)cn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007536770 569247230 /nfs/dbraw/zinc/24/72/30/569247230.db2.gz RBNKYSYDAJPSFH-LJQANCHMSA-N 0 0 406.398 3.538 50 5 HHBARN O=c1c2cnn(-c3ccccc3)c2nc(C(F)(F)F)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000089857555 569267149 /nfs/dbraw/zinc/26/71/49/569267149.db2.gz HPCIKGBPYUISKF-UHFFFAOYSA-N 0 0 415.331 3.558 50 5 HHBARN O=C(/C=C/c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000017088509 569274389 /nfs/dbraw/zinc/27/43/89/569274389.db2.gz KHKQWHTWHYGFNL-VQHVLOKHSA-N 0 0 410.474 3.540 50 5 HHBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000007872235 569314966 /nfs/dbraw/zinc/31/49/66/569314966.db2.gz SSQMEUJFWZEERH-UHFFFAOYSA-N 0 0 417.487 3.639 50 5 HHBARN CCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C[C@@H]1CCCO1)c2=O ZINC000002257709 569324908 /nfs/dbraw/zinc/32/49/08/569324908.db2.gz KQYHCFXNBFFNOO-INIZCTEOSA-N 0 0 405.502 3.972 50 5 HHBARN COc1cccc(NC(=O)Nc2nnc(COc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000002300851 569372081 /nfs/dbraw/zinc/37/20/81/569372081.db2.gz ICMDCOACUCJNGY-UHFFFAOYSA-N 0 0 401.404 3.678 50 5 HHBARN CN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000012788863 569403404 /nfs/dbraw/zinc/40/34/04/569403404.db2.gz FOLRFEDHRKEBJM-LJQANCHMSA-N 0 0 411.458 3.556 50 5 HHBARN CCOc1cc2c(cc1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000012981176 569405731 /nfs/dbraw/zinc/40/57/31/569405731.db2.gz PPRPNWPZAVWAJX-GFCCVEGCSA-N 0 0 402.472 3.969 50 5 HHBARN CCOC(=O)c1cc(Cl)c(OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(Cl)c1 ZINC000012985560 569405829 /nfs/dbraw/zinc/40/58/29/569405829.db2.gz JKGVLZFYZJRQKB-UHFFFAOYSA-N 0 0 413.213 3.756 50 5 HHBARN O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013000844 569406331 /nfs/dbraw/zinc/40/63/31/569406331.db2.gz ATUJGADMPOQFLM-JNCPLXCYSA-N 0 0 412.486 3.845 50 5 HHBARN CSc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000013149794 569410062 /nfs/dbraw/zinc/41/00/62/569410062.db2.gz QPFRLILRJLDANN-UHFFFAOYSA-N 0 0 401.473 3.849 50 5 HHBARN Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000078968456 569422342 /nfs/dbraw/zinc/42/23/42/569422342.db2.gz SMWRDIUCFWJDGN-NHYWBVRUSA-N 0 0 416.425 3.846 50 5 HHBARN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000008560838 571081173 /nfs/dbraw/zinc/08/11/73/571081173.db2.gz YVDSIVFBAVEOKL-UHFFFAOYSA-N 0 0 400.807 3.667 50 5 HHBARN CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000008683398 571101250 /nfs/dbraw/zinc/10/12/50/571101250.db2.gz RCVHDOCJQYSEPU-INIZCTEOSA-N 0 0 415.431 3.604 50 5 aggregator HHBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c[nH]nc1-c1ccccc1 ZINC000008710132 571104743 /nfs/dbraw/zinc/10/47/43/571104743.db2.gz FRTOGOJMRGCLFN-UHFFFAOYSA-N 0 0 419.363 3.846 50 5 HHBARN C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000040081302 571156002 /nfs/dbraw/zinc/15/60/02/571156002.db2.gz GBSUAXYGOLFQOM-GVDBMIGSSA-N 0 0 412.490 3.566 50 5 HHBARN CN(C)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000040081826 571156218 /nfs/dbraw/zinc/15/62/18/571156218.db2.gz AIUMIDQSTBIHLQ-LJQANCHMSA-N 0 0 419.485 3.713 50 5 HHBARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000040115881 571173625 /nfs/dbraw/zinc/17/36/25/571173625.db2.gz WYTGWAZWQBAHCD-RBUKOAKNSA-N 0 0 410.861 3.816 50 5 HHBARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000040115879 571173750 /nfs/dbraw/zinc/17/37/50/571173750.db2.gz WYTGWAZWQBAHCD-RTBURBONSA-N 0 0 410.861 3.816 50 5 HHBARN COc1cc(OC)cc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000040123005 571178773 /nfs/dbraw/zinc/17/87/73/571178773.db2.gz REMJXTGOPYXXJX-UHFFFAOYSA-N 0 0 403.416 3.833 50 5 HHBARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000040130857 571182885 /nfs/dbraw/zinc/18/28/85/571182885.db2.gz UWUSWKKBKRQHEJ-UHFFFAOYSA-N 0 0 400.416 3.695 50 5 HHBARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000040141010 571192333 /nfs/dbraw/zinc/19/23/33/571192333.db2.gz DBBGYDUQTDLBMA-STQMWFEESA-N 0 0 423.516 3.860 50 5 HHBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)C3=O ZINC000009185102 571234884 /nfs/dbraw/zinc/23/48/84/571234884.db2.gz ARHBPXGVYLFKOK-UZLBHIALSA-N 0 0 420.421 3.734 50 5 HHBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C3=O ZINC000009209873 571236865 /nfs/dbraw/zinc/23/68/65/571236865.db2.gz PIAHEMXTGXBBPT-OXJNMPFZSA-N 0 0 420.421 3.734 50 5 HHBARN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCCCC1 ZINC000009295459 571245828 /nfs/dbraw/zinc/24/58/28/571245828.db2.gz RJZODDNBQVDMQZ-CSKARUKUSA-N 0 0 415.446 3.852 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000009353587 571250696 /nfs/dbraw/zinc/25/06/96/571250696.db2.gz UXPXACRHAUOCOU-GDBMZVCRSA-N 0 0 420.208 3.503 50 5 HHBARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)C[S@@](=O)C3)c1C ZINC000009413784 571256115 /nfs/dbraw/zinc/25/61/15/571256115.db2.gz RSDVMLYGQPJDEX-PMERELPUSA-N 0 0 424.482 3.720 50 5 HHBARN COc1ccc(-c2nnn(Cc3cc(=O)oc4ccc5ccccc5c34)n2)cc1OC ZINC000009453752 571260125 /nfs/dbraw/zinc/26/01/25/571260125.db2.gz MZJNJNQXHNGUKV-UHFFFAOYSA-N 0 0 414.421 3.665 50 5 HHBARN O=C(Cc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000009667699 571278205 /nfs/dbraw/zinc/27/82/05/571278205.db2.gz MRDIFGBRQJDGNM-UHFFFAOYSA-N 0 0 403.398 3.941 50 5 HHBARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1)OCCO3 ZINC000009979291 571293431 /nfs/dbraw/zinc/29/34/31/571293431.db2.gz HPBJHOYDHGULFS-AWEZNQCLSA-N 0 0 423.469 3.977 50 5 HHBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000009109710 571310073 /nfs/dbraw/zinc/31/00/73/571310073.db2.gz IWBIYQPBDSAKRM-UHFFFAOYSA-N 0 0 411.848 3.514 50 5 HHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc(Br)cc1 ZINC000003246939 960479150 /nfs/dbraw/zinc/47/91/50/960479150.db2.gz KUUBUBVRMRLGHO-XCVCLJGOSA-N 0 0 405.204 3.552 50 5 HHBARN Cc1nc(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc1-c1ccccn1 ZINC000012552839 962292240 /nfs/dbraw/zinc/29/22/40/962292240.db2.gz JVZNUZHZTUMRDV-AATRIKPKSA-N 0 0 410.411 3.802 50 5 HHBARN O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000004333971 132275682 /nfs/dbraw/zinc/27/56/82/132275682.db2.gz ZHKYFABMIZSJPM-UHFFFAOYSA-N 0 0 400.866 3.785 50 5 HHBARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004614221 132280126 /nfs/dbraw/zinc/28/01/26/132280126.db2.gz DRQJVVICKROGQM-OAHLLOKOSA-N 0 0 403.866 3.673 50 5 HHBARN CCN(CC)c1cc(N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000004702001 132283866 /nfs/dbraw/zinc/28/38/66/132283866.db2.gz RZUFPVDSTPPBIL-UHFFFAOYSA-N 0 0 400.454 3.543 50 5 HHBARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004900842 132292207 /nfs/dbraw/zinc/29/22/07/132292207.db2.gz JSPGKVKFCXUEQS-UHFFFAOYSA-N 0 0 424.501 3.850 50 5 HHBARN Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000005029574 132298932 /nfs/dbraw/zinc/29/89/32/132298932.db2.gz JOPMGMFCEKXVQY-UHFFFAOYSA-N 0 0 410.522 3.807 50 5 HHBARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000009463815 132340148 /nfs/dbraw/zinc/34/01/48/132340148.db2.gz QGONNPQPIQXJDN-UHFFFAOYSA-N 0 0 424.240 3.593 50 5 HHBARN O=[N+]([O-])c1ccccc1N1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000012643855 132365665 /nfs/dbraw/zinc/36/56/65/132365665.db2.gz MIRPTRHBRIZMID-UHFFFAOYSA-N 0 0 412.453 3.927 50 5 HHBARN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000849411 520916636 /nfs/dbraw/zinc/91/66/36/520916636.db2.gz ABZBMHSMSFORDM-UHFFFAOYSA-N 0 0 405.838 3.736 50 5 HHBARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000677494 521414003 /nfs/dbraw/zinc/41/40/03/521414003.db2.gz HHSDIMUWWWBTHY-UHFFFAOYSA-N 0 0 404.444 3.973 50 5 HHBARN COc1cccc(-c2noc(CCN(CC(C)C)C(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000035537866 525736443 /nfs/dbraw/zinc/73/64/43/525736443.db2.gz SAKNICDRQFNSON-UHFFFAOYSA-N 0 0 424.457 3.994 50 5 HHBARN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032373681 526492055 /nfs/dbraw/zinc/49/20/55/526492055.db2.gz LNCRQHHLPZPEAX-SFHVURJKSA-N 0 0 424.284 3.705 50 5 HHBARN COc1ccc2c(c1)oc1nc(-c3ccccc3)n(Cc3ccco3)c(=O)c1c2=O ZINC000002327895 557695427 /nfs/dbraw/zinc/69/54/27/557695427.db2.gz HFKHINWEIVVDMT-UHFFFAOYSA-N 0 0 400.390 3.820 50 5 HHBARN COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccco2)cc1 ZINC000002361982 557698053 /nfs/dbraw/zinc/69/80/53/557698053.db2.gz SBTKNBBLUFSKBO-UHFFFAOYSA-N 0 0 413.433 3.565 50 5 HHBARN O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000007078028 557734709 /nfs/dbraw/zinc/73/47/09/557734709.db2.gz RFAUSYIMHODMMA-UHFFFAOYSA-N 0 0 401.271 3.874 50 5 HHBARN CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCC(C)CC3)c([O-])n2n1 ZINC000022853322 557839932 /nfs/dbraw/zinc/83/99/32/557839932.db2.gz KZXPZDYKJFVUFB-MRXNPFEDSA-N 0 0 401.492 3.788 50 5 HHBARN COc1cc(NC(=O)COC(=O)c2ccc(OCC(C)C)cc2)c(C)cc1[N+](=O)[O-] ZINC000004332892 558263426 /nfs/dbraw/zinc/26/34/26/558263426.db2.gz GQKGZCSOQLKUAB-UHFFFAOYSA-N 0 0 416.430 3.742 50 5 HHBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c(=O)oc21 ZINC000004393779 558486288 /nfs/dbraw/zinc/48/62/88/558486288.db2.gz VBVSWTNTQURHAB-UHFFFAOYSA-N 0 0 412.442 3.656 50 5 HHBARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000004492053 558607984 /nfs/dbraw/zinc/60/79/84/558607984.db2.gz AJFAFMACKFUGBN-UHFFFAOYSA-N 0 0 411.867 3.531 50 5 HHBARN CCOC(=O)C1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000004545809 558662251 /nfs/dbraw/zinc/66/22/51/558662251.db2.gz VFSLCOSMIHMTRW-LTGZKZEYSA-N 0 0 408.454 3.937 50 5 HHBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073743 558747695 /nfs/dbraw/zinc/74/76/95/558747695.db2.gz RMRWOZRIZSPQNT-OAHLLOKOSA-N 0 0 418.453 3.510 50 5 HHBARN Cn1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(-c2ccncc2)n1 ZINC000072306422 558765588 /nfs/dbraw/zinc/76/55/88/558765588.db2.gz LVAZVBDHTWBGLY-UHFFFAOYSA-N 0 0 409.449 3.589 50 5 HHBARN CCCC[C@H](CC)CNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O ZINC000004603634 558847133 /nfs/dbraw/zinc/84/71/33/558847133.db2.gz GVMYTNRWXPBXAH-OXJNMPFZSA-N 0 0 413.474 3.513 50 5 HHBARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004651968 558868744 /nfs/dbraw/zinc/86/87/44/558868744.db2.gz PDQGNVDBOJFNAD-UHFFFAOYSA-N 0 0 423.473 3.736 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000004704199 558906630 /nfs/dbraw/zinc/90/66/30/558906630.db2.gz XXZODCRTVHCVCE-KRWDZBQOSA-N 0 0 410.821 3.767 50 5 HHBARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004715815 558914520 /nfs/dbraw/zinc/91/45/20/558914520.db2.gz OIFGDCZYGQDBGD-UHFFFAOYSA-N 0 0 411.487 3.836 50 5 HHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 ZINC000004724048 558922991 /nfs/dbraw/zinc/92/29/91/558922991.db2.gz RYRVRRXLUNKDRQ-KRWDZBQOSA-N 0 0 410.821 3.767 50 5 HHBARN Cc1c(C(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000023106407 559010067 /nfs/dbraw/zinc/01/00/67/559010067.db2.gz NHEWYOSGJGIWRI-QHCPKHFHSA-N 0 0 419.481 3.860 50 5 HHBARN O=[N+]([O-])c1ccc([C@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000033353687 559066683 /nfs/dbraw/zinc/06/66/83/559066683.db2.gz RMOUWVCHCMBBMC-CYBMUJFWSA-N 0 0 416.268 3.576 50 5 HHBARN C[C@@H](OC[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000023389750 559173520 /nfs/dbraw/zinc/17/35/20/559173520.db2.gz BVVGIYYPRHOYME-APWZRJJASA-N 0 0 419.909 3.509 50 5 HHBARN CCCCOc1ccc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000004932516 559209615 /nfs/dbraw/zinc/20/96/15/559209615.db2.gz WANXULQZRRJQTD-UHFFFAOYSA-N 0 0 416.430 3.886 50 5 HHBARN O=C(NCc1ccccc1)/C(=C\c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 ZINC000004996564 559225152 /nfs/dbraw/zinc/22/51/52/559225152.db2.gz ZQGVUXCENCFYJA-HMMYKYKNSA-N 0 0 401.422 3.682 50 5 HHBARN O=[N+]([O-])c1cccc(Cl)c1NCCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000005101904 559245620 /nfs/dbraw/zinc/24/56/20/559245620.db2.gz ULDYZBAMXOCYKW-UHFFFAOYSA-N 0 0 404.275 3.682 50 5 HHBARN COc1cc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc(OC)c1OC ZINC000011726692 559255828 /nfs/dbraw/zinc/25/58/28/559255828.db2.gz BLBOPSGPEDYIFC-UHFFFAOYSA-N 0 0 420.421 3.928 50 5 HHBARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000005198315 559292151 /nfs/dbraw/zinc/29/21/51/559292151.db2.gz DHOXQVKPYSEIGW-UHFFFAOYSA-N 0 0 414.421 3.972 50 5 HHBARN O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005506090 560598943 /nfs/dbraw/zinc/59/89/43/560598943.db2.gz XBXATHBOHNOJRP-UHFFFAOYSA-N 0 0 405.140 3.975 50 5 HHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005508623 560599953 /nfs/dbraw/zinc/59/99/53/560599953.db2.gz HJLLUOPPBDKALB-KZULUSFZSA-N 0 0 402.834 3.987 50 5 HHBARN Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000018157416 560780423 /nfs/dbraw/zinc/78/04/23/560780423.db2.gz JBMIKBMQMILMBP-UHFFFAOYSA-N 0 0 413.437 3.960 50 5 HHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000048355557 568441481 /nfs/dbraw/zinc/44/14/81/568441481.db2.gz GJANBYUYIKIQIC-CYBMUJFWSA-N 0 0 400.435 3.717 50 5 HHBARN CC[C@@H](C)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000000635589 568456351 /nfs/dbraw/zinc/45/63/51/568456351.db2.gz UHUILKIIRLLYKW-CRAIPNDOSA-N 0 0 424.453 3.887 50 5 HHBARN Cc1nn(Cc2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)o2)c(C)c1[N+](=O)[O-] ZINC000000652537 568457643 /nfs/dbraw/zinc/45/76/43/568457643.db2.gz YLOIJOXJIBMKOS-UHFFFAOYSA-N 0 0 420.429 3.547 50 5 HHBARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000000669890 568460116 /nfs/dbraw/zinc/46/01/16/568460116.db2.gz KBBCRRQUQOZPLF-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN CCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000714619 568464684 /nfs/dbraw/zinc/46/46/84/568464684.db2.gz DJIHXHYPPBWYFO-IBGZPJMESA-N 0 0 421.375 3.696 50 5 HHBARN CCOC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000000729794 568466196 /nfs/dbraw/zinc/46/61/96/568466196.db2.gz RTCDIRLLSLYDQO-UHFFFAOYSA-N 0 0 404.444 3.729 50 5 HHBARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000024943357 568494458 /nfs/dbraw/zinc/49/44/58/568494458.db2.gz XDYQTHVNOZBYOH-UHFFFAOYSA-N 0 0 400.822 3.536 50 5 HHBARN CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000000844881 568529858 /nfs/dbraw/zinc/52/98/58/568529858.db2.gz DQMVAMQKBJAZGV-UHFFFAOYSA-N 0 0 414.373 3.829 50 5 HHBARN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2cncc(F)c2)CC1 ZINC000095468716 568625233 /nfs/dbraw/zinc/62/52/33/568625233.db2.gz YSERJTCJIIFLMB-UHFFFAOYSA-N 0 0 411.842 3.569 50 5 HHBARN O=[N+]([O-])c1ccc(N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000096011401 568684012 /nfs/dbraw/zinc/68/40/12/568684012.db2.gz POLCVAMYKGJKKR-AWEZNQCLSA-N 0 0 408.296 3.841 50 5 HHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000000864613 568713628 /nfs/dbraw/zinc/71/36/28/568713628.db2.gz RMDHEHSEZMEUKX-UHFFFAOYSA-N 0 0 419.368 3.634 50 5 HHBARN CC(C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)Cc1ccc(F)cc1 ZINC000096290216 568720059 /nfs/dbraw/zinc/72/00/59/568720059.db2.gz CDJZQXKTYHKGDZ-UHFFFAOYSA-N 0 0 412.421 3.806 50 5 HHBARN CN(C)c1oc(-c2cccc([N+](=O)[O-])c2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000865464 568722785 /nfs/dbraw/zinc/72/27/85/568722785.db2.gz MRQPSHPYESOQEV-UHFFFAOYSA-N 0 0 407.835 3.802 50 5 HHBARN O=C(Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O)Nc1ccccc1 ZINC000000951902 568757227 /nfs/dbraw/zinc/75/72/27/568757227.db2.gz ZBVRWQKECKZNQA-UHFFFAOYSA-N 0 0 406.423 3.672 50 5 HHBARN Cn1c(Sc2ccc(C(=O)c3ccncc3)cc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000001058671 568765099 /nfs/dbraw/zinc/76/50/99/568765099.db2.gz FBRDJWVQYQBJDE-UHFFFAOYSA-N 0 0 418.434 3.619 50 5 HHBARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000001148915 568772741 /nfs/dbraw/zinc/77/27/41/568772741.db2.gz SCNFYWBMGACKGJ-UHFFFAOYSA-N 0 0 406.851 3.724 50 5 HHBARN O=C(NC(=S)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001131101 568773155 /nfs/dbraw/zinc/77/31/55/568773155.db2.gz VCUMQBWUEULJNT-UHFFFAOYSA-N 0 0 420.450 3.974 50 5 HHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000001136784 568773518 /nfs/dbraw/zinc/77/35/18/568773518.db2.gz XMWVFBNQJOYZLH-UHFFFAOYSA-N 0 0 402.362 3.752 50 5 HHBARN O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000001155307 568774238 /nfs/dbraw/zinc/77/42/38/568774238.db2.gz KFFXKXIUYISEFM-ZRDDSIGQSA-N 0 0 402.450 3.600 50 5 HHBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC(=O)c2ccccc2)cc1 ZINC000001165165 568775695 /nfs/dbraw/zinc/77/56/95/568775695.db2.gz AGZWXWHYXIQWSN-UHFFFAOYSA-N 0 0 405.362 3.854 50 5 HHBARN CCCOc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000002664606 568800046 /nfs/dbraw/zinc/80/00/46/568800046.db2.gz UWBXVXPHWLQXPI-UHFFFAOYSA-N 0 0 403.387 3.616 50 5 HHBARN O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(Br)c2cccnc12 ZINC000002731487 568804350 /nfs/dbraw/zinc/80/43/50/568804350.db2.gz BMTFIGHIAYVUCT-UHFFFAOYSA-N 0 0 424.642 3.784 50 5 HHBARN CC(=O)Nc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000002796450 568809471 /nfs/dbraw/zinc/80/94/71/568809471.db2.gz ZCEADYUQOSPEES-UHFFFAOYSA-N 0 0 407.430 3.667 50 5 HHBARN CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002833250 568812386 /nfs/dbraw/zinc/81/23/86/568812386.db2.gz BHYCGXGAIIJJPF-UHFFFAOYSA-N 0 0 411.867 3.579 50 5 HHBARN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1[N+](=O)[O-] ZINC000002845816 568812864 /nfs/dbraw/zinc/81/28/64/568812864.db2.gz WQDRDNPGRIJELP-UHFFFAOYSA-N 0 0 403.460 3.675 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000001196492 568822724 /nfs/dbraw/zinc/82/27/24/568822724.db2.gz CLTOCKBOKYYFOW-UHFFFAOYSA-N 0 0 415.402 3.787 50 5 HHBARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001218147 568824919 /nfs/dbraw/zinc/82/49/19/568824919.db2.gz QMDSURCEVKEOBB-QGZVFWFLSA-N 0 0 400.822 3.823 50 5 HHBARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000005862217 568826475 /nfs/dbraw/zinc/82/64/75/568826475.db2.gz YBXIMSUDUZZIGS-BBRMVZONSA-N 0 0 418.475 3.639 50 5 HHBARN COc1cc(NC(=O)COC(=O)CCSc2ccc(C)cc2)c(C)cc1[N+](=O)[O-] ZINC000005867592 568826961 /nfs/dbraw/zinc/82/69/61/568826961.db2.gz LASKFQUHPOZIBF-UHFFFAOYSA-N 0 0 418.471 3.884 50 5 HHBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1I ZINC000012526801 568843440 /nfs/dbraw/zinc/84/34/40/568843440.db2.gz ZLUMMCRALHPVPV-UHFFFAOYSA-N 0 0 411.199 3.640 50 5 HHBARN Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n(C[C@H]2CCCO2)c1C ZINC000012535258 568845086 /nfs/dbraw/zinc/84/50/86/568845086.db2.gz TWSAFYCGFRCCNR-MRXNPFEDSA-N 0 0 404.492 3.626 50 5 HHBARN Cc1cc(C)n2nc(Sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])nc2n1 ZINC000003119872 568856056 /nfs/dbraw/zinc/85/60/56/568856056.db2.gz VCFOTLSGRFFEMV-UHFFFAOYSA-N 0 0 414.325 3.728 50 5 HHBARN O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000012559790 568857274 /nfs/dbraw/zinc/85/72/74/568857274.db2.gz ZSENHQJYGVCYDM-UHFFFAOYSA-N 0 0 421.291 3.960 50 5 HHBARN O=C(CSc1cc(Cl)ccc1Cl)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003241431 568866391 /nfs/dbraw/zinc/86/63/91/568866391.db2.gz WNPAUUYXTHQDQY-AWEZNQCLSA-N 0 0 401.271 3.844 50 5 HHBARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000003253785 568868092 /nfs/dbraw/zinc/86/80/92/568868092.db2.gz NZQVGLUHEVZTGG-ZDUSSCGKSA-N 0 0 414.414 3.690 50 5 HHBARN CCOC(=O)c1ccc(N2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)nc1 ZINC000058023382 568877899 /nfs/dbraw/zinc/87/78/99/568877899.db2.gz LAGATQNKQSXQCN-UHFFFAOYSA-N 0 0 404.854 3.537 50 5 HHBARN CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000015391742 568885238 /nfs/dbraw/zinc/88/52/38/568885238.db2.gz HXNJHMNIUSWTLS-WBMJQRKESA-N 0 0 401.492 3.788 50 5 HHBARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003519526 568911903 /nfs/dbraw/zinc/91/19/03/568911903.db2.gz WHXMRVQJNPTTFR-UHFFFAOYSA-N 0 0 423.425 3.680 50 5 HHBARN COc1cc(C(=O)OCc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1OC(F)F ZINC000031170517 568916819 /nfs/dbraw/zinc/91/68/19/568916819.db2.gz QUKPFHJMNPKVHW-UHFFFAOYSA-N 0 0 407.329 3.518 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000058423368 568917994 /nfs/dbraw/zinc/91/79/94/568917994.db2.gz CKBIABQOZOQZGP-UHFFFAOYSA-N 0 0 414.315 3.988 50 5 HHBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000003611962 568920093 /nfs/dbraw/zinc/92/00/93/568920093.db2.gz DEBLEFDSBQBPRD-UHFFFAOYSA-N 0 0 407.814 3.919 50 5 HHBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 ZINC000003615298 568920202 /nfs/dbraw/zinc/92/02/02/568920202.db2.gz ARKGIXFEAKEBKG-UHFFFAOYSA-N 0 0 403.438 3.621 50 5 HHBARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000025836124 568922358 /nfs/dbraw/zinc/92/23/58/568922358.db2.gz PGRYVUOQGJFYIO-HNNXBMFYSA-N 0 0 406.442 3.800 50 5 HHBARN O=C([C@H]1CC(c2ccccc2)=NO1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000059253206 568947858 /nfs/dbraw/zinc/94/78/58/568947858.db2.gz NGZQIPVIRYCLIO-QGZVFWFLSA-N 0 0 407.348 3.679 50 5 HHBARN CCOC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001467219 568991331 /nfs/dbraw/zinc/99/13/31/568991331.db2.gz SGHSJTIUQGWTGJ-GOSISDBHSA-N 0 0 405.414 3.705 50 5 HHBARN Cc1cc(=O)c(C(=O)OCc2cccc3ccccc32)nn1-c1ccccc1[N+](=O)[O-] ZINC000006084358 568996957 /nfs/dbraw/zinc/99/69/57/568996957.db2.gz UXFFFVRLNMRMJN-UHFFFAOYSA-N 0 0 415.405 3.959 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012879377 569014256 /nfs/dbraw/zinc/01/42/56/569014256.db2.gz YKIDKPRGMJDBFT-QGZVFWFLSA-N 0 0 410.474 3.501 50 5 HHBARN Cc1cc2c(nc3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n23)c(C)c1 ZINC000006183452 569025694 /nfs/dbraw/zinc/02/56/94/569025694.db2.gz KGCWOQUUWJHVST-XDHOZWIPSA-N 0 0 416.462 3.773 50 5 HHBARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000012984672 569047688 /nfs/dbraw/zinc/04/76/88/569047688.db2.gz IOKBZCKWBXQMCY-SFHVURJKSA-N 0 0 417.531 3.757 50 5 HHBARN O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000064851690 569108743 /nfs/dbraw/zinc/10/87/43/569108743.db2.gz PIXQIDPETCTOMD-UHFFFAOYSA-N 0 0 413.449 3.770 50 5 HHBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000036331908 569139448 /nfs/dbraw/zinc/13/94/48/569139448.db2.gz ZXABMUGOSSOPLJ-AYPBNUJASA-N 0 0 417.421 3.564 50 5 HHBARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000036397675 569165206 /nfs/dbraw/zinc/16/52/06/569165206.db2.gz ZUMUEVNCHRUIKY-JLHYYAGUSA-N 0 0 418.453 3.810 50 5 HHBARN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000006882629 569166747 /nfs/dbraw/zinc/16/67/47/569166747.db2.gz NREAEXBLMZODMU-UHFFFAOYSA-N 0 0 400.807 3.667 50 5 HHBARN CC(C)(C)OC(=O)NC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000170614918 569247255 /nfs/dbraw/zinc/24/72/55/569247255.db2.gz ACRAJDKTNXFECX-SFHVURJKSA-N 0 0 405.495 3.727 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000170620710 569248836 /nfs/dbraw/zinc/24/88/36/569248836.db2.gz DKUPHKMYSNNQSX-GBESFXJTSA-N 0 0 421.434 3.707 50 5 HHBARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3ccc([N+](=O)[O-])n3)n2)c1 ZINC000017083146 569272947 /nfs/dbraw/zinc/27/29/47/569272947.db2.gz SHGKQGKJJSYVNX-UHFFFAOYSA-N 0 0 405.414 3.845 50 5 HHBARN CSc1ccccc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 ZINC000017136225 569275181 /nfs/dbraw/zinc/27/51/81/569275181.db2.gz DSQOUHGKDHUNHE-LWYUSKRHSA-N 0 0 413.503 3.842 50 5 HHBARN O=C(CCn1c(=O)oc2ccccc21)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000007621376 569297548 /nfs/dbraw/zinc/29/75/48/569297548.db2.gz MTYWBJGDTOFHIY-UHFFFAOYSA-N 0 0 415.401 3.988 50 5 HHBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000007641982 569298326 /nfs/dbraw/zinc/29/83/26/569298326.db2.gz UFVGWGVBTSCFNS-UHFFFAOYSA-N 0 0 414.418 3.616 50 5 HHBARN C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037520519 569302695 /nfs/dbraw/zinc/30/26/95/569302695.db2.gz QGVKOHGNUJBEIO-LLVKDONJSA-N 0 0 408.241 3.779 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1 ZINC000252670153 569319246 /nfs/dbraw/zinc/31/92/46/569319246.db2.gz JSWDFTRDLPNICR-UHFFFAOYSA-N 0 0 403.419 3.934 50 5 HHBARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 ZINC000007909551 569321317 /nfs/dbraw/zinc/32/13/17/569321317.db2.gz JWLBDBGASLCXMR-UHFFFAOYSA-N 0 0 408.483 3.989 50 5 HHBARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])cc1)COC(C)(C)C2 ZINC000002260664 569325178 /nfs/dbraw/zinc/32/51/78/569325178.db2.gz QTCXJTYGHMGCTK-UHFFFAOYSA-N 0 0 404.444 3.937 50 5 HHBARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000012273866 569399999 /nfs/dbraw/zinc/39/99/99/569399999.db2.gz YQKUOKXSDURVGN-UHFFFAOYSA-N 0 0 418.866 3.572 50 5 HHBARN Cc1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc2c1cnn2C1CCCC1 ZINC000012505399 569401630 /nfs/dbraw/zinc/40/16/30/569401630.db2.gz CLAOCIQWWCBDLO-UHFFFAOYSA-N 0 0 402.432 3.531 50 5 HHBARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 ZINC000018247219 569413984 /nfs/dbraw/zinc/41/39/84/569413984.db2.gz MXMQSSRBPPKJAF-UPRAQXHNSA-N 0 0 408.410 3.740 50 5 HHBARN Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000078968454 569422268 /nfs/dbraw/zinc/42/22/68/569422268.db2.gz SMWRDIUCFWJDGN-IAQYHMDHSA-N 0 0 416.425 3.846 50 5 HHBARN CNS(=O)(=O)c1ccc(N[C@@H](c2cccc(OC)c2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000079023794 569424569 /nfs/dbraw/zinc/42/45/69/569424569.db2.gz PFQUPHOAXZLEHO-SFHVURJKSA-N 0 0 407.492 3.711 50 5 HHBARN CCO[C@@H](O)[C@H]1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000019871507 569432188 /nfs/dbraw/zinc/43/21/88/569432188.db2.gz RJAMVXLGGRZFAI-HVMFNXBNSA-N 0 0 410.392 3.502 50 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FUXCSTKEEOKKIE-UHFFFAOYSA-N 0 0 414.443 3.616 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000002502311 568777281 /nfs/dbraw/zinc/77/72/81/568777281.db2.gz NNYWYRJAFDUXPD-UHFFFAOYSA-N 0 0 403.394 3.517 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1nc2cc(Cl)ccc2s1 ZINC000225694968 568779108 /nfs/dbraw/zinc/77/91/08/568779108.db2.gz YJHZFLBXCDLBQJ-UHFFFAOYSA-N 0 0 413.864 3.692 50 5 HHBARN COc1ccc(OC)c(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=NCCCS2)c1 ZINC000028527510 568786167 /nfs/dbraw/zinc/78/61/67/568786167.db2.gz PAQPGOAQFMNYBF-UHFFFAOYSA-N 0 0 415.471 3.794 50 5 HHBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002646360 568795165 /nfs/dbraw/zinc/79/51/65/568795165.db2.gz CODAPLMLDWQCAT-QGZVFWFLSA-N 0 0 424.457 3.549 50 5 HHBARN Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000002703622 568801747 /nfs/dbraw/zinc/80/17/47/568801747.db2.gz HIVIQHPMTSOPKT-INIZCTEOSA-N 0 0 420.406 3.611 50 5 HHBARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] ZINC000028791185 568807733 /nfs/dbraw/zinc/80/77/33/568807733.db2.gz VWKWUGVJAHDWNL-UHFFFAOYSA-N 0 0 420.443 3.836 50 5 HHBARN CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002796917 568809586 /nfs/dbraw/zinc/80/95/86/568809586.db2.gz PZWNCCSYTPJXKK-UHFFFAOYSA-N 0 0 422.865 3.950 50 5 HHBARN CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1 ZINC000002796883 568809717 /nfs/dbraw/zinc/80/97/17/568809717.db2.gz KDLLBDKKECWSDQ-UHFFFAOYSA-N 0 0 402.447 3.605 50 5 HHBARN CCCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000002856458 568813259 /nfs/dbraw/zinc/81/32/59/568813259.db2.gz ZHBDNIHNLRUFGH-IZZDOVSWSA-N 0 0 413.455 3.688 50 5 HHBARN O=C(NC(=S)N(CCCCO)CCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000002879522 568813854 /nfs/dbraw/zinc/81/38/54/568813854.db2.gz RGZQBLMSYDMMBO-UHFFFAOYSA-N 0 0 405.520 3.575 50 5 HHBARN Cc1nn([C@H](C)C(=O)Nc2c(F)cc(F)cc2Br)c(C)c1[N+](=O)[O-] ZINC000002884892 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C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012531797 568844336 /nfs/dbraw/zinc/84/43/36/568844336.db2.gz SYIDOJABRJROAE-SNVBAGLBSA-N 0 0 418.866 3.558 50 5 HHBARN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3n3c2nc2ccccc2c3=O)cc1 ZINC000003171995 568859525 /nfs/dbraw/zinc/85/95/25/568859525.db2.gz ZQXFLZBENHPKIN-UHFFFAOYSA-N 0 0 416.462 3.505 50 5 HHBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(-c2ccccc2)cc1 ZINC000015322676 568872751 /nfs/dbraw/zinc/87/27/51/568872751.db2.gz ZSGLNWQZXOFQSN-UHFFFAOYSA-N 0 0 406.442 3.717 50 5 HHBARN Cc1csc(N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000003327493 568881439 /nfs/dbraw/zinc/88/14/39/568881439.db2.gz SPELJMMHADSFPK-UHFFFAOYSA-N 0 0 410.455 3.845 50 5 HHBARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003331553 568882162 /nfs/dbraw/zinc/88/21/62/568882162.db2.gz KXPLRBACKQHHEU-HNNXBMFYSA-N 0 0 422.825 3.706 50 5 HHBARN C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003390499 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MZLILZRKRCJZPB-UHFFFAOYSA-N 0 0 418.803 3.840 50 5 HHBARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)o1 ZINC000016724055 569261565 /nfs/dbraw/zinc/26/15/65/569261565.db2.gz SHJZWVOWOSYXKX-UHFFFAOYSA-N 0 0 400.416 3.508 50 5 HHBARN COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1 ZINC000016751427 569262311 /nfs/dbraw/zinc/26/23/11/569262311.db2.gz OVSWCCASRMUASE-UHFFFAOYSA-N 0 0 403.331 3.973 50 5 HHBARN Cc1nn(Cc2c(C)onc2C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000017087785 569273860 /nfs/dbraw/zinc/27/38/60/569273860.db2.gz QCJLVAQTRWEDTG-UHFFFAOYSA-N 0 0 407.789 3.798 50 5 HHBARN CCCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000002101689 569281271 /nfs/dbraw/zinc/28/12/71/569281271.db2.gz GODRPULDMWJCAH-UHFFFAOYSA-N 0 0 406.416 3.570 50 5 HHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000007594389 569287017 /nfs/dbraw/zinc/28/70/17/569287017.db2.gz LZSDONOTMRIUJE-UHFFFAOYSA-N 0 0 401.781 3.850 50 5 HHBARN C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)c1ccc(F)cc1 ZINC000027339198 569293791 /nfs/dbraw/zinc/29/37/91/569293791.db2.gz ORXUPRNOQFYGJZ-HNNXBMFYSA-N 0 0 423.448 3.875 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1C ZINC000007927445 569327401 /nfs/dbraw/zinc/32/74/01/569327401.db2.gz YGPWNWLAZHLKHR-INIZCTEOSA-N 0 0 403.504 3.893 50 5 HHBARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000002320010 569374574 /nfs/dbraw/zinc/37/45/74/569374574.db2.gz IYUQUYOWCOESAH-UHFFFAOYSA-N 0 0 418.203 3.878 50 5 HHBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000009111555 569391602 /nfs/dbraw/zinc/39/16/02/569391602.db2.gz ULCMPMYCEZEQRT-UHFFFAOYSA-N 0 0 411.848 3.514 50 5 HHBARN Cc1ccc(NC2=N[C@H](c3cc([N+](=O)[O-])ccc3Cl)n3c(=O)cc(C)nc3N2)cc1 ZINC000009239906 569391946 /nfs/dbraw/zinc/39/19/46/569391946.db2.gz ZNFXKQANUFAEEG-SFHVURJKSA-N 0 0 424.848 3.862 50 5 HHBARN 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Cc1nc2ccccc2nc1COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032950527 527172372 /nfs/dbraw/zinc/17/23/72/527172372.db2.gz ZKDHAXGYPVXIDV-UHFFFAOYSA-N 0 0 406.442 3.806 50 5 HHBARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032928187 527200667 /nfs/dbraw/zinc/20/06/67/527200667.db2.gz UOXSKRAYRZMLSL-UHFFFAOYSA-N 0 0 420.828 3.814 50 5 HHBARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000002979345 536734285 /nfs/dbraw/zinc/73/42/85/536734285.db2.gz YNLBYABAETZEHN-UHFFFAOYSA-N 0 0 414.487 3.721 50 5 HHBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001750471 557284804 /nfs/dbraw/zinc/28/48/04/557284804.db2.gz LQUFZSDMIZVXCY-UHFFFAOYSA-N 0 0 406.306 3.982 50 5 HHBARN COc1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000010680652 558349881 /nfs/dbraw/zinc/34/98/81/558349881.db2.gz OQDKURCLKUFISO-UHFFFAOYSA-N 0 0 404.488 3.637 50 5 HHBARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3cccc([N+](=O)[O-])c3)n2n1 ZINC000004375585 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CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000072289529 558721898 /nfs/dbraw/zinc/72/18/98/558721898.db2.gz QZVAKSJGEILCPM-KRWDZBQOSA-N 0 0 424.461 3.962 50 5 HHBARN CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000072302492 558755401 /nfs/dbraw/zinc/75/54/01/558755401.db2.gz RTFLAUUSHRIVRE-MSOLQXFVSA-N 0 0 403.504 3.584 50 5 HHBARN Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C3CCCCC3)c(=O)n2c1 ZINC000015952827 558763863 /nfs/dbraw/zinc/76/38/63/558763863.db2.gz BFTXHXKZJZCWJJ-UHFFFAOYSA-N 0 0 419.529 3.615 50 5 HHBARN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1c(C)[nH][nH]c1=O ZINC000004663853 558874711 /nfs/dbraw/zinc/87/47/11/558874711.db2.gz NDEFWMXFLNODHS-UHFFFAOYSA-N 0 0 413.365 3.648 50 5 HHBARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000004703799 558913076 /nfs/dbraw/zinc/91/30/76/558913076.db2.gz SBRKSEIOFXGTAF-UHFFFAOYSA-N 0 0 404.378 3.849 50 5 HHBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F ZINC000004723703 558922998 /nfs/dbraw/zinc/92/29/98/558922998.db2.gz YFIXQVDHUJIAQG-UHFFFAOYSA-N 0 0 401.423 3.743 50 5 HHBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCN(c2nccs2)CC1 ZINC000011187422 558930480 /nfs/dbraw/zinc/93/04/80/558930480.db2.gz OLEMWTROFCJUDG-UHFFFAOYSA-N 0 0 418.862 3.927 50 5 HHBARN O=C1NC(=S)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013898407 558937807 /nfs/dbraw/zinc/93/78/07/558937807.db2.gz ZASGFBMVJZMFGS-LCYFTJDESA-N 0 0 422.465 3.692 50 5 HHBARN Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000013957827 559011763 /nfs/dbraw/zinc/01/17/63/559011763.db2.gz AQFIMAIGGWNJAM-UHFFFAOYSA-N 0 0 416.459 3.553 50 5 HHBARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000004749481 559043688 /nfs/dbraw/zinc/04/36/88/559043688.db2.gz LKPRIENWEMAHMA-UHFFFAOYSA-N 0 0 412.421 3.921 50 5 HHBARN Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000004757052 559048706 /nfs/dbraw/zinc/04/87/06/559048706.db2.gz COWQIXXWFOFXOV-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN CC1CCN(C(=O)COc2cccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)c2)CC1 ZINC000033327498 559060278 /nfs/dbraw/zinc/06/02/78/559060278.db2.gz VQJLPRDRGOFSSN-UHFFFAOYSA-N 0 0 422.441 3.949 50 5 HHBARN O=[N+]([O-])c1ccc(NCCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000033354676 559066811 /nfs/dbraw/zinc/06/68/11/559066811.db2.gz BUHLQTKCMFSECS-UHFFFAOYSA-N 0 0 420.338 3.624 50 5 HHBARN CSc1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000004820765 559124048 /nfs/dbraw/zinc/12/40/48/559124048.db2.gz BPTCAAQVULCLIV-UHFFFAOYSA-N 0 0 403.645 3.775 50 5 HHBARN CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2C1=O ZINC000004824954 559146822 /nfs/dbraw/zinc/14/68/22/559146822.db2.gz ZXABSWVBAIUDIK-UHFFFAOYSA-N 0 0 401.806 3.753 50 5 HHBARN C[C@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C[C@H](C)O1 ZINC000014121662 559152458 /nfs/dbraw/zinc/15/24/58/559152458.db2.gz 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O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1C[C@@H]1CCCO1 ZINC000005065859 559239802 /nfs/dbraw/zinc/23/98/02/559239802.db2.gz GAIAKVWPOPXCCI-INIZCTEOSA-N 0 0 403.486 3.979 50 5 HHBARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005211087 560542477 /nfs/dbraw/zinc/54/24/77/560542477.db2.gz FSUVIYJGNJKGQA-HNNXBMFYSA-N 0 0 408.414 3.581 50 5 HHBARN CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000005217360 560543890 /nfs/dbraw/zinc/54/38/90/560543890.db2.gz KTDJMSSRPGHCRF-UHFFFAOYSA-N 0 0 416.438 3.564 50 5 HHBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005505021 560598666 /nfs/dbraw/zinc/59/86/66/560598666.db2.gz UFMYVPMWWGHCCZ-KRWDZBQOSA-N 0 0 416.821 3.523 50 5 HHBARN COC(=O)c1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000005559664 560611386 /nfs/dbraw/zinc/61/13/86/560611386.db2.gz UXZVPYZIYQWULY-MORSLUCNSA-N 0 0 421.446 3.542 50 5 HHBARN Nc1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000005657359 560636924 /nfs/dbraw/zinc/63/69/24/560636924.db2.gz CEYRINAYLMTAHF-UHFFFAOYSA-N 0 0 403.479 3.828 50 5 HHBARN Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c3ccccc3c(=O)oc12 ZINC000015955010 560650621 /nfs/dbraw/zinc/65/06/21/560650621.db2.gz HZWVSGUDWHUFOI-SSOJOUAXSA-N 0 0 421.493 3.787 50 5 biogenic HHBARN Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3ccccc3c(=O)oc12 ZINC000015955009 560650632 /nfs/dbraw/zinc/65/06/32/560650632.db2.gz HZWVSGUDWHUFOI-NSYGIPOTSA-N 0 0 421.493 3.787 50 5 biogenic HHBARN CC1CCN(c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2[N+](=O)[O-])CC1 ZINC000018104001 560775751 /nfs/dbraw/zinc/77/57/51/560775751.db2.gz CXKGITDMBBETSQ-UHFFFAOYSA-N 0 0 415.519 3.528 50 5 HHBARN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000110570535 560880166 /nfs/dbraw/zinc/88/01/66/560880166.db2.gz VEKGSQZLJLIFBP-YRNRMSPPSA-N 0 0 409.486 3.961 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1[N+](=O)[O-] ZINC000046069182 568426628 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O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000095464868 568622667 /nfs/dbraw/zinc/62/26/67/568622667.db2.gz RKTLBCCFKRXFLF-UHFFFAOYSA-N 0 0 403.442 3.975 50 5 HHBARN CC(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000095470747 568626143 /nfs/dbraw/zinc/62/61/43/568626143.db2.gz SJOVLFDMBKMRQV-UHFFFAOYSA-N 0 0 405.322 3.659 50 5 HHBARN CC(=O)OCCCNc1cc(NCc2ccccc2Cl)c2nonc2c1[N+](=O)[O-] ZINC000020664744 568639470 /nfs/dbraw/zinc/63/94/70/568639470.db2.gz APOQCLSEMIFRSL-UHFFFAOYSA-N 0 0 419.825 3.762 50 5 HHBARN CCc1c(C(=O)Nc2cccc(N3CCOC3=O)c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000024985570 568694712 /nfs/dbraw/zinc/69/47/12/568694712.db2.gz LQVSRIWCHUORKW-UHFFFAOYSA-N 0 0 421.413 3.552 50 5 HHBARN COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1Br ZINC000000865166 568713678 /nfs/dbraw/zinc/71/36/78/568713678.db2.gz RNBNIJRPZQEZIF-UHFFFAOYSA-N 0 0 420.307 3.684 50 5 HHBARN CC(C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096275486 568714566 /nfs/dbraw/zinc/71/45/66/568714566.db2.gz MOLMZPPMLSIRMB-LJQANCHMSA-N 0 0 410.430 3.675 50 5 HHBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000229868069 568715704 /nfs/dbraw/zinc/71/57/04/568715704.db2.gz KLSOIPVTUNNHBD-QHAWAJNXSA-N 0 0 415.405 3.646 50 5 HHBARN COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 ZINC000000971862 568758962 /nfs/dbraw/zinc/75/89/62/568758962.db2.gz LAPWELGPYFSJGN-UHFFFAOYSA-N 0 0 419.393 3.886 50 5 HHBARN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000000989562 568760150 /nfs/dbraw/zinc/76/01/50/568760150.db2.gz DNCPKZOEZRJWRY-UHFFFAOYSA-N 0 0 403.398 3.898 50 5 HHBARN O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025242463 568760716 /nfs/dbraw/zinc/76/07/16/568760716.db2.gz HCGAEHRAPZENQH-UHFFFAOYSA-N 0 0 413.817 3.593 50 5 HHBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000096592347 568763283 /nfs/dbraw/zinc/76/32/83/568763283.db2.gz HAZOQBHGOOUSNN-UHFFFAOYSA-N 0 0 424.438 3.940 50 5 HHBARN COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1OC ZINC000001128560 568770865 /nfs/dbraw/zinc/77/08/65/568770865.db2.gz VRMUSDJYNBSKBQ-UHFFFAOYSA-N 0 0 414.443 3.615 50 5 HHBARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000001144646 568772468 /nfs/dbraw/zinc/77/24/68/568772468.db2.gz IMQOSURYRDIJGC-XMMPIXPASA-N 0 0 416.433 3.645 50 5 HHBARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000001130345 568773097 /nfs/dbraw/zinc/77/30/97/568773097.db2.gz SSVVSVVKQFARCB-UJFYRASASA-N 0 0 416.411 3.761 50 5 HHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000001135922 568773248 /nfs/dbraw/zinc/77/32/48/568773248.db2.gz HFDCVNKAGQLSSK-UHFFFAOYSA-N 0 0 402.362 3.752 50 5 HHBARN COc1ccccc1-c1cc(-c2ccccc2OC)n(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000002733454 568805337 /nfs/dbraw/zinc/80/53/37/568805337.db2.gz 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CC1=C(C(=O)OC(C)C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)C)=C(C)N1 ZINC000001217737 568824857 /nfs/dbraw/zinc/82/48/57/568824857.db2.gz WJHVMPUZJHHJJI-UHFFFAOYSA-N 0 0 402.447 3.733 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(SC)ccc1Cl ZINC000005860510 568826307 /nfs/dbraw/zinc/82/63/07/568826307.db2.gz WKJXUFDKGPRANX-UHFFFAOYSA-N 0 0 410.835 3.774 50 5 HHBARN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000002976781 568832586 /nfs/dbraw/zinc/83/25/86/568832586.db2.gz CFFHDBCFBZQRQG-IBGZPJMESA-N 0 0 414.458 3.917 50 5 HHBARN C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000003008086 568837046 /nfs/dbraw/zinc/83/70/46/568837046.db2.gz KPZXSHZDEZBLQT-CYBMUJFWSA-N 0 0 410.455 3.933 50 5 HHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCc1nc2ccccc2[nH]1 ZINC000012520291 568841104 /nfs/dbraw/zinc/84/11/04/568841104.db2.gz MZCCQJLDYITRMQ-UHFFFAOYSA-N 0 0 410.477 3.780 50 5 HHBARN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1Nc1cccc(Cl)c1 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RPHYMJOEHFABMZ-SFHVURJKSA-N 0 0 407.430 3.687 50 5 HHBARN CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000072277138 558702589 /nfs/dbraw/zinc/70/25/89/558702589.db2.gz IBPZEKDCRAUTCV-ZWKOTPCHSA-N 0 0 403.504 3.666 50 5 HHBARN Cc1c2nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)sc2ccc1Cl ZINC000004585363 558775934 /nfs/dbraw/zinc/77/59/34/558775934.db2.gz QFRRLZBHXWXLOR-UHFFFAOYSA-N 0 0 406.851 3.722 50 5 HHBARN CSCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1F ZINC000072312599 558837875 /nfs/dbraw/zinc/83/78/75/558837875.db2.gz XRXCHJGMWQDWSI-SNVBAGLBSA-N 0 0 410.398 3.920 50 5 HHBARN O=C(c1ccccc1)[C@H]1C(c2ccc([N+](=O)[O-])cc2)=NO[C@]12C(=O)Nc1ccccc12 ZINC000013629262 558848581 /nfs/dbraw/zinc/84/85/81/558848581.db2.gz JHWGXAQPUPVFDH-XXBNENTESA-N 0 0 413.389 3.676 50 5 HHBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000004611434 558853878 /nfs/dbraw/zinc/85/38/78/558853878.db2.gz DBJNASKGGJTQTF-BASWHVEKSA-N 0 0 407.165 3.975 50 5 HHBARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000004690829 558900283 /nfs/dbraw/zinc/90/02/83/558900283.db2.gz RRJHPHLJAONTNK-CYBMUJFWSA-N 0 0 413.459 3.594 50 5 HHBARN O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004906087 559199416 /nfs/dbraw/zinc/19/94/16/559199416.db2.gz BSMFZRKFSCDNOC-UHFFFAOYSA-N 0 0 407.220 3.819 50 5 HHBARN CCc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000004905800 559201737 /nfs/dbraw/zinc/20/17/37/559201737.db2.gz BXILIKRMICHVIN-UHFFFAOYSA-N 0 0 401.422 3.671 50 5 HHBARN Cc1c(C(=O)NCCCOC(C)C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931084 559209661 /nfs/dbraw/zinc/20/96/61/559209661.db2.gz COPXZSFUTAIKFS-UHFFFAOYSA-N 0 0 402.476 3.824 50 5 HHBARN COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005092627 559243461 /nfs/dbraw/zinc/24/34/61/559243461.db2.gz BYWQMJUHCXEKOD-QGOAFFKASA-N 0 0 407.382 3.606 50 5 HHBARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([N+](=O)[O-])o2)cs1 ZINC000024170466 559275103 /nfs/dbraw/zinc/27/51/03/559275103.db2.gz CWGGPUCWMMUPDR-UHFFFAOYSA-N 0 0 417.399 3.695 50 5 HHBARN O=[N+]([O-])c1ccc(N2CCN(Cn3ccn(Cc4ccccc4)c3=S)CC2)cc1 ZINC000024259720 559281131 /nfs/dbraw/zinc/28/11/31/559281131.db2.gz HDNGRGPZHNPDKU-UHFFFAOYSA-N 0 0 409.515 3.755 50 5 HHBARN CCOc1cccc2sc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nc21 ZINC000005181820 559289858 /nfs/dbraw/zinc/28/98/58/559289858.db2.gz MQLHXDDCQVCVOO-UHFFFAOYSA-N 0 0 412.471 3.566 50 5 HHBARN Cc1ccccc1C(=O)Nn1c(=O)c2ccccc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000005198515 559292162 /nfs/dbraw/zinc/29/21/62/559292162.db2.gz OMQUWNLFERZIGJ-UHFFFAOYSA-N 0 0 400.394 3.664 50 5 HHBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)N1CCN(c2ccccc2)CC1 ZINC000005345367 560569837 /nfs/dbraw/zinc/56/98/37/560569837.db2.gz AUYKAYPLPRVVEI-UHFFFAOYSA-N 0 0 414.461 3.674 50 5 HHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000005517368 560604585 /nfs/dbraw/zinc/60/45/85/560604585.db2.gz NZJWFJAFIDRKEU-MRXNPFEDSA-N 0 0 404.785 3.654 50 5 HHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000005406336 560626964 /nfs/dbraw/zinc/62/69/64/560626964.db2.gz MSTCYXQMLGWCGD-MDWZMJQESA-N 0 0 409.442 3.780 50 5 HHBARN CCOC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100910516 560762606 /nfs/dbraw/zinc/76/26/06/560762606.db2.gz SPMDABIUIKUVAQ-MRCUWXFGSA-N 0 0 413.455 3.532 50 5 HHBARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000101317811 560791368 /nfs/dbraw/zinc/79/13/68/560791368.db2.gz IFNQRPOBVCDZRH-ACWOFJMJSA-N 0 0 406.394 3.516 50 5 HHBARN CC(C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718503 560798625 /nfs/dbraw/zinc/79/86/25/560798625.db2.gz BHVSUUCHCACEOU-IBGZPJMESA-N 0 0 410.430 3.675 50 5 HHBARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000651618 568457651 /nfs/dbraw/zinc/45/76/51/568457651.db2.gz YSIUQPZMSMGDOM-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN COc1cc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)ccc1OC(C)=O ZINC000000675731 568461178 /nfs/dbraw/zinc/46/11/78/568461178.db2.gz XXRLBMZKAWWMJK-VIZOYTHASA-N 0 0 416.773 3.527 50 5 HHBARN COc1cccc(C(=O)Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1 ZINC000000710831 568464657 /nfs/dbraw/zinc/46/46/57/568464657.db2.gz AMLFCLPANQCCMI-UHFFFAOYSA-N 0 0 418.361 3.623 50 5 HHBARN Cc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000021760367 568467929 /nfs/dbraw/zinc/46/79/29/568467929.db2.gz KTFAUETZKYCMAI-UHFFFAOYSA-N 0 0 402.760 3.812 50 5 HHBARN Cc1cccc(Cc2cnc(NC(=O)CCn3cnc([N+](=O)[O-])c3)s2)c1Cl ZINC000024836616 568469850 /nfs/dbraw/zinc/46/98/50/568469850.db2.gz AEQIVHAXEMHCDN-UHFFFAOYSA-N 0 0 405.867 3.829 50 5 HHBARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000782964 568474408 /nfs/dbraw/zinc/47/44/08/568474408.db2.gz OQJSVTXOBJGEHC-UHFFFAOYSA-N 0 0 415.449 3.860 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012361393 568509577 /nfs/dbraw/zinc/50/95/77/568509577.db2.gz VTGXYMRGWNBFJP-LJQANCHMSA-N 0 0 417.874 3.844 50 5 HHBARN CCOC(=O)C1C(C)=Nc2nc(SCC(C)C)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020181703 568593142 /nfs/dbraw/zinc/59/31/42/568593142.db2.gz WGDXAJFQEWIFFV-INIZCTEOSA-N 0 0 417.491 3.786 50 5 HHBARN CCn1c(=O)c2c3c(sc2nc1SCc1ccc([N+](=O)[O-])cc1)CN(C)CC3 ZINC000020266207 568596335 /nfs/dbraw/zinc/59/63/35/568596335.db2.gz OUMGJQRBNPHMMV-UHFFFAOYSA-N 0 0 416.528 3.666 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000095351447 568600956 /nfs/dbraw/zinc/60/09/56/568600956.db2.gz GDWBQBZWQOKNGX-UHFFFAOYSA-N 0 0 423.391 3.707 50 5 HHBARN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000095432190 568609172 /nfs/dbraw/zinc/60/91/72/568609172.db2.gz LXGFHAVIXPCPNY-MRXNPFEDSA-N 0 0 419.522 3.780 50 5 HHBARN CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000095467700 568624906 /nfs/dbraw/zinc/62/49/06/568624906.db2.gz GXHAUUPEHMEQSJ-STQMWFEESA-N 0 0 417.487 3.720 50 5 HHBARN Cc1ccccc1N1C(=O)c2cccc3c(NCCCO)c([N+](=O)[O-])cc(c23)C1=O ZINC000095470792 568626208 /nfs/dbraw/zinc/62/62/08/568626208.db2.gz ZDAWIQDCRXEVAY-UHFFFAOYSA-N 0 0 405.410 3.651 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531174 568627084 /nfs/dbraw/zinc/62/70/84/568627084.db2.gz XREPZOYOBNOXTF-NRFANRHFSA-N 0 0 401.422 3.801 50 5 HHBARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000021104752 568666959 /nfs/dbraw/zinc/66/69/59/568666959.db2.gz XWLCCNKMCQFREZ-FQEVSTJZSA-N 0 0 406.398 3.778 50 5 HHBARN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000096230748 568706738 /nfs/dbraw/zinc/70/67/38/568706738.db2.gz CPSNOQSZZACVMY-UHFFFAOYSA-N 0 0 413.861 3.713 50 5 HHBARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000000857424 568711561 /nfs/dbraw/zinc/71/15/61/568711561.db2.gz ZEXPCKLSSJCOFN-UHFFFAOYSA-N 0 0 400.416 3.693 50 5 HHBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 ZINC000000853768 568711985 /nfs/dbraw/zinc/71/19/85/568711985.db2.gz QYFCJQGLHVNPTE-INIZCTEOSA-N 0 0 400.818 3.869 50 5 HHBARN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000862142 568713683 /nfs/dbraw/zinc/71/36/83/568713683.db2.gz CGZUVEHWYBXYLU-UHFFFAOYSA-N 0 0 403.851 3.775 50 5 HHBARN CC(C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)COCc1ccccc1 ZINC000096278932 568717165 /nfs/dbraw/zinc/71/71/65/568717165.db2.gz QHAGOVVUBAZALO-UHFFFAOYSA-N 0 0 424.457 3.641 50 5 HHBARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000877109 568726227 /nfs/dbraw/zinc/72/62/27/568726227.db2.gz GOMCDRPJJWSADK-UHFFFAOYSA-N 0 0 423.878 3.675 50 5 HHBARN CC[C@@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000025063123 568741541 /nfs/dbraw/zinc/74/15/41/568741541.db2.gz KHFIVESICYFNDK-MRXNPFEDSA-N 0 0 421.544 3.955 50 5 HHBARN O=C(COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000000991312 568759828 /nfs/dbraw/zinc/75/98/28/568759828.db2.gz PHOOEKXQGTXCKZ-UHFFFAOYSA-N 0 0 404.378 3.887 50 5 HHBARN O=C(OCc1ccccc1F)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001074699 568765377 /nfs/dbraw/zinc/76/53/77/568765377.db2.gz GVGQQYMKBSYKCY-UHFFFAOYSA-N 0 0 415.398 3.924 50 5 HHBARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001066911 568766047 /nfs/dbraw/zinc/76/60/47/568766047.db2.gz CYYIEQNLBNLHEV-MRXNPFEDSA-N 0 0 415.793 3.562 50 5 HHBARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 ZINC000001082751 568767680 /nfs/dbraw/zinc/76/76/80/568767680.db2.gz ZLEHULCBBTUBOY-QGZVFWFLSA-N 0 0 414.845 3.912 50 5 HHBARN Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001110367 568770303 /nfs/dbraw/zinc/77/03/03/568770303.db2.gz HVTQURKNQXEFOA-UHFFFAOYSA-N 0 0 417.590 3.809 50 5 HHBARN COc1ccc(Br)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055543425 568779099 /nfs/dbraw/zinc/77/90/99/568779099.db2.gz ZCBCFHWBBIEQRO-UHFFFAOYSA-N 0 0 406.280 3.688 50 5 HHBARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002647476 568793414 /nfs/dbraw/zinc/79/34/14/568793414.db2.gz ZOFREJJBURTLCF-QPJJXVBHSA-N 0 0 414.893 3.518 50 5 HHBARN Cc1nn(Cc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)c(C)c1[N+](=O)[O-] ZINC000002790122 568808589 /nfs/dbraw/zinc/80/85/89/568808589.db2.gz HHRJJYXORGHGGF-UHFFFAOYSA-N 0 0 423.458 3.986 50 5 HHBARN COc1cccc([C@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000002796479 568810590 /nfs/dbraw/zinc/81/05/90/568810590.db2.gz ZLINWRQYGJUOBK-AWEZNQCLSA-N 0 0 408.458 3.956 50 5 HHBARN O=C1c2cccc3ccc(Cl)c(c32)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002898664 568815129 /nfs/dbraw/zinc/81/51/29/568815129.db2.gz TUBARWSJGGPBML-UHFFFAOYSA-N 0 0 413.729 3.900 50 5 HHBARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000001189834 568822076 /nfs/dbraw/zinc/82/20/76/568822076.db2.gz 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HHBARN Cc1cccc2sc(NC(=O)c3ccc(=O)n(Cc4cccc([N+](=O)[O-])c4)c3)nc21 ZINC000010187978 571296253 /nfs/dbraw/zinc/29/62/53/571296253.db2.gz MLJALLXESGPOOF-UHFFFAOYSA-N 0 0 420.450 3.975 50 5 HHBARN CCO/C=C1\c2ccc(OC)cc2C(=O)N(c2ccc(OCC)cc2[N+](=O)[O-])C1=O ZINC000004258662 960570541 /nfs/dbraw/zinc/57/05/41/960570541.db2.gz PRKBWAALIIJFJO-SFQUDFHCSA-N 0 0 412.398 3.567 50 5 HHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000005113322 960654471 /nfs/dbraw/zinc/65/44/71/960654471.db2.gz YKDKUQILNUEHPH-DHZHZOJOSA-N 0 0 408.454 3.633 50 5 HHBARN O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009990124 961726518 /nfs/dbraw/zinc/72/65/18/961726518.db2.gz SBWZJBGQSKVELK-SOFGYWHQSA-N 0 0 422.437 3.501 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000014360704 962481936 /nfs/dbraw/zinc/48/19/36/962481936.db2.gz XYIWXOLBNBSDTL-QPJJXVBHSA-N 0 0 423.252 3.817 50 5 HHBARN O=C(N/C(=C/C=C\c1ccccc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000033341027 966406491 /nfs/dbraw/zinc/40/64/91/966406491.db2.gz RZFODZWMXIGJKS-OSRKHQHYSA-N 0 0 405.454 3.934 50 5 HHBARN O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000004543494 132278077 /nfs/dbraw/zinc/27/80/77/132278077.db2.gz WRORJJHULOBSLL-UHFFFAOYSA-N 0 0 412.465 3.687 50 5 HHBARN O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 ZINC000004575241 132278839 /nfs/dbraw/zinc/27/88/39/132278839.db2.gz OIMCDBZZAQVQAA-UHFFFAOYSA-N 0 0 420.469 3.805 50 5 HHBARN CCO/C=C1/c2ccc(OC)cc2C(=O)N(c2ccc(OCC)cc2[N+](=O)[O-])C1=O ZINC000005591944 132307063 /nfs/dbraw/zinc/30/70/63/132307063.db2.gz PRKBWAALIIJFJO-ATVHPVEESA-N 0 0 412.398 3.567 50 5 HHBARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007367861 132324158 /nfs/dbraw/zinc/32/41/58/132324158.db2.gz HPKSMIOXBVFMTL-UHFFFAOYSA-N 0 0 412.446 3.820 50 5 HHBARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007802923 132325872 /nfs/dbraw/zinc/32/58/72/132325872.db2.gz VEAPCBQZIXRMDI-XCVCLJGOSA-N 0 0 405.376 3.976 50 5 HHBARN Cc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)cc1[N+](=O)[O-] ZINC000008855113 132333789 /nfs/dbraw/zinc/33/37/89/132333789.db2.gz YNUCCCLKOPOVJI-UHFFFAOYSA-N 0 0 422.254 3.767 50 5 HHBARN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000012533347 132362096 /nfs/dbraw/zinc/36/20/96/132362096.db2.gz FCMXGGAKHCOMNR-GASCZTMLSA-N 0 0 411.458 3.736 50 5 HHBARN CCCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O ZINC000040399015 521390693 /nfs/dbraw/zinc/39/06/93/521390693.db2.gz JHVUOBSUACDZLG-UHFFFAOYSA-N 0 0 418.501 3.667 50 5 HHBARN O=C(c1ccccc1)c1ccc(N2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000032857658 526798043 /nfs/dbraw/zinc/79/80/43/526798043.db2.gz ZRQOGOUQXXBGAZ-UHFFFAOYSA-N 0 0 407.470 3.665 50 5 HHBARN NS(=O)(=O)c1ccc(Sc2nc3c(cc(Cl)cc3Cl)[nH]2)c([N+](=O)[O-])c1 ZINC000032509760 527319262 /nfs/dbraw/zinc/31/92/62/527319262.db2.gz BWMILJRZXCDSSB-UHFFFAOYSA-N 0 0 419.271 3.577 50 5 HHBARN Cn1ccnc1[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000040162366 527457203 /nfs/dbraw/zinc/45/72/03/527457203.db2.gz RDUPDZHOZLJRCC-OAHLLOKOSA-N 0 0 412.368 3.779 50 5 HHBARN Cn1ccnc1[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000040162365 527467291 /nfs/dbraw/zinc/46/72/91/527467291.db2.gz RDUPDZHOZLJRCC-HNNXBMFYSA-N 0 0 412.368 3.779 50 5 HHBARN COc1ccccc1C(=O)Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 ZINC000004328247 558260082 /nfs/dbraw/zinc/26/00/82/558260082.db2.gz NYTWRAMGNYEPAU-UHFFFAOYSA-N 0 0 402.457 4.000 50 5 HHBARN O=[N+]([O-])c1cc(Cl)ccc1NCCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000004413413 558522450 /nfs/dbraw/zinc/52/24/50/558522450.db2.gz OIEZRABEOCPMGQ-UHFFFAOYSA-N 0 0 404.275 3.682 50 5 HHBARN CSc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000010974424 558633539 /nfs/dbraw/zinc/63/35/39/558633539.db2.gz FHRGSEMAIFGNTI-UHFFFAOYSA-N 0 0 403.479 3.804 50 5 HHBARN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc([N+](=O)[O-])c1 ZINC000072235807 558635070 /nfs/dbraw/zinc/63/50/70/558635070.db2.gz AVDNWKSBKFNSHO-UHFFFAOYSA-N 0 0 414.731 3.631 50 5 HHBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073740 558747647 /nfs/dbraw/zinc/74/76/47/558747647.db2.gz RMRWOZRIZSPQNT-HNNXBMFYSA-N 0 0 418.453 3.510 50 5 HHBARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015821899 558754487 /nfs/dbraw/zinc/75/44/87/558754487.db2.gz IGVHVKFQCKAPDU-UHFFFAOYSA-N 0 0 414.643 3.566 50 5 HHBARN Cc1ccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc2c1C ZINC000004585341 558775946 /nfs/dbraw/zinc/77/59/46/558775946.db2.gz WVJMDUNOBDCCIW-UHFFFAOYSA-N 0 0 402.501 3.845 50 5 HHBARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000004585411 558776183 /nfs/dbraw/zinc/77/61/83/558776183.db2.gz CKSZSDNGUWAFJV-UHFFFAOYSA-N 0 0 400.394 3.855 50 5 HHBARN O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1-c1cccc(Cl)c1 ZINC000038829456 558816241 /nfs/dbraw/zinc/81/62/41/558816241.db2.gz DAGYAGMWLPCRTL-UHFFFAOYSA-N 0 0 400.825 3.738 50 5 HHBARN CC[C@@H](c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1)n1cc([N+](=O)[O-])cn1 ZINC000017087900 558816774 /nfs/dbraw/zinc/81/67/74/558816774.db2.gz VUTRZBKQBKTVLA-LBPRGKRZSA-N 0 0 408.447 3.608 50 5 HHBARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccco1 ZINC000004678065 558881604 /nfs/dbraw/zinc/88/16/04/558881604.db2.gz HIJYSDJUICNCMM-UHFFFAOYSA-N 0 0 410.411 3.567 50 5 HHBARN C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000011226008 558892110 /nfs/dbraw/zinc/89/21/10/558892110.db2.gz GQTKAGBMKMCPRQ-KGLIPLIRSA-N 0 0 409.442 3.692 50 5 HHBARN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004715541 558914738 /nfs/dbraw/zinc/91/47/38/558914738.db2.gz ZTPSELXLMIZEOI-LJAQVGFWSA-N 0 0 413.455 3.754 50 5 HHBARN COC(=O)c1c2c(sc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C)CCCC2 ZINC000004717621 558916050 /nfs/dbraw/zinc/91/60/50/558916050.db2.gz AGTQHECQSFONCL-UHFFFAOYSA-N 0 0 420.491 3.554 50 5 HHBARN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC12CCCCC2 ZINC000097143481 558997029 /nfs/dbraw/zinc/99/70/29/558997029.db2.gz NGUHXFJIRYQTNC-KRWDZBQOSA-N 0 0 401.507 3.864 50 5 HHBARN CCOC(=O)/C(=C\c1ccc(NC)c([N+](=O)[O-])c1)c1nccn1Cc1ccccc1 ZINC000097207232 559012122 /nfs/dbraw/zinc/01/21/22/559012122.db2.gz JVDZGRSWPCBSNE-AQTBWJFISA-N 0 0 406.442 3.985 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000023142619 559020677 /nfs/dbraw/zinc/02/06/77/559020677.db2.gz JBEPOGHGFAHVTI-QGZVFWFLSA-N 0 0 403.442 3.907 50 5 HHBARN Cc1nc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2c(=O)n1-c1ccccc1 ZINC000023143766 559020995 /nfs/dbraw/zinc/02/09/95/559020995.db2.gz IHXDIZADGIXUNH-UHFFFAOYSA-N 0 0 414.421 3.784 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 ZINC000011620779 559115556 /nfs/dbraw/zinc/11/55/56/559115556.db2.gz YPDAIRKHDBGIAQ-UHFFFAOYSA-N 0 0 404.854 3.908 50 5 HHBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000004820532 559124172 /nfs/dbraw/zinc/12/41/72/559124172.db2.gz VLAQYBGKSVGFCO-UHFFFAOYSA-N 0 0 409.851 3.782 50 5 HHBARN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000084770976 559163526 /nfs/dbraw/zinc/16/35/26/559163526.db2.gz PGJODSLOKUIUQK-ZDUSSCGKSA-N 0 0 424.461 3.836 50 5 HHBARN O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1CCO ZINC000004845700 559169144 /nfs/dbraw/zinc/16/91/44/559169144.db2.gz DMCHARZXDWZKSS-UHFFFAOYSA-N 0 0 411.801 3.733 50 5 HHBARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004840494 559171243 /nfs/dbraw/zinc/17/12/43/559171243.db2.gz MZUCYMVAWZKTLM-UHFFFAOYSA-N 0 0 417.849 3.952 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000004879146 559196072 /nfs/dbraw/zinc/19/60/72/559196072.db2.gz SNXDEEVDVVGBMM-LJQANCHMSA-N 0 0 404.430 3.731 50 5 HHBARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1 ZINC000004898237 559199194 /nfs/dbraw/zinc/19/91/94/559199194.db2.gz BGZUANHGBWPGFS-UHFFFAOYSA-N 0 0 414.443 3.904 50 5 HHBARN Cc1cc2c3nnc(SCC(=O)Nc4ccccc4[N+](=O)[O-])nc3[nH]c2c(C)c1 ZINC000004954425 559216119 /nfs/dbraw/zinc/21/61/19/559216119.db2.gz RRSNOHJTVPYJIU-UHFFFAOYSA-N 0 0 408.443 3.762 50 5 HHBARN CC(C)(C)c1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004961216 559217504 /nfs/dbraw/zinc/21/75/04/559217504.db2.gz GINQWTOZOOUQJV-UHFFFAOYSA-N 0 0 400.460 3.575 50 5 HHBARN O=C1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc2ccccc2c1 ZINC000005054942 559237572 /nfs/dbraw/zinc/23/75/72/559237572.db2.gz YFVHFECFEFYPAO-QFIPXVFZSA-N 0 0 401.378 3.575 50 5 HHBARN CC(C)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000005407852 560584360 /nfs/dbraw/zinc/58/43/60/560584360.db2.gz BRKRYPSTQITKPZ-NRFANRHFSA-N 0 0 400.431 3.648 50 5 HHBARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005561726 560618407 /nfs/dbraw/zinc/61/84/07/560618407.db2.gz VQCIIVYFQBFWLJ-UHFFFAOYSA-N 0 0 405.439 3.758 50 5 HHBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1OC(F)F ZINC000005656115 560636838 /nfs/dbraw/zinc/63/68/38/560636838.db2.gz IXGXREHFYZZZKJ-UHFFFAOYSA-N 0 0 400.721 3.645 50 5 HHBARN CCOC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100910512 560762559 /nfs/dbraw/zinc/76/25/59/560762559.db2.gz DFJIGVCIFOCMFO-MRCUWXFGSA-N 0 0 413.455 3.532 50 5 HHBARN CC1(C)CC(=O)C(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100926875 560763202 /nfs/dbraw/zinc/76/32/02/560763202.db2.gz AKAPCQRQGHJPED-UHFFFAOYSA-N 0 0 413.470 3.827 50 5 HHBARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000018165061 560780404 /nfs/dbraw/zinc/78/04/04/560780404.db2.gz YQLRHSKPOPNTJI-AWEZNQCLSA-N 0 0 416.459 3.595 50 5 HHBARN COc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000005688369 560784100 /nfs/dbraw/zinc/78/41/00/560784100.db2.gz HJBKQLMTSSSHJY-CQSZACIVSA-N 0 0 405.476 3.561 50 5 HHBARN CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000005688325 560784111 /nfs/dbraw/zinc/78/41/11/560784111.db2.gz MBABAOFVSFPZAP-OAHLLOKOSA-N 0 0 403.485 3.950 50 5 HHBARN CC(=O)Nc1ccc(Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000101508363 560796719 /nfs/dbraw/zinc/79/67/19/560796719.db2.gz RXTADRXOFNGNKA-HDICACEKSA-N 0 0 420.425 3.752 50 5 HHBARN CCN1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106798142 560893866 /nfs/dbraw/zinc/89/38/66/560893866.db2.gz KMSCVPWMRKCWEN-OAQYLSRUSA-N 0 0 420.513 3.773 50 5 HHBARN CCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000048019977 568431817 /nfs/dbraw/zinc/43/18/17/568431817.db2.gz LEBVKSUXRRMYSW-UHFFFAOYSA-N 0 0 412.446 3.516 50 5 HHBARN O=C(c1cc(F)ccc1F)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273915 568434105 /nfs/dbraw/zinc/43/41/05/568434105.db2.gz HEPHCRFXEPYZBY-UHFFFAOYSA-N 0 0 400.385 3.775 50 5 HHBARN CC(C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000000719669 568464812 /nfs/dbraw/zinc/46/48/12/568464812.db2.gz WTRDKMCKJILOMK-INIZCTEOSA-N 0 0 401.806 3.508 50 5 HHBARN Cc1csc(CCNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 ZINC000024840048 568470569 /nfs/dbraw/zinc/47/05/69/568470569.db2.gz SVAMABXUTQPINF-UHFFFAOYSA-N 0 0 424.548 3.579 50 5 HHBARN CCOC(=O)c1c2c(sc1NC(=O)Cc1ccc([N+](=O)[O-])cc1)COC(C)(C)C2 ZINC000000751893 568470917 /nfs/dbraw/zinc/47/09/17/568470917.db2.gz SRMBJTGVZJQPLY-UHFFFAOYSA-N 0 0 418.471 3.866 50 5 HHBARN COc1cc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000024886474 568476070 /nfs/dbraw/zinc/47/60/70/568476070.db2.gz XCYUAWSJFXICQP-UHFFFAOYSA-N 0 0 412.345 3.709 50 5 HHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccccc1I ZINC000000829687 568500495 /nfs/dbraw/zinc/50/04/95/568500495.db2.gz DPCPIYKVMQDATD-ZROIWOOFSA-N 0 0 420.162 3.544 50 5 HHBARN Cc1ccc(CCNC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 ZINC000020177526 568592624 /nfs/dbraw/zinc/59/26/24/568592624.db2.gz GAHPJQPYWDAMQO-UHFFFAOYSA-N 0 0 408.502 3.998 50 5 HHBARN CCOC(=O)C1C(C)=Nc2nc(SCC(C)C)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020181701 568592950 /nfs/dbraw/zinc/59/29/50/568592950.db2.gz WGDXAJFQEWIFFV-MRXNPFEDSA-N 0 0 417.491 3.786 50 5 HHBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000095460496 568620260 /nfs/dbraw/zinc/62/02/60/568620260.db2.gz KDFCDDXPLYGJGU-UHFFFAOYSA-N 0 0 414.487 3.793 50 5 HHBARN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095465837 568624087 /nfs/dbraw/zinc/62/40/87/568624087.db2.gz RHJHTRLMFQBPTI-YJYMSZOUSA-N 0 0 414.849 3.940 50 5 HHBARN CSc1ccc([C@@H]2OC(COc3ccc(C)cc3[N+](=O)[O-])=NN2C(C)=O)cc1 ZINC000021090989 568663999 /nfs/dbraw/zinc/66/39/99/568663999.db2.gz QQLAPVOVNWHDHI-IBGZPJMESA-N 0 0 401.444 3.895 50 5 HHBARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000021104814 568666951 /nfs/dbraw/zinc/66/69/51/568666951.db2.gz GCPYDEOREOHARO-HXUWFJFHSA-N 0 0 406.398 3.778 50 5 HHBARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000021106417 568667167 /nfs/dbraw/zinc/66/71/67/568667167.db2.gz UJIUPGKZCIGNBD-HXUWFJFHSA-N 0 0 406.398 3.778 50 5 HHBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000021106888 568667275 /nfs/dbraw/zinc/66/72/75/568667275.db2.gz FJDFKZYZLMMWAG-OAQYLSRUSA-N 0 0 420.425 3.774 50 5 HHBARN CCOc1ccc([N+](=O)[O-])cc1CN1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096003715 568682108 /nfs/dbraw/zinc/68/21/08/568682108.db2.gz ZGLQQSGJNDRRAI-UHFFFAOYSA-N 0 0 406.486 3.991 50 5 HHBARN C[C@@H]1CC(=O)N(c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000096236004 568708527 /nfs/dbraw/zinc/70/85/27/568708527.db2.gz GIGMBVZXRSUHHG-MRXNPFEDSA-N 0 0 407.470 3.953 50 5 HHBARN CCN1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccccc2[N+](=O)[O-])CC1 ZINC000096276609 568715370 /nfs/dbraw/zinc/71/53/70/568715370.db2.gz IHOSDZQQRAYSPQ-IBGZPJMESA-N 0 0 406.486 3.762 50 5 HHBARN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1O ZINC000225767593 568781113 /nfs/dbraw/zinc/78/11/13/568781113.db2.gz RGONFQXPLOFSNK-UHFFFAOYSA-N 0 0 416.146 3.605 50 5 HHBARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1[N+](=O)[O-] ZINC000001051272 568764859 /nfs/dbraw/zinc/76/48/59/568764859.db2.gz YLYXEMZAWTXBKX-UHFFFAOYSA-N 0 0 401.423 3.569 50 5 HHBARN O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000022204077 568765307 /nfs/dbraw/zinc/76/53/07/568765307.db2.gz PYXMMJJNVSDPPF-HNNXBMFYSA-N 0 0 402.665 3.811 50 5 HHBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000001120759 568771171 /nfs/dbraw/zinc/77/11/71/568771171.db2.gz MYMLRQVDNIQMPS-UHFFFAOYSA-N 0 0 401.419 3.849 50 5 HHBARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000001142329 568772281 /nfs/dbraw/zinc/77/22/81/568772281.db2.gz YYSMRDRRQPJWTA-UHFFFAOYSA-N 0 0 413.459 3.520 50 5 HHBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1CN1C(=O)c2ccccc2C1=O ZINC000001132623 568773268 /nfs/dbraw/zinc/77/32/68/568773268.db2.gz RJQVWLMTOKYGJD-UHFFFAOYSA-N 0 0 415.405 3.952 50 5 HHBARN COc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001136289 568773484 /nfs/dbraw/zinc/77/34/84/568773484.db2.gz XGYUNGSPWLTXHR-UHFFFAOYSA-N 0 0 412.423 3.689 50 5 HHBARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000001162952 568775341 /nfs/dbraw/zinc/77/53/41/568775341.db2.gz HNQKOZXTTWQZHR-UHFFFAOYSA-N 0 0 404.378 3.849 50 5 HHBARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001168990 568775405 /nfs/dbraw/zinc/77/54/05/568775405.db2.gz PLQXVJMVOHSPFM-QGZVFWFLSA-N 0 0 401.806 3.577 50 5 HHBARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000028044849 568778367 /nfs/dbraw/zinc/77/83/67/568778367.db2.gz PQGQTXCJEMEUBU-NSHDSACASA-N 0 0 423.878 3.636 50 5 HHBARN Cc1ccc(Cl)cc1NC(=O)NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055545173 568779077 /nfs/dbraw/zinc/77/90/77/568779077.db2.gz ZZTMAPNEZFJXHP-UHFFFAOYSA-N 0 0 417.897 3.500 50 5 HHBARN Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000002647998 568795506 /nfs/dbraw/zinc/79/55/06/568795506.db2.gz VDDYECMDJXRHHF-INIZCTEOSA-N 0 0 409.471 3.682 50 5 HHBARN CC(C)COCCCNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000015142828 568810778 /nfs/dbraw/zinc/81/07/78/568810778.db2.gz XXBDOTQKODDLAX-UHFFFAOYSA-N 0 0 413.540 3.634 50 5 HHBARN O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001186389 568821856 /nfs/dbraw/zinc/82/18/56/568821856.db2.gz KQWCDWMKRKARGO-UHFFFAOYSA-N 0 0 420.450 3.974 50 5 HHBARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000001189839 568822030 /nfs/dbraw/zinc/82/20/30/568822030.db2.gz IWFKGCPTAUUZGL-INIZCTEOSA-N 0 0 402.863 3.680 50 5 HHBARN O=Cc1ccc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)c([N+](=O)[O-])c1 ZINC000057315405 568826613 /nfs/dbraw/zinc/82/66/13/568826613.db2.gz BTWZCWBANBJTAG-UHFFFAOYSA-N 0 0 414.512 3.915 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(NC(=O)c2ccccc2)s1 ZINC000002997643 568836101 /nfs/dbraw/zinc/83/61/01/568836101.db2.gz UYWIKLIFTJXYRR-UHFFFAOYSA-N 0 0 402.457 4.000 50 5 HHBARN O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 ZINC000003014423 568838332 /nfs/dbraw/zinc/83/83/32/568838332.db2.gz KCQMEVOBIWUESY-UHFFFAOYSA-N 0 0 413.846 3.963 50 5 HHBARN O=C(c1ccc(S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000003017534 568838710 /nfs/dbraw/zinc/83/87/10/568838710.db2.gz CEHGEZVYPXHAQV-UHFFFAOYSA-N 0 0 406.435 3.583 50 5 HHBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000012528515 568843931 /nfs/dbraw/zinc/84/39/31/568843931.db2.gz HCVYNHFCBVTIND-UHFFFAOYSA-N 0 0 410.474 3.968 50 5 HHBARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000057869738 568864645 /nfs/dbraw/zinc/86/46/45/568864645.db2.gz KKQZFYVTJTUPPS-UHFFFAOYSA-N 0 0 409.273 3.662 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000019159192 568865565 /nfs/dbraw/zinc/86/55/65/568865565.db2.gz KKGWXNPEZHSQPC-UHFFFAOYSA-N 0 0 423.450 3.599 50 5 HHBARN CCOc1ccc2[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)nc2c1 ZINC000012599585 568869745 /nfs/dbraw/zinc/86/97/45/568869745.db2.gz RFWCRUGSBYHRRZ-UHFFFAOYSA-N 0 0 402.432 3.609 50 5 HHBARN COc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000003268313 568870141 /nfs/dbraw/zinc/87/01/41/568870141.db2.gz LQWCAIGQTQIITA-UHFFFAOYSA-N 0 0 400.372 3.887 50 5 HHBARN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 ZINC000003283101 568871970 /nfs/dbraw/zinc/87/19/70/568871970.db2.gz JGANSTALJBFZLT-UHFFFAOYSA-N 0 0 400.721 3.645 50 5 HHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 ZINC000012619883 568872516 /nfs/dbraw/zinc/87/25/16/568872516.db2.gz NUAJXXBTVYPPMJ-INIZCTEOSA-N 0 0 420.347 3.880 50 5 HHBARN COc1ccccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000001234968 568877454 /nfs/dbraw/zinc/87/74/54/568877454.db2.gz VIJLRNWHOWVZBI-UHFFFAOYSA-N 0 0 402.362 3.635 50 5 HHBARN O=C(CCC(=O)c1ccc(Cl)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003321106 568880454 /nfs/dbraw/zinc/88/04/54/568880454.db2.gz QGBWPMWWYXFGML-UHFFFAOYSA-N 0 0 405.790 3.821 50 5 HHBARN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000003361948 568888344 /nfs/dbraw/zinc/88/83/44/568888344.db2.gz LJGSRCBRWQFPSV-UHFFFAOYSA-N 0 0 418.405 3.930 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(C(F)(F)F)c1 ZINC000003385984 568893361 /nfs/dbraw/zinc/89/33/61/568893361.db2.gz OIRPCXMPBGOICT-JTQLQIEISA-N 0 0 412.320 3.806 50 5 HHBARN CC(C)(C)OC(=O)N1CCC(N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000058173946 568896476 /nfs/dbraw/zinc/89/64/76/568896476.db2.gz RLHJLBFBWQCDKZ-UHFFFAOYSA-N 0 0 403.479 3.528 50 5 HHBARN COc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000003442494 568904112 /nfs/dbraw/zinc/90/41/12/568904112.db2.gz YCSSRSAPKLPFTC-UHFFFAOYSA-N 0 0 420.421 3.666 50 5 HHBARN Cc1c(NC(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)cccc1[N+](=O)[O-] ZINC000003482148 568908517 /nfs/dbraw/zinc/90/85/17/568908517.db2.gz WESUPZUWJSTCRX-UHFFFAOYSA-N 0 0 405.410 3.736 50 5 HHBARN COc1ccc(OC)c([C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2cnn(C)c2)c1 ZINC000058378405 568914768 /nfs/dbraw/zinc/91/47/68/568914768.db2.gz JYIKLHLITZFABB-AWEZNQCLSA-N 0 0 410.430 3.754 50 5 HHBARN O=[N+]([O-])c1cccnc1Sc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000001393329 568925012 /nfs/dbraw/zinc/92/50/12/568925012.db2.gz JBQMFJIDMKIKPG-UHFFFAOYSA-N 0 0 402.745 3.789 50 5 HHBARN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000031382326 568925210 /nfs/dbraw/zinc/92/52/10/568925210.db2.gz JZDNPAIUWFNQQV-KRWDZBQOSA-N 0 0 417.465 3.661 50 5 HHBARN Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3ccccc3c(=O)oc12 ZINC000004073688 568937963 /nfs/dbraw/zinc/93/79/63/568937963.db2.gz HZWVSGUDWHUFOI-GKVSMKOHSA-N 0 0 421.493 3.787 50 5 biogenic HHBARN CC(C)C(=O)Nc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012750366 568940126 /nfs/dbraw/zinc/94/01/26/568940126.db2.gz ZXIKPCJOMOKCQM-AWEZNQCLSA-N 0 0 401.488 3.986 50 5 HHBARN CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012750361 568940144 /nfs/dbraw/zinc/94/01/44/568940144.db2.gz ZXIKPCJOMOKCQM-CQSZACIVSA-N 0 0 401.488 3.986 50 5 HHBARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000015522011 568944892 /nfs/dbraw/zinc/94/48/92/568944892.db2.gz GAIPCBUELKAFDC-UHFFFAOYSA-N 0 0 418.866 3.572 50 5 HHBARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012763377 568947148 /nfs/dbraw/zinc/94/71/48/568947148.db2.gz HTBUHMKRRAOHHX-KRWDZBQOSA-N 0 0 418.471 3.590 50 5 HHBARN O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000059253204 568947862 /nfs/dbraw/zinc/94/78/62/568947862.db2.gz NGZQIPVIRYCLIO-KRWDZBQOSA-N 0 0 407.348 3.679 50 5 HHBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 ZINC000004177676 568948175 /nfs/dbraw/zinc/94/81/75/568948175.db2.gz QYFCJQGLHVNPTE-MRXNPFEDSA-N 0 0 400.818 3.869 50 5 HHBARN Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C ZINC000012766746 568948816 /nfs/dbraw/zinc/94/88/16/568948816.db2.gz ZHVRFJZJYRPRMT-QGZVFWFLSA-N 0 0 410.474 3.501 50 5 HHBARN CCOC(=O)/C(=C/c1ccc(NC)c([N+](=O)[O-])c1)c1nccn1Cc1ccccc1 ZINC000059421265 568953370 /nfs/dbraw/zinc/95/33/70/568953370.db2.gz JVDZGRSWPCBSNE-QGOAFFKASA-N 0 0 406.442 3.985 50 5 HHBARN COc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000012777684 568955850 /nfs/dbraw/zinc/95/58/50/568955850.db2.gz PFNGIJPAZPHDFX-CQSZACIVSA-N 0 0 410.430 3.806 50 5 HHBARN COc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1OC(C)C ZINC000008146359 568977254 /nfs/dbraw/zinc/97/72/54/568977254.db2.gz GUFIJPPFHLEAOJ-UHFFFAOYSA-N 0 0 407.854 3.886 50 5 HHBARN O=C1NC(=S)SC1=Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000015746227 568986501 /nfs/dbraw/zinc/98/65/01/568986501.db2.gz VGHZHVJSUJMLRU-ZROIWOOFSA-N 0 0 422.465 3.692 50 5 HHBARN O=C(CS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 ZINC000001454870 568987139 /nfs/dbraw/zinc/98/71/39/568987139.db2.gz NOMWGIYGRJAMDL-UHFFFAOYSA-N 0 0 420.390 3.619 50 5 HHBARN Cc1ccc(-c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)[nH]2)cc1 ZINC000016081972 569028609 /nfs/dbraw/zinc/02/86/09/569028609.db2.gz SEEBMYSFJZGGEL-UHFFFAOYSA-N 0 0 410.503 3.604 50 5 HHBARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000016225423 569029943 /nfs/dbraw/zinc/02/99/43/569029943.db2.gz NMESEOKLLVWDIZ-NVNXTCNLSA-N 0 0 419.846 3.974 50 5 HHBARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000026564822 569033043 /nfs/dbraw/zinc/03/30/43/569033043.db2.gz LLJOJBSFQDDQHW-UHFFFAOYSA-N 0 0 400.318 3.517 50 5 HHBARN Cc1cccc(C(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000012971482 569041265 /nfs/dbraw/zinc/04/12/65/569041265.db2.gz WPUDKWMEZGLNIB-UHFFFAOYSA-N 0 0 403.438 3.655 50 5 HHBARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000012984670 569047686 /nfs/dbraw/zinc/04/76/86/569047686.db2.gz IOKBZCKWBXQMCY-GOSISDBHSA-N 0 0 417.531 3.757 50 5 HHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000001764379 569052132 /nfs/dbraw/zinc/05/21/32/569052132.db2.gz VKMMXBNPZGLPQY-UHFFFAOYSA-N 0 0 407.407 3.973 50 5 HHBARN CCc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001807617 569053550 /nfs/dbraw/zinc/05/35/50/569053550.db2.gz ITUAUZJKJBLDKB-UHFFFAOYSA-N 0 0 409.442 3.952 50 5 HHBARN CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000089361466 569058622 /nfs/dbraw/zinc/05/86/22/569058622.db2.gz JCUPEWJVDCMZPQ-UHFFFAOYSA-N 0 0 402.394 3.618 50 5 HHBARN COc1ccc(OC)c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000006581195 569067561 /nfs/dbraw/zinc/06/75/61/569067561.db2.gz MJVMXWMGSLJEDO-UHFFFAOYSA-N 0 0 421.475 3.530 50 5 HHBARN COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1[N+](=O)[O-] ZINC000002058376 569072166 /nfs/dbraw/zinc/07/21/66/569072166.db2.gz XKQLKAYLZPLPNQ-MLPAPPSSSA-N 0 0 403.734 3.510 50 5 HHBARN Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006639237 569077681 /nfs/dbraw/zinc/07/76/81/569077681.db2.gz FXXKQVQJFIIDGM-AWEZNQCLSA-N 0 0 418.881 3.763 50 5 HHBARN CC(C)(C)SCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006788403 569122496 /nfs/dbraw/zinc/12/24/96/569122496.db2.gz ZCNCAQPOOBJCJW-UHFFFAOYSA-N 0 0 408.501 3.898 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000170596308 569241892 /nfs/dbraw/zinc/24/18/92/569241892.db2.gz VLILMZOPXHBEPZ-HNNXBMFYSA-N 0 0 422.416 3.773 50 5 HHBARN O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCN(Cc2ccccc2)CC1 ZINC000013574189 569256171 /nfs/dbraw/zinc/25/61/71/569256171.db2.gz QSPRHSDHPFJWQU-UHFFFAOYSA-N 0 0 401.513 3.602 50 5 HHBARN Cc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1[N+](=O)[O-] ZINC000017206612 569276553 /nfs/dbraw/zinc/27/65/53/569276553.db2.gz LDAMQWWVDZRMRT-ODLFYWEKSA-N 0 0 403.419 3.934 50 5 HHBARN Cc1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)ccc1[N+](=O)[O-] ZINC000015011833 569291475 /nfs/dbraw/zinc/29/14/75/569291475.db2.gz XUCZTDFHBKBJQS-ODLFYWEKSA-N 0 0 403.419 3.934 50 5 HHBARN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002162681 569291884 /nfs/dbraw/zinc/29/18/84/569291884.db2.gz HENSUAPRGGXFCG-UHFFFAOYSA-N 0 0 416.264 3.758 50 5 HHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1SCCOc1ccccc1 ZINC000007652707 569298999 /nfs/dbraw/zinc/29/89/99/569298999.db2.gz WOAIMEOADCYGRS-UHFFFAOYSA-N 0 0 408.501 3.550 50 5 HHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc2ccccc2nc1Br ZINC000240934429 569300432 /nfs/dbraw/zinc/30/04/32/569300432.db2.gz JCABJFRLAOZYGU-UHFFFAOYSA-N 0 0 402.204 3.923 50 5 HHBARN Cc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 ZINC000002249761 569324511 /nfs/dbraw/zinc/32/45/11/569324511.db2.gz IAKGKTFLVDJOCX-KRWDZBQOSA-N 0 0 411.465 3.771 50 5 HHBARN Cc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c(=O)n1C[C@H]1CCCO1 ZINC000002249760 569324541 /nfs/dbraw/zinc/32/45/41/569324541.db2.gz IAKGKTFLVDJOCX-QGZVFWFLSA-N 0 0 411.465 3.771 50 5 HHBARN Cc1ccc(NC2=N[C@@H](c3cc([N+](=O)[O-])ccc3Cl)n3c(=O)cc(C)nc3N2)cc1 ZINC000002325808 569375063 /nfs/dbraw/zinc/37/50/63/569375063.db2.gz ZNFXKQANUFAEEG-GOSISDBHSA-N 0 0 424.848 3.671 50 5 HHBARN COCCCn1c(=O)c2c(=O)c3ccc(OC)cc3oc2nc1-c1ccc(C)cc1 ZINC000002338185 569376119 /nfs/dbraw/zinc/37/61/19/569376119.db2.gz IHRPEUJFQAENHU-UHFFFAOYSA-N 0 0 406.438 3.523 50 5 HHBARN CCN1C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)NC1=S ZINC000009295988 569392124 /nfs/dbraw/zinc/39/21/24/569392124.db2.gz CDIWVJLLCWGESU-YBEGLDIGSA-N 0 0 417.874 3.905 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 ZINC000012462457 569401391 /nfs/dbraw/zinc/40/13/91/569401391.db2.gz JSWDFTRDLPNICR-YBFXNURJSA-N 0 0 403.419 3.934 50 5 HHBARN Cc1c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cccc1[N+](=O)[O-] ZINC000012797483 569403671 /nfs/dbraw/zinc/40/36/71/569403671.db2.gz CVMVMTUOTNPIAD-UHFFFAOYSA-N 0 0 412.471 3.651 50 5 HHBARN COc1ccc(CN(C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000012807497 569403716 /nfs/dbraw/zinc/40/37/16/569403716.db2.gz OXHYZZWBCYIQMI-UHFFFAOYSA-N 0 0 412.471 3.797 50 5 HHBARN O=C(CSCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000012858028 569404111 /nfs/dbraw/zinc/40/41/11/569404111.db2.gz DFVGNFMAUUAMBT-UHFFFAOYSA-N 0 0 424.276 3.668 50 5 HHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C ZINC000012985647 569405841 /nfs/dbraw/zinc/40/58/41/569405841.db2.gz BQGWZOFDXQNGLG-KRWDZBQOSA-N 0 0 418.471 3.509 50 5 HHBARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012999102 569406260 /nfs/dbraw/zinc/40/62/60/569406260.db2.gz AKOLLQKZFPMPEC-UHFFFAOYSA-N 0 0 418.247 3.636 50 5 HHBARN Cc1ccc(SCCOc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000013134426 569409649 /nfs/dbraw/zinc/40/96/49/569409649.db2.gz HDKNNPMLEGLLRB-UHFFFAOYSA-N 0 0 422.528 3.859 50 5 HHBARN Cc1cc(=O)c(C(=O)N[C@@H](c2cccs2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000019312202 569415825 /nfs/dbraw/zinc/41/58/25/569415825.db2.gz RIMPIDWOFFFDOY-GOSISDBHSA-N 0 0 412.471 3.638 50 5 HHBARN Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000079046642 569425357 /nfs/dbraw/zinc/42/53/57/569425357.db2.gz XGWXNVQVSAOZKP-CYBMUJFWSA-N 0 0 400.460 3.666 50 5 HHBARN Cc1ccc(Cn2c(CNC(=O)Cc3cccc([N+](=O)[O-])c3)nc3cccnc32)cc1 ZINC000008600531 571089865 /nfs/dbraw/zinc/08/98/65/571089865.db2.gz CKVIAODYOBREMB-UHFFFAOYSA-N 0 0 415.453 3.555 50 5 HHBARN CCn1c2ccc(C(=O)OC)cc2s/c1=N/C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000008654187 571098557 /nfs/dbraw/zinc/09/85/57/571098557.db2.gz MCAFLBHDBQEHMN-CZIZESTLSA-N 0 0 419.846 3.812 50 5 HHBARN COc1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c([N+](=O)[O-])c1 ZINC000008878825 571130738 /nfs/dbraw/zinc/13/07/38/571130738.db2.gz YAHKSJIDAYACCX-UHFFFAOYSA-N 0 0 418.361 3.623 50 5 HHBARN O=C(NCCOc1cccc(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040113463 571171361 /nfs/dbraw/zinc/17/13/61/571171361.db2.gz QPJYMBMFLRQSIY-UHFFFAOYSA-N 0 0 403.866 3.660 50 5 HHBARN Cc1cccc(C)c1OCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040113688 571171518 /nfs/dbraw/zinc/17/15/18/571171518.db2.gz LGBGFJRRKKFONL-UHFFFAOYSA-N 0 0 400.478 3.967 50 5 HHBARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1F ZINC000040113951 571171826 /nfs/dbraw/zinc/17/18/26/571171826.db2.gz YJWLRHMCRCGPHU-UHFFFAOYSA-N 0 0 413.449 3.519 50 5 HHBARN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000040153037 571200518 /nfs/dbraw/zinc/20/05/18/571200518.db2.gz HZADVHUTHXSAMI-HXUWFJFHSA-N 0 0 416.437 3.819 50 5 HHBARN CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O ZINC000245326369 571224490 /nfs/dbraw/zinc/22/44/90/571224490.db2.gz JPDBFJJDYVWNIZ-AVRDEDQJSA-N 0 0 422.441 3.644 50 5 HHBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCc4ccccn4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343158 571226039 /nfs/dbraw/zinc/22/60/39/571226039.db2.gz GZRBPYLQHOXXEE-OLMNPRSZSA-N 0 0 408.458 3.570 50 5 HHBARN COc1cc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)cc1[N+](=O)[O-] ZINC000009137348 571229831 /nfs/dbraw/zinc/22/98/31/571229831.db2.gz OOHPGMXSNKUWAS-UHFFFAOYSA-N 0 0 414.748 3.639 50 5 HHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000009373081 571252474 /nfs/dbraw/zinc/25/24/74/571252474.db2.gz WDBJCKFGLPYIBB-INIZCTEOSA-N 0 0 420.347 3.880 50 5 HHBARN COc1cc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c(C)cc1[N+](=O)[O-] ZINC000009509925 571264024 /nfs/dbraw/zinc/26/40/24/571264024.db2.gz MIMGKCMKYPFPKZ-UHFFFAOYSA-N 0 0 424.409 3.626 50 5 HHBARN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009666200 571278004 /nfs/dbraw/zinc/27/80/04/571278004.db2.gz YJUNUZBVAGPZDT-UHFFFAOYSA-N 0 0 424.364 3.541 50 5 HHBARN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000009720803 571281676 /nfs/dbraw/zinc/28/16/76/571281676.db2.gz MHVCRISUBMPYIT-RCEBRVLHSA-N 0 0 416.411 3.761 50 5 HHBARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000010045129 571294405 /nfs/dbraw/zinc/29/44/05/571294405.db2.gz UVTJMHMIRBYEJC-UHFFFAOYSA-N 0 0 423.425 3.981 50 5 HHBARN O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010327758 571300532 /nfs/dbraw/zinc/30/05/32/571300532.db2.gz KARGMOKFSWJXHX-UHFFFAOYSA-N 0 0 403.438 3.872 50 5 HHBARN COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(OC(C)=O)c(COC(C)=O)c32)cc1 ZINC000002940814 960477053 /nfs/dbraw/zinc/47/70/53/960477053.db2.gz LMACLBOHFAUHHQ-UHFFFAOYSA-N 0 0 412.398 3.844 50 5 HHBARN COc1cc(OC)c(C2=CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000012769224 962326174 /nfs/dbraw/zinc/32/61/74/962326174.db2.gz ROSOZXHKCLPKMP-BQYQJAHWSA-N 0 0 424.453 3.950 50 5 HHBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000012772528 962326976 /nfs/dbraw/zinc/32/69/76/962326976.db2.gz NPNNAGHHXCSATQ-VQHVLOKHSA-N 0 0 413.861 3.682 50 5 HHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccccc1Br ZINC000033732256 966413192 /nfs/dbraw/zinc/41/31/92/966413192.db2.gz IPQQTMHFOUZVBQ-YFHOEESVSA-N 0 0 405.204 3.552 50 5 HHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225494077 970106607 /nfs/dbraw/zinc/10/66/07/970106607.db2.gz RHJXFEDGASQVJP-GLCJEOIMSA-N 0 0 417.469 3.890 50 5 HHBARN CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000004811258 132289357 /nfs/dbraw/zinc/28/93/57/132289357.db2.gz RGGJOKYKEFGQMP-UHFFFAOYSA-N 0 0 409.273 3.906 50 5 HHBARN Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 ZINC000005103079 132301534 /nfs/dbraw/zinc/30/15/34/132301534.db2.gz JPFDCOVFEOESJL-UHFFFAOYSA-N 0 0 403.866 3.593 50 5 HHBARN C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 ZINC000005164415 132303621 /nfs/dbraw/zinc/30/36/21/132303621.db2.gz YIEDCBDHYHPNLU-MRXNPFEDSA-N 0 0 410.522 3.662 50 5 HHBARN CCOc1ccc2[nH]c3c(ncnc3N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000005249682 132304290 /nfs/dbraw/zinc/30/42/90/132304290.db2.gz DPIAVDJGGCSEOF-UHFFFAOYSA-N 0 0 418.457 3.745 50 5 HHBARN C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(F)c(F)c1 ZINC000011396307 132348056 /nfs/dbraw/zinc/34/80/56/132348056.db2.gz IEXKNSGNYXEVLS-CYBMUJFWSA-N 0 0 418.396 3.904 50 5 HHBARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012564444 132364264 /nfs/dbraw/zinc/36/42/64/132364264.db2.gz WKNOFMCJHMPPMI-UHFFFAOYSA-N 0 0 406.442 3.531 50 5 HHBARN CC(C)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(O)c(C(C)C)c1 ZINC000032817430 519831642 /nfs/dbraw/zinc/83/16/42/519831642.db2.gz FEOUWJMWFJYFRV-UHFFFAOYSA-N 0 0 412.490 3.905 50 5 HHBARN CCOc1ccc(OCC)c(N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000012523311 521171901 /nfs/dbraw/zinc/17/19/01/521171901.db2.gz RLUGTUVLTPCDJV-ZDUSSCGKSA-N 0 0 403.435 3.840 50 5 HHBARN COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000043346240 524587596 /nfs/dbraw/zinc/58/75/96/524587596.db2.gz NUFMZNIQXNHWRF-UHFFFAOYSA-N 0 0 412.446 3.794 50 5 HHBARN Cc1ccccc1-c1noc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000032950511 525021096 /nfs/dbraw/zinc/02/10/96/525021096.db2.gz RBEJGMIGJCLMNY-UHFFFAOYSA-N 0 0 422.441 3.913 50 5 HHBARN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1N1CCCC1=O ZINC000032921645 525241800 /nfs/dbraw/zinc/24/18/00/525241800.db2.gz OYNVCDRCWAWAMP-UHFFFAOYSA-N 0 0 408.458 3.883 50 5 HHBARN NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088209 526901334 /nfs/dbraw/zinc/90/13/34/526901334.db2.gz VWTVJXXDQPINJZ-UHFFFAOYSA-N 0 0 420.397 3.626 50 5 HHBARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000024752579 527063281 /nfs/dbraw/zinc/06/32/81/527063281.db2.gz RYVGYCRZUZNZEI-INIZCTEOSA-N 0 0 417.462 3.537 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531172 527374713 /nfs/dbraw/zinc/37/47/13/527374713.db2.gz OMEUFNLMCNNNDV-NRFANRHFSA-N 0 0 401.422 3.801 50 5 HHBARN COc1ccc(Cn2c(=O)c3c(=O)c4ccccc4oc3nc2-c2ccco2)cc1 ZINC000002228840 557668982 /nfs/dbraw/zinc/66/89/82/557668982.db2.gz LYTTZGMOTPDGKB-UHFFFAOYSA-N 0 0 400.390 3.820 50 5 HHBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccc(F)cc3)nc21 ZINC000002354976 557697601 /nfs/dbraw/zinc/69/76/01/557697601.db2.gz ATRJAQVYBJKZJK-UHFFFAOYSA-N 0 0 401.397 3.696 50 5 HHBARN Cc1cc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000012794348 558467436 /nfs/dbraw/zinc/46/74/36/558467436.db2.gz GGVOLOFFTKZODR-HNNXBMFYSA-N 0 0 411.437 3.860 50 5 HHBARN O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000004414438 558524479 /nfs/dbraw/zinc/52/44/79/558524479.db2.gz DGYKHFZEWGHBME-UHFFFAOYSA-N 0 0 404.275 3.682 50 5 HHBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505535 558616447 /nfs/dbraw/zinc/61/64/47/558616447.db2.gz BSULWPRGUIDSOK-UHFFFAOYSA-N 0 0 400.818 3.888 50 5 HHBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1Cc1ccccc1 ZINC000004515760 558625395 /nfs/dbraw/zinc/62/53/95/558625395.db2.gz DPJPAWWLCVCRRZ-UHFFFAOYSA-N 0 0 414.421 3.534 50 5 HHBARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000027986960 558687512 /nfs/dbraw/zinc/68/75/12/558687512.db2.gz YAAXSMCKKLIGIZ-CHWSQXEVSA-N 0 0 417.849 3.750 50 5 HHBARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004585409 558776139 /nfs/dbraw/zinc/77/61/39/558776139.db2.gz UPIPYCYVNSZFDL-UHFFFAOYSA-N 0 0 400.394 3.855 50 5 HHBARN Cc1cc(=O)oc2cc(NC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc12 ZINC000016347303 558787134 /nfs/dbraw/zinc/78/71/34/558787134.db2.gz BBLCWQSXLCRDAW-UHFFFAOYSA-N 0 0 424.482 3.529 50 5 HHBARN O=c1c2cc3c(ccn(-c4ccccc4Cl)c3=O)nc2ccn1-c1ccccn1 ZINC000038829454 558816264 /nfs/dbraw/zinc/81/62/64/558816264.db2.gz ILRZDCYILSESTA-UHFFFAOYSA-N 0 0 400.825 3.738 50 5 HHBARN O=C(COC(=O)c1cccc(OCc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004596680 558833002 /nfs/dbraw/zinc/83/30/02/558833002.db2.gz MIQIGWZOFYUXIR-UHFFFAOYSA-N 0 0 406.394 3.969 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000013763412 558865420 /nfs/dbraw/zinc/86/54/20/558865420.db2.gz KWIXCEPPKLVGRU-SFQUDFHCSA-N 0 0 422.353 3.506 50 5 HHBARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004663539 558874699 /nfs/dbraw/zinc/87/46/99/558874699.db2.gz MEQNQZLHDHPLNG-UHFFFAOYSA-N 0 0 403.460 3.909 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000004704197 558913419 /nfs/dbraw/zinc/91/34/19/558913419.db2.gz SFGZZGFUQFHTIL-LJQANCHMSA-N 0 0 404.430 3.731 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000004704198 558913521 /nfs/dbraw/zinc/91/35/21/558913521.db2.gz SFGZZGFUQFHTIL-IBGZPJMESA-N 0 0 404.430 3.731 50 5 HHBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)c1 ZINC000023143583 559020937 /nfs/dbraw/zinc/02/09/37/559020937.db2.gz JMMBPZBJQMFPHA-UHFFFAOYSA-N 0 0 424.784 3.624 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000098087016 559065310 /nfs/dbraw/zinc/06/53/10/559065310.db2.gz BEOBFZOORJQYCN-CXUHLZMHSA-N 0 0 415.383 3.748 50 5 HHBARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000023249397 559068218 /nfs/dbraw/zinc/06/82/18/559068218.db2.gz CJUVRNOXKXKDFW-UHFFFAOYSA-N 0 0 412.456 3.720 50 5 HHBARN CC(=O)Oc1cn(-c2ccc3c(c2)OCO3)c2nc(C)n3c4ccccc4nc3c12 ZINC000101228555 559144131 /nfs/dbraw/zinc/14/41/31/559144131.db2.gz CDQRPMKZGFXYTP-UHFFFAOYSA-N 0 0 400.394 3.789 50 5 HHBARN COc1ccc(C2=N/C(=C/c3ccc(OC(F)F)c(OC)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000023844776 559181239 /nfs/dbraw/zinc/18/12/39/559181239.db2.gz OUKMMEIGBAJHRR-KPKJPENVSA-N 0 0 420.324 3.558 50 5 HHBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004865805 559192966 /nfs/dbraw/zinc/19/29/66/559192966.db2.gz JSZGOSAPAXTSNC-UHFFFAOYSA-N 0 0 410.474 3.674 50 5 HHBARN O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004977532 559221830 /nfs/dbraw/zinc/22/18/30/559221830.db2.gz ZMNMHSOYCMFCAB-UHFFFAOYSA-N 0 0 405.140 3.975 50 5 HHBARN O=C(NCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005002862 559226725 /nfs/dbraw/zinc/22/67/25/559226725.db2.gz DEUVRYKCAAVWST-RCCKNPSSSA-N 0 0 401.422 3.682 50 5 HHBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)c1 ZINC000005053303 559237351 /nfs/dbraw/zinc/23/73/51/559237351.db2.gz XRYIXFHSOUNQNE-UHFFFAOYSA-N 0 0 400.370 3.611 50 5 HHBARN CCCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005125615 559247743 /nfs/dbraw/zinc/24/77/43/559247743.db2.gz UFZYSPKQCLFDNH-QGOAFFKASA-N 0 0 401.850 3.935 50 5 HHBARN O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003144750 560589082 /nfs/dbraw/zinc/58/90/82/560589082.db2.gz JIGMRIJWDRYVPI-UHFFFAOYSA-N 0 0 420.381 3.685 50 5 HHBARN Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 ZINC000005508643 560599894 /nfs/dbraw/zinc/59/98/94/560599894.db2.gz YYJDKZWAVVGAPN-UHFFFAOYSA-N 0 0 414.805 3.538 50 5 HHBARN O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CCCCCCC1 ZINC000005659659 560639581 /nfs/dbraw/zinc/63/95/81/560639581.db2.gz RJBGPROYVSCYLP-UHFFFAOYSA-N 0 0 417.506 3.971 50 5 HHBARN COC(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc([N+](=O)[O-])c1 ZINC000024451798 560825865 /nfs/dbraw/zinc/82/58/65/560825865.db2.gz LGMPUGBQFALXQM-UHFFFAOYSA-N 0 0 424.453 3.733 50 5 HHBARN CCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)COCc1ccccc1 ZINC000103194321 560840147 /nfs/dbraw/zinc/84/01/47/560840147.db2.gz QQMXLEQHKSTGPM-UHFFFAOYSA-N 0 0 424.457 3.643 50 5 HHBARN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n(C[C@@H]2CCCO2)c1C ZINC000024513648 560842627 /nfs/dbraw/zinc/84/26/27/560842627.db2.gz VTIKPPRGUFIFDN-KRWDZBQOSA-N 0 0 405.476 3.746 50 5 HHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024537079 560844447 /nfs/dbraw/zinc/84/44/47/560844447.db2.gz PJYFYMYOBYKKLV-UHFFFAOYSA-N 0 0 411.245 3.654 50 5 HHBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005750767 560883482 /nfs/dbraw/zinc/88/34/82/560883482.db2.gz AGMSNGDWUHUONC-KRWDZBQOSA-N 0 0 416.821 3.523 50 5 HHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000046069510 568426555 /nfs/dbraw/zinc/42/65/55/568426555.db2.gz RCORGQXYOLNINH-STQMWFEESA-N 0 0 402.426 3.642 50 5 HHBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cccc(C(F)(F)F)c1 ZINC000014890874 568442897 /nfs/dbraw/zinc/44/28/97/568442897.db2.gz ZTMRNSSHADRDBJ-UHFFFAOYSA-N 0 0 423.347 3.618 50 5 HHBARN Cc1nn(Cc2cccc(C(=O)NCc3c[nH]c4ccccc34)c2)c(C)c1[N+](=O)[O-] ZINC000000653075 568459662 /nfs/dbraw/zinc/45/96/62/568459662.db2.gz UOQZTLPKJGPVAS-UHFFFAOYSA-N 0 0 403.442 3.868 50 5 HHBARN COC(=O)c1c2c(sc1NC(=O)c1nn(C)cc1[N+](=O)[O-])C[C@H](C(C)(C)C)CC2 ZINC000000669151 568460408 /nfs/dbraw/zinc/46/04/08/568460408.db2.gz ADXBSLKLDAUBRG-SNVBAGLBSA-N 0 0 420.491 3.580 50 5 HHBARN Cc1ccccc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000710932 568464654 /nfs/dbraw/zinc/46/46/54/568464654.db2.gz ZOJNEWCFSFVAPB-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000024960941 568501167 /nfs/dbraw/zinc/50/11/67/568501167.db2.gz ZLRBBGMJDYWNHG-MRXNPFEDSA-N 0 0 417.849 3.809 50 5 HHBARN O=C(Nc1ccc(CN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000020064177 568586711 /nfs/dbraw/zinc/58/67/11/568586711.db2.gz LJTMABKMIPFULI-UHFFFAOYSA-N 0 0 409.486 3.878 50 5 HHBARN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000095443809 568611149 /nfs/dbraw/zinc/61/11/49/568611149.db2.gz HCPDSAZMJIJXTP-GOSISDBHSA-N 0 0 424.906 3.518 50 5 HHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(F)cc2)NC(=S)N1C ZINC000021186886 568677829 /nfs/dbraw/zinc/67/78/29/568677829.db2.gz ZYDRPNWPGVPQKE-KRWDZBQOSA-N 0 0 400.435 3.508 50 5 HHBARN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)n[nH]1 ZINC000096004263 568682076 /nfs/dbraw/zinc/68/20/76/568682076.db2.gz TYNYMCNXEOVMND-UHFFFAOYSA-N 0 0 413.437 3.939 50 5 HHBARN O=[N+]([O-])c1ccc(N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000096011402 568683948 /nfs/dbraw/zinc/68/39/48/568683948.db2.gz POLCVAMYKGJKKR-CQSZACIVSA-N 0 0 408.296 3.841 50 5 HHBARN COc1ccc(Br)cc1CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000096100777 568690700 /nfs/dbraw/zinc/69/07/00/568690700.db2.gz UISMUIOFJGQYEF-UHFFFAOYSA-N 0 0 420.307 3.684 50 5 HHBARN COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000866307 568723671 /nfs/dbraw/zinc/72/36/71/568723671.db2.gz VEBMVTHBZIXCEC-UHFFFAOYSA-N 0 0 400.456 3.984 50 5 HHBARN COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000000943833 568752888 /nfs/dbraw/zinc/75/28/88/568752888.db2.gz WAQXGTAIAQYBKK-LLVKDONJSA-N 0 0 404.444 3.585 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccccc1OC(F)(F)F ZINC000025240656 568760694 /nfs/dbraw/zinc/76/06/94/568760694.db2.gz IUXIZXPGSAJEDV-UHFFFAOYSA-N 0 0 413.352 3.573 50 5 HHBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000025268631 568762046 /nfs/dbraw/zinc/76/20/46/568762046.db2.gz MNYWGNFHJFLMRR-UHFFFAOYSA-N 0 0 422.416 3.828 50 5 HHBARN Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000025274611 568762085 /nfs/dbraw/zinc/76/20/85/568762085.db2.gz SVPCIOWCBSTSSL-UHFFFAOYSA-N 0 0 410.474 3.592 50 5 HHBARN Cn1c(=N)n(CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1ccc(Br)cc1 ZINC000334157637 568763325 /nfs/dbraw/zinc/76/33/25/568763325.db2.gz WXPYFUXNOGGFRF-UHFFFAOYSA-N 0 0 415.247 3.527 50 5 HHBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-] ZINC000001070936 568765270 /nfs/dbraw/zinc/76/52/70/568765270.db2.gz IPVDCYDKOGLNTI-UHFFFAOYSA-N 0 0 411.439 3.782 50 5 HHBARN COC(=O)CSc1cc([N+](=O)[O-])cc(S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000001085878 568768023 /nfs/dbraw/zinc/76/80/23/568768023.db2.gz OPIIMRKVXNXRSJ-UHFFFAOYSA-N 0 0 415.876 3.655 50 5 HHBARN CCOC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000001116009 568770765 /nfs/dbraw/zinc/77/07/65/568770765.db2.gz RSPZQQMGKKCGGT-UHFFFAOYSA-N 0 0 408.204 3.891 50 5 HHBARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 ZINC000002478063 568774194 /nfs/dbraw/zinc/77/41/94/568774194.db2.gz JYYQLROZQSGCPH-INIZCTEOSA-N 0 0 405.391 3.908 50 5 HHBARN CSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 ZINC000001168947 568775444 /nfs/dbraw/zinc/77/54/44/568775444.db2.gz OEPQNMNHXDFSCK-GOSISDBHSA-N 0 0 409.427 3.613 50 5 HHBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000002609912 568785423 /nfs/dbraw/zinc/78/54/23/568785423.db2.gz DTVTZASAWVPWEH-UHFFFAOYSA-N 0 0 420.443 3.670 50 5 HHBARN Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000002647999 568795550 /nfs/dbraw/zinc/79/55/50/568795550.db2.gz VDDYECMDJXRHHF-MRXNPFEDSA-N 0 0 409.471 3.682 50 5 HHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000002762342 568807124 /nfs/dbraw/zinc/80/71/24/568807124.db2.gz JGVGHUJLQMRQBD-UHFFFAOYSA-N 0 0 419.210 3.994 50 5 HHBARN Cc1nn([C@@H](C)C(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] ZINC000002786314 568808523 /nfs/dbraw/zinc/80/85/23/568808523.db2.gz RFOOHZJRYZFJBO-JTQLQIEISA-N 0 0 404.224 3.610 50 5 HHBARN CCN(CC)C(=O)c1sc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2c1C ZINC000002793447 568810340 /nfs/dbraw/zinc/81/03/40/568810340.db2.gz ITRHIDCCFBGVFR-UHFFFAOYSA-N 0 0 410.459 3.705 50 5 HHBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000001174859 568818923 /nfs/dbraw/zinc/81/89/23/568818923.db2.gz IUEBFKYYKRVJCB-UHFFFAOYSA-N 0 0 406.354 3.922 50 5 HHBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1I ZINC000001185061 568821902 /nfs/dbraw/zinc/82/19/02/568821902.db2.gz XOCLUNHWUFHJBH-UHFFFAOYSA-N 0 0 416.146 3.599 50 5 HHBARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001218611 568824897 /nfs/dbraw/zinc/82/48/97/568824897.db2.gz GUEXVLXKTXWQQL-QGZVFWFLSA-N 0 0 400.822 3.823 50 5 HHBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000226983776 568825858 /nfs/dbraw/zinc/82/58/58/568825858.db2.gz LGWZTUBTNDZURN-PCCBWWKXSA-N 0 0 415.405 3.646 50 5 HHBARN CCOc1ccc2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)nc2c1 ZINC000002951657 568829222 /nfs/dbraw/zinc/82/92/22/568829222.db2.gz VJOINQQLRMJTMQ-UHFFFAOYSA-N 0 0 411.395 3.962 50 5 HHBARN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000002976779 568832598 /nfs/dbraw/zinc/83/25/98/568832598.db2.gz CFFHDBCFBZQRQG-LJQANCHMSA-N 0 0 414.458 3.917 50 5 HHBARN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000005981397 568834241 /nfs/dbraw/zinc/83/42/41/568834241.db2.gz RTWRAHQSFNJXIP-UHFFFAOYSA-N 0 0 404.806 3.701 50 5 HHBARN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000003007415 568837435 /nfs/dbraw/zinc/83/74/35/568837435.db2.gz QPUKGMXWNIDTKZ-UHFFFAOYSA-N 0 0 412.471 3.962 50 5 HHBARN 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Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000013366535 569412256 /nfs/dbraw/zinc/41/22/56/569412256.db2.gz SFHOAMYVTCNHRB-UHFFFAOYSA-N 0 0 401.398 3.959 50 5 HHBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC ZINC000019358147 569420197 /nfs/dbraw/zinc/42/01/97/569420197.db2.gz HGTZDALKTCRDQY-UHFFFAOYSA-N 0 0 410.810 3.925 50 5 HHBARN COc1ccccc1-n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000038829165 571084189 /nfs/dbraw/zinc/08/41/89/571084189.db2.gz QIKGOXDZFIUNKP-UHFFFAOYSA-N 0 0 423.472 3.952 50 5 HHBARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000008767295 571116066 /nfs/dbraw/zinc/11/60/66/571116066.db2.gz AXIIBQKSUSBZNW-INIZCTEOSA-N 0 0 420.853 3.819 50 5 HHBARN Cc1c(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] ZINC000068835040 571135162 /nfs/dbraw/zinc/13/51/62/571135162.db2.gz AKTQVLGOPYQGJS-UHFFFAOYSA-N 0 0 422.407 3.683 50 5 HHBARN CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000040082089 571156318 /nfs/dbraw/zinc/15/63/18/571156318.db2.gz TWQMNBGUUCVDRK-UHFFFAOYSA-N 0 0 400.412 3.835 50 5 HHBARN O=C(NCc1cccnc1OC1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040089463 571159510 /nfs/dbraw/zinc/15/95/10/571159510.db2.gz ZKRHTOFDGABIBY-UHFFFAOYSA-N 0 0 424.501 3.844 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154694 571202006 /nfs/dbraw/zinc/20/20/06/571202006.db2.gz OWCHBYNTAGFZKE-YJYMSZOUSA-N 0 0 419.865 3.657 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000040154734 571202178 /nfs/dbraw/zinc/20/21/78/571202178.db2.gz UOQPJBPLULYTRM-LJQANCHMSA-N 0 0 419.865 3.659 50 5 HHBARN Cc1ccc(C(C)C)cc1OCC(=O)NCCc1nc2cc([N+](=O)[O-])ccc2n1C ZINC000008995342 571208431 /nfs/dbraw/zinc/20/84/31/571208431.db2.gz ZQQFTOFYODYDDT-UHFFFAOYSA-N 0 0 410.474 3.651 50 5 HHBARN CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000245241713 571220574 /nfs/dbraw/zinc/22/05/74/571220574.db2.gz NOMVSDQTOAIXOV-KZNAEPCWSA-N 0 0 415.833 3.503 50 5 HHBARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000009109237 571221993 /nfs/dbraw/zinc/22/19/93/571221993.db2.gz YCLQLQXESPUYGX-GOSISDBHSA-N 0 0 421.340 3.887 50 5 HHBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 ZINC000009159129 571232118 /nfs/dbraw/zinc/23/21/18/571232118.db2.gz PJLNHFOMLFKWEG-DNVCBOLYSA-N 0 0 424.384 3.565 50 5 HHBARN Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Br)c1 ZINC000009220389 571238263 /nfs/dbraw/zinc/23/82/63/571238263.db2.gz WCNIKNNUPAMDAB-UHFFFAOYSA-N 0 0 420.263 3.755 50 5 HHBARN COc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] ZINC000009426118 571257784 /nfs/dbraw/zinc/25/77/84/571257784.db2.gz ODTXYYQCWWXXND-UHFFFAOYSA-N 0 0 404.382 3.737 50 5 HHBARN Cc1nn(-c2ccc(Br)cc2)c2nc(C)n3c4ccccc4nc3c2c1=O ZINC000009433915 571258584 /nfs/dbraw/zinc/25/85/84/571258584.db2.gz WLYPVAMVIREIEX-UHFFFAOYSA-N 0 0 420.270 3.961 50 5 HHBARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000009714223 571281474 /nfs/dbraw/zinc/28/14/74/571281474.db2.gz HWUPCVHYPNMWGT-UHFFFAOYSA-N 0 0 421.841 3.914 50 5 HHBARN O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000010222428 571297253 /nfs/dbraw/zinc/29/72/53/571297253.db2.gz KMCSQQXSANENOF-UHFFFAOYSA-N 0 0 415.247 3.516 50 5 HHBARN C[C@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012918129 962346512 /nfs/dbraw/zinc/34/65/12/962346512.db2.gz PVVXUFIXPDEQMU-FBOQAHMBSA-N 0 0 415.789 3.973 50 5 HHBARN O=C(/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)N1CCOCC1 ZINC000033527580 966409364 /nfs/dbraw/zinc/40/93/64/966409364.db2.gz GPBNSYMICRHGCC-KAMYIIQDSA-N 0 0 412.833 3.524 50 5 HHBARN O=C1CCCN1c1ccc(C2=N/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000096892220 969054485 /nfs/dbraw/zinc/05/44/85/969054485.db2.gz SWLJQWXGFIGSMR-MHWRWJLKSA-N 0 0 411.801 3.720 50 5 HHBARN CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)c1 ZINC000004688285 132283666 /nfs/dbraw/zinc/28/36/66/132283666.db2.gz OQEDDPKNKSAJMU-UHFFFAOYSA-N 0 0 424.501 3.919 50 5 HHBARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004736786 132286354 /nfs/dbraw/zinc/28/63/54/132286354.db2.gz DMRLFIGUYYCLRM-UHFFFAOYSA-N 0 0 418.453 3.670 50 5 HHBARN O=C(c1ccccc1Br)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008816213 132333513 /nfs/dbraw/zinc/33/35/13/132333513.db2.gz FGQGGNONJLCERO-UHFFFAOYSA-N 0 0 424.682 3.973 50 5 HHBARN O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009480696 132340292 /nfs/dbraw/zinc/34/02/92/132340292.db2.gz BOASECKZKZGKRO-UHFFFAOYSA-N 0 0 422.397 3.725 50 5 HHBARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000010541712 132346188 /nfs/dbraw/zinc/34/61/88/132346188.db2.gz DSRNWGKWWVMYJG-UHFFFAOYSA-N 0 0 407.474 3.824 50 5 HHBARN Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012592023 132364765 /nfs/dbraw/zinc/36/47/65/132364765.db2.gz ZGQMBVSYNXAVPL-QGZVFWFLSA-N 0 0 419.485 3.601 50 5 HHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000023142625 132478410 /nfs/dbraw/zinc/47/84/10/132478410.db2.gz JAOXXSMMGSHEGB-KRWDZBQOSA-N 0 0 403.442 3.907 50 5 HHBARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3cccc([N+](=O)[O-])c3C)c(=O)c21 ZINC000020557142 521637543 /nfs/dbraw/zinc/63/75/43/521637543.db2.gz CSOYYVYQZWFXSH-UHFFFAOYSA-N 0 0 419.441 3.617 50 5 HHBARN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)N(C)[C@H]1c1ccc(F)cc1F ZINC000032905328 522867936 /nfs/dbraw/zinc/86/79/36/522867936.db2.gz OHBISOSSZHMNOH-SFHVURJKSA-N 0 0 417.368 3.933 50 5 HHBARN CS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3=O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000032871932 525259877 /nfs/dbraw/zinc/25/98/77/525259877.db2.gz ISUHHNQVBCVVGY-UHFFFAOYSA-N 0 0 409.851 3.522 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1 ZINC000032441740 527376113 /nfs/dbraw/zinc/37/61/13/527376113.db2.gz GXICYCFGSXGRNR-UHFFFAOYSA-N 0 0 412.467 3.790 50 5 HHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000032441991 527406066 /nfs/dbraw/zinc/40/60/66/527406066.db2.gz VZUNIACGGKNEDX-UHFFFAOYSA-N 0 0 412.467 3.790 50 5 HHBARN CCCOc1ccc(-c2nc3cc4c(cc3[nH]2)[n+]([O-])c2ccccc2[n+]4[O-])cc1OC ZINC000005318685 557644635 /nfs/dbraw/zinc/64/46/35/557644635.db2.gz VALNXHNLYJXRFZ-UHFFFAOYSA-N 0 0 416.437 3.601 50 5 HHBARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000004362956 558460547 /nfs/dbraw/zinc/46/05/47/558460547.db2.gz UVOYGTFVDLKPEJ-UHFFFAOYSA-N 0 0 410.455 3.725 50 5 HHBARN Cc1cc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000012794344 558467441 /nfs/dbraw/zinc/46/74/41/558467441.db2.gz GGVOLOFFTKZODR-OAHLLOKOSA-N 0 0 411.437 3.860 50 5 HHBARN COCCn1c2ccccc2nc1SCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004484885 558603613 /nfs/dbraw/zinc/60/36/13/558603613.db2.gz AKADSCCIIFLDSF-UHFFFAOYSA-N 0 0 400.460 3.630 50 5 HHBARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000024752573 558610150 /nfs/dbraw/zinc/61/01/50/558610150.db2.gz RYVGYCRZUZNZEI-MRXNPFEDSA-N 0 0 417.462 3.537 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1[N+](=O)[O-] ZINC000029816460 558721699 /nfs/dbraw/zinc/72/16/99/558721699.db2.gz ZLCQOAZBQSUIDZ-UHFFFAOYSA-N 0 0 410.455 3.875 50 5 HHBARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc21 ZINC000004583557 558773814 /nfs/dbraw/zinc/77/38/14/558773814.db2.gz BGBCRYMRFYPGIJ-UHFFFAOYSA-N 0 0 406.851 3.722 50 5 HHBARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000004585408 558776147 /nfs/dbraw/zinc/77/61/47/558776147.db2.gz AIOAXHYSXQPBJT-UHFFFAOYSA-N 0 0 400.394 3.855 50 5 HHBARN CNC(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000032988464 558808253 /nfs/dbraw/zinc/80/82/53/558808253.db2.gz MUYYPGQQLHHWIY-UHFFFAOYSA-N 0 0 413.377 3.704 50 5 HHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000004695707 558900720 /nfs/dbraw/zinc/90/07/20/558900720.db2.gz CBVQBLMKBZUNQX-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004725837 558930651 /nfs/dbraw/zinc/93/06/51/558930651.db2.gz OTRQQIYZUDERCW-UHFFFAOYSA-N 0 0 415.427 3.884 50 5 HHBARN O=C1[C@@H]2CS[C@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Cl)cc1 ZINC000004727087 558932426 /nfs/dbraw/zinc/93/24/26/558932426.db2.gz RMJNJNUYUHXAPW-GOEBONIOSA-N 0 0 405.888 3.996 50 5 HHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(N2CCOCC2)n1C1CC1 ZINC000023043253 558992824 /nfs/dbraw/zinc/99/28/24/558992824.db2.gz NOARSCHFXXHIIU-UHFFFAOYSA-N 0 0 415.397 3.528 50 5 HHBARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000004757085 559048716 /nfs/dbraw/zinc/04/87/16/559048716.db2.gz FTADBTFDUJDCAC-UHFFFAOYSA-N 0 0 411.439 3.956 50 5 HHBARN O=C1NC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccccc1 ZINC000033333136 559063227 /nfs/dbraw/zinc/06/32/27/559063227.db2.gz YZWHDDMGOCBTOI-PDGQHHTCSA-N 0 0 402.366 3.879 50 5 HHBARN Cc1ccc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000011482102 559078176 /nfs/dbraw/zinc/07/81/76/559078176.db2.gz PZUAIRHSDBZVJA-UHFFFAOYSA-N 0 0 406.822 3.896 50 5 HHBARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nc2c1 ZINC000004830393 559157315 /nfs/dbraw/zinc/15/73/15/559157315.db2.gz NSEXKLHYFJUUBA-UHFFFAOYSA-N 0 0 402.432 3.609 50 5 HHBARN Cc1ccc2c(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000004840264 559167285 /nfs/dbraw/zinc/16/72/85/559167285.db2.gz BKRFNUSUUJNLDQ-UHFFFAOYSA-N 0 0 408.410 3.967 50 5 HHBARN COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c2ccccc12 ZINC000004846137 559169119 /nfs/dbraw/zinc/16/91/19/559169119.db2.gz CDAIDFSCJYESHA-UHFFFAOYSA-N 0 0 405.454 3.739 50 5 HHBARN CCOC(=O)c1c2c(sc1NC(=O)CCCn1nc([N+](=O)[O-])cc1C)CCCC2 ZINC000004873810 559194908 /nfs/dbraw/zinc/19/49/08/559194908.db2.gz AZZZQUCTNBNUAF-UHFFFAOYSA-N 0 0 420.491 3.636 50 5 HHBARN Cc1c(C2=CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c2ccccc2n1C ZINC000004901074 559199633 /nfs/dbraw/zinc/19/96/33/559199633.db2.gz QMLFYPSVESJZCX-UHFFFAOYSA-N 0 0 411.483 3.873 50 5 HHBARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004928821 559207258 /nfs/dbraw/zinc/20/72/58/559207258.db2.gz ZMGKLTZYUDXTAL-IBGZPJMESA-N 0 0 406.398 3.553 50 5 HHBARN O=C(c1ccco1)N1CCN(c2cc(N3CCCCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004998236 559225316 /nfs/dbraw/zinc/22/53/16/559225316.db2.gz SZQHIFSKWOVHPF-UHFFFAOYSA-N 0 0 416.453 3.670 50 5 HHBARN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000005007300 559227659 /nfs/dbraw/zinc/22/76/59/559227659.db2.gz QQUGSGJQJLFTBN-UHFFFAOYSA-N 0 0 413.459 3.532 50 5 HHBARN COc1ccc(CN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 ZINC000024118760 559239522 /nfs/dbraw/zinc/23/95/22/559239522.db2.gz JIUWROOPQYNICV-UHFFFAOYSA-N 0 0 411.483 3.776 50 5 HHBARN O=C(C=Cc1ccccc1)Nn1c(=O)c2ccccc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000005198518 559292131 /nfs/dbraw/zinc/29/21/31/559292131.db2.gz DJDJQDNPNCFEDE-BUHFOSPRSA-N 0 0 412.405 3.755 50 5 aggregator HHBARN Cc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000005199037 559292316 /nfs/dbraw/zinc/29/23/16/559292316.db2.gz FCAFKMXVOPTEPB-UHFFFAOYSA-N 0 0 400.394 3.664 50 5 HHBARN COCc1c2ccccc2oc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005199156 559292356 /nfs/dbraw/zinc/29/23/56/559292356.db2.gz UXNDXAUQDVPAQL-UHFFFAOYSA-N 0 0 409.354 3.894 50 5 HHBARN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000005199307 559292469 /nfs/dbraw/zinc/29/24/69/559292469.db2.gz AHZQVFLNOGCRTF-UHFFFAOYSA-N 0 0 414.421 3.593 50 5 HHBARN Cc1cc(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000078968030 560541095 /nfs/dbraw/zinc/54/10/95/560541095.db2.gz KWKXXLFBLCATQE-QGZVFWFLSA-N 0 0 413.478 3.854 50 5 HHBARN COc1cc(C(=O)OCC(=O)c2cc(C)c(C)c(C)c2C)c([N+](=O)[O-])cc1OC ZINC000005245963 560550400 /nfs/dbraw/zinc/55/04/00/560550400.db2.gz MXUBQCLJJBYVPM-UHFFFAOYSA-N 0 0 401.415 3.885 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O ZINC000005270621 560560885 /nfs/dbraw/zinc/56/08/85/560560885.db2.gz CIYAXYJUDLMYRY-UHFFFAOYSA-N 0 0 413.817 3.719 50 5 HHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 ZINC000005508625 560599946 /nfs/dbraw/zinc/59/99/46/560599946.db2.gz HJLLUOPPBDKALB-XIKOKIGWSA-N 0 0 402.834 3.987 50 5 HHBARN COc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000024356744 560668689 /nfs/dbraw/zinc/66/86/89/560668689.db2.gz UWSZBXXPQFFSMK-UHFFFAOYSA-N 0 0 400.435 3.639 50 5 HHBARN CN(CCOc1ccccc1Cl)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000024390889 560772109 /nfs/dbraw/zinc/77/21/09/560772109.db2.gz WQINIQDKECVWMY-UHFFFAOYSA-N 0 0 403.866 3.999 50 5 HHBARN COc1ccc(Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1OC ZINC000102784861 560827540 /nfs/dbraw/zinc/82/75/40/560827540.db2.gz JDCJZUOWUUAPOF-IYBDPMFKSA-N 0 0 423.425 3.811 50 5 HHBARN COc1cccc(C2=NN(c3ccccc3)C(=O)[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000103037746 560836661 /nfs/dbraw/zinc/83/66/61/560836661.db2.gz NVNADJICCDPBNX-FQEVSTJZSA-N 0 0 415.405 3.853 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000024542728 560844709 /nfs/dbraw/zinc/84/47/09/560844709.db2.gz ZFOUCXVJAOKONS-KRWDZBQOSA-N 0 0 412.442 3.807 50 5 HHBARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000000758114 568472639 /nfs/dbraw/zinc/47/26/39/568472639.db2.gz JSJVXQYMAHWAPS-UHFFFAOYSA-N 0 0 408.197 3.777 50 5 HHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1nnc(N(C)C2CCCCC2)s1 ZINC000020464600 568610191 /nfs/dbraw/zinc/61/01/91/568610191.db2.gz OKQVKBHEMMMGFX-UHFFFAOYSA-N 0 0 406.468 3.868 50 5 HHBARN Cc1nc2cc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)ccc2n1-c1ccccc1 ZINC000095464914 568622781 /nfs/dbraw/zinc/62/27/81/568622781.db2.gz DFQCXQVPLSTZKJ-UHFFFAOYSA-N 0 0 413.437 3.836 50 5 HHBARN O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000020516234 568623643 /nfs/dbraw/zinc/62/36/43/568623643.db2.gz UTRPYNWBQAMVGE-UHFFFAOYSA-N 0 0 406.486 3.915 50 5 HHBARN O=c1nc2c3ccccc3nc(CN3CCCCCC3)n2nc1-c1ccc(F)cc1 ZINC000095469598 568625674 /nfs/dbraw/zinc/62/56/74/568625674.db2.gz DNAGSUYDBISMKU-UHFFFAOYSA-N 0 0 403.461 3.820 50 5 HHBARN COc1ccc(-c2nnc(NCc3ccc(OC(F)F)c(OC)c3[N+](=O)[O-])o2)cc1 ZINC000095943635 568662571 /nfs/dbraw/zinc/66/25/71/568662571.db2.gz CCYJQPBIGXPPFI-UHFFFAOYSA-N 0 0 422.344 3.876 50 5 HHBARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000021104768 568666962 /nfs/dbraw/zinc/66/69/62/568666962.db2.gz OSCPYMXFZNZYBX-FQEVSTJZSA-N 0 0 406.398 3.778 50 5 HHBARN C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 ZINC000021134217 568670256 /nfs/dbraw/zinc/67/02/56/568670256.db2.gz NQSXXGBNVTYTJR-KBPBESRZSA-N 0 0 400.456 3.596 50 5 HHBARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001053230 568765022 /nfs/dbraw/zinc/76/50/22/568765022.db2.gz ZYUDMXQQWPXECF-UHFFFAOYSA-N 0 0 411.439 3.672 50 5 HHBARN Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000001057071 568765085 /nfs/dbraw/zinc/76/50/85/568765085.db2.gz DVRCFOVBAWGOLL-UHFFFAOYSA-N 0 0 416.459 3.553 50 5 HHBARN COc1ccc(C(=O)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] ZINC000001070974 568765266 /nfs/dbraw/zinc/76/52/66/568765266.db2.gz GKKXUNGTIYOBRJ-UHFFFAOYSA-N 0 0 416.146 3.599 50 5 HHBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000001129647 568772882 /nfs/dbraw/zinc/77/28/82/568772882.db2.gz SUHHHOZCDXEAQU-UHFFFAOYSA-N 0 0 414.487 3.721 50 5 HHBARN CSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 ZINC000001169089 568775366 /nfs/dbraw/zinc/77/53/66/568775366.db2.gz HWIVMYFHFOOKLQ-SFHVURJKSA-N 0 0 409.427 3.613 50 5 HHBARN O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002711836 568802117 /nfs/dbraw/zinc/80/21/17/568802117.db2.gz FLQSTOJGVDUXDN-UHFFFAOYSA-N 0 0 411.892 3.542 50 5 HHBARN COc1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)ccc1OC(F)F ZINC000002796378 568809348 /nfs/dbraw/zinc/80/93/48/568809348.db2.gz VBCGESPTZIRXMJ-UHFFFAOYSA-N 0 0 418.356 3.702 50 5 HHBARN COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000002796593 568809638 /nfs/dbraw/zinc/80/96/38/568809638.db2.gz XJNDNTXQGMCQRY-UHFFFAOYSA-N 0 0 410.430 3.726 50 5 HHBARN COc1cccc([C@@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000002796480 568810540 /nfs/dbraw/zinc/81/05/40/568810540.db2.gz ZLINWRQYGJUOBK-CQSZACIVSA-N 0 0 408.458 3.956 50 5 HHBARN Cc1nn(CCCNC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1Br ZINC000002852813 568813019 /nfs/dbraw/zinc/81/30/19/568813019.db2.gz LVHTWRGAFHUOFC-UHFFFAOYSA-N 0 0 412.313 3.547 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000029186831 568822172 /nfs/dbraw/zinc/82/21/72/568822172.db2.gz IMKNOHFWTWEPOZ-ZDUSSCGKSA-N 0 0 414.892 3.772 50 5 HHBARN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005889250 568827928 /nfs/dbraw/zinc/82/79/28/568827928.db2.gz KYYVIHZNPQNCAS-JIEKGTPASA-N 0 0 406.866 3.879 50 5 HHBARN COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1OC ZINC000005895364 568828629 /nfs/dbraw/zinc/82/86/29/568828629.db2.gz SWVSCXHJGIUVCC-UHFFFAOYSA-N 0 0 421.475 3.530 50 5 HHBARN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)C1CC1)CC2 ZINC000002976674 568832497 /nfs/dbraw/zinc/83/24/97/568832497.db2.gz BZHAEOQSJDCIEC-IBGZPJMESA-N 0 0 412.442 3.527 50 5 HHBARN O=C(OCc1cn2cc(Cl)ccc2n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005972096 568833516 /nfs/dbraw/zinc/83/35/16/568833516.db2.gz ZVSFWOJFLIUQMZ-UHFFFAOYSA-N 0 0 400.822 3.853 50 5 HHBARN C[C@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000006038494 568836198 /nfs/dbraw/zinc/83/61/98/568836198.db2.gz DYRHBOUFJKTBLL-INIZCTEOSA-N 0 0 417.506 3.969 50 5 HHBARN CCCCNC(=O)CSc1ccc(C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000003020878 568840173 /nfs/dbraw/zinc/84/01/73/568840173.db2.gz VBRNSOSQIRAVRR-UHFFFAOYSA-N 0 0 417.487 3.864 50 5 HHBARN C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000003020627 568840190 /nfs/dbraw/zinc/84/01/90/568840190.db2.gz LICHCKHXTJITLM-CYBMUJFWSA-N 0 0 422.890 3.953 50 5 HHBARN O=C(NCc1ccccc1)/C(=C/c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003056168 568850412 /nfs/dbraw/zinc/85/04/12/568850412.db2.gz SMZBGMJCXCHJBW-STZFKDTASA-N 0 0 419.412 3.821 50 5 HHBARN CCOC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 ZINC000003065009 568852617 /nfs/dbraw/zinc/85/26/17/568852617.db2.gz VAWMFDLSUTUYOA-UHFFFAOYSA-N 0 0 416.371 3.542 50 5 HHBARN COC[C@@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012550389 568852892 /nfs/dbraw/zinc/85/28/92/568852892.db2.gz AFBDSHDREGUSBY-PXAZEXFGSA-N 0 0 422.279 3.662 50 5 HHBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C(=O)N1c1ccc(O)cc1 ZINC000003195703 568860862 /nfs/dbraw/zinc/86/08/62/568860862.db2.gz XMMXAVXYXCMDDI-UHFFFAOYSA-N 0 0 421.321 3.802 50 5 HHBARN Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000003241439 568866368 /nfs/dbraw/zinc/86/63/68/568866368.db2.gz VXVBFDSWWXTGDQ-UHFFFAOYSA-N 0 0 423.878 3.593 50 5 HHBARN Cc1c(Cl)cc(Cl)c2nc(COC(=O)c3cccc([N+](=O)[O-])c3)cc(=O)n12 ZINC000003244930 568866848 /nfs/dbraw/zinc/86/68/48/568866848.db2.gz WXOMVUKAAFLVIL-UHFFFAOYSA-N 0 0 408.197 3.575 50 5 HHBARN O=C(CN1C(=O)CSC1=Cc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000003268280 568869107 /nfs/dbraw/zinc/86/91/07/568869107.db2.gz GYJLVEXRJPLIFC-DJKKODMXSA-N 0 0 411.464 3.961 50 5 HHBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000003303619 568877144 /nfs/dbraw/zinc/87/71/44/568877144.db2.gz SXRJWCMCRPICKC-UHFFFAOYSA-N 0 0 420.443 3.554 50 5 HHBARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003331551 568882073 /nfs/dbraw/zinc/88/20/73/568882073.db2.gz KXPLRBACKQHHEU-OAHLLOKOSA-N 0 0 422.825 3.706 50 5 HHBARN O=C(Nc1cccnc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000058105622 568885969 /nfs/dbraw/zinc/88/59/69/568885969.db2.gz OZPCLJOXRGRTJM-UHFFFAOYSA-N 0 0 420.429 3.531 50 5 HHBARN COC(=O)c1c(C)c2ccccc2nc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015443328 568886008 /nfs/dbraw/zinc/88/60/08/568886008.db2.gz SGMBIJCRRBBDAG-UHFFFAOYSA-N 0 0 420.469 3.560 50 5 HHBARN Cc1nn(CC(=O)OCc2csc(Nc3ccc(C)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000003367056 568889239 /nfs/dbraw/zinc/88/92/39/568889239.db2.gz WSLUNKZDAICAKD-UHFFFAOYSA-N 0 0 401.448 3.660 50 5 HHBARN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000058162057 568894871 /nfs/dbraw/zinc/89/48/71/568894871.db2.gz GWBSCWGNDMWQFJ-UHFFFAOYSA-N 0 0 401.648 3.771 50 5 HHBARN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)cc1 ZINC000058231017 568903614 /nfs/dbraw/zinc/90/36/14/568903614.db2.gz SYMLDAZCHAFIPN-AWEZNQCLSA-N 0 0 414.491 3.651 50 5 HHBARN COc1ccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000003442622 568904086 /nfs/dbraw/zinc/90/40/86/568904086.db2.gz GTZXHQNGIHMWCI-UHFFFAOYSA-N 0 0 414.336 3.624 50 5 HHBARN O=C(CSc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000003528830 568912623 /nfs/dbraw/zinc/91/26/23/568912623.db2.gz JXGSSQQKXTZQEM-UHFFFAOYSA-N 0 0 400.456 3.666 50 5 HHBARN COc1ccc(OC)c([C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2cnn(C)c2)c1 ZINC000058378406 568914668 /nfs/dbraw/zinc/91/46/68/568914668.db2.gz JYIKLHLITZFABB-CQSZACIVSA-N 0 0 410.430 3.754 50 5 HHBARN CN(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000003626165 568920785 /nfs/dbraw/zinc/92/07/85/568920785.db2.gz ZKKZVKZMOXFBRV-OAQYLSRUSA-N 0 0 411.458 3.950 50 5 HHBARN Cc1nonc1O[C@@H](C)CNc1ccc([N+](=O)[O-])c(NCCOc2ccccc2)c1 ZINC000004181175 568927798 /nfs/dbraw/zinc/92/77/98/568927798.db2.gz GFGMSZZKNPUQTK-AWEZNQCLSA-N 0 0 413.434 3.657 50 5 HHBARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000012750176 568937788 /nfs/dbraw/zinc/93/77/88/568937788.db2.gz BXNGOXDMMSWDKD-OKILXGFUSA-N 0 0 404.492 3.547 50 5 HHBARN COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000001429042 568939554 /nfs/dbraw/zinc/93/95/54/568939554.db2.gz DXGUUPHHMYXNES-UHFFFAOYSA-N 0 0 419.393 3.886 50 5 HHBARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008277479 568987192 /nfs/dbraw/zinc/98/71/92/568987192.db2.gz FFCDKVHIUMGYAM-UHFFFAOYSA-N 0 0 403.454 3.785 50 5 HHBARN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)c1C ZINC000025993582 568987847 /nfs/dbraw/zinc/98/78/47/568987847.db2.gz NRKBYAVMNWQPMW-UHFFFAOYSA-N 0 0 408.414 3.826 50 5 HHBARN Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000008412977 569001502 /nfs/dbraw/zinc/00/15/02/569001502.db2.gz ZFWUPLHINGKLJF-UHFFFAOYSA-N 0 0 413.430 3.502 50 5 HHBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000012918289 569022698 /nfs/dbraw/zinc/02/26/98/569022698.db2.gz XRLUIFBNWSLXCZ-UHFFFAOYSA-N 0 0 412.258 3.784 50 5 HHBARN C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016044830 569028098 /nfs/dbraw/zinc/02/80/98/569028098.db2.gz PTWGNSGHVDNVIM-JTQLQIEISA-N 0 0 418.862 3.614 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nccc(C(F)(F)F)n1 ZINC000026476972 569032039 /nfs/dbraw/zinc/03/20/39/569032039.db2.gz WHPGJDJMLMTEHL-QMMMGPOBSA-N 0 0 402.354 3.532 50 5 HHBARN Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cccc([N+](=O)[O-])c3)c21 ZINC000006275824 569036932 /nfs/dbraw/zinc/03/69/32/569036932.db2.gz ALMWBPZCBDLTKY-UHFFFAOYSA-N 0 0 406.370 3.802 50 5 HHBARN Cc1cc(Sc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])nc2ccccc12 ZINC000006330661 569044149 /nfs/dbraw/zinc/04/41/49/569044149.db2.gz ZPEIKEWJQWHMIE-UHFFFAOYSA-N 0 0 403.485 3.853 50 5 HHBARN CC(C)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000006358967 569045235 /nfs/dbraw/zinc/04/52/35/569045235.db2.gz XKRJBOFLLVOBHZ-GOSISDBHSA-N 0 0 416.499 3.548 50 5 HHBARN CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035894689 569065107 /nfs/dbraw/zinc/06/51/07/569065107.db2.gz LUOXSGLTQMSGSD-FYYLOGMGSA-N 0 0 422.529 3.625 50 5 HHBARN CCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000006552905 569065211 /nfs/dbraw/zinc/06/52/11/569065211.db2.gz NPYRWCIDLCHZIA-UHFFFAOYSA-N 0 0 406.460 3.960 50 5 HHBARN Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000006831807 569148050 /nfs/dbraw/zinc/14/80/50/569148050.db2.gz YVWSEMOLGVPUQU-UHFFFAOYSA-N 0 0 409.446 3.799 50 5 HHBARN O=[N+]([O-])c1ccc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cn2)cc1 ZINC000007372829 569235853 /nfs/dbraw/zinc/23/58/53/569235853.db2.gz YFGSPOJDUXRXBW-UHFFFAOYSA-N 0 0 407.517 3.847 50 5 HHBARN Cc1c(I)c(C)c([N+](=O)[O-])c(C)c1I ZINC000526059749 569239922 /nfs/dbraw/zinc/23/99/22/569239922.db2.gz GEEVXVZHOHKCFU-UHFFFAOYSA-N 0 0 416.984 3.729 50 5 HHBARN CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000170619828 569248190 /nfs/dbraw/zinc/24/81/90/569248190.db2.gz FFJNBVMREWXNDN-UHFFFAOYSA-N 0 0 424.784 3.809 50 5 HHBARN C[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037521931 569303034 /nfs/dbraw/zinc/30/30/34/569303034.db2.gz UIHUFMJSYRSYDI-LLVKDONJSA-N 0 0 408.241 3.779 50 5 HHBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1nc(Br)sc1C1CC1 ZINC000253425570 569368186 /nfs/dbraw/zinc/36/81/86/569368186.db2.gz FGHBEYGFFWPSMR-UHFFFAOYSA-N 0 0 411.281 3.533 50 5 HHBARN COC(=O)c1nn(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1[N+](=O)[O-] ZINC000253432526 569369947 /nfs/dbraw/zinc/36/99/47/569369947.db2.gz KWVQCLYVPMOHSG-UHFFFAOYSA-N 0 0 402.451 3.772 50 5 HHBARN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000018103002 569383678 /nfs/dbraw/zinc/38/36/78/569383678.db2.gz HIJKYGHQGCKLOO-AQTBWJFISA-N 0 0 410.389 3.787 50 5 HHBARN COc1ccc(C(=O)Nc2nnc(CSc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000009095414 569391588 /nfs/dbraw/zinc/39/15/88/569391588.db2.gz LKSCKRBMLMPXHQ-UHFFFAOYSA-N 0 0 402.457 4.000 50 5 HHBARN CCCCSc1nnc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000009290163 569392142 /nfs/dbraw/zinc/39/21/42/569392142.db2.gz FAOUEDTYRCCXRZ-UHFFFAOYSA-N 0 0 424.533 3.946 50 5 HHBARN Cc1ccc2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])ccc4=O)cc3)sc2c1 ZINC000009585558 569393668 /nfs/dbraw/zinc/39/36/68/569393668.db2.gz YMTTXTCIDGRHTA-UHFFFAOYSA-N 0 0 420.450 3.980 50 5 HHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000010060518 569395194 /nfs/dbraw/zinc/39/51/94/569395194.db2.gz UORYTLCNMKAGTG-UHFFFAOYSA-N 0 0 417.377 3.781 50 5 HHBARN Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012971696 569405524 /nfs/dbraw/zinc/40/55/24/569405524.db2.gz BZLCVDWYNYRMGP-SFHVURJKSA-N 0 0 411.458 3.840 50 5 HHBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc([N+](=O)[O-])cn1)CCCC2 ZINC000013080883 569408806 /nfs/dbraw/zinc/40/88/06/569408806.db2.gz XSPZUTVWNLDMFR-UHFFFAOYSA-N 0 0 421.500 3.838 50 5 HHBARN O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000013100524 569409191 /nfs/dbraw/zinc/40/91/91/569409191.db2.gz TUNMRYNNCCBSAT-UHFFFAOYSA-N 0 0 418.711 3.768 50 5 HHBARN O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000019228852 569414533 /nfs/dbraw/zinc/41/45/33/569414533.db2.gz HTFNBXPQEUDLAV-HNNXBMFYSA-N 0 0 402.665 3.811 50 5 HHBARN O=C(Nc1cccc(Cl)c1)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000019799805 569430393 /nfs/dbraw/zinc/43/03/93/569430393.db2.gz IUOQCIANQHJADN-UHFFFAOYSA-N 0 0 418.881 3.635 50 5 HHBARN Cc1nn(CCCC(=O)Nc2c(F)cc(F)cc2Br)c(C)c1[N+](=O)[O-] ZINC000008661236 571099780 /nfs/dbraw/zinc/09/97/80/571099780.db2.gz IQEOBNYKHWMQLQ-UHFFFAOYSA-N 0 0 417.210 3.868 50 5 HHBARN Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000008778784 571118483 /nfs/dbraw/zinc/11/84/83/571118483.db2.gz FQYHQVYQTPVBBD-UHFFFAOYSA-N 0 0 413.846 3.832 50 5 HHBARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 ZINC000008837820 571123480 /nfs/dbraw/zinc/12/34/80/571123480.db2.gz DUYBKUVWMWZCHH-AWEZNQCLSA-N 0 0 423.292 3.836 50 5 HHBARN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc2ccccc2c1 ZINC000008843657 571124544 /nfs/dbraw/zinc/12/45/44/571124544.db2.gz ROMQAQUVXVGKFH-UHFFFAOYSA-N 0 0 403.346 3.894 50 5 biogenic HHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccnc1OCC(F)(F)F ZINC000040070183 571151158 /nfs/dbraw/zinc/15/11/58/571151158.db2.gz OAISEMVPUVGQLP-UHFFFAOYSA-N 0 0 403.744 3.857 50 5 HHBARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000040115876 571173431 /nfs/dbraw/zinc/17/34/31/571173431.db2.gz WYTGWAZWQBAHCD-OALUTQOASA-N 0 0 410.861 3.816 50 5 HHBARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000040116407 571173924 /nfs/dbraw/zinc/17/39/24/571173924.db2.gz RVSBVXSAHRWDJP-GOSISDBHSA-N 0 0 424.240 3.748 50 5 HHBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000069056468 571180779 /nfs/dbraw/zinc/18/07/79/571180779.db2.gz KAAACVHVGOQPBV-CQSZACIVSA-N 0 0 422.407 3.763 50 5 HHBARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc([N+](=O)[O-])c1 ZINC000040140771 571192011 /nfs/dbraw/zinc/19/20/11/571192011.db2.gz XDVVSNFEGQLSCE-UHFFFAOYSA-N 0 0 401.366 3.776 50 5 HHBARN Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000040152752 571200278 /nfs/dbraw/zinc/20/02/78/571200278.db2.gz QXAUPGGWHDBAKL-GOSISDBHSA-N 0 0 403.385 3.815 50 5 HHBARN COc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F ZINC000009120028 571225339 /nfs/dbraw/zinc/22/53/39/571225339.db2.gz NMYGYWZFCHOEJF-UHFFFAOYSA-N 0 0 421.312 3.612 50 5 HHBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@H]1CCCO1 ZINC000009328946 571248413 /nfs/dbraw/zinc/24/84/13/571248413.db2.gz IGFABWUETBVGNT-BEFAXECRSA-N 0 0 424.384 3.565 50 5 HHBARN COc1cccc(Oc2ccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cn2)c1 ZINC000069922621 571249878 /nfs/dbraw/zinc/24/98/78/571249878.db2.gz JQMHXWQEVJEOAJ-UHFFFAOYSA-N 0 0 422.441 3.909 50 5 HHBARN Cc1cccc(Cn2cccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2=O)c1 ZINC000009546748 571267700 /nfs/dbraw/zinc/26/77/00/571267700.db2.gz NREOSWXQQGVBAZ-UHFFFAOYSA-N 0 0 420.450 3.975 50 5 HHBARN Cc1cc2nnc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])n2c2ccccc12 ZINC000009670168 571278489 /nfs/dbraw/zinc/27/84/89/571278489.db2.gz BMLZBYQQSPXYGG-UHFFFAOYSA-N 0 0 414.468 3.654 50 5 HHBARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1)OCCO3 ZINC000009979290 571293437 /nfs/dbraw/zinc/29/34/37/571293437.db2.gz HPBJHOYDHGULFS-CQSZACIVSA-N 0 0 423.469 3.977 50 5 HHBARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])o2)cc1 ZINC000010045132 571294426 /nfs/dbraw/zinc/29/44/26/571294426.db2.gz QCFJUSJIJULQEY-UHFFFAOYSA-N 0 0 423.425 3.981 50 5 HHBARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000002999677 571308764 /nfs/dbraw/zinc/30/87/64/571308764.db2.gz OKCZHTYFRWJEPG-UHFFFAOYSA-N 0 0 414.468 3.854 50 5 HHBARN O=C(N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000004957839 960631590 /nfs/dbraw/zinc/63/15/90/960631590.db2.gz RTQRKUVSGBGEMT-LZGZYFLISA-N 0 0 411.502 3.532 50 5 HHBARN COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000001137905 132238597 /nfs/dbraw/zinc/23/85/97/132238597.db2.gz IOAMZRXEBJHGKE-UHFFFAOYSA-N 0 0 409.364 3.585 50 5 HHBARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cccc(C)c4)CC3)ccc2[N+](=O)[O-])n1 ZINC000004333378 132275642 /nfs/dbraw/zinc/27/56/42/132275642.db2.gz ZSIKQRIHPPWZTO-UHFFFAOYSA-N 0 0 419.485 3.668 50 5 HHBARN Cc1cccc(N2CCN(c3ccc(N4C(=O)CCCC4=O)cc3[N+](=O)[O-])CC2)c1C ZINC000004684492 132282820 /nfs/dbraw/zinc/28/28/20/132282820.db2.gz VLYWIBCNCZWBCR-UHFFFAOYSA-N 0 0 422.485 3.582 50 5 HHBARN CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@H]1c1ccccc1 ZINC000005389237 132305600 /nfs/dbraw/zinc/30/56/00/132305600.db2.gz OADANPYOHMPFFJ-GOSISDBHSA-N 0 0 410.426 3.541 50 5 HHBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])C1 ZINC000006248820 132309928 /nfs/dbraw/zinc/30/99/28/132309928.db2.gz PWWRTHPLHIDHCG-QGZVFWFLSA-N 0 0 424.501 3.920 50 5 HHBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008768989 132333253 /nfs/dbraw/zinc/33/32/53/132333253.db2.gz GNAAGUIMYCTKAG-UHFFFAOYSA-N 0 0 418.862 3.947 50 5 HHBARN COC(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc([N+](=O)[O-])c1 ZINC000010899306 132346541 /nfs/dbraw/zinc/34/65/41/132346541.db2.gz GNJORRRXTZEVLV-UHFFFAOYSA-N 0 0 411.458 3.644 50 5 HHBARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012586862 132364495 /nfs/dbraw/zinc/36/44/95/132364495.db2.gz VHNMJUKZCKCXHZ-IYBDPMFKSA-N 0 0 403.479 3.531 50 5 HHBARN COc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000024366180 132483439 /nfs/dbraw/zinc/48/34/39/132483439.db2.gz HIJRVCKSYJMNOX-UHFFFAOYSA-N 0 0 424.379 3.976 50 5 HHBARN COC(=O)c1cc(C)nc(NCCc2ccc(Br)s2)c1[N+](=O)[O-] ZINC000225818500 521826405 /nfs/dbraw/zinc/82/64/05/521826405.db2.gz URUQQAMMKUADSV-UHFFFAOYSA-N 0 0 400.254 3.563 50 5 HHBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732399 524025416 /nfs/dbraw/zinc/02/54/16/524025416.db2.gz ZXABMUGOSSOPLJ-LQNXUBFPSA-N 0 0 417.421 3.564 50 5 HHBARN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032724217 525891549 /nfs/dbraw/zinc/89/15/49/525891549.db2.gz YCRHCLDQPACSEE-OWFXSXJRSA-N 0 0 401.415 3.654 50 5 HHBARN CSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000020181695 526217364 /nfs/dbraw/zinc/21/73/64/526217364.db2.gz BXQFELZEKOQWHH-QGZVFWFLSA-N 0 0 422.470 3.836 50 5 HHBARN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032722396 526632133 /nfs/dbraw/zinc/63/21/33/526632133.db2.gz OWLQRBKQXOISLO-UHFFFAOYSA-N 0 0 412.398 3.637 50 5 HHBARN CCc1sc(-c2nnc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1C ZINC000012606536 535945149 /nfs/dbraw/zinc/94/51/49/535945149.db2.gz FKFZJNWDWWSSHE-UHFFFAOYSA-N 0 0 413.503 3.899 50 5 HHBARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000022906545 557852419 /nfs/dbraw/zinc/85/24/19/557852419.db2.gz QWRYPUNGGNPFDS-QFIPXVFZSA-N 0 0 402.454 3.519 50 5 HHBARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000004405086 558500961 /nfs/dbraw/zinc/50/09/61/558500961.db2.gz FCNQBNSWTMGBEQ-UHFFFAOYSA-N 0 0 401.378 3.956 50 5 HHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000014232236 558640241 /nfs/dbraw/zinc/64/02/41/558640241.db2.gz CSQRURZGOXQUFQ-AWEZNQCLSA-N 0 0 414.483 3.903 50 5 HHBARN O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004546614 558672206 /nfs/dbraw/zinc/67/22/06/558672206.db2.gz APGSSZCGPJKIEI-OAQYLSRUSA-N 0 0 404.422 3.679 50 5 HHBARN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000072295984 558748925 /nfs/dbraw/zinc/74/89/25/558748925.db2.gz QDAOCLNLCBLODQ-MRXNPFEDSA-N 0 0 413.377 3.819 50 5 HHBARN CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000072302491 558755476 /nfs/dbraw/zinc/75/54/76/558755476.db2.gz RTFLAUUSHRIVRE-QZTJIDSGSA-N 0 0 403.504 3.584 50 5 HHBARN CCOc1ccc2nc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)sc2c1 ZINC000004583435 558773201 /nfs/dbraw/zinc/77/32/01/558773201.db2.gz LXOXIFBGJHMOEL-UHFFFAOYSA-N 0 0 412.471 3.566 50 5 HHBARN CC[C@H](c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1)n1cc([N+](=O)[O-])cn1 ZINC000017087901 558816769 /nfs/dbraw/zinc/81/67/69/558816769.db2.gz VUTRZBKQBKTVLA-GFCCVEGCSA-N 0 0 408.447 3.608 50 5 HHBARN Cc1cnc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000072312891 558838178 /nfs/dbraw/zinc/83/81/78/558838178.db2.gz NQZVCWJPJWOXAY-UHFFFAOYSA-N 0 0 401.806 3.907 50 5 HHBARN CCc1cc(N2CCC(N(C)CC(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072313953 558841480 /nfs/dbraw/zinc/84/14/80/558841480.db2.gz AWYQVEKUTZWFRH-UHFFFAOYSA-N 0 0 405.449 3.780 50 5 HHBARN COc1cc(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)c(OC)cc1Cl ZINC000004657255 558868495 /nfs/dbraw/zinc/86/84/95/558868495.db2.gz RUSVJAWDKBEEDC-UHFFFAOYSA-N 0 0 417.249 3.843 50 5 HHBARN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1)c1c(C)[nH][nH]c1=O ZINC000004678329 558881788 /nfs/dbraw/zinc/88/17/88/558881788.db2.gz GZIOCTCBDKSTQE-UHFFFAOYSA-N 0 0 409.402 3.818 50 5 HHBARN O=C1NC(=S)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013894050 558891248 /nfs/dbraw/zinc/89/12/48/558891248.db2.gz YWXOPSPBBBUBRO-LCYFTJDESA-N 0 0 422.465 3.692 50 5 HHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000013961319 559013323 /nfs/dbraw/zinc/01/33/23/559013323.db2.gz HKFJTVPHSGEQIJ-UHFFFAOYSA-N 0 0 417.208 3.947 50 5 HHBARN CC[C@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1sc(C(C)C)cc1C(N)=O ZINC000004750384 559045190 /nfs/dbraw/zinc/04/51/90/559045190.db2.gz JGVUKBHHGXVLSI-AWEZNQCLSA-N 0 0 405.476 3.983 50 5 HHBARN COC(=O)c1c(Cn2cc([N+](=O)[O-])ccc2=O)nc2ccccc2c1-c1ccccc1 ZINC000014110073 559151427 /nfs/dbraw/zinc/15/14/27/559151427.db2.gz XIOWUIYFAPMOMA-UHFFFAOYSA-N 0 0 415.405 3.807 50 5 HHBARN COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 ZINC000004837216 559163656 /nfs/dbraw/zinc/16/36/56/559163656.db2.gz YZWFWCVTKPWILK-QGOAFFKASA-N 0 0 407.382 3.606 50 5 HHBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004880094 559196143 /nfs/dbraw/zinc/19/61/43/559196143.db2.gz DMSQMHDYNOFTJT-PKNBQFBNSA-N 0 0 404.338 3.966 50 5 HHBARN COc1nn(-c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)c(C)c1[N+](=O)[O-] ZINC000004881457 559196545 /nfs/dbraw/zinc/19/65/45/559196545.db2.gz VGNPNVKMYMACAQ-UHFFFAOYSA-N 0 0 409.324 3.582 50 5 HHBARN CCCCc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000005054713 559237333 /nfs/dbraw/zinc/23/73/33/559237333.db2.gz LWERBWJPWCBLRT-UHFFFAOYSA-N 0 0 421.453 3.980 50 5 HHBARN COC(=O)CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000024271106 559281563 /nfs/dbraw/zinc/28/15/63/559281563.db2.gz CRNXTLBZHXQHFI-ZDUSSCGKSA-N 0 0 413.455 3.721 50 5 HHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000004005941 560193130 /nfs/dbraw/zinc/19/31/30/560193130.db2.gz VKXLIGGJNVDIOK-UHFFFAOYSA-N 0 0 423.878 3.675 50 5 in-vitro HHBARN CCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000005345435 560569843 /nfs/dbraw/zinc/56/98/43/560569843.db2.gz ZNKKFEQOQDLYMO-UHFFFAOYSA-N 0 0 404.426 3.624 50 5 HHBARN Cc1ccc(S(=O)(=O)c2c(N)c3nc(Cl)cn3c3nc4ccccc4nc32)cc1 ZINC000001273798 560572780 /nfs/dbraw/zinc/57/27/80/560572780.db2.gz MOJVVIOTCJUING-UHFFFAOYSA-N 0 0 423.885 3.808 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc(Cl)cc3Cl)=NO[C@@H]2C1=O ZINC000101081102 560772371 /nfs/dbraw/zinc/77/23/71/560772371.db2.gz JVJIELLRMWCJEJ-ZBFHGGJFSA-N 0 0 420.208 3.503 50 5 HHBARN COc1cccc(CCNc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])c1 ZINC000102783654 560827421 /nfs/dbraw/zinc/82/74/21/560827421.db2.gz KLTLZOMTTJXTCQ-KDURUIRLSA-N 0 0 421.453 3.714 50 5 HHBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000103561300 560843169 /nfs/dbraw/zinc/84/31/69/560843169.db2.gz JVJIELLRMWCJEJ-GDBMZVCRSA-N 0 0 420.208 3.503 50 5 HHBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000048274466 568435375 /nfs/dbraw/zinc/43/53/75/568435375.db2.gz NXPVEPBDKUXQIU-UHFFFAOYSA-N 0 0 417.425 3.882 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012361391 568509537 /nfs/dbraw/zinc/50/95/37/568509537.db2.gz VTGXYMRGWNBFJP-IBGZPJMESA-N 0 0 417.874 3.844 50 5 HHBARN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 ZINC000020363908 568600458 /nfs/dbraw/zinc/60/04/58/568600458.db2.gz XCXKSUYHVOJHPT-UHFFFAOYSA-N 0 0 407.264 3.769 50 5 HHBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1ccc(I)cc1 ZINC000020388792 568603881 /nfs/dbraw/zinc/60/38/81/568603881.db2.gz HCPXOYQQJAFYTO-UHFFFAOYSA-N 0 0 420.253 3.992 50 5 HHBARN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095465836 568623969 /nfs/dbraw/zinc/62/39/69/568623969.db2.gz RHJHTRLMFQBPTI-DJJJIMSYSA-N 0 0 414.849 3.940 50 5 HHBARN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095465838 568623999 /nfs/dbraw/zinc/62/39/99/568623999.db2.gz RHJHTRLMFQBPTI-ORAYPTAESA-N 0 0 414.849 3.940 50 5 HHBARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH]n2)c(C)c1 ZINC000020531695 568627233 /nfs/dbraw/zinc/62/72/33/568627233.db2.gz HGRNRWGFRZYNAT-UHFFFAOYSA-N 0 0 405.458 3.564 50 5 HHBARN O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccc(Br)cc2)c1Cl ZINC000095642056 568640373 /nfs/dbraw/zinc/64/03/73/568640373.db2.gz KGBWZJPKJXWKGA-UHFFFAOYSA-N 0 0 416.640 3.597 50 5 HHBARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000021104747 568666927 /nfs/dbraw/zinc/66/69/27/568666927.db2.gz XWLCCNKMCQFREZ-HXUWFJFHSA-N 0 0 406.398 3.778 50 5 HHBARN COc1cccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)c1 ZINC000021112434 568668180 /nfs/dbraw/zinc/66/81/80/568668180.db2.gz LIGOROUOZPUFLX-DHZHZOJOSA-N 0 0 415.427 3.871 50 5 HHBARN CN(CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC(F)(F)F ZINC000096013019 568685047 /nfs/dbraw/zinc/68/50/47/568685047.db2.gz FROQUVRMEFFPQN-UHFFFAOYSA-N 0 0 402.295 3.619 50 5 HHBARN CCn1nc(C)cc1C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] ZINC000096013374 568685188 /nfs/dbraw/zinc/68/51/88/568685188.db2.gz PSDGMDWBHGJYIB-OAHLLOKOSA-N 0 0 410.268 3.927 50 5 HHBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC000021481663 568703634 /nfs/dbraw/zinc/70/36/34/568703634.db2.gz ZNXBEPVWXAKSOS-MRXNPFEDSA-N 0 0 423.347 3.588 50 5 HHBARN COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000855154 568712844 /nfs/dbraw/zinc/71/28/44/568712844.db2.gz FGBMFMFAPZBKKT-MRXNPFEDSA-N 0 0 414.892 3.693 50 5 HHBARN O=C(CCc1ccccc1)N1NC(C(F)(F)F)=C[C@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000000866243 568713635 /nfs/dbraw/zinc/71/36/35/568713635.db2.gz JZWIBZQMDOAFBL-SFHVURJKSA-N 0 0 407.348 3.523 50 5 HHBARN CCN1CCN(C(=O)C[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)CC1 ZINC000096276538 568715324 /nfs/dbraw/zinc/71/53/24/568715324.db2.gz MLAWVPBLUARDOL-IBGZPJMESA-N 0 0 424.476 3.901 50 5 HHBARN CCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(OC)cc1 ZINC000096277150 568715941 /nfs/dbraw/zinc/71/59/41/568715941.db2.gz LFOOXXMQTDTUDD-UHFFFAOYSA-N 0 0 410.430 3.748 50 5 HHBARN O=C(Oc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000003123148 568727520 /nfs/dbraw/zinc/72/75/20/568727520.db2.gz WDMQJHNVVMTJLB-UHFFFAOYSA-N 0 0 408.322 3.941 50 5 HHBARN Cn1c(=N)n(CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1cccc(Br)c1 ZINC000334157535 568763369 /nfs/dbraw/zinc/76/33/69/568763369.db2.gz HWGYNBDPXJELIX-UHFFFAOYSA-N 0 0 415.247 3.527 50 5 HHBARN Cn1c2ccc([N+](=O)[O-])cc2nc(-c2ccccc2NC(=O)c2ccccc2)c1=O ZINC000096594183 568763668 /nfs/dbraw/zinc/76/36/68/568763668.db2.gz GWYSKEZHLVZGCO-UHFFFAOYSA-N 0 0 400.394 3.761 50 5 HHBARN O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc2ccccc21 ZINC000001056426 568764461 /nfs/dbraw/zinc/76/44/61/568764461.db2.gz RQULSCORDFWFIS-UHFFFAOYSA-N 0 0 403.394 3.763 50 5 HHBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001051788 568765291 /nfs/dbraw/zinc/76/52/91/568765291.db2.gz LIJXRTANKMRDHA-INIZCTEOSA-N 0 0 405.794 3.699 50 5 HHBARN Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@H](O)c1ccccc1 ZINC000001106042 568770020 /nfs/dbraw/zinc/77/00/20/568770020.db2.gz OPIJHEVWUOHSPT-CQSZACIVSA-N 0 0 410.377 3.975 50 5 HHBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605862 568771527 /nfs/dbraw/zinc/77/15/27/568771527.db2.gz MHAKDCZLQIXORX-UHFFFAOYSA-N 0 0 408.483 3.676 50 5 HHBARN O=C1N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000001137991 568773504 /nfs/dbraw/zinc/77/35/04/568773504.db2.gz YJFBSIPAHAWNBR-XDHOZWIPSA-N 0 0 406.373 3.618 50 5 HHBARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001151289 568774040 /nfs/dbraw/zinc/77/40/40/568774040.db2.gz MIPIEJOYRGIRJV-MRVPVSSYSA-N 0 0 408.197 3.525 50 5 HHBARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000028044847 568778408 /nfs/dbraw/zinc/77/84/08/568778408.db2.gz PQGQTXCJEMEUBU-LLVKDONJSA-N 0 0 423.878 3.636 50 5 HHBARN Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002711627 568802085 /nfs/dbraw/zinc/80/20/85/568802085.db2.gz NKKZGEZRUNCYON-UHFFFAOYSA-N 0 0 405.501 3.505 50 5 HHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 ZINC000002711531 568802184 /nfs/dbraw/zinc/80/21/84/568802184.db2.gz NVFOILSIDQYDOR-UHFFFAOYSA-N 0 0 411.892 3.542 50 5 HHBARN Cc1cc(I)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000001185106 568821861 /nfs/dbraw/zinc/82/18/61/568821861.db2.gz KBPAJUVPKSSVHD-UHFFFAOYSA-N 0 0 412.183 3.525 50 5 HHBARN COc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 ZINC000001185689 568821906 /nfs/dbraw/zinc/82/19/06/568821906.db2.gz ZVHXJQCCWYUEKJ-UHFFFAOYSA-N 0 0 419.484 3.805 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(N(C)CCCNc2ccccc2)c([N+](=O)[O-])c1 ZINC000057265102 568825183 /nfs/dbraw/zinc/82/51/83/568825183.db2.gz SRZHRFQCLCJSIK-UHFFFAOYSA-N 0 0 420.535 3.564 50 5 HHBARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000029820799 568836469 /nfs/dbraw/zinc/83/64/69/568836469.db2.gz RQQUIBXOEKXUOK-KRWDZBQOSA-N 0 0 418.421 3.916 50 5 HHBARN NC(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Cl ZINC000012522434 568842044 /nfs/dbraw/zinc/84/20/44/568842044.db2.gz ITZKSMOUKHSGNU-UHFFFAOYSA-N 0 0 405.841 3.546 50 5 HHBARN Cc1ccc(NN2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1C ZINC000003044963 568847675 /nfs/dbraw/zinc/84/76/75/568847675.db2.gz CTMZOISDERZSJH-UHFFFAOYSA-N 0 0 406.354 3.896 50 5 HHBARN Cc1c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] ZINC000003255715 568848692 /nfs/dbraw/zinc/84/86/92/568848692.db2.gz RNUBKKNAONQMAF-UHFFFAOYSA-N 0 0 417.727 3.766 50 5 HHBARN O=C(Nc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000012605983 568871199 /nfs/dbraw/zinc/87/11/99/568871199.db2.gz CZWQAZXUXFRQCF-UHFFFAOYSA-N 0 0 410.455 3.751 50 5 HHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000001234540 568877481 /nfs/dbraw/zinc/87/74/81/568877481.db2.gz MKIAXSPJADUMFM-UHFFFAOYSA-N 0 0 423.878 3.675 50 5 HHBARN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)c(C)c1 ZINC000058167274 568895405 /nfs/dbraw/zinc/89/54/05/568895405.db2.gz QJSSXTOKKAQICS-AZUAARDMSA-N 0 0 419.503 3.728 50 5 HHBARN Cc1ccc(-c2nc(CCNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cs2)cc1 ZINC000058167679 568895410 /nfs/dbraw/zinc/89/54/10/568895410.db2.gz DGRGYGXUUOVADS-UHFFFAOYSA-N 0 0 417.512 3.856 50 5 HHBARN CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000001313012 568913902 /nfs/dbraw/zinc/91/39/02/568913902.db2.gz VSFJRMLOGUIBII-MKXGPGLRSA-N 0 0 414.259 3.540 50 5 HHBARN Cc1ccc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000001311348 568913904 /nfs/dbraw/zinc/91/39/04/568913904.db2.gz SUHQMYTVABEURS-UHFFFAOYSA-N 0 0 423.175 3.614 50 5 HHBARN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304562 568922634 /nfs/dbraw/zinc/92/26/34/568922634.db2.gz GVFAGNBQNJJYFP-WBVHZDCISA-N 0 0 408.930 3.550 50 5 HHBARN O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000001429772 568939599 /nfs/dbraw/zinc/93/95/99/568939599.db2.gz XXAQKSDMAWPLOT-HNNXBMFYSA-N 0 0 418.327 3.945 50 5 HHBARN Cn1cnnc1Sc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000084169067 568941413 /nfs/dbraw/zinc/94/14/13/568941413.db2.gz YVUVQUMUPVVAJX-ZDUSSCGKSA-N 0 0 417.413 3.581 50 5 HHBARN Cc1cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)ccc1[N+](=O)[O-] ZINC000004090479 568942073 /nfs/dbraw/zinc/94/20/73/568942073.db2.gz CKNFOQJDPBBRIZ-UHFFFAOYSA-N 0 0 424.438 3.875 50 5 HHBARN CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000004105446 568943146 /nfs/dbraw/zinc/94/31/46/568943146.db2.gz PSEUSXNUANPSCY-GOSISDBHSA-N 0 0 401.415 3.582 50 5 HHBARN Cc1[nH]c2c(cccc2Cl)c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000004204963 568951740 /nfs/dbraw/zinc/95/17/40/568951740.db2.gz PWICQRMHFVNIGQ-UHFFFAOYSA-N 0 0 407.879 3.867 50 5 HHBARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000012771250 568951836 /nfs/dbraw/zinc/95/18/36/568951836.db2.gz DVLOZLYPZMTWQZ-NEPJUHHUSA-N 0 0 403.410 3.895 50 5 HHBARN COc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000012782783 568958458 /nfs/dbraw/zinc/95/84/58/568958458.db2.gz UZELXHXFQUUPHE-UHFFFAOYSA-N 0 0 421.360 3.783 50 5 HHBARN CCCn1c(=O)c2ccccc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000008195099 568982059 /nfs/dbraw/zinc/98/20/59/568982059.db2.gz MUAAEQAKXHVCNM-UHFFFAOYSA-N 0 0 413.455 3.874 50 5 HHBARN O=C1NC(=S)SC1=Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000015746265 568986514 /nfs/dbraw/zinc/98/65/14/568986514.db2.gz CAHPKBHTEBUALI-ZSOIEALJSA-N 0 0 422.465 3.692 50 5 HHBARN Cc1ccc(Sc2ccc(C(=O)Nc3ncnc4[nH]cnc43)cc2[N+](=O)[O-])cc1 ZINC000008277236 568987185 /nfs/dbraw/zinc/98/71/85/568987185.db2.gz ZFITYSSZJRILFU-UHFFFAOYSA-N 0 0 406.427 3.973 50 5 HHBARN 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O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000004499333 132277718 /nfs/dbraw/zinc/27/77/18/132277718.db2.gz ZOABYQASQNOWAN-UHFFFAOYSA-N 0 0 412.465 3.687 50 5 HHBARN CCN(CC)c1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000004701877 132283831 /nfs/dbraw/zinc/28/38/31/132283831.db2.gz HCTWHPBJMIDZEA-UHFFFAOYSA-N 0 0 418.444 3.682 50 5 HHBARN O=C(Nc1ccc(Br)cn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004705253 132284237 /nfs/dbraw/zinc/28/42/37/132284237.db2.gz MBEXEXDUFQJQCQ-UHFFFAOYSA-N 0 0 405.252 3.995 50 5 HHBARN Cc1cc(O[C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl ZINC000004842535 132290179 /nfs/dbraw/zinc/29/01/79/132290179.db2.gz GXEFVVCRILUEIR-OAHLLOKOSA-N 0 0 403.866 3.673 50 5 HHBARN CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000009721085 132342920 /nfs/dbraw/zinc/34/29/20/132342920.db2.gz VWWBAKXVBYJVPX-UHFFFAOYSA-N 0 0 423.391 3.975 50 5 HHBARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012642642 132365654 /nfs/dbraw/zinc/36/56/54/132365654.db2.gz DFVBLZDBDNHJML-INIZCTEOSA-N 0 0 417.462 3.537 50 5 HHBARN CCc1nn2c(nc(COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)cc2=O)s1 ZINC000032789092 522708286 /nfs/dbraw/zinc/70/82/86/522708286.db2.gz FGYQNZZVTQWRCH-UHFFFAOYSA-N 0 0 422.466 3.791 50 5 HHBARN O=C(c1ccc(NCCOc2ccc3ccccc3c2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000032808451 526699919 /nfs/dbraw/zinc/69/99/19/526699919.db2.gz GMFZEECMUNIHLP-UHFFFAOYSA-N 0 0 421.453 3.711 50 5 HHBARN O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000032620544 527090460 /nfs/dbraw/zinc/09/04/60/527090460.db2.gz HIJKYGHQGCKLOO-QGOAFFKASA-N 0 0 410.389 3.787 50 5 HHBARN COCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(Cl)cc1 ZINC000002362242 557698179 /nfs/dbraw/zinc/69/81/79/557698179.db2.gz MIJVRDQBAIZHRR-UHFFFAOYSA-N 0 0 409.873 3.605 50 5 HHBARN O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NC[C@@H]1CCCO1 ZINC000004421693 558530294 /nfs/dbraw/zinc/53/02/94/558530294.db2.gz ZDSPXSAWYHYABC-SFHVURJKSA-N 0 0 415.402 3.523 50 5 HHBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004660008 558873374 /nfs/dbraw/zinc/87/33/74/558873374.db2.gz FLOKWTCNMDOTDO-UHFFFAOYSA-N 0 0 403.394 3.710 50 5 HHBARN Cc1cc(=O)[nH]c(Sc2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2)n1 ZINC000013844220 558886028 /nfs/dbraw/zinc/88/60/28/558886028.db2.gz WRPQPMXLQQQBBG-UHFFFAOYSA-N 0 0 406.423 3.646 50 5 HHBARN COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013842818 558886052 /nfs/dbraw/zinc/88/60/52/558886052.db2.gz XNYMOXMIYDKVID-UHFFFAOYSA-N 0 0 405.410 3.786 50 5 HHBARN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000013881380 558889531 /nfs/dbraw/zinc/88/95/31/558889531.db2.gz MHVCRISUBMPYIT-WIWNTQSISA-N 0 0 416.411 3.761 50 5 HHBARN Cc1ccc(C(=O)N(C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000004681008 558893914 /nfs/dbraw/zinc/89/39/14/558893914.db2.gz WJYCJTNFFSSCNF-SFHVURJKSA-N 0 0 400.475 3.713 50 5 HHBARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000004694628 558900853 /nfs/dbraw/zinc/90/08/53/558900853.db2.gz QEIYDFODCBCSAI-LICLKQGHSA-N 0 0 411.439 3.887 50 5 HHBARN Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000033187470 558905583 /nfs/dbraw/zinc/90/55/83/558905583.db2.gz WNWXTKPEZUDCKR-UHFFFAOYSA-N 0 0 421.375 3.520 50 5 HHBARN COC(=O)C1=NOC2(C1)CCN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000097163714 558998261 /nfs/dbraw/zinc/99/82/61/558998261.db2.gz PPYIKHLYCYIPOY-UHFFFAOYSA-N 0 0 421.759 3.555 50 5 HHBARN CCOc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc1[N+](=O)[O-] ZINC000004757886 559048808 /nfs/dbraw/zinc/04/88/08/559048808.db2.gz OJOONNWJKHEXGS-UHFFFAOYSA-N 0 0 411.439 3.979 50 5 HHBARN C[C@H](OC(=O)/C=C\c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000098053316 559057391 /nfs/dbraw/zinc/05/73/91/559057391.db2.gz PBQQRLJRERSLEL-UFVHFEBBSA-N 0 0 418.789 3.561 50 5 HHBARN COc1ccc(C2(CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000004811793 559068667 /nfs/dbraw/zinc/06/86/67/559068667.db2.gz BFDDJLOCCJLSRL-UHFFFAOYSA-N 0 0 414.458 3.862 50 5 HHBARN CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1C ZINC000004821006 559124282 /nfs/dbraw/zinc/12/42/82/559124282.db2.gz PRXBLEMFMAZCQX-IBGZPJMESA-N 0 0 410.430 3.569 50 5 HHBARN Cc1cc2nnc(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])n2c2ccccc12 ZINC000004843454 559171862 /nfs/dbraw/zinc/17/18/62/559171862.db2.gz GZXUIQHJMKXTHG-UHFFFAOYSA-N 0 0 411.418 3.969 50 5 HHBARN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccc(Br)cc1 ZINC000004876006 559195309 /nfs/dbraw/zinc/19/53/09/559195309.db2.gz PRNMCKINOQORQP-UHFFFAOYSA-N 0 0 403.030 3.508 50 5 HHBARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000004879154 559196060 /nfs/dbraw/zinc/19/60/60/559196060.db2.gz SNXDEEVDVVGBMM-IBGZPJMESA-N 0 0 404.430 3.731 50 5 HHBARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cccc([N+](=O)[O-])c1 ZINC000004882532 559197374 /nfs/dbraw/zinc/19/73/74/559197374.db2.gz ZPFHUUOZVBJUGV-UHFFFAOYSA-N 0 0 407.451 3.787 50 5 HHBARN CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 ZINC000004976628 559222069 /nfs/dbraw/zinc/22/20/69/559222069.db2.gz HFILKYCDAXSLFK-LBPRGKRZSA-N 0 0 413.459 3.698 50 5 HHBARN Cc1ccc(C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1[N+](=O)[O-] ZINC000005166311 559281852 /nfs/dbraw/zinc/28/18/52/559281852.db2.gz IHPXJKAQMWMTIF-UHFFFAOYSA-N 0 0 413.484 3.708 50 5 HHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000005181309 559289631 /nfs/dbraw/zinc/28/96/31/559289631.db2.gz VIMYETSFSFEASR-BAQGIRSFSA-N 0 0 412.446 3.706 50 5 HHBARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005198531 559292251 /nfs/dbraw/zinc/29/22/51/559292251.db2.gz KMGRKPGTZSUXKQ-UHFFFAOYSA-N 0 0 400.394 3.664 50 5 HHBARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001908383 560185257 /nfs/dbraw/zinc/18/52/57/560185257.db2.gz AEGMTRFJZYFDRR-SFHVURJKSA-N 0 0 415.833 3.634 50 5 biogenic,in-vitro HHBARN Cc1[nH]c2c(cccc2Cl)c1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003624205 560189060 /nfs/dbraw/zinc/18/90/60/560189060.db2.gz GWIFYTXFVJTXGI-UHFFFAOYSA-N 0 0 402.794 3.919 50 5 biogenic,in-vitro HHBARN O=C(Nc1nc2ccccc2s1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270799 560560906 /nfs/dbraw/zinc/56/09/06/560560906.db2.gz JURTUYLMCUEHGZ-UHFFFAOYSA-N 0 0 406.423 3.667 50 5 HHBARN O=C(CN1C(=O)CSC1=Cc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000003268282 560591094 /nfs/dbraw/zinc/59/10/94/560591094.db2.gz GYJLVEXRJPLIFC-OCKHKDLRSA-N 0 0 411.464 3.961 50 5 HHBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005505022 560598671 /nfs/dbraw/zinc/59/86/71/560598671.db2.gz UFMYVPMWWGHCCZ-QGZVFWFLSA-N 0 0 416.821 3.523 50 5 HHBARN COC(=O)c1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000005559670 560611397 /nfs/dbraw/zinc/61/13/97/560611397.db2.gz UXZVPYZIYQWULY-DOPJRALCSA-N 0 0 421.446 3.542 50 5 HHBARN CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100877315 560761224 /nfs/dbraw/zinc/76/12/24/560761224.db2.gz AFLWFJDIQQOUFY-ZZEZOPTASA-N 0 0 419.846 3.569 50 5 HHBARN C[C@@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000018109192 560775963 /nfs/dbraw/zinc/77/59/63/560775963.db2.gz HZJHBEIORPGBNV-OAHLLOKOSA-N 0 0 411.458 3.847 50 5 HHBARN C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 ZINC000005712008 560832442 /nfs/dbraw/zinc/83/24/42/560832442.db2.gz NXGAKJDJRUCNPG-CYBMUJFWSA-N 0 0 401.394 3.518 50 5 HHBARN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n(C[C@H]2CCCO2)c1C ZINC000024513651 560842671 /nfs/dbraw/zinc/84/26/71/560842671.db2.gz VTIKPPRGUFIFDN-QGZVFWFLSA-N 0 0 405.476 3.746 50 5 HHBARN O=[N+]([O-])c1cnc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)nc1NC1CC1 ZINC000048303268 568436114 /nfs/dbraw/zinc/43/61/14/568436114.db2.gz QVLWUCIOYGTTLQ-UHFFFAOYSA-N 0 0 412.427 3.584 50 5 HHBARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000000647169 568456656 /nfs/dbraw/zinc/45/66/56/568456656.db2.gz MLOBYOSRKRCYOB-UHFFFAOYSA-N 0 0 416.869 3.562 50 5 HHBARN CCN(CC)S(=O)(=O)c1ccc(OCc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000024706961 568457336 /nfs/dbraw/zinc/45/73/36/568457336.db2.gz IEOCLEDMUCDCLI-UHFFFAOYSA-N 0 0 421.500 3.814 50 5 HHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000024764659 568461549 /nfs/dbraw/zinc/46/15/49/568461549.db2.gz OFMMHETZDVNGKV-UHFFFAOYSA-N 0 0 423.856 4.000 50 5 HHBARN O=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000836550 568501683 /nfs/dbraw/zinc/50/16/83/568501683.db2.gz WOGVRNFBNKBAGW-UHFFFAOYSA-N 0 0 418.405 3.816 50 5 HHBARN COc1ccc(C(=O)N(CCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC(C)C)cc1 ZINC000096275896 568714734 /nfs/dbraw/zinc/71/47/34/568714734.db2.gz PCRACSJWSSCVRJ-UHFFFAOYSA-N 0 0 424.457 3.994 50 5 HHBARN COc1ccc(Br)cc1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096297463 568720203 /nfs/dbraw/zinc/72/02/03/568720203.db2.gz ZYKMKDWDCHNWJA-UHFFFAOYSA-N 0 0 420.307 3.684 50 5 HHBARN CC[C@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000025063117 568741511 /nfs/dbraw/zinc/74/15/11/568741511.db2.gz KHFIVESICYFNDK-INIZCTEOSA-N 0 0 421.544 3.955 50 5 HHBARN CCOc1ccc(-c2noc(-c3cccn4c(=O)c5ccccc5nc34)n2)cc1OC ZINC000021730385 568751803 /nfs/dbraw/zinc/75/18/03/568751803.db2.gz AGGWUCYQJRDPOQ-UHFFFAOYSA-N 0 0 414.421 3.972 50 5 HHBARN COc1ccc(-c2noc(-c3cccn4c(=O)c5ccccc5nc34)n2)cc1OC ZINC000021730375 568751993 /nfs/dbraw/zinc/75/19/93/568751993.db2.gz JUYJDTZVRFFNPO-UHFFFAOYSA-N 0 0 400.394 3.582 50 5 HHBARN COc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000021760360 568752006 /nfs/dbraw/zinc/75/20/06/568752006.db2.gz YWRHDLSIYPMYPC-UHFFFAOYSA-N 0 0 418.759 3.513 50 5 HHBARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 ZINC000000979425 568758954 /nfs/dbraw/zinc/75/89/54/568758954.db2.gz YKCAQFZHQZDHEN-YBFXNURJSA-N 0 0 419.418 3.634 50 5 HHBARN CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000000989988 568760901 /nfs/dbraw/zinc/76/09/01/568760901.db2.gz XNWAVXANOAWSEZ-UHFFFAOYSA-N 0 0 403.398 3.980 50 5 HHBARN COc1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000096836646 568764820 /nfs/dbraw/zinc/76/48/20/568764820.db2.gz AOEKQPHMMKDNCF-UHFFFAOYSA-N 0 0 405.882 3.583 50 5 HHBARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001053227 568765101 /nfs/dbraw/zinc/76/51/01/568765101.db2.gz MEMZLFYYQILKKD-UHFFFAOYSA-N 0 0 411.439 3.672 50 5 HHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)c2ccccc2C1=O ZINC000001064943 568766021 /nfs/dbraw/zinc/76/60/21/568766021.db2.gz ISISUAOEJQDIRY-UHFFFAOYSA-N 0 0 419.368 3.588 50 5 HHBARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000001118391 568770737 /nfs/dbraw/zinc/77/07/37/568770737.db2.gz JKTVOHNYGUTRJQ-CQSZACIVSA-N 0 0 401.488 3.995 50 5 HHBARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000001144314 568772570 /nfs/dbraw/zinc/77/25/70/568772570.db2.gz UZBZQMVWKAKBOV-UHFFFAOYSA-N 0 0 404.879 3.975 50 5 HHBARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000001139191 568773730 /nfs/dbraw/zinc/77/37/30/568773730.db2.gz SNPVLGUNUSTUJR-UHFFFAOYSA-N 0 0 421.438 3.865 50 5 HHBARN Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000002796470 568810585 /nfs/dbraw/zinc/81/05/85/568810585.db2.gz AQOVFIALTTZNOQ-UHFFFAOYSA-N 0 0 418.837 3.664 50 5 HHBARN O=[N+]([O-])c1nn(Cc2cccc(-c3nc4c5ccccc5ncn4n3)c2)cc1Cl ZINC000002806374 568811024 /nfs/dbraw/zinc/81/10/24/568811024.db2.gz YVVIAIWIOVOPOA-UHFFFAOYSA-N 0 0 405.805 3.751 50 5 HHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1c(F)cccc1Cl ZINC000002813505 568812270 /nfs/dbraw/zinc/81/22/70/568812270.db2.gz KWXFWFOLSVQADA-UHFFFAOYSA-N 0 0 404.872 3.599 50 5 HHBARN CCOC(=O)c1c(C)c(C)sc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002920388 568816877 /nfs/dbraw/zinc/81/68/77/568816877.db2.gz XRJTVUFCLMSKGX-UHFFFAOYSA-N 0 0 407.473 3.577 50 5 HHBARN O=C(c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1O)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000001170439 568818654 /nfs/dbraw/zinc/81/86/54/568818654.db2.gz FWJVMLVINGZCCY-UHFFFAOYSA-N 0 0 422.780 3.985 50 5 HHBARN COc1cc(C=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001206521 568823549 /nfs/dbraw/zinc/82/35/49/568823549.db2.gz TYGQFUJYVZCZJW-UHFFFAOYSA-N 0 0 413.167 3.600 50 5 HHBARN CC1CCN(C(=O)c2ccc(S(=O)(=O)Cc3cccc(F)c3)c([N+](=O)[O-])c2)CC1 ZINC000003017443 568838723 /nfs/dbraw/zinc/83/87/23/568838723.db2.gz NAEFYYSGQKULFI-UHFFFAOYSA-N 0 0 420.462 3.580 50 5 HHBARN CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012554106 568854947 /nfs/dbraw/zinc/85/49/47/568854947.db2.gz OAWBIJKIIQMAJN-RYUDHWBXSA-N 0 0 409.430 3.815 50 5 HHBARN Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000003220042 568861972 /nfs/dbraw/zinc/86/19/72/568861972.db2.gz LVFRADYSJYIUGG-UHFFFAOYSA-N 0 0 407.220 3.770 50 5 HHBARN 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3.720 50 5 HHBARN CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3nc21 ZINC000008871089 571130228 /nfs/dbraw/zinc/13/02/28/571130228.db2.gz VTEJSNULSABXOV-NSHDSACASA-N 0 0 422.420 3.732 50 5 HHBARN C[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000039608110 571133780 /nfs/dbraw/zinc/13/37/80/571133780.db2.gz NVOOEPOKWZPWRN-VQCYPWCPSA-N 0 0 420.834 3.541 50 5 HHBARN Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000040142513 571193266 /nfs/dbraw/zinc/19/32/66/571193266.db2.gz KQAUNYYCEYORCU-HOTGVXAUSA-N 0 0 413.522 3.711 50 5 HHBARN CC(C)Oc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000008995889 571208923 /nfs/dbraw/zinc/20/89/23/571208923.db2.gz MXVYYTTYLIOKON-UHFFFAOYSA-N 0 0 413.459 3.898 50 5 HHBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NCCc4ccccn4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343157 571226183 /nfs/dbraw/zinc/22/61/83/571226183.db2.gz GZRBPYLQHOXXEE-JLSDUUJJSA-N 0 0 408.458 3.570 50 5 HHBARN Cc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000009166870 571232975 /nfs/dbraw/zinc/23/29/75/571232975.db2.gz FNPAEPZGZQKIMC-QMMMGPOBSA-N 0 0 407.502 3.998 50 5 HHBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C3=O ZINC000009209876 571236868 /nfs/dbraw/zinc/23/68/68/571236868.db2.gz PIAHEMXTGXBBPT-UZLBHIALSA-N 0 0 420.421 3.734 50 5 HHBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O ZINC000009234948 571239982 /nfs/dbraw/zinc/23/99/82/571239982.db2.gz CSULCLKGWAKSDN-UHFFFAOYSA-N 0 0 403.394 3.872 50 5 HHBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 ZINC000009328944 571248360 /nfs/dbraw/zinc/24/83/60/571248360.db2.gz IGFABWUETBVGNT-KXBFYZLASA-N 0 0 424.384 3.565 50 5 HHBARN CCOc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])cc1OCC ZINC000009469070 571261392 /nfs/dbraw/zinc/26/13/92/571261392.db2.gz OVUKSVRGPFPKGE-UHFFFAOYSA-N 0 0 423.491 3.823 50 5 HHBARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000009707723 571280769 /nfs/dbraw/zinc/28/07/69/571280769.db2.gz FUKXCEBVWROAOV-UHFFFAOYSA-N 0 0 417.468 3.764 50 5 HHBARN O=C(c1ccccc1)c1ccc(N2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000071811755 571301955 /nfs/dbraw/zinc/30/19/55/571301955.db2.gz UNXXJZDLQQMBKR-UHFFFAOYSA-N 0 0 402.454 3.543 50 5 HHBARN